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 1w96_1_C DATA FIRST_RESID 14 DATA SEQUENCE MEYEITNYSE RHTELPGHFI GLNTVDKLEE SPLRDFVKSH GGHTVISKIL DATA SEQUENCE IANNGIAAVK EIRSVRKWAY ETFGDDRTVQ FVAMATPEDL EANAEYIRMA DATA SEQUENCE DQYIEVPGGT NNNNYANVDL IVDIAERADV DAVWAGWGHA SENPLLPEKL DATA SEQUENCE SQSKRKVIFI GPPGNAMRSL GDKISSTIVA QSAKVPCIPW SGTGVDTVHV DATA SEQUENCE DEKTGLVSVD DDIYQKGCCT SPEDGLQKAK RIGFPVMIKA SEGGGGKGIR DATA SEQUENCE QVEREEDFIA LYHQAANEIP GSPIFIMKLA GRARHLEVQL LADQYGTNIS DATA SEQUENCE LFGRDCSVQR RHQKIIEEAP VTIAKAETFH EMEKAAVRLG KLVGYVSAGT DATA SEQUENCE VEYLYSHDDG KFYFLELNPR LQVEHPTTEM VSGVNLPAAQ LQIAMGIPMH DATA SEQUENCE RISDIRTLYG MNPHSASEID FEFKTQDATK KQRRPIPKGH CTACRITSED DATA SEQUENCE PNDGFKPSGG TLHELNFRSS SNVWGYFSVG NNGNIHSFSD SQFGHIFAFG DATA SEQUENCE ENRQASRKHM VVALKELSIR GDFRTTVEYL IKLLETE 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.131 176.300 -0.281 0.000 1.140 14 M CA 0.000 55.191 55.300 -0.182 0.000 0.988 14 M CB 0.000 32.444 32.600 -0.259 0.000 1.302 15 E N 0.310 120.296 120.200 -0.356 0.000 2.235 15 E HA 0.726 5.076 4.350 -0.000 0.000 0.265 15 E C -1.894 174.425 176.600 -0.468 0.000 0.940 15 E CA -0.650 55.590 56.400 -0.266 0.000 0.819 15 E CB 2.148 31.787 29.700 -0.102 0.000 1.206 15 E HN 0.591 nan 8.360 nan 0.000 0.409 16 Y N -0.499 119.828 120.300 0.045 0.000 2.638 16 Y HA 0.264 4.814 4.550 0.000 0.000 0.339 16 Y C 0.100 175.975 175.900 -0.042 0.000 1.084 16 Y CA -1.340 56.776 58.100 0.027 0.000 1.068 16 Y CB 1.209 39.712 38.460 0.072 0.000 1.294 16 Y HN 0.377 nan 8.280 nan 0.000 0.480 17 E N 1.687 121.942 120.200 0.091 0.000 2.360 17 E HA 0.232 4.582 4.350 -0.000 0.000 0.269 17 E C -0.644 175.906 176.600 -0.083 0.000 1.022 17 E CA 0.126 56.519 56.400 -0.012 0.000 0.887 17 E CB 0.877 30.558 29.700 -0.033 0.000 0.990 17 E HN 0.464 nan 8.360 nan 0.000 0.426 18 I N 1.555 122.088 120.570 -0.062 0.000 2.428 18 I HA 0.172 4.342 4.170 -0.000 0.000 0.296 18 I C 0.374 176.430 176.117 -0.101 0.000 0.985 18 I CA -0.298 60.953 61.300 -0.081 0.000 1.260 18 I CB 1.481 39.467 38.000 -0.024 0.000 1.389 18 I HN 0.155 nan 8.210 nan 0.000 0.484 19 T N 4.355 118.826 114.554 -0.138 0.000 2.812 19 T HA 0.232 4.582 4.350 -0.000 0.000 0.282 19 T C -0.319 174.339 174.700 -0.069 0.000 0.990 19 T CA -0.576 61.443 62.100 -0.135 0.000 0.960 19 T CB 0.804 69.486 68.868 -0.310 0.000 0.948 19 T HN 0.400 nan 8.240 nan 0.000 0.438 20 N N 2.697 121.412 118.700 0.024 0.000 2.609 20 N HA 0.187 4.927 4.740 -0.000 0.000 0.234 20 N C -0.963 174.641 175.510 0.158 0.000 1.001 20 N CA -0.374 52.707 53.050 0.052 0.000 0.926 20 N CB 0.359 38.862 38.487 0.027 0.000 1.130 20 N HN 0.526 nan 8.380 nan 0.000 0.510 21 Y N 1.199 121.350 120.300 -0.248 0.000 2.636 21 Y HA 0.259 4.809 4.550 -0.000 0.000 0.260 21 Y C 1.891 177.375 175.900 -0.692 0.000 1.177 21 Y CA -0.447 57.397 58.100 -0.427 0.000 1.209 21 Y CB 0.072 38.248 38.460 -0.473 0.000 1.166 21 Y HN 0.419 nan 8.280 nan 0.000 0.531 22 S N -0.170 115.361 115.700 -0.281 0.000 2.374 22 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 22 S C 1.959 176.507 174.600 -0.087 0.000 1.037 22 S CA 1.565 59.669 58.200 -0.160 0.000 1.024 22 S CB 0.094 63.295 63.200 0.001 0.000 0.861 22 S HN 0.448 nan 8.310 nan 0.000 0.456 23 E N 1.033 121.173 120.200 -0.100 0.000 2.072 23 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 23 E C 2.283 178.854 176.600 -0.048 0.000 0.985 23 E CA 0.664 57.030 56.400 -0.057 0.000 0.801 23 E CB -0.217 29.441 29.700 -0.071 0.000 0.750 23 E HN 0.427 nan 8.360 nan 0.000 0.452 24 R N -0.217 120.199 120.500 -0.140 0.000 2.105 24 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 24 R C 2.223 178.648 176.300 0.208 0.000 1.135 24 R CA 1.278 57.348 56.100 -0.050 0.000 0.967 24 R CB -0.431 29.697 30.300 -0.287 0.000 0.861 24 R HN 0.478 nan 8.270 nan 0.000 0.442 25 H N -0.823 118.357 119.070 0.184 0.000 2.387 25 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 25 H C 2.271 177.649 175.328 0.084 0.000 1.099 25 H CA 1.478 57.644 56.048 0.196 0.000 1.315 25 H CB 0.003 29.888 29.762 0.204 0.000 1.380 25 H HN 0.351 nan 8.280 nan 0.000 0.513 26 T N -0.956 113.704 114.554 0.177 0.000 3.007 26 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 26 T C 1.400 176.131 174.700 0.050 0.000 1.107 26 T CA 0.949 63.100 62.100 0.085 0.000 1.118 26 T CB 0.058 68.958 68.868 0.054 0.000 0.889 26 T HN 0.468 nan 8.240 nan 0.000 0.506 27 E N 0.435 120.676 120.200 0.069 0.000 2.474 27 E HA 0.278 4.628 4.350 -0.000 0.000 0.195 27 E C 0.321 176.941 176.600 0.034 0.000 1.039 27 E CA -0.240 56.184 56.400 0.041 0.000 0.881 27 E CB 0.273 29.999 29.700 0.043 0.000 0.970 27 E HN 0.529 nan 8.360 nan 0.000 0.486 28 L N 2.570 123.831 121.223 0.064 0.000 2.439 28 L HA 0.175 4.515 4.340 -0.000 0.000 0.269 28 L C -2.039 174.741 176.870 -0.150 0.000 1.179 28 L CA -1.837 53.024 54.840 0.036 0.000 0.828 28 L CB -0.124 42.010 42.059 0.125 0.000 1.106 28 L HN -0.247 nan 8.230 nan 0.000 0.467 29 P HA -0.007 nan 4.420 nan 0.000 0.265 29 P C 0.719 177.595 177.300 -0.708 0.000 1.193 29 P CA 0.117 62.796 63.100 -0.702 0.000 0.765 29 P CB 0.851 31.774 31.700 -1.294 0.000 0.823 30 G N 2.708 111.218 108.800 -0.483 0.000 2.469 30 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 30 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 30 G C 1.066 175.807 174.900 -0.265 0.000 1.136 30 G CA 1.109 46.032 45.100 -0.296 0.000 0.759 30 G HN 0.743 nan 8.290 nan 0.000 0.562 31 H N -1.511 117.446 119.070 -0.188 0.000 2.543 31 H HA 0.121 4.677 4.556 -0.000 0.000 0.286 31 H C 1.717 177.070 175.328 0.041 0.000 1.037 31 H CA 0.646 56.632 56.048 -0.103 0.000 1.250 31 H CB -0.470 29.215 29.762 -0.128 0.000 1.373 31 H HN 0.334 nan 8.280 nan 0.000 0.580 32 F N 1.259 121.151 119.950 -0.096 0.000 2.367 32 F HA 0.146 4.673 4.527 0.000 0.000 0.298 32 F C 0.881 176.620 175.800 -0.101 0.000 1.094 32 F CA -0.563 57.416 58.000 -0.035 0.000 1.409 32 F CB -0.004 38.918 39.000 -0.130 0.000 1.064 32 F HN 0.115 nan 8.300 nan 0.000 0.528 33 I N 0.390 120.927 120.570 -0.055 0.000 2.352 33 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 33 I C 1.018 177.146 176.117 0.017 0.000 1.036 33 I CA -0.398 60.810 61.300 -0.152 0.000 1.336 33 I CB -0.001 37.858 38.000 -0.235 0.000 1.407 33 I HN -0.037 nan 8.210 nan 0.000 0.497 34 G N 4.436 113.287 108.800 0.085 0.000 2.525 34 G HA2 0.371 4.331 3.960 -0.000 0.000 0.287 34 G HA3 0.371 4.331 3.960 -0.000 0.000 0.287 34 G C 0.652 175.584 174.900 0.053 0.000 1.350 34 G CA -0.465 44.683 45.100 0.079 0.000 1.039 34 G HN 0.555 nan 8.290 nan 0.000 0.513 35 L N -0.559 120.691 121.223 0.046 0.000 2.072 35 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 35 L C 1.035 177.926 176.870 0.034 0.000 1.079 35 L CA 0.914 55.774 54.840 0.033 0.000 0.752 35 L CB -0.337 41.739 42.059 0.028 0.000 0.906 35 L HN 0.297 nan 8.230 nan 0.000 0.436 36 N N 1.144 119.866 118.700 0.037 0.000 3.124 36 N HA 0.078 4.818 4.740 -0.000 0.000 0.284 36 N C -0.376 175.162 175.510 0.047 0.000 1.209 36 N CA 0.337 53.407 53.050 0.033 0.000 1.149 36 N CB -0.425 38.074 38.487 0.021 0.000 1.434 36 N HN 0.371 nan 8.380 nan 0.000 0.529 37 T N -3.042 111.544 114.554 0.053 0.000 2.926 37 T HA 0.063 4.413 4.350 -0.000 0.000 0.307 37 T C 2.036 176.775 174.700 0.066 0.000 1.059 37 T CA -0.789 61.352 62.100 0.070 0.000 1.122 37 T CB 0.986 69.893 68.868 0.064 0.000 0.972 37 T HN 0.142 nan 8.240 nan 0.000 0.545 38 V N -0.562 119.399 119.914 0.080 0.000 2.380 38 V HA -0.174 3.946 4.120 -0.000 0.000 0.251 38 V C 1.759 177.896 176.094 0.072 0.000 1.063 38 V CA 1.910 64.256 62.300 0.077 0.000 1.055 38 V CB -0.833 31.048 31.823 0.097 0.000 0.657 38 V HN 0.845 nan 8.190 nan 0.000 0.455 39 D N 1.050 121.497 120.400 0.077 0.000 2.323 39 D HA -0.021 4.619 4.640 -0.000 0.000 0.209 39 D C 1.872 178.202 176.300 0.049 0.000 0.973 39 D CA 1.373 55.413 54.000 0.065 0.000 0.874 39 D CB -0.029 40.815 40.800 0.072 0.000 0.930 39 D HN 0.806 nan 8.370 nan 0.000 0.521 40 K N 0.239 120.665 120.400 0.044 0.000 2.437 40 K HA 0.210 4.530 4.320 -0.000 0.000 0.205 40 K C 0.074 176.691 176.600 0.028 0.000 1.026 40 K CA -0.338 55.969 56.287 0.033 0.000 1.153 40 K CB 0.477 32.996 32.500 0.031 0.000 0.863 40 K HN -0.106 nan 8.250 nan 0.000 0.502 41 L N 1.789 123.030 121.223 0.030 0.000 2.362 41 L HA 0.328 4.668 4.340 -0.000 0.000 0.275 41 L C -0.612 176.271 176.870 0.023 0.000 0.998 41 L CA -0.699 54.155 54.840 0.023 0.000 0.820 41 L CB 2.008 44.080 42.059 0.022 0.000 1.270 41 L HN 0.232 nan 8.230 nan 0.000 0.415 42 E N 2.994 123.203 120.200 0.015 0.000 2.415 42 E HA 0.039 4.389 4.350 -0.000 0.000 0.262 42 E C -0.562 176.049 176.600 0.017 0.000 1.038 42 E CA -0.201 56.209 56.400 0.015 0.000 0.921 42 E CB 0.549 30.254 29.700 0.008 0.000 0.950 42 E HN 0.618 nan 8.360 nan 0.000 0.438 43 E N 1.236 121.450 120.200 0.024 0.000 2.502 43 E HA 0.006 4.356 4.350 -0.000 0.000 0.261 43 E C -0.618 175.994 176.600 0.021 0.000 0.974 43 E CA 0.615 57.034 56.400 0.032 0.000 0.936 43 E CB 0.548 30.270 29.700 0.037 0.000 0.926 43 E HN 0.488 nan 8.360 nan 0.000 0.459 44 S N 1.404 117.120 115.700 0.026 0.000 2.567 44 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 44 S C -2.606 172.006 174.600 0.019 0.000 1.152 44 S CA -1.329 56.871 58.200 -0.001 0.000 0.835 44 S CB 1.822 64.998 63.200 -0.041 0.000 1.115 44 S HN 0.076 nan 8.310 nan 0.000 0.459 45 P HA -0.107 nan 4.420 nan 0.000 0.216 45 P C 1.642 178.951 177.300 0.015 0.000 1.157 45 P CA 0.850 63.990 63.100 0.066 0.000 0.880 45 P CB 0.039 31.736 31.700 -0.005 0.000 0.791 46 L N -0.633 120.390 121.223 -0.333 0.000 2.027 46 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 46 L C 2.447 179.329 176.870 0.020 0.000 1.074 46 L CA 1.819 56.438 54.840 -0.369 0.000 0.745 46 L CB -1.019 40.761 42.059 -0.466 0.000 0.898 46 L HN -0.220 nan 8.230 nan 0.000 0.433 47 R N -0.033 120.474 120.500 0.011 0.000 2.073 47 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 47 R C 1.769 178.141 176.300 0.120 0.000 1.134 47 R CA 2.024 58.161 56.100 0.062 0.000 0.952 47 R CB -0.713 29.609 30.300 0.036 0.000 0.850 47 R HN 0.458 nan 8.270 nan 0.000 0.433 48 D N -0.191 120.306 120.400 0.162 0.000 2.144 48 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 48 D C 1.641 178.073 176.300 0.220 0.000 0.984 48 D CA 0.916 55.046 54.000 0.218 0.000 0.834 48 D CB -0.456 40.517 40.800 0.289 0.000 0.955 48 D HN 0.224 nan 8.370 nan 0.000 0.465 49 F N 1.499 121.483 119.950 0.056 0.000 2.113 49 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 49 F C 2.180 177.882 175.800 -0.163 0.000 1.103 49 F CA 1.053 58.894 58.000 -0.266 0.000 1.248 49 F CB -0.245 38.697 39.000 -0.096 0.000 0.999 49 F HN -0.225 nan 8.300 nan 0.000 0.475 50 V N 0.997 121.011 119.914 0.167 0.000 2.295 50 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 50 V C 2.477 178.578 176.094 0.011 0.000 1.049 50 V CA 2.356 64.702 62.300 0.076 0.000 1.024 50 V CB -0.884 31.010 31.823 0.119 0.000 0.648 50 V HN 0.336 nan 8.190 nan 0.000 0.447 51 K N 0.892 121.324 120.400 0.052 0.000 2.009 51 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 51 K C 2.431 179.049 176.600 0.030 0.000 1.049 51 K CA 2.038 58.365 56.287 0.066 0.000 0.929 51 K CB -0.331 32.219 32.500 0.084 0.000 0.714 51 K HN 0.609 nan 8.250 nan 0.000 0.440 52 S N -0.258 115.454 115.700 0.021 0.000 2.399 52 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 52 S C 1.409 175.915 174.600 -0.157 0.000 1.022 52 S CA 1.246 59.438 58.200 -0.015 0.000 0.983 52 S CB -0.564 62.683 63.200 0.078 0.000 0.803 52 S HN 0.449 nan 8.310 nan 0.000 0.480 53 H N 1.400 120.240 119.070 -0.385 0.000 2.536 53 H HA 0.427 4.983 4.556 -0.000 0.000 0.276 53 H C 1.610 176.727 175.328 -0.350 0.000 1.019 53 H CA -0.162 55.615 56.048 -0.452 0.000 1.159 53 H CB -0.301 29.042 29.762 -0.698 0.000 1.373 53 H HN 0.589 nan 8.280 nan 0.000 0.584 54 G N -0.206 108.512 108.800 -0.137 0.000 2.136 54 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.242 54 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.242 54 G C 0.781 175.768 174.900 0.145 0.000 0.989 54 G CA 0.123 45.163 45.100 -0.099 0.000 0.682 54 G HN 0.767 nan 8.290 nan 0.000 0.522 55 G N -1.142 107.708 108.800 0.083 0.000 2.562 55 G HA2 0.603 4.563 3.960 -0.000 0.000 0.275 55 G HA3 0.603 4.563 3.960 -0.000 0.000 0.275 55 G C 0.444 175.337 174.900 -0.012 0.000 1.196 55 G CA 0.367 45.461 45.100 -0.010 0.000 0.908 55 G HN 0.981 nan 8.290 nan 0.000 0.524 56 H N -2.673 116.313 119.070 -0.141 0.000 2.788 56 H HA 0.319 4.875 4.556 -0.000 0.000 0.262 56 H C 0.437 175.718 175.328 -0.079 0.000 0.968 56 H CA 0.283 56.177 56.048 -0.257 0.000 1.218 56 H CB 0.317 29.706 29.762 -0.622 0.000 1.443 56 H HN 0.350 nan 8.280 nan 0.000 0.478 57 T N 1.661 116.229 114.554 0.024 0.000 2.861 57 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 57 T C -0.816 173.894 174.700 0.016 0.000 1.003 57 T CA -0.791 61.370 62.100 0.103 0.000 0.977 57 T CB 2.704 71.698 68.868 0.211 0.000 0.996 57 T HN 0.030 nan 8.240 nan 0.000 0.448 58 V N 4.348 124.281 119.914 0.030 0.000 2.368 58 V HA 0.344 4.464 4.120 -0.000 0.000 0.266 58 V C 0.090 176.183 176.094 -0.002 0.000 1.045 58 V CA -0.460 61.848 62.300 0.014 0.000 0.899 58 V CB 0.273 32.102 31.823 0.010 0.000 1.006 58 V HN 0.770 nan 8.190 nan 0.000 0.470 59 I N 5.201 125.762 120.570 -0.015 0.000 2.310 59 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 59 I C 1.106 177.182 176.117 -0.069 0.000 1.073 59 I CA 0.148 61.427 61.300 -0.035 0.000 1.216 59 I CB 1.294 39.268 38.000 -0.042 0.000 1.415 59 I HN 0.749 nan 8.210 nan 0.000 0.480 60 S N 4.194 119.845 115.700 -0.081 0.000 2.539 60 S HA 0.226 4.696 4.470 -0.000 0.000 0.221 60 S C 0.383 174.894 174.600 -0.149 0.000 0.987 60 S CA -0.310 57.819 58.200 -0.119 0.000 0.929 60 S CB 0.277 63.415 63.200 -0.104 0.000 0.832 60 S HN 0.589 nan 8.310 nan 0.000 0.492 61 K N 0.853 121.172 120.400 -0.134 0.000 2.553 61 K HA 0.594 4.914 4.320 -0.000 0.000 0.250 61 K C -1.964 174.563 176.600 -0.121 0.000 0.953 61 K CA -0.581 55.621 56.287 -0.141 0.000 0.800 61 K CB 1.460 33.918 32.500 -0.070 0.000 1.243 61 K HN 0.241 nan 8.250 nan 0.000 0.435 62 I N 4.459 124.923 120.570 -0.177 0.000 2.509 62 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 62 I C -0.902 175.288 176.117 0.123 0.000 1.020 62 I CA -1.308 59.966 61.300 -0.044 0.000 1.088 62 I CB 1.865 39.800 38.000 -0.108 0.000 1.267 62 I HN 0.459 nan 8.210 nan 0.000 0.430 63 L N 7.458 128.782 121.223 0.168 0.000 2.282 63 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 63 L C -0.676 176.353 176.870 0.265 0.000 1.033 63 L CA 0.075 55.039 54.840 0.207 0.000 0.807 63 L CB 0.861 43.016 42.059 0.160 0.000 1.209 63 L HN 0.398 nan 8.230 nan 0.000 0.423 64 I N 5.896 126.638 120.570 0.286 0.000 2.301 64 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 64 I C 0.530 176.766 176.117 0.198 0.000 1.046 64 I CA -0.293 61.174 61.300 0.279 0.000 1.282 64 I CB 1.375 39.493 38.000 0.197 0.000 1.409 64 I HN 0.836 nan 8.210 nan 0.000 0.484 65 A N 6.114 129.036 122.820 0.170 0.000 3.168 65 A HA 0.437 4.757 4.320 -0.000 0.000 0.260 65 A C -0.041 177.544 177.584 0.001 0.000 1.598 65 A CA -0.013 52.100 52.037 0.127 0.000 1.285 65 A CB -0.574 18.500 19.000 0.123 0.000 1.149 65 A HN 0.894 nan 8.150 nan 0.000 0.630 66 N N -0.554 118.049 118.700 -0.161 0.000 3.373 66 N HA 0.331 5.071 4.740 -0.000 0.000 0.275 66 N C -1.234 173.752 175.510 -0.873 0.000 1.489 66 N CA -0.392 52.393 53.050 -0.442 0.000 0.872 66 N CB 0.843 39.177 38.487 -0.255 0.000 1.555 66 N HN 0.496 nan 8.380 nan 0.000 0.500 67 N N -0.475 117.687 118.700 -0.897 0.000 3.574 67 N HA 0.570 5.310 4.740 -0.000 0.000 0.340 67 N C 0.494 175.618 175.510 -0.644 0.000 1.650 67 N CA 0.201 52.532 53.050 -1.198 0.000 0.762 67 N CB -0.378 37.508 38.487 -1.000 0.000 2.206 67 N HN 0.827 nan 8.380 nan 0.000 0.621 68 G N 0.612 109.175 108.800 -0.395 0.000 2.581 68 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.291 68 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.291 68 G C 0.773 175.618 174.900 -0.091 0.000 1.277 68 G CA 0.813 45.854 45.100 -0.098 0.000 0.959 68 G HN 0.955 nan 8.290 nan 0.000 0.554 69 I N 1.386 121.953 120.570 -0.006 0.000 2.361 69 I HA 0.090 4.260 4.170 -0.000 0.000 0.251 69 I C 3.034 179.161 176.117 0.016 0.000 1.133 69 I CA 2.602 63.884 61.300 -0.030 0.000 1.413 69 I CB -0.861 37.067 38.000 -0.119 0.000 1.073 69 I HN 0.951 nan 8.210 nan 0.000 0.424 70 A N 0.611 123.421 122.820 -0.015 0.000 1.865 70 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 70 A C 2.536 180.026 177.584 -0.158 0.000 1.191 70 A CA 2.235 54.106 52.037 -0.276 0.000 0.623 70 A CB -1.454 17.042 19.000 -0.841 0.000 0.826 70 A HN 0.536 nan 8.150 nan 0.000 0.444 71 A N -0.771 121.906 122.820 -0.238 0.000 1.902 71 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 71 A C 2.254 179.674 177.584 -0.273 0.000 1.181 71 A CA 1.859 53.726 52.037 -0.284 0.000 0.623 71 A CB -0.995 17.700 19.000 -0.508 0.000 0.818 71 A HN 0.431 nan 8.150 nan 0.000 0.443 72 V N 0.297 120.110 119.914 -0.168 0.000 2.343 72 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 72 V C 2.594 178.570 176.094 -0.196 0.000 1.051 72 V CA 2.443 64.660 62.300 -0.138 0.000 1.036 72 V CB -0.626 31.157 31.823 -0.067 0.000 0.654 72 V HN 0.615 nan 8.190 nan 0.000 0.451 73 K N 0.925 121.232 120.400 -0.154 0.000 2.057 73 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 73 K C 2.034 178.472 176.600 -0.271 0.000 1.049 73 K CA 1.951 58.164 56.287 -0.124 0.000 0.931 73 K CB -0.423 32.135 32.500 0.096 0.000 0.714 73 K HN 0.469 nan 8.250 nan 0.000 0.440 74 E N 0.465 120.349 120.200 -0.526 0.000 2.051 74 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 74 E C 1.861 178.013 176.600 -0.747 0.000 0.991 74 E CA 1.767 57.621 56.400 -0.909 0.000 0.799 74 E CB -0.306 28.378 29.700 -1.694 0.000 0.748 74 E HN 0.435 nan 8.360 nan 0.000 0.449 75 I N 0.116 120.199 120.570 -0.812 0.000 2.142 75 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 75 I C 2.690 178.611 176.117 -0.326 0.000 1.078 75 I CA 1.365 62.156 61.300 -0.850 0.000 1.343 75 I CB -0.322 37.274 38.000 -0.674 0.000 1.046 75 I HN 0.084 nan 8.210 nan 0.000 0.405 76 R N 0.256 120.609 120.500 -0.244 0.000 2.081 76 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 76 R C 2.533 178.778 176.300 -0.093 0.000 1.131 76 R CA 1.733 57.749 56.100 -0.141 0.000 0.960 76 R CB -0.406 29.803 30.300 -0.151 0.000 0.856 76 R HN 0.274 nan 8.270 nan 0.000 0.436 77 S N 0.273 115.901 115.700 -0.120 0.000 2.356 77 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 77 S C 2.099 176.714 174.600 0.024 0.000 1.032 77 S CA 1.172 59.334 58.200 -0.063 0.000 1.005 77 S CB -0.092 63.056 63.200 -0.088 0.000 0.867 77 S HN 0.076 nan 8.310 nan 0.000 0.449 78 V N 1.830 121.763 119.914 0.032 0.000 2.358 78 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 78 V C 2.410 178.700 176.094 0.326 0.000 1.047 78 V CA 1.547 63.969 62.300 0.203 0.000 1.035 78 V CB -0.551 31.469 31.823 0.328 0.000 0.658 78 V HN 0.362 nan 8.190 nan 0.000 0.452 79 R N 0.018 120.664 120.500 0.243 0.000 2.120 79 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 79 R C 2.357 178.755 176.300 0.164 0.000 1.123 79 R CA 1.372 57.595 56.100 0.205 0.000 0.975 79 R CB -0.272 30.109 30.300 0.136 0.000 0.866 79 R HN 0.312 nan 8.270 nan 0.000 0.446 80 K N 0.421 120.897 120.400 0.127 0.000 2.025 80 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 80 K C 1.617 178.310 176.600 0.155 0.000 1.049 80 K CA 1.375 57.727 56.287 0.109 0.000 0.933 80 K CB -0.506 32.023 32.500 0.049 0.000 0.714 80 K HN 0.246 nan 8.250 nan 0.000 0.438 81 W N 0.895 122.190 121.300 -0.009 0.000 2.358 81 W HA -0.124 4.536 4.660 0.000 0.000 0.303 81 W C 1.799 178.271 176.519 -0.078 0.000 1.208 81 W CA 2.478 59.787 57.345 -0.060 0.000 1.274 81 W CB -0.611 28.802 29.460 -0.078 0.000 1.138 81 W HN 0.123 nan 8.180 nan 0.000 0.515 82 A N -0.444 122.331 122.820 -0.075 0.000 1.902 82 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 82 A C 1.925 179.407 177.584 -0.171 0.000 1.181 82 A CA 1.757 53.654 52.037 -0.234 0.000 0.623 82 A CB -1.622 17.444 19.000 0.110 0.000 0.818 82 A HN 0.582 nan 8.150 nan 0.000 0.443 83 Y N 0.741 120.957 120.300 -0.140 0.000 2.163 83 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 83 Y C 2.286 178.074 175.900 -0.186 0.000 1.136 83 Y CA 2.135 60.167 58.100 -0.114 0.000 1.147 83 Y CB -0.258 38.165 38.460 -0.063 0.000 0.987 83 Y HN 0.465 nan 8.280 nan 0.000 0.509 84 E N -1.203 118.877 120.200 -0.200 0.000 2.153 84 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 84 E C 1.857 178.182 176.600 -0.459 0.000 0.988 84 E CA 1.676 57.911 56.400 -0.276 0.000 0.811 84 E CB -0.076 29.539 29.700 -0.142 0.000 0.746 84 E HN 0.466 nan 8.360 nan 0.000 0.466 85 T N -0.378 113.722 114.554 -0.758 0.000 3.010 85 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 85 T C 0.993 175.031 174.700 -1.103 0.000 1.047 85 T CA 0.636 62.072 62.100 -1.106 0.000 1.140 85 T CB 0.058 67.701 68.868 -2.042 0.000 0.885 85 T HN 0.076 nan 8.240 nan 0.000 0.464 86 F N -0.039 119.639 119.950 -0.453 0.000 2.767 86 F HA 0.478 5.005 4.527 -0.000 0.000 0.323 86 F C 1.845 177.472 175.800 -0.290 0.000 1.091 86 F CA -0.322 57.489 58.000 -0.314 0.000 1.192 86 F CB 0.075 38.888 39.000 -0.312 0.000 1.056 86 F HN 0.234 nan 8.300 nan 0.000 0.571 87 G N 0.461 109.076 108.800 -0.309 0.000 2.184 87 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 87 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 87 G C -0.247 174.554 174.900 -0.166 0.000 0.975 87 G CA 0.436 45.275 45.100 -0.436 0.000 0.642 87 G HN 0.359 nan 8.290 nan 0.000 0.536 88 D N 0.446 120.841 120.400 -0.008 0.000 2.473 88 D HA 0.364 5.004 4.640 -0.000 0.000 0.253 88 D C 0.919 177.304 176.300 0.142 0.000 1.233 88 D CA -0.034 54.025 54.000 0.097 0.000 0.908 88 D CB 0.839 41.656 40.800 0.027 0.000 1.170 88 D HN 0.092 nan 8.370 nan 0.000 0.558 89 D N 2.893 123.431 120.400 0.230 0.000 2.378 89 D HA -0.104 4.536 4.640 -0.000 0.000 0.227 89 D C 0.427 176.795 176.300 0.113 0.000 1.012 89 D CA 0.131 54.240 54.000 0.181 0.000 0.905 89 D CB 0.355 41.237 40.800 0.137 0.000 0.895 89 D HN 0.147 nan 8.370 nan 0.000 0.532 90 R N -0.173 120.369 120.500 0.070 0.000 2.546 90 R HA 0.194 4.534 4.340 -0.000 0.000 0.320 90 R C 1.272 177.555 176.300 -0.029 0.000 1.021 90 R CA -0.035 56.087 56.100 0.036 0.000 1.088 90 R CB -0.475 29.843 30.300 0.030 0.000 1.278 90 R HN 0.109 nan 8.270 nan 0.000 0.557 91 T N 0.251 114.773 114.554 -0.054 0.000 2.759 91 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 91 T C 1.007 175.600 174.700 -0.178 0.000 1.042 91 T CA 1.065 63.059 62.100 -0.178 0.000 1.140 91 T CB 0.188 68.847 68.868 -0.348 0.000 0.864 91 T HN -0.085 nan 8.240 nan 0.000 0.455 92 V N 3.130 122.971 119.914 -0.122 0.000 2.334 92 V HA 0.265 4.385 4.120 -0.000 0.000 0.281 92 V C -0.087 175.808 176.094 -0.331 0.000 1.016 92 V CA -0.900 61.275 62.300 -0.208 0.000 0.832 92 V CB 1.465 33.185 31.823 -0.171 0.000 0.999 92 V HN 0.272 nan 8.190 nan 0.000 0.439 93 Q N 3.269 122.893 119.800 -0.294 0.000 2.354 93 Q HA 0.470 4.810 4.340 -0.000 0.000 0.244 93 Q C -1.139 174.619 176.000 -0.404 0.000 0.969 93 Q CA 0.049 55.715 55.803 -0.228 0.000 0.885 93 Q CB 1.596 30.271 28.738 -0.104 0.000 1.241 93 Q HN 0.559 nan 8.270 nan 0.000 0.461 94 F N 0.078 120.039 119.950 0.018 0.000 2.507 94 F HA 0.332 4.859 4.527 -0.000 0.000 0.325 94 F C -0.204 175.632 175.800 0.060 0.000 1.116 94 F CA -0.871 57.148 58.000 0.032 0.000 0.930 94 F CB 1.652 40.664 39.000 0.020 0.000 1.146 94 F HN 0.076 nan 8.300 nan 0.000 0.447 95 V N 3.462 123.541 119.914 0.275 0.000 2.398 95 V HA 0.786 4.906 4.120 -0.000 0.000 0.286 95 V C -0.010 176.243 176.094 0.265 0.000 1.026 95 V CA -0.797 61.632 62.300 0.215 0.000 0.868 95 V CB 1.241 33.153 31.823 0.149 0.000 0.982 95 V HN 0.878 nan 8.190 nan 0.000 0.443 96 A N 5.923 128.914 122.820 0.285 0.000 2.306 96 A HA 0.895 5.215 4.320 -0.000 0.000 0.330 96 A C -0.392 177.404 177.584 0.354 0.000 1.146 96 A CA -0.701 51.543 52.037 0.345 0.000 0.827 96 A CB 0.988 20.202 19.000 0.357 0.000 1.178 96 A HN 0.806 nan 8.150 nan 0.000 0.490 97 M N 1.588 121.436 119.600 0.415 0.000 2.180 97 M HA 0.525 5.005 4.480 -0.000 0.000 0.350 97 M C -0.101 176.488 176.300 0.482 0.000 1.125 97 M CA -0.066 55.464 55.300 0.383 0.000 1.031 97 M CB 1.790 34.620 32.600 0.385 0.000 1.623 97 M HN 0.766 nan 8.290 nan 0.000 0.451 98 A N 2.447 125.443 122.820 0.293 0.000 2.332 98 A HA 0.679 4.999 4.320 -0.000 0.000 0.300 98 A C -0.005 177.650 177.584 0.118 0.000 1.153 98 A CA -0.718 51.443 52.037 0.206 0.000 0.764 98 A CB 0.677 19.639 19.000 -0.064 0.000 1.174 98 A HN 0.807 nan 8.150 nan 0.000 0.467 99 T N 0.596 115.233 114.554 0.139 0.000 2.874 99 T HA 0.487 4.837 4.350 -0.000 0.000 0.281 99 T C -1.947 172.791 174.700 0.063 0.000 0.994 99 T CA -1.522 60.605 62.100 0.046 0.000 1.015 99 T CB 0.876 69.766 68.868 0.036 0.000 1.028 99 T HN 0.208 nan 8.240 nan 0.000 0.523 100 P HA -0.054 nan 4.420 nan 0.000 0.216 100 P C 1.251 178.583 177.300 0.053 0.000 1.150 100 P CA 0.988 64.113 63.100 0.042 0.000 0.837 100 P CB 0.060 31.785 31.700 0.042 0.000 0.786 101 E N -0.471 119.785 120.200 0.094 0.000 2.031 101 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 101 E C 1.845 178.510 176.600 0.108 0.000 0.994 101 E CA 1.328 57.798 56.400 0.115 0.000 0.800 101 E CB -0.926 28.894 29.700 0.200 0.000 0.752 101 E HN 0.259 nan 8.360 nan 0.000 0.447 102 D N 0.019 120.509 120.400 0.149 0.000 2.144 102 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 102 D C 2.064 178.365 176.300 0.002 0.000 0.984 102 D CA 0.697 54.777 54.000 0.135 0.000 0.834 102 D CB -0.105 40.859 40.800 0.274 0.000 0.955 102 D HN 0.138 nan 8.370 nan 0.000 0.465 103 L N 0.954 122.157 121.223 -0.033 0.000 1.994 103 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 103 L C 2.364 179.197 176.870 -0.062 0.000 1.071 103 L CA 1.259 56.038 54.840 -0.102 0.000 0.745 103 L CB -0.373 41.633 42.059 -0.089 0.000 0.892 103 L HN -0.015 nan 8.230 nan 0.000 0.431 104 E N -0.198 119.987 120.200 -0.026 0.000 2.209 104 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 104 E C 1.941 178.529 176.600 -0.020 0.000 0.993 104 E CA 1.024 57.411 56.400 -0.022 0.000 0.819 104 E CB -0.100 29.588 29.700 -0.019 0.000 0.745 104 E HN 0.505 nan 8.360 nan 0.000 0.477 105 A N 0.605 123.420 122.820 -0.009 0.000 2.218 105 A HA 0.004 4.324 4.320 -0.000 0.000 0.209 105 A C 0.311 177.881 177.584 -0.022 0.000 1.168 105 A CA 0.154 52.192 52.037 0.002 0.000 0.804 105 A CB -0.317 18.707 19.000 0.040 0.000 0.834 105 A HN 0.360 nan 8.150 nan 0.000 0.482 106 N N -1.251 117.415 118.700 -0.057 0.000 2.740 106 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 106 N C 0.169 175.613 175.510 -0.111 0.000 1.062 106 N CA -0.100 52.895 53.050 -0.092 0.000 0.704 106 N CB -1.243 37.206 38.487 -0.063 0.000 0.968 106 N HN 0.715 nan 8.380 nan 0.000 0.547 107 A N 0.435 123.186 122.820 -0.115 0.000 2.584 107 A HA -0.007 4.313 4.320 -0.000 0.000 0.239 107 A C 1.352 178.826 177.584 -0.182 0.000 1.043 107 A CA 0.400 52.383 52.037 -0.089 0.000 0.756 107 A CB 0.287 19.289 19.000 0.004 0.000 0.963 107 A HN 0.388 nan 8.150 nan 0.000 0.511 108 E N 1.176 121.325 120.200 -0.084 0.000 2.085 108 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 108 E C 1.533 178.077 176.600 -0.093 0.000 0.994 108 E CA 2.475 58.823 56.400 -0.086 0.000 0.801 108 E CB -0.542 29.126 29.700 -0.052 0.000 0.743 108 E HN 0.988 nan 8.360 nan 0.000 0.453 109 Y N -0.454 119.793 120.300 -0.089 0.000 2.315 109 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 109 Y C 1.830 177.689 175.900 -0.068 0.000 1.154 109 Y CA 0.911 58.955 58.100 -0.094 0.000 1.229 109 Y CB -0.558 37.839 38.460 -0.106 0.000 0.980 109 Y HN -0.016 nan 8.280 nan 0.000 0.540 110 I N 0.758 120.787 120.570 -0.901 0.000 2.252 110 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 110 I C 2.883 178.834 176.117 -0.278 0.000 1.102 110 I CA 1.597 62.496 61.300 -0.669 0.000 1.385 110 I CB -0.467 37.047 38.000 -0.811 0.000 1.064 110 I HN 0.208 nan 8.210 nan 0.000 0.414 111 R N 1.266 121.630 120.500 -0.227 0.000 2.092 111 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 111 R C 2.265 178.539 176.300 -0.044 0.000 1.119 111 R CA 1.350 57.388 56.100 -0.103 0.000 0.970 111 R CB -0.079 30.163 30.300 -0.097 0.000 0.864 111 R HN 0.285 nan 8.270 nan 0.000 0.440 112 M N 0.851 120.420 119.600 -0.052 0.000 2.156 112 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 112 M C 1.185 177.502 176.300 0.028 0.000 1.067 112 M CA 0.927 56.216 55.300 -0.018 0.000 1.131 112 M CB -0.183 32.396 32.600 -0.036 0.000 1.368 112 M HN 0.113 nan 8.290 nan 0.000 0.416 113 A N 1.247 124.096 122.820 0.049 0.000 2.555 113 A HA -0.086 4.234 4.320 -0.000 0.000 0.233 113 A C 0.694 178.360 177.584 0.136 0.000 1.060 113 A CA 0.078 52.194 52.037 0.130 0.000 0.759 113 A CB 0.028 19.131 19.000 0.171 0.000 0.995 113 A HN 0.413 nan 8.150 nan 0.000 0.506 114 D N -0.109 120.386 120.400 0.159 0.000 2.224 114 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 114 D C 0.790 177.142 176.300 0.087 0.000 0.965 114 D CA 1.684 55.747 54.000 0.106 0.000 0.852 114 D CB 0.264 41.118 40.800 0.090 0.000 0.947 114 D HN 0.806 nan 8.370 nan 0.000 0.494 115 Q N -0.738 119.131 119.800 0.115 0.000 2.575 115 Q HA 0.410 4.750 4.340 -0.000 0.000 0.290 115 Q C -1.708 174.390 176.000 0.163 0.000 0.963 115 Q CA -1.094 54.750 55.803 0.069 0.000 0.783 115 Q CB 1.647 30.389 28.738 0.005 0.000 1.467 115 Q HN 0.063 nan 8.270 nan 0.000 0.402 116 Y N -0.907 119.419 120.300 0.043 0.000 2.597 116 Y HA 0.825 5.375 4.550 -0.000 0.000 0.340 116 Y C -1.806 174.124 175.900 0.049 0.000 1.097 116 Y CA -1.345 56.788 58.100 0.056 0.000 1.037 116 Y CB 1.614 40.090 38.460 0.026 0.000 1.305 116 Y HN 0.679 nan 8.280 nan 0.000 0.463 117 I N 2.653 123.395 120.570 0.287 0.000 2.466 117 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 117 I C -0.752 175.514 176.117 0.249 0.000 1.026 117 I CA -0.925 60.477 61.300 0.170 0.000 1.078 117 I CB 2.135 40.195 38.000 0.101 0.000 1.249 117 I HN 0.685 nan 8.210 nan 0.000 0.429 118 E N 5.016 125.344 120.200 0.213 0.000 2.360 118 E HA 0.354 4.704 4.350 -0.000 0.000 0.269 118 E C -0.663 175.986 176.600 0.081 0.000 1.022 118 E CA -0.253 56.247 56.400 0.167 0.000 0.887 118 E CB 1.592 31.380 29.700 0.147 0.000 0.990 118 E HN 0.425 nan 8.360 nan 0.000 0.426 119 V N 0.075 120.012 119.914 0.039 0.000 3.102 119 V HA 0.583 4.703 4.120 -0.000 0.000 0.312 119 V C -2.706 173.362 176.094 -0.044 0.000 1.135 119 V CA -2.936 59.351 62.300 -0.023 0.000 1.022 119 V CB 1.437 33.207 31.823 -0.089 0.000 1.056 119 V HN 0.447 nan 8.190 nan 0.000 0.436 120 P HA 0.343 nan 4.420 nan 0.000 0.269 120 P C 0.329 177.592 177.300 -0.061 0.000 1.215 120 P CA 0.739 63.813 63.100 -0.043 0.000 0.780 120 P CB 0.508 32.185 31.700 -0.039 0.000 0.898 121 G N 0.432 109.223 108.800 -0.016 0.000 2.509 121 G HA2 0.569 4.529 3.960 -0.000 0.000 0.269 121 G HA3 0.569 4.529 3.960 -0.000 0.000 0.269 121 G C 0.172 175.083 174.900 0.017 0.000 1.416 121 G CA -0.180 44.925 45.100 0.009 0.000 1.052 121 G HN 0.834 nan 8.290 nan 0.000 0.542 122 G N -1.856 106.983 108.800 0.065 0.000 2.660 122 G HA2 0.219 4.179 3.960 -0.000 0.000 0.215 122 G HA3 0.219 4.179 3.960 -0.000 0.000 0.215 122 G C 0.349 175.283 174.900 0.056 0.000 1.345 122 G CA 0.472 45.608 45.100 0.060 0.000 0.877 122 G HN 1.882 nan 8.290 nan 0.000 0.549 123 T N -1.275 113.303 114.554 0.039 0.000 2.855 123 T HA 0.260 4.610 4.350 -0.000 0.000 0.322 123 T C 1.825 176.557 174.700 0.054 0.000 1.088 123 T CA 0.846 62.975 62.100 0.049 0.000 1.104 123 T CB 0.528 69.407 68.868 0.018 0.000 0.996 123 T HN 1.398 nan 8.240 nan 0.000 0.549 124 N N 1.965 120.730 118.700 0.110 0.000 2.430 124 N HA -0.251 4.489 4.740 -0.000 0.000 0.186 124 N C 1.407 176.941 175.510 0.039 0.000 1.032 124 N CA 0.944 54.059 53.050 0.109 0.000 0.893 124 N CB -0.495 38.184 38.487 0.319 0.000 0.957 124 N HN 0.763 nan 8.380 nan 0.000 0.442 125 N N 1.000 119.721 118.700 0.035 0.000 2.519 125 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 125 N C 0.216 175.717 175.510 -0.016 0.000 1.062 125 N CA 1.008 54.065 53.050 0.013 0.000 0.910 125 N CB -0.502 37.992 38.487 0.011 0.000 0.958 125 N HN 0.511 nan 8.380 nan 0.000 0.445 126 N N -0.325 118.356 118.700 -0.033 0.000 2.325 126 N HA -0.004 4.736 4.740 -0.000 0.000 0.182 126 N C 0.413 175.859 175.510 -0.107 0.000 1.088 126 N CA 0.457 53.476 53.050 -0.053 0.000 0.879 126 N CB 0.246 38.708 38.487 -0.042 0.000 0.983 126 N HN 0.531 nan 8.380 nan 0.000 0.471 127 N N -1.398 117.203 118.700 -0.165 0.000 2.868 127 N HA 0.021 4.761 4.740 -0.000 0.000 0.185 127 N C 0.368 175.698 175.510 -0.299 0.000 1.654 127 N CA -0.349 52.511 53.050 -0.317 0.000 1.278 127 N CB -0.317 37.810 38.487 -0.599 0.000 0.898 127 N HN -0.161 nan 8.380 nan 0.000 0.692 128 Y N 0.472 120.656 120.300 -0.194 0.000 2.365 128 Y HA 0.209 4.759 4.550 -0.000 0.000 0.287 128 Y C 1.923 177.683 175.900 -0.235 0.000 1.162 128 Y CA 1.000 58.886 58.100 -0.356 0.000 1.260 128 Y CB -0.561 37.327 38.460 -0.953 0.000 0.976 128 Y HN 0.554 nan 8.280 nan 0.000 0.548 129 A N -0.941 121.878 122.820 -0.001 0.000 2.430 129 A HA 0.102 4.422 4.320 -0.000 0.000 0.243 129 A C 0.673 178.273 177.584 0.026 0.000 1.254 129 A CA -0.306 51.773 52.037 0.070 0.000 0.914 129 A CB -0.217 18.867 19.000 0.140 0.000 0.998 129 A HN 0.191 nan 8.150 nan 0.000 0.515 130 N N 1.250 119.946 118.700 -0.007 0.000 2.439 130 N HA 0.169 4.909 4.740 -0.000 0.000 0.243 130 N C 1.030 176.535 175.510 -0.009 0.000 1.088 130 N CA 0.103 53.145 53.050 -0.014 0.000 0.940 130 N CB 1.082 39.550 38.487 -0.032 0.000 1.180 130 N HN -0.011 nan 8.380 nan 0.000 0.505 131 V N 3.420 123.328 119.914 -0.011 0.000 2.255 131 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 131 V C 1.615 177.701 176.094 -0.013 0.000 1.051 131 V CA 1.708 63.998 62.300 -0.018 0.000 1.018 131 V CB -0.338 31.463 31.823 -0.037 0.000 0.641 131 V HN 0.585 nan 8.190 nan 0.000 0.445 132 D N -0.289 120.102 120.400 -0.014 0.000 2.158 132 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 132 D C 1.934 178.231 176.300 -0.004 0.000 0.995 132 D CA 1.309 55.303 54.000 -0.010 0.000 0.846 132 D CB -0.300 40.493 40.800 -0.011 0.000 0.941 132 D HN 0.373 nan 8.370 nan 0.000 0.456 133 L N 0.619 121.838 121.223 -0.006 0.000 2.056 133 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 133 L C 2.143 179.020 176.870 0.012 0.000 1.078 133 L CA 1.232 56.070 54.840 -0.003 0.000 0.749 133 L CB -0.399 41.649 42.059 -0.018 0.000 0.901 133 L HN -0.021 nan 8.230 nan 0.000 0.433 134 I N -1.503 119.078 120.570 0.018 0.000 2.163 134 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 134 I C 2.350 178.494 176.117 0.045 0.000 1.085 134 I CA 1.370 62.696 61.300 0.044 0.000 1.347 134 I CB -0.454 37.577 38.000 0.052 0.000 1.044 134 I HN 0.089 nan 8.210 nan 0.000 0.408 135 V N 0.921 120.852 119.914 0.028 0.000 2.295 135 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 135 V C 2.239 178.349 176.094 0.026 0.000 1.049 135 V CA 2.422 64.738 62.300 0.026 0.000 1.024 135 V CB -0.694 31.135 31.823 0.009 0.000 0.648 135 V HN 0.497 nan 8.190 nan 0.000 0.447 136 D N 0.069 120.481 120.400 0.019 0.000 2.104 136 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 136 D C 1.957 178.273 176.300 0.025 0.000 0.994 136 D CA 1.662 55.673 54.000 0.018 0.000 0.830 136 D CB -0.187 40.620 40.800 0.011 0.000 0.959 136 D HN 0.445 nan 8.370 nan 0.000 0.452 137 I N 0.355 120.945 120.570 0.034 0.000 2.226 137 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 137 I C 2.511 178.658 176.117 0.051 0.000 1.100 137 I CA 0.948 62.274 61.300 0.044 0.000 1.374 137 I CB -0.418 37.617 38.000 0.060 0.000 1.057 137 I HN 0.071 nan 8.210 nan 0.000 0.413 138 A N 0.777 123.631 122.820 0.057 0.000 1.908 138 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 138 A C 2.204 179.814 177.584 0.044 0.000 1.181 138 A CA 1.884 53.957 52.037 0.060 0.000 0.627 138 A CB -0.596 18.445 19.000 0.069 0.000 0.818 138 A HN 0.473 nan 8.150 nan 0.000 0.445 139 E N -0.628 119.593 120.200 0.035 0.000 2.047 139 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 139 E C 2.339 178.952 176.600 0.021 0.000 0.987 139 E CA 1.122 57.538 56.400 0.026 0.000 0.799 139 E CB -0.187 29.525 29.700 0.021 0.000 0.752 139 E HN 0.547 nan 8.360 nan 0.000 0.449 140 R N 0.560 121.072 120.500 0.021 0.000 2.081 140 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 140 R C 2.089 178.398 176.300 0.015 0.000 1.131 140 R CA 1.312 57.421 56.100 0.016 0.000 0.960 140 R CB -0.194 30.116 30.300 0.016 0.000 0.856 140 R HN 0.083 nan 8.270 nan 0.000 0.436 141 A N 0.738 123.572 122.820 0.023 0.000 2.251 141 A HA -0.015 4.305 4.320 -0.000 0.000 0.209 141 A C 0.132 177.727 177.584 0.018 0.000 1.187 141 A CA 0.387 52.437 52.037 0.022 0.000 0.823 141 A CB -0.001 19.022 19.000 0.038 0.000 0.846 141 A HN 0.400 nan 8.150 nan 0.000 0.486 142 D N -0.777 119.634 120.400 0.018 0.000 2.697 142 D HA -0.137 4.503 4.640 -0.000 0.000 0.238 142 D C 0.088 176.396 176.300 0.014 0.000 1.152 142 D CA 0.875 54.883 54.000 0.014 0.000 0.666 142 D CB -1.878 38.925 40.800 0.006 0.000 1.037 142 D HN 0.865 nan 8.370 nan 0.000 0.423 143 V N -2.410 117.519 119.914 0.025 0.000 2.743 143 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 143 V C 1.238 177.348 176.094 0.027 0.000 1.057 143 V CA -0.044 62.271 62.300 0.024 0.000 1.006 143 V CB 1.881 33.731 31.823 0.045 0.000 1.024 143 V HN 0.046 nan 8.190 nan 0.000 0.473 144 D N 2.010 122.419 120.400 0.015 0.000 2.305 144 D HA 0.377 5.017 4.640 -0.000 0.000 0.206 144 D C 0.651 176.979 176.300 0.047 0.000 0.974 144 D CA 1.595 55.609 54.000 0.024 0.000 0.871 144 D CB 1.093 41.895 40.800 0.003 0.000 0.947 144 D HN 0.950 nan 8.370 nan 0.000 0.516 145 A N -0.137 122.714 122.820 0.051 0.000 2.599 145 A HA 0.566 4.886 4.320 -0.000 0.000 0.290 145 A C -1.526 176.128 177.584 0.117 0.000 1.101 145 A CA -0.542 51.545 52.037 0.084 0.000 0.674 145 A CB 1.596 20.630 19.000 0.057 0.000 1.277 145 A HN -0.106 nan 8.150 nan 0.000 0.419 146 V N -0.106 119.905 119.914 0.161 0.000 2.656 146 V HA 0.597 4.717 4.120 -0.000 0.000 0.307 146 V C -1.311 174.897 176.094 0.190 0.000 1.051 146 V CA -0.210 62.214 62.300 0.207 0.000 0.893 146 V CB 1.813 33.784 31.823 0.245 0.000 0.999 146 V HN 0.946 nan 8.190 nan 0.000 0.426 147 W N 4.233 125.539 121.300 0.009 0.000 2.471 147 W HA 0.686 5.346 4.660 0.000 0.000 0.318 147 W C 0.302 176.795 176.519 -0.043 0.000 1.034 147 W CA -0.278 57.012 57.345 -0.091 0.000 1.224 147 W CB 2.029 31.459 29.460 -0.050 0.000 1.335 147 W HN 0.643 nan 8.180 nan 0.000 0.452 148 A N 4.891 127.371 122.820 -0.567 0.000 2.288 148 A HA 0.495 4.815 4.320 -0.000 0.000 0.216 148 A C 1.515 178.509 177.584 -0.982 0.000 1.199 148 A CA 0.879 52.646 52.037 -0.450 0.000 0.891 148 A CB -0.718 18.263 19.000 -0.031 0.000 0.923 148 A HN 1.498 nan 8.150 nan 0.000 0.500 149 G N -0.130 107.456 108.800 -2.023 0.000 2.602 149 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.310 149 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.310 149 G C 0.082 174.640 174.900 -0.569 0.000 1.183 149 G CA 1.083 45.066 45.100 -1.862 0.000 0.979 149 G HN 1.652 nan 8.290 nan 0.000 0.545 150 W N -0.719 120.402 121.300 -0.299 0.000 2.882 150 W HA 0.723 5.383 4.660 -0.000 0.000 0.345 150 W C 0.569 177.021 176.519 -0.110 0.000 1.125 150 W CA -0.522 56.748 57.345 -0.125 0.000 1.167 150 W CB 0.908 30.354 29.460 -0.025 0.000 1.431 150 W HN 2.423 nan 8.180 nan 0.000 0.543 151 G N 0.477 109.355 108.800 0.130 0.000 2.741 151 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.222 151 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.222 151 G C 0.034 174.898 174.900 -0.061 0.000 1.364 151 G CA 0.700 45.776 45.100 -0.039 0.000 0.866 151 G HN 1.546 nan 8.290 nan 0.000 0.555 152 H N -2.073 117.025 119.070 0.047 0.000 1.452 152 H HA -0.196 4.360 4.556 -0.000 0.000 0.090 152 H C 2.135 177.481 175.328 0.031 0.000 0.985 152 H CA 2.425 58.500 56.048 0.045 0.000 1.901 152 H CB -1.201 28.585 29.762 0.039 0.000 2.257 152 H HN 1.935 nan 8.280 nan 0.000 0.961 153 A N 0.723 123.654 122.820 0.185 0.000 2.379 153 A HA 0.221 4.541 4.320 -0.000 0.000 0.236 153 A C 1.924 179.542 177.584 0.057 0.000 1.272 153 A CA 0.698 52.784 52.037 0.081 0.000 0.886 153 A CB -0.341 18.689 19.000 0.049 0.000 0.962 153 A HN 0.594 nan 8.150 nan 0.000 0.504 154 S N 0.307 116.052 115.700 0.075 0.000 2.419 154 S HA -0.176 4.294 4.470 -0.000 0.000 0.235 154 S C 0.956 175.628 174.600 0.119 0.000 1.019 154 S CA 1.605 59.866 58.200 0.102 0.000 0.982 154 S CB -0.290 62.923 63.200 0.022 0.000 0.789 154 S HN 0.663 nan 8.310 nan 0.000 0.490 155 E N 0.913 121.152 120.200 0.065 0.000 2.558 155 E HA 0.231 4.581 4.350 -0.000 0.000 0.205 155 E C -0.458 176.142 176.600 0.000 0.000 1.006 155 E CA -0.337 56.094 56.400 0.051 0.000 0.961 155 E CB 0.143 29.877 29.700 0.057 0.000 1.044 155 E HN 0.343 nan 8.360 nan 0.000 0.465 156 N N 2.283 120.957 118.700 -0.042 0.000 2.462 156 N HA 0.076 4.816 4.740 -0.000 0.000 0.242 156 N C -1.615 173.801 175.510 -0.156 0.000 1.010 156 N CA -2.215 50.789 53.050 -0.076 0.000 0.939 156 N CB 1.194 39.644 38.487 -0.062 0.000 1.127 156 N HN -0.094 nan 8.380 nan 0.000 0.509 157 P HA -0.137 nan 4.420 nan 0.000 0.221 157 P C 1.363 178.545 177.300 -0.198 0.000 1.145 157 P CA 0.841 63.838 63.100 -0.171 0.000 0.795 157 P CB 0.523 32.160 31.700 -0.104 0.000 0.775 158 L N -1.513 119.618 121.223 -0.153 0.000 2.275 158 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 158 L C 2.546 179.311 176.870 -0.175 0.000 1.119 158 L CA 0.481 55.239 54.840 -0.136 0.000 0.790 158 L CB -0.773 41.232 42.059 -0.089 0.000 0.919 158 L HN 0.017 nan 8.230 nan 0.000 0.443 159 L N 1.274 122.346 121.223 -0.252 0.000 1.988 159 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 159 L C -0.387 176.254 176.870 -0.382 0.000 1.071 159 L CA 2.050 56.709 54.840 -0.302 0.000 0.744 159 L CB -1.598 40.235 42.059 -0.376 0.000 0.893 159 L HN 0.048 nan 8.230 nan 0.000 0.433 160 P HA -0.166 nan 4.420 nan 0.000 0.218 160 P C 1.197 178.372 177.300 -0.209 0.000 1.149 160 P CA 1.500 64.341 63.100 -0.432 0.000 0.817 160 P CB 0.061 31.458 31.700 -0.506 0.000 0.785 161 E N 0.643 120.710 120.200 -0.221 0.000 2.031 161 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 161 E C 2.152 178.697 176.600 -0.093 0.000 0.994 161 E CA 1.255 57.562 56.400 -0.154 0.000 0.800 161 E CB -0.287 29.325 29.700 -0.146 0.000 0.752 161 E HN 0.288 nan 8.360 nan 0.000 0.447 162 K N 0.455 120.802 120.400 -0.089 0.000 2.148 162 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 162 K C 2.177 178.761 176.600 -0.027 0.000 1.050 162 K CA 0.675 56.931 56.287 -0.052 0.000 0.942 162 K CB -0.036 32.434 32.500 -0.050 0.000 0.724 162 K HN 0.113 nan 8.250 nan 0.000 0.446 163 L N 0.892 122.098 121.223 -0.028 0.000 2.093 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 163 L C 2.593 179.483 176.870 0.033 0.000 1.085 163 L CA 1.424 56.275 54.840 0.017 0.000 0.755 163 L CB -0.486 41.603 42.059 0.051 0.000 0.904 163 L HN 0.263 nan 8.230 nan 0.000 0.435 164 S N -1.270 114.446 115.700 0.026 0.000 2.436 164 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 164 S C 1.801 176.418 174.600 0.029 0.000 1.014 164 S CA 0.465 58.695 58.200 0.050 0.000 0.950 164 S CB -0.188 63.058 63.200 0.078 0.000 0.784 164 S HN 0.443 nan 8.310 nan 0.000 0.504 165 Q N 1.427 121.232 119.800 0.007 0.000 2.369 165 Q HA 0.150 4.490 4.340 -0.000 0.000 0.206 165 Q C 1.055 177.058 176.000 0.005 0.000 0.963 165 Q CA 0.523 56.327 55.803 0.002 0.000 0.894 165 Q CB -0.049 28.681 28.738 -0.012 0.000 0.965 165 Q HN 0.593 nan 8.270 nan 0.000 0.475 166 S N 0.255 115.962 115.700 0.011 0.000 2.573 166 S HA -0.014 4.456 4.470 -0.000 0.000 0.277 166 S C 1.084 175.693 174.600 0.015 0.000 1.346 166 S CA -0.399 57.809 58.200 0.013 0.000 1.034 166 S CB 0.657 63.868 63.200 0.019 0.000 0.879 166 S HN 0.070 nan 8.310 nan 0.000 0.528 167 K N 2.414 122.821 120.400 0.012 0.000 2.283 167 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 167 K C 1.886 178.496 176.600 0.016 0.000 1.048 167 K CA 0.742 57.036 56.287 0.012 0.000 0.948 167 K CB -0.324 32.181 32.500 0.009 0.000 0.742 167 K HN 0.542 nan 8.250 nan 0.000 0.458 168 R N 1.903 122.415 120.500 0.020 0.000 2.276 168 R HA -0.006 4.334 4.340 -0.000 0.000 0.203 168 R C -0.295 176.025 176.300 0.033 0.000 1.017 168 R CA 0.481 56.596 56.100 0.025 0.000 1.010 168 R CB -0.359 29.957 30.300 0.027 0.000 0.900 168 R HN 0.040 nan 8.270 nan 0.000 0.469 169 K N -0.024 120.397 120.400 0.035 0.000 4.007 169 K HA -0.135 4.185 4.320 -0.000 0.000 0.279 169 K C -0.966 175.672 176.600 0.064 0.000 0.919 169 K CA 0.550 56.865 56.287 0.046 0.000 0.800 169 K CB -1.780 30.744 32.500 0.039 0.000 1.572 169 K HN -0.002 nan 8.250 nan 0.000 0.443 170 V N 2.692 122.647 119.914 0.070 0.000 2.530 170 V HA 0.220 4.340 4.120 -0.000 0.000 0.282 170 V C 1.110 177.279 176.094 0.125 0.000 1.048 170 V CA -0.400 61.952 62.300 0.088 0.000 0.997 170 V CB 1.051 32.924 31.823 0.084 0.000 0.987 170 V HN 0.277 nan 8.190 nan 0.000 0.477 171 I N 4.380 125.032 120.570 0.136 0.000 2.581 171 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 171 I C -0.364 175.887 176.117 0.223 0.000 1.047 171 I CA -0.111 61.295 61.300 0.177 0.000 1.374 171 I CB 0.949 39.033 38.000 0.140 0.000 1.423 171 I HN 0.539 nan 8.210 nan 0.000 0.549 172 F N 6.804 126.799 119.950 0.075 0.000 2.411 172 F HA 0.474 5.001 4.527 0.000 0.000 0.352 172 F C -0.033 175.792 175.800 0.042 0.000 1.123 172 F CA -0.880 57.149 58.000 0.047 0.000 1.044 172 F CB 0.685 39.697 39.000 0.020 0.000 1.135 172 F HN 0.187 nan 8.300 nan 0.000 0.461 173 I N 7.199 127.474 120.570 -0.491 0.000 2.270 173 I HA 0.453 4.623 4.170 -0.000 0.000 0.300 173 I C 0.608 176.289 176.117 -0.727 0.000 1.186 173 I CA 0.286 61.358 61.300 -0.381 0.000 1.431 173 I CB -0.857 37.111 38.000 -0.053 0.000 1.485 173 I HN 0.785 nan 8.210 nan 0.000 0.650 174 G N 6.724 115.163 108.800 -0.603 0.000 2.323 174 G HA2 0.219 4.179 3.960 -0.000 0.000 0.291 174 G HA3 0.219 4.179 3.960 -0.000 0.000 0.291 174 G C -3.291 171.543 174.900 -0.110 0.000 1.278 174 G CA -0.691 44.148 45.100 -0.435 0.000 0.860 174 G HN 0.130 nan 8.290 nan 0.000 0.504 175 P HA 0.330 nan 4.420 nan 0.000 0.274 175 P C -2.570 174.782 177.300 0.087 0.000 1.231 175 P CA -1.001 61.968 63.100 -0.218 0.000 0.790 175 P CB 1.100 32.416 31.700 -0.640 0.000 0.951 176 P HA 0.018 nan 4.420 nan 0.000 0.274 176 P C 1.206 178.456 177.300 -0.084 0.000 1.246 176 P CA 0.057 63.181 63.100 0.039 0.000 0.795 176 P CB 0.308 32.070 31.700 0.102 0.000 1.006 177 G N 1.693 110.374 108.800 -0.197 0.000 2.469 177 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 177 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 177 G C 1.353 176.191 174.900 -0.104 0.000 1.150 177 G CA 0.490 45.488 45.100 -0.170 0.000 0.763 177 G HN 0.485 nan 8.290 nan 0.000 0.561 178 N N 1.290 119.923 118.700 -0.112 0.000 2.149 178 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 178 N C 2.508 178.022 175.510 0.007 0.000 1.019 178 N CA 1.318 54.343 53.050 -0.042 0.000 0.857 178 N CB -0.452 38.019 38.487 -0.027 0.000 0.997 178 N HN 0.345 nan 8.380 nan 0.000 0.426 179 A N 1.363 124.194 122.820 0.018 0.000 1.877 179 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 179 A C 2.351 179.992 177.584 0.095 0.000 1.186 179 A CA 1.219 53.298 52.037 0.071 0.000 0.620 179 A CB -0.461 18.559 19.000 0.033 0.000 0.822 179 A HN 0.171 nan 8.150 nan 0.000 0.443 180 M N -1.108 118.527 119.600 0.059 0.000 2.086 180 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 180 M C 2.318 178.650 176.300 0.052 0.000 1.067 180 M CA 1.566 56.908 55.300 0.070 0.000 1.116 180 M CB -0.333 32.284 32.600 0.027 0.000 1.348 180 M HN 0.313 nan 8.290 nan 0.000 0.407 181 R N -0.458 120.056 120.500 0.023 0.000 2.189 181 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 181 R C 2.111 178.436 176.300 0.041 0.000 1.092 181 R CA 0.983 57.096 56.100 0.021 0.000 0.989 181 R CB -0.292 30.007 30.300 -0.001 0.000 0.876 181 R HN 0.270 nan 8.270 nan 0.000 0.457 182 S N 0.595 116.327 115.700 0.053 0.000 2.507 182 S HA 0.023 4.493 4.470 -0.000 0.000 0.235 182 S C 0.642 175.281 174.600 0.066 0.000 0.988 182 S CA 0.699 58.936 58.200 0.061 0.000 0.944 182 S CB 0.116 63.356 63.200 0.067 0.000 0.762 182 S HN 0.191 nan 8.310 nan 0.000 0.526 183 L N 1.442 122.709 121.223 0.074 0.000 2.408 183 L HA 0.415 4.755 4.340 -0.000 0.000 0.257 183 L C 1.025 177.938 176.870 0.071 0.000 1.053 183 L CA -0.794 54.093 54.840 0.079 0.000 0.922 183 L CB 0.911 43.033 42.059 0.105 0.000 1.261 183 L HN 0.165 nan 8.230 nan 0.000 0.458 184 G N 1.588 110.430 108.800 0.070 0.000 3.048 184 G HA2 0.032 3.992 3.960 -0.000 0.000 0.151 184 G HA3 0.032 3.992 3.960 -0.000 0.000 0.151 184 G C -0.009 174.929 174.900 0.064 0.000 1.803 184 G CA -0.050 45.090 45.100 0.067 0.000 1.047 184 G HN 0.608 nan 8.290 nan 0.000 0.513 185 D N -0.870 119.581 120.400 0.085 0.000 2.346 185 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 185 D C 1.350 177.651 176.300 0.001 0.000 1.308 185 D CA -0.280 53.763 54.000 0.070 0.000 0.987 185 D CB 0.468 41.346 40.800 0.131 0.000 1.114 185 D HN 0.232 nan 8.370 nan 0.000 0.529 186 K N -0.528 119.840 120.400 -0.054 0.000 2.147 186 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 186 K C 1.790 178.089 176.600 -0.503 0.000 1.049 186 K CA 1.231 57.377 56.287 -0.235 0.000 0.936 186 K CB -0.470 31.918 32.500 -0.187 0.000 0.722 186 K HN 0.613 nan 8.250 nan 0.000 0.446 187 I N -0.499 119.785 120.570 -0.476 0.000 2.133 187 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 187 I C 2.356 178.328 176.117 -0.242 0.000 1.074 187 I CA 1.361 62.345 61.300 -0.525 0.000 1.342 187 I CB -0.600 37.037 38.000 -0.605 0.000 1.053 187 I HN 0.205 nan 8.210 nan 0.000 0.404 188 S N 0.015 115.691 115.700 -0.040 0.000 2.370 188 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 188 S C 2.289 176.912 174.600 0.037 0.000 1.033 188 S CA 2.115 60.379 58.200 0.107 0.000 1.011 188 S CB -0.339 63.002 63.200 0.235 0.000 0.852 188 S HN 0.441 nan 8.310 nan 0.000 0.457 189 S N -0.090 115.612 115.700 0.004 0.000 2.370 189 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 189 S C 1.927 176.525 174.600 -0.004 0.000 1.033 189 S CA 2.179 60.398 58.200 0.030 0.000 1.011 189 S CB -0.988 62.261 63.200 0.083 0.000 0.852 189 S HN 0.731 nan 8.310 nan 0.000 0.457 190 T N 2.309 116.804 114.554 -0.100 0.000 2.777 190 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 190 T C 1.739 176.446 174.700 0.011 0.000 1.040 190 T CA 1.462 63.482 62.100 -0.134 0.000 1.141 190 T CB -0.367 68.124 68.868 -0.629 0.000 0.868 190 T HN 0.405 nan 8.240 nan 0.000 0.444 191 I N 0.869 121.493 120.570 0.089 0.000 2.226 191 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 191 I C 2.446 178.594 176.117 0.051 0.000 1.100 191 I CA 0.907 62.291 61.300 0.140 0.000 1.374 191 I CB -0.425 37.657 38.000 0.137 0.000 1.057 191 I HN 0.096 nan 8.210 nan 0.000 0.413 192 V N 0.995 120.914 119.914 0.008 0.000 2.343 192 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 192 V C 2.720 178.749 176.094 -0.107 0.000 1.051 192 V CA 1.974 64.257 62.300 -0.028 0.000 1.036 192 V CB -0.995 30.814 31.823 -0.024 0.000 0.654 192 V HN 0.495 nan 8.190 nan 0.000 0.451 193 A N -0.683 122.002 122.820 -0.224 0.000 1.902 193 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 193 A C 2.164 179.652 177.584 -0.161 0.000 1.181 193 A CA 1.912 53.712 52.037 -0.395 0.000 0.623 193 A CB -0.480 18.017 19.000 -0.840 0.000 0.818 193 A HN 0.639 nan 8.150 nan 0.000 0.443 194 Q N 0.018 119.792 119.800 -0.044 0.000 2.224 194 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 194 Q C 2.296 178.307 176.000 0.019 0.000 0.970 194 Q CA 1.546 57.369 55.803 0.033 0.000 0.865 194 Q CB -0.247 28.559 28.738 0.113 0.000 0.922 194 Q HN 0.851 nan 8.270 nan 0.000 0.445 195 S N -0.046 115.656 115.700 0.004 0.000 2.453 195 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 195 S C 1.741 176.339 174.600 -0.003 0.000 1.005 195 S CA 0.621 58.826 58.200 0.008 0.000 0.949 195 S CB 0.115 63.321 63.200 0.011 0.000 0.774 195 S HN 0.311 nan 8.310 nan 0.000 0.510 196 A N 1.000 123.806 122.820 -0.024 0.000 2.379 196 A HA 0.444 4.764 4.320 -0.000 0.000 0.236 196 A C 0.679 178.264 177.584 0.001 0.000 1.272 196 A CA -0.323 51.703 52.037 -0.019 0.000 0.886 196 A CB -0.562 18.407 19.000 -0.051 0.000 0.962 196 A HN 0.493 nan 8.150 nan 0.000 0.504 197 K N -0.922 119.485 120.400 0.010 0.000 3.125 197 K HA -0.117 4.203 4.320 -0.000 0.000 0.268 197 K C -0.682 175.950 176.600 0.053 0.000 1.078 197 K CA 0.631 56.937 56.287 0.031 0.000 0.775 197 K CB -2.169 30.351 32.500 0.033 0.000 1.253 197 K HN 0.263 nan 8.250 nan 0.000 0.486 198 V N 0.960 120.901 119.914 0.046 0.000 2.383 198 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 198 V C -1.821 174.358 176.094 0.140 0.000 1.036 198 V CA -1.813 60.558 62.300 0.119 0.000 0.889 198 V CB 1.228 33.071 31.823 0.032 0.000 0.985 198 V HN 0.031 nan 8.190 nan 0.000 0.459 199 P HA 0.226 nan 4.420 nan 0.000 0.268 199 P C -0.664 176.805 177.300 0.281 0.000 1.204 199 P CA -0.014 63.135 63.100 0.082 0.000 0.768 199 P CB 0.381 31.923 31.700 -0.264 0.000 0.842 200 C N 3.249 122.750 119.300 0.336 0.000 2.779 200 C HA 0.472 4.932 4.460 -0.000 0.000 0.314 200 C C 0.482 175.669 174.990 0.328 0.000 1.231 200 C CA -0.722 58.515 59.018 0.364 0.000 1.652 200 C CB 1.144 29.025 27.740 0.236 0.000 2.198 200 C HN 0.516 nan 8.230 nan 0.000 0.483 201 I N 3.106 123.724 120.570 0.080 0.000 2.710 201 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 201 I C -1.987 174.162 176.117 0.053 0.000 1.181 201 I CA -0.799 60.361 61.300 -0.232 0.000 1.430 201 I CB 0.199 38.058 38.000 -0.235 0.000 1.367 201 I HN 0.356 nan 8.210 nan 0.000 0.577 202 P HA -0.075 nan 4.420 nan 0.000 0.260 202 P C -0.936 176.538 177.300 0.289 0.000 1.172 202 P CA 0.492 63.681 63.100 0.149 0.000 0.760 202 P CB 0.221 31.938 31.700 0.028 0.000 0.773 203 W N 0.967 122.265 121.300 -0.002 0.000 2.961 203 W HA 0.270 4.930 4.660 0.000 0.000 0.368 203 W C 0.594 177.134 176.519 0.036 0.000 1.213 203 W CA -0.662 56.708 57.345 0.043 0.000 1.173 203 W CB -0.133 29.384 29.460 0.094 0.000 1.487 203 W HN 0.307 nan 8.180 nan 0.000 0.585 204 S N -0.021 115.676 115.700 -0.005 0.000 2.440 204 S HA -0.015 4.455 4.470 -0.000 0.000 0.238 204 S C 1.439 175.578 174.600 -0.770 0.000 1.010 204 S CA 1.587 59.633 58.200 -0.256 0.000 0.972 204 S CB -0.731 62.466 63.200 -0.006 0.000 0.774 204 S HN 0.928 nan 8.310 nan 0.000 0.501 205 G N 0.669 108.280 108.800 -1.982 0.000 3.337 205 G HA2 0.282 4.242 3.960 -0.000 0.000 0.246 205 G HA3 0.282 4.242 3.960 -0.000 0.000 0.246 205 G C 0.102 174.108 174.900 -1.490 0.000 1.131 205 G CA -0.425 43.374 45.100 -2.167 0.000 0.773 205 G HN 0.397 nan 8.290 nan 0.000 0.544 206 T N 0.727 114.569 114.554 -1.186 0.000 2.933 206 T HA 0.369 4.719 4.350 -0.000 0.000 0.306 206 T C 1.626 176.202 174.700 -0.206 0.000 1.045 206 T CA 1.572 63.470 62.100 -0.337 0.000 1.143 206 T CB 0.776 69.565 68.868 -0.132 0.000 1.003 206 T HN 0.953 nan 8.240 nan 0.000 0.540 207 G N 2.162 110.932 108.800 -0.050 0.000 2.253 207 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 207 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 207 G C 0.266 175.140 174.900 -0.044 0.000 0.998 207 G CA -0.008 45.067 45.100 -0.042 0.000 0.621 207 G HN 0.799 nan 8.290 nan 0.000 0.524 208 V N 2.550 122.418 119.914 -0.077 0.000 2.405 208 V HA 0.480 4.600 4.120 -0.000 0.000 0.264 208 V C 0.438 176.550 176.094 0.029 0.000 1.048 208 V CA 0.756 63.027 62.300 -0.049 0.000 0.966 208 V CB 1.224 32.978 31.823 -0.114 0.000 1.015 208 V HN 0.543 nan 8.190 nan 0.000 0.477 209 D N 1.540 121.956 120.400 0.028 0.000 2.692 209 D HA 0.078 4.718 4.640 -0.000 0.000 0.290 209 D C 0.185 176.508 176.300 0.038 0.000 1.455 209 D CA -0.255 53.771 54.000 0.042 0.000 0.796 209 D CB 0.190 41.011 40.800 0.036 0.000 1.131 209 D HN 0.383 nan 8.370 nan 0.000 0.467 210 T N 0.888 115.467 114.554 0.042 0.000 2.744 210 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 210 T C 0.265 175.005 174.700 0.066 0.000 0.957 210 T CA -0.561 61.567 62.100 0.047 0.000 1.002 210 T CB 1.624 70.519 68.868 0.044 0.000 0.919 210 T HN 0.223 nan 8.240 nan 0.000 0.468 211 V N 0.801 120.754 119.914 0.065 0.000 3.074 211 V HA 0.641 4.761 4.120 -0.000 0.000 0.314 211 V C -0.730 175.428 176.094 0.107 0.000 1.117 211 V CA -1.042 61.310 62.300 0.086 0.000 1.014 211 V CB 2.198 34.057 31.823 0.060 0.000 1.057 211 V HN 0.903 nan 8.190 nan 0.000 0.438 212 H N 1.266 120.355 119.070 0.031 0.000 2.466 212 H HA 0.739 5.295 4.556 0.000 0.000 0.338 212 H C -1.785 173.556 175.328 0.022 0.000 1.091 212 H CA -0.453 55.609 56.048 0.024 0.000 1.207 212 H CB 2.072 31.847 29.762 0.023 0.000 1.466 212 H HN 0.646 nan 8.280 nan 0.000 0.493 213 V N 5.862 125.480 119.914 -0.493 0.000 2.409 213 V HA 0.029 4.149 4.120 -0.000 0.000 0.291 213 V C 0.322 176.181 176.094 -0.392 0.000 1.020 213 V CA -0.944 61.183 62.300 -0.288 0.000 0.848 213 V CB 1.459 33.191 31.823 -0.151 0.000 0.990 213 V HN 0.771 nan 8.190 nan 0.000 0.430 214 D N 3.780 124.093 120.400 -0.146 0.000 2.382 214 D HA 0.042 4.682 4.640 -0.000 0.000 0.259 214 D C 1.019 177.288 176.300 -0.051 0.000 1.224 214 D CA 0.141 54.120 54.000 -0.034 0.000 0.894 214 D CB 1.189 42.025 40.800 0.060 0.000 1.127 214 D HN 0.671 nan 8.370 nan 0.000 0.487 215 E N 2.512 122.681 120.200 -0.052 0.000 2.409 215 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 215 E C 1.314 177.902 176.600 -0.020 0.000 1.024 215 E CA 0.602 56.979 56.400 -0.038 0.000 0.861 215 E CB 0.493 30.174 29.700 -0.031 0.000 0.788 215 E HN 0.350 nan 8.360 nan 0.000 0.521 216 K N -0.299 120.095 120.400 -0.010 0.000 2.121 216 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 216 K C 2.318 178.907 176.600 -0.019 0.000 1.041 216 K CA 1.577 57.856 56.287 -0.013 0.000 0.969 216 K CB -0.389 32.108 32.500 -0.004 0.000 0.799 216 K HN 0.194 nan 8.250 nan 0.000 0.456 217 T N -3.037 111.513 114.554 -0.006 0.000 3.037 217 T HA 0.206 4.556 4.350 -0.000 0.000 0.252 217 T C 1.440 176.143 174.700 0.005 0.000 1.073 217 T CA 0.859 62.959 62.100 0.000 0.000 1.091 217 T CB 0.361 69.236 68.868 0.012 0.000 0.935 217 T HN 0.327 nan 8.240 nan 0.000 0.488 218 G N 1.189 109.990 108.800 0.000 0.000 2.179 218 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 218 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 218 G C -0.052 174.857 174.900 0.016 0.000 0.977 218 G CA 0.081 45.184 45.100 0.004 0.000 0.641 218 G HN 0.788 nan 8.290 nan 0.000 0.533 219 L N 1.817 123.053 121.223 0.022 0.000 2.513 219 L HA 0.516 4.856 4.340 -0.000 0.000 0.272 219 L C 0.577 177.474 176.870 0.046 0.000 1.187 219 L CA -0.032 54.829 54.840 0.035 0.000 0.895 219 L CB 0.953 43.035 42.059 0.037 0.000 1.147 219 L HN 0.139 nan 8.230 nan 0.000 0.483 220 V N 5.721 125.664 119.914 0.049 0.000 2.439 220 V HA 0.699 4.819 4.120 -0.000 0.000 0.282 220 V C 0.301 176.445 176.094 0.083 0.000 1.039 220 V CA 0.148 62.482 62.300 0.057 0.000 0.913 220 V CB 1.048 32.898 31.823 0.044 0.000 0.983 220 V HN 1.037 nan 8.190 nan 0.000 0.460 221 S N 3.544 119.316 115.700 0.119 0.000 2.685 221 S HA 0.848 5.318 4.470 -0.000 0.000 0.282 221 S C -1.141 173.539 174.600 0.133 0.000 1.159 221 S CA -0.831 57.439 58.200 0.117 0.000 0.833 221 S CB 2.121 65.386 63.200 0.108 0.000 1.151 221 S HN 0.387 nan 8.310 nan 0.000 0.485 222 V N 2.051 122.040 119.914 0.125 0.000 2.483 222 V HA 0.409 4.529 4.120 -0.000 0.000 0.297 222 V C -0.979 175.179 176.094 0.107 0.000 1.027 222 V CA -0.803 61.584 62.300 0.144 0.000 0.855 222 V CB 1.503 33.453 31.823 0.211 0.000 0.995 222 V HN 0.920 nan 8.190 nan 0.000 0.424 223 D N 2.659 123.108 120.400 0.081 0.000 2.423 223 D HA -0.015 4.625 4.640 -0.000 0.000 0.238 223 D C 0.958 177.294 176.300 0.060 0.000 1.142 223 D CA 0.272 54.290 54.000 0.029 0.000 0.884 223 D CB 1.138 41.948 40.800 0.017 0.000 1.199 223 D HN 0.768 nan 8.370 nan 0.000 0.438 224 D N 0.749 121.155 120.400 0.010 0.000 2.149 224 D HA -0.207 4.433 4.640 -0.000 0.000 0.198 224 D C 1.191 177.544 176.300 0.088 0.000 0.990 224 D CA 1.745 55.758 54.000 0.021 0.000 0.839 224 D CB 0.152 40.930 40.800 -0.036 0.000 0.948 224 D HN 0.559 nan 8.370 nan 0.000 0.460 225 D N -0.363 120.072 120.400 0.058 0.000 2.178 225 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 225 D C 1.803 178.147 176.300 0.074 0.000 0.980 225 D CA 0.746 54.781 54.000 0.057 0.000 0.842 225 D CB -0.092 40.728 40.800 0.033 0.000 0.948 225 D HN 0.251 nan 8.370 nan 0.000 0.472 226 I N -0.313 120.311 120.570 0.091 0.000 2.400 226 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 226 I C 2.116 178.307 176.117 0.123 0.000 1.109 226 I CA 0.667 62.018 61.300 0.086 0.000 1.425 226 I CB -1.237 36.815 38.000 0.087 0.000 1.094 226 I HN 0.074 nan 8.210 nan 0.000 0.425 227 Y N 2.625 122.945 120.300 0.034 0.000 2.165 227 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 227 Y C 2.588 178.517 175.900 0.049 0.000 1.155 227 Y CA 1.745 59.876 58.100 0.052 0.000 1.164 227 Y CB -0.154 38.337 38.460 0.052 0.000 0.978 227 Y HN 0.199 nan 8.280 nan 0.000 0.513 228 Q N 0.546 120.517 119.800 0.285 0.000 2.364 228 Q HA -0.153 4.186 4.340 -0.000 0.000 0.207 228 Q C 1.870 177.904 176.000 0.056 0.000 0.970 228 Q CA 1.301 57.216 55.803 0.186 0.000 0.888 228 Q CB -0.256 28.571 28.738 0.149 0.000 0.951 228 Q HN 0.582 nan 8.270 nan 0.000 0.469 229 K N -0.428 119.976 120.400 0.007 0.000 2.280 229 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 229 K C 1.684 178.190 176.600 -0.156 0.000 1.047 229 K CA 1.071 57.320 56.287 -0.063 0.000 0.942 229 K CB 0.011 32.467 32.500 -0.074 0.000 0.739 229 K HN 0.192 nan 8.250 nan 0.000 0.457 230 G N -0.097 108.587 108.800 -0.193 0.000 3.126 230 G HA2 0.044 4.004 3.960 -0.000 0.000 0.224 230 G HA3 0.044 4.004 3.960 -0.000 0.000 0.224 230 G C 0.119 174.975 174.900 -0.072 0.000 1.142 230 G CA -0.364 44.535 45.100 -0.336 0.000 0.759 230 G HN 0.142 nan 8.290 nan 0.000 0.550 231 C N -0.361 118.945 119.300 0.011 0.000 2.349 231 C HA 0.646 5.106 4.460 -0.000 0.000 0.361 231 C C 0.569 175.637 174.990 0.130 0.000 1.189 231 C CA -0.854 58.242 59.018 0.130 0.000 2.155 231 C CB 1.196 29.039 27.740 0.172 0.000 2.336 231 C HN 0.350 nan 8.230 nan 0.000 0.540 232 C N 1.489 120.904 119.300 0.191 0.000 2.341 232 C HA 0.475 4.935 4.460 -0.000 0.000 0.338 232 C C 1.826 176.917 174.990 0.170 0.000 1.257 232 C CA -0.303 58.833 59.018 0.196 0.000 1.883 232 C CB 0.692 28.640 27.740 0.347 0.000 2.334 232 C HN 1.047 nan 8.230 nan 0.000 0.524 233 T N -1.332 113.285 114.554 0.104 0.000 3.065 233 T HA 0.187 4.537 4.350 -0.000 0.000 0.252 233 T C 0.459 175.195 174.700 0.060 0.000 1.099 233 T CA 0.619 62.767 62.100 0.079 0.000 1.063 233 T CB -0.111 68.784 68.868 0.046 0.000 0.948 233 T HN 0.958 nan 8.240 nan 0.000 0.506 234 S N -0.603 115.109 115.700 0.020 0.000 2.627 234 S HA 0.447 4.917 4.470 -0.000 0.000 0.268 234 S C -2.943 171.414 174.600 -0.405 0.000 1.130 234 S CA -1.065 57.076 58.200 -0.098 0.000 0.819 234 S CB 1.229 64.389 63.200 -0.067 0.000 1.100 234 S HN -0.150 nan 8.310 nan 0.000 0.465 235 P HA -0.055 nan 4.420 nan 0.000 0.215 235 P C 1.409 178.501 177.300 -0.347 0.000 1.153 235 P CA 1.506 63.923 63.100 -1.138 0.000 0.853 235 P CB 0.076 31.359 31.700 -0.696 0.000 0.788 236 E N -0.398 119.690 120.200 -0.186 0.000 2.058 236 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 236 E C 1.805 178.346 176.600 -0.099 0.000 0.997 236 E CA 1.524 57.871 56.400 -0.089 0.000 0.801 236 E CB -0.484 29.183 29.700 -0.055 0.000 0.746 236 E HN 0.087 nan 8.360 nan 0.000 0.450 237 D N -0.801 119.547 120.400 -0.088 0.000 2.149 237 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 237 D C 1.881 178.158 176.300 -0.039 0.000 0.990 237 D CA 1.605 55.574 54.000 -0.052 0.000 0.839 237 D CB -0.495 40.294 40.800 -0.018 0.000 0.948 237 D HN 0.273 nan 8.370 nan 0.000 0.460 238 G N 0.117 108.924 108.800 0.013 0.000 2.422 238 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 238 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 238 G C 1.516 176.300 174.900 -0.194 0.000 1.146 238 G CA 0.855 46.074 45.100 0.199 0.000 0.769 238 G HN 0.357 nan 8.290 nan 0.000 0.547 239 L N 1.170 122.099 121.223 -0.490 0.000 2.056 239 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 239 L C 3.126 179.720 176.870 -0.460 0.000 1.078 239 L CA 2.574 56.841 54.840 -0.955 0.000 0.749 239 L CB -0.824 40.934 42.059 -0.501 0.000 0.901 239 L HN 0.592 nan 8.230 nan 0.000 0.433 240 Q N -0.848 118.804 119.800 -0.246 0.000 2.084 240 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 240 Q C 2.095 177.997 176.000 -0.163 0.000 0.978 240 Q CA 1.888 57.597 55.803 -0.157 0.000 0.844 240 Q CB -0.570 28.109 28.738 -0.100 0.000 0.898 240 Q HN 0.452 nan 8.270 nan 0.000 0.426 241 K N 0.820 121.125 120.400 -0.157 0.000 2.026 241 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 241 K C 2.314 178.801 176.600 -0.189 0.000 1.048 241 K CA 1.327 57.536 56.287 -0.129 0.000 0.929 241 K CB -0.336 32.128 32.500 -0.061 0.000 0.713 241 K HN 0.358 nan 8.250 nan 0.000 0.439 242 A N 1.768 124.408 122.820 -0.300 0.000 1.940 242 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 242 A C 1.904 179.147 177.584 -0.567 0.000 1.176 242 A CA 1.582 53.332 52.037 -0.478 0.000 0.631 242 A CB -0.322 18.272 19.000 -0.678 0.000 0.814 242 A HN 0.202 nan 8.150 nan 0.000 0.446 243 K N -0.655 119.538 120.400 -0.345 0.000 2.032 243 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 243 K C 2.369 178.890 176.600 -0.132 0.000 1.048 243 K CA 1.555 57.752 56.287 -0.150 0.000 0.927 243 K CB -0.205 32.266 32.500 -0.049 0.000 0.712 243 K HN 0.432 nan 8.250 nan 0.000 0.441 244 R N 0.549 120.971 120.500 -0.131 0.000 2.073 244 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 244 R C 2.398 178.638 176.300 -0.101 0.000 1.134 244 R CA 1.341 57.385 56.100 -0.094 0.000 0.952 244 R CB -0.475 29.774 30.300 -0.085 0.000 0.850 244 R HN 0.197 nan 8.270 nan 0.000 0.433 245 I N 0.185 120.672 120.570 -0.138 0.000 2.208 245 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 245 I C 0.928 176.966 176.117 -0.130 0.000 1.097 245 I CA 1.238 62.465 61.300 -0.121 0.000 1.363 245 I CB -0.482 37.442 38.000 -0.127 0.000 1.051 245 I HN 0.412 nan 8.210 nan 0.000 0.413 246 G N 0.472 109.143 108.800 -0.215 0.000 3.209 246 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 246 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 246 G C -0.508 174.284 174.900 -0.180 0.000 1.065 246 G CA -0.991 44.025 45.100 -0.139 0.000 0.812 246 G HN 0.010 nan 8.290 nan 0.000 0.573 247 F N 3.274 123.235 119.950 0.018 0.000 2.450 247 F HA 0.510 5.037 4.527 -0.000 0.000 0.339 247 F C -0.206 175.611 175.800 0.028 0.000 1.146 247 F CA -0.800 57.221 58.000 0.034 0.000 1.267 247 F CB 0.545 39.569 39.000 0.039 0.000 1.178 247 F HN 0.458 nan 8.300 nan 0.000 0.585 248 P HA 0.379 nan 4.420 nan 0.000 0.276 248 P C -1.110 176.264 177.300 0.124 0.000 1.244 248 P CA -0.262 62.996 63.100 0.263 0.000 0.801 248 P CB 1.655 33.457 31.700 0.171 0.000 1.006 249 V N -1.708 118.296 119.914 0.150 0.000 3.158 249 V HA 0.707 4.827 4.120 -0.000 0.000 0.311 249 V C -0.581 175.564 176.094 0.084 0.000 1.181 249 V CA -1.069 61.260 62.300 0.049 0.000 1.054 249 V CB 2.250 34.039 31.823 -0.056 0.000 1.085 249 V HN 0.310 nan 8.190 nan 0.000 0.446 250 M N 2.361 121.981 119.600 0.033 0.000 2.321 250 M HA 0.604 5.084 4.480 -0.000 0.000 0.315 250 M C -0.900 175.342 176.300 -0.098 0.000 1.052 250 M CA -0.447 54.837 55.300 -0.027 0.000 0.936 250 M CB 1.408 33.978 32.600 -0.050 0.000 1.639 250 M HN 0.630 nan 8.290 nan 0.000 0.433 251 I N 3.598 124.075 120.570 -0.156 0.000 2.321 251 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 251 I C -0.081 175.802 176.117 -0.389 0.000 0.998 251 I CA -0.435 60.706 61.300 -0.265 0.000 1.227 251 I CB 0.926 38.729 38.000 -0.327 0.000 1.368 251 I HN 0.511 nan 8.210 nan 0.000 0.466 252 K N 5.459 125.488 120.400 -0.619 0.000 2.443 252 K HA 0.681 5.001 4.320 -0.000 0.000 0.252 252 K C -0.903 175.422 176.600 -0.459 0.000 0.933 252 K CA -0.747 55.171 56.287 -0.615 0.000 0.792 252 K CB 2.533 34.515 32.500 -0.864 0.000 1.185 252 K HN 0.625 nan 8.250 nan 0.000 0.425 253 A N 1.501 124.197 122.820 -0.208 0.000 2.354 253 A HA 0.170 4.490 4.320 -0.000 0.000 0.281 253 A C 1.229 178.870 177.584 0.094 0.000 1.174 253 A CA -0.286 51.718 52.037 -0.055 0.000 0.828 253 A CB 0.225 19.189 19.000 -0.060 0.000 1.099 253 A HN 0.876 nan 8.150 nan 0.000 0.516 254 S N 1.943 117.789 115.700 0.244 0.000 2.419 254 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 254 S C 0.989 175.694 174.600 0.175 0.000 1.016 254 S CA 1.702 60.084 58.200 0.303 0.000 0.974 254 S CB -0.294 63.107 63.200 0.335 0.000 0.786 254 S HN 0.796 nan 8.310 nan 0.000 0.492 255 E N 1.303 121.578 120.200 0.124 0.000 2.489 255 E HA 0.228 4.578 4.350 -0.000 0.000 0.193 255 E C 1.109 177.738 176.600 0.049 0.000 1.057 255 E CA 0.071 56.518 56.400 0.079 0.000 0.866 255 E CB 0.095 29.832 29.700 0.062 0.000 0.916 255 E HN 0.663 nan 8.360 nan 0.000 0.500 256 G N 0.305 109.131 108.800 0.043 0.000 2.557 256 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 256 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 256 G C 0.204 175.115 174.900 0.018 0.000 1.237 256 G CA -0.229 44.881 45.100 0.017 0.000 0.978 256 G HN 0.153 nan 8.290 nan 0.000 0.498 257 G N -1.731 107.071 108.800 0.004 0.000 2.537 257 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 257 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 257 G C 1.053 175.950 174.900 -0.004 0.000 1.310 257 G CA 0.136 45.236 45.100 -0.001 0.000 1.027 257 G HN 1.012 nan 8.290 nan 0.000 0.505 258 G N -1.527 107.264 108.800 -0.016 0.000 2.882 258 G HA2 0.307 4.267 3.960 -0.000 0.000 0.206 258 G HA3 0.307 4.267 3.960 -0.000 0.000 0.206 258 G C 0.991 175.906 174.900 0.025 0.000 1.155 258 G CA 1.174 46.266 45.100 -0.014 0.000 0.800 258 G HN 0.952 nan 8.290 nan 0.000 0.524 259 G N -0.473 108.335 108.800 0.015 0.000 2.775 259 G HA2 0.205 4.165 3.960 -0.000 0.000 0.198 259 G HA3 0.205 4.165 3.960 -0.000 0.000 0.198 259 G C 0.607 175.505 174.900 -0.003 0.000 1.121 259 G CA -0.286 44.825 45.100 0.018 0.000 0.686 259 G HN 0.329 nan 8.290 nan 0.000 0.782 260 K N 0.215 120.608 120.400 -0.010 0.000 2.098 260 K HA 0.501 4.821 4.320 -0.000 0.000 0.258 260 K C 0.721 177.300 176.600 -0.035 0.000 0.973 260 K CA -0.021 56.253 56.287 -0.021 0.000 0.898 260 K CB 1.802 34.293 32.500 -0.016 0.000 1.057 260 K HN 0.375 nan 8.250 nan 0.000 0.447 261 G N 1.587 110.355 108.800 -0.053 0.000 2.147 261 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 261 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 261 G C -0.124 174.703 174.900 -0.121 0.000 1.005 261 G CA -0.091 44.959 45.100 -0.082 0.000 0.713 261 G HN 0.487 nan 8.290 nan 0.000 0.515 262 I N -0.372 120.135 120.570 -0.104 0.000 2.647 262 I HA 0.701 4.871 4.170 -0.000 0.000 0.295 262 I C -0.218 175.836 176.117 -0.105 0.000 1.078 262 I CA -1.140 60.086 61.300 -0.124 0.000 1.048 262 I CB 2.110 40.060 38.000 -0.084 0.000 1.239 262 I HN -0.101 nan 8.210 nan 0.000 0.421 263 R N 4.574 125.001 120.500 -0.122 0.000 2.548 263 R HA 0.372 4.712 4.340 -0.000 0.000 0.280 263 R C -1.350 174.913 176.300 -0.062 0.000 1.061 263 R CA -0.823 55.223 56.100 -0.089 0.000 0.915 263 R CB 2.394 32.626 30.300 -0.113 0.000 1.210 263 R HN 0.625 nan 8.270 nan 0.000 0.442 264 Q N 1.561 121.349 119.800 -0.020 0.000 2.261 264 Q HA 0.473 4.813 4.340 -0.000 0.000 0.252 264 Q C -0.348 175.686 176.000 0.058 0.000 0.915 264 Q CA -0.660 55.156 55.803 0.022 0.000 0.915 264 Q CB 2.206 30.961 28.738 0.028 0.000 1.204 264 Q HN 0.200 nan 8.270 nan 0.000 0.421 265 V N 2.712 122.711 119.914 0.141 0.000 2.444 265 V HA 0.115 4.235 4.120 -0.000 0.000 0.294 265 V C 0.503 176.769 176.094 0.287 0.000 1.022 265 V CA -0.504 61.932 62.300 0.226 0.000 0.850 265 V CB 1.554 33.630 31.823 0.420 0.000 0.992 265 V HN 0.795 nan 8.190 nan 0.000 0.426 266 E N 3.175 123.455 120.200 0.134 0.000 2.127 266 E HA 0.170 4.520 4.350 -0.000 0.000 0.191 266 E C 0.525 177.071 176.600 -0.090 0.000 0.964 266 E CA 0.556 57.006 56.400 0.083 0.000 0.832 266 E CB 0.575 30.295 29.700 0.033 0.000 0.790 266 E HN 0.590 nan 8.360 nan 0.000 0.465 267 R N 0.242 120.606 120.500 -0.227 0.000 2.854 267 R HA 0.339 4.679 4.340 -0.000 0.000 0.271 267 R C 0.984 176.895 176.300 -0.648 0.000 0.996 267 R CA -0.424 55.411 56.100 -0.443 0.000 0.961 267 R CB 1.298 31.473 30.300 -0.209 0.000 1.182 267 R HN -0.084 nan 8.270 nan 0.000 0.479 268 E N 1.512 121.271 120.200 -0.735 0.000 2.077 268 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 268 E C 1.181 177.717 176.600 -0.106 0.000 0.989 268 E CA 1.314 57.440 56.400 -0.458 0.000 0.800 268 E CB 0.192 29.732 29.700 -0.267 0.000 0.746 268 E HN 0.552 nan 8.360 nan 0.000 0.452 269 E N 0.950 121.092 120.200 -0.096 0.000 2.463 269 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 269 E C 0.528 177.140 176.600 0.021 0.000 1.045 269 E CA 0.833 57.222 56.400 -0.018 0.000 0.872 269 E CB 0.002 29.685 29.700 -0.030 0.000 0.797 269 E HN 0.305 nan 8.360 nan 0.000 0.538 270 D N -0.346 120.067 120.400 0.022 0.000 2.392 270 D HA 0.056 4.696 4.640 -0.000 0.000 0.206 270 D C 1.342 177.711 176.300 0.116 0.000 1.046 270 D CA -0.184 53.846 54.000 0.049 0.000 0.865 270 D CB -0.320 40.490 40.800 0.016 0.000 0.969 270 D HN 0.102 nan 8.370 nan 0.000 0.509 271 F N 2.327 122.306 119.950 0.050 0.000 2.025 271 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 271 F C 2.097 177.990 175.800 0.154 0.000 1.132 271 F CA 1.457 59.542 58.000 0.141 0.000 1.191 271 F CB -0.070 39.052 39.000 0.205 0.000 0.963 271 F HN -0.192 nan 8.300 nan 0.000 0.481 272 I N 0.847 121.626 120.570 0.348 0.000 2.118 272 I HA -0.363 3.807 4.170 -0.000 0.000 0.241 272 I C 2.761 179.011 176.117 0.221 0.000 1.070 272 I CA 1.743 63.192 61.300 0.248 0.000 1.327 272 I CB -2.253 35.885 38.000 0.229 0.000 1.034 272 I HN 0.295 nan 8.210 nan 0.000 0.405 273 A N 0.775 123.694 122.820 0.165 0.000 1.908 273 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 273 A C 2.408 180.053 177.584 0.101 0.000 1.181 273 A CA 1.417 53.538 52.037 0.141 0.000 0.627 273 A CB -0.868 18.174 19.000 0.069 0.000 0.818 273 A HN 0.442 nan 8.150 nan 0.000 0.445 274 L N -2.289 118.941 121.223 0.013 0.000 2.217 274 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 274 L C 2.511 179.309 176.870 -0.119 0.000 1.107 274 L CA 1.223 56.027 54.840 -0.059 0.000 0.783 274 L CB -0.502 41.500 42.059 -0.095 0.000 0.919 274 L HN 0.589 nan 8.230 nan 0.000 0.442 275 Y N 0.410 120.512 120.300 -0.331 0.000 2.181 275 Y HA -0.288 4.262 4.550 0.000 0.000 0.288 275 Y C 2.582 178.335 175.900 -0.244 0.000 1.146 275 Y CA 1.852 59.713 58.100 -0.398 0.000 1.164 275 Y CB -0.259 37.903 38.460 -0.498 0.000 0.982 275 Y HN 0.187 nan 8.280 nan 0.000 0.515 276 H N -0.687 118.477 119.070 0.156 0.000 2.357 276 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 276 H C 2.251 177.577 175.328 -0.003 0.000 1.082 276 H CA 1.899 58.010 56.048 0.104 0.000 1.342 276 H CB -0.100 29.715 29.762 0.088 0.000 1.389 276 H HN 0.420 nan 8.280 nan 0.000 0.511 277 Q N -0.138 119.715 119.800 0.088 0.000 2.096 277 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 277 Q C 2.539 178.513 176.000 -0.043 0.000 0.982 277 Q CA 1.215 57.028 55.803 0.017 0.000 0.850 277 Q CB -0.074 28.662 28.738 -0.003 0.000 0.901 277 Q HN 0.531 nan 8.270 nan 0.000 0.422 278 A N 0.886 123.637 122.820 -0.115 0.000 1.855 278 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 278 A C 2.292 179.779 177.584 -0.162 0.000 1.191 278 A CA 1.476 53.414 52.037 -0.165 0.000 0.613 278 A CB -0.845 17.994 19.000 -0.267 0.000 0.829 278 A HN 0.399 nan 8.150 nan 0.000 0.442 279 A N 0.388 123.081 122.820 -0.212 0.000 1.908 279 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 279 A C 1.866 179.423 177.584 -0.045 0.000 1.181 279 A CA 1.783 53.728 52.037 -0.153 0.000 0.627 279 A CB -0.961 17.943 19.000 -0.161 0.000 0.818 279 A HN 0.735 nan 8.150 nan 0.000 0.445 280 N N -0.525 118.171 118.700 -0.006 0.000 2.309 280 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 280 N C 1.496 177.006 175.510 0.000 0.000 1.018 280 N CA 1.019 54.081 53.050 0.019 0.000 0.876 280 N CB -0.135 38.378 38.487 0.043 0.000 0.972 280 N HN 0.629 nan 8.380 nan 0.000 0.434 281 E N 0.287 120.476 120.200 -0.018 0.000 2.204 281 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 281 E C 0.105 176.696 176.600 -0.015 0.000 0.989 281 E CA 0.676 57.065 56.400 -0.018 0.000 0.824 281 E CB 0.376 30.058 29.700 -0.029 0.000 0.756 281 E HN 0.321 nan 8.360 nan 0.000 0.477 282 I N 2.138 122.697 120.570 -0.019 0.000 2.862 282 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 282 I C -2.492 173.624 176.117 -0.001 0.000 1.339 282 I CA -2.467 58.828 61.300 -0.008 0.000 1.002 282 I CB 0.211 38.205 38.000 -0.010 0.000 1.618 282 I HN -0.215 nan 8.210 nan 0.000 0.593 283 P HA 0.003 nan 4.420 nan 0.000 0.261 283 P C 1.041 178.354 177.300 0.022 0.000 1.173 283 P CA 1.260 64.370 63.100 0.017 0.000 0.760 283 P CB 0.853 32.564 31.700 0.019 0.000 0.783 284 G N 1.690 110.508 108.800 0.030 0.000 2.212 284 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.266 284 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.266 284 G C 0.436 175.362 174.900 0.043 0.000 0.978 284 G CA 0.402 45.524 45.100 0.036 0.000 0.632 284 G HN 0.862 nan 8.290 nan 0.000 0.537 285 S N 1.466 117.190 115.700 0.040 0.000 2.576 285 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 285 S C -1.653 172.999 174.600 0.087 0.000 1.339 285 S CA -0.543 57.692 58.200 0.060 0.000 1.039 285 S CB 0.924 64.151 63.200 0.046 0.000 0.902 285 S HN 0.193 nan 8.310 nan 0.000 0.516 286 P HA 0.353 nan 4.420 nan 0.000 0.272 286 P C -0.961 176.446 177.300 0.179 0.000 1.223 286 P CA -0.137 63.090 63.100 0.211 0.000 0.784 286 P CB 0.373 32.297 31.700 0.375 0.000 0.923 287 I N 2.280 122.949 120.570 0.165 0.000 2.498 287 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 287 I C -0.327 175.922 176.117 0.221 0.000 1.032 287 I CA -0.851 60.494 61.300 0.074 0.000 1.073 287 I CB 1.244 39.156 38.000 -0.146 0.000 1.251 287 I HN 0.322 nan 8.210 nan 0.000 0.426 288 F N 5.812 125.810 119.950 0.080 0.000 2.611 288 F HA 0.779 5.306 4.527 -0.000 0.000 0.324 288 F C -1.338 174.560 175.800 0.163 0.000 1.061 288 F CA -1.094 57.004 58.000 0.162 0.000 0.954 288 F CB 1.178 40.342 39.000 0.274 0.000 1.301 288 F HN 0.005 nan 8.300 nan 0.000 0.482 289 I N 3.363 124.133 120.570 0.334 0.000 2.441 289 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 289 I C -0.716 175.610 176.117 0.348 0.000 0.994 289 I CA -0.746 60.673 61.300 0.198 0.000 1.144 289 I CB 1.527 39.646 38.000 0.198 0.000 1.314 289 I HN 0.875 nan 8.210 nan 0.000 0.445 290 M N 4.588 124.310 119.600 0.204 0.000 2.433 290 M HA 0.369 4.849 4.480 -0.000 0.000 0.290 290 M C -0.676 175.683 176.300 0.098 0.000 1.173 290 M CA -0.752 54.700 55.300 0.253 0.000 0.905 290 M CB 2.670 35.456 32.600 0.310 0.000 1.692 290 M HN 0.530 nan 8.290 nan 0.000 0.462 291 K N 2.390 122.831 120.400 0.067 0.000 2.414 291 K HA 0.225 4.545 4.320 -0.000 0.000 0.272 291 K C -1.172 175.424 176.600 -0.006 0.000 0.993 291 K CA -0.328 55.959 56.287 -0.001 0.000 0.964 291 K CB 0.674 33.153 32.500 -0.034 0.000 0.925 291 K HN 0.624 nan 8.250 nan 0.000 0.487 292 L N 3.549 124.772 121.223 0.000 0.000 2.292 292 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 292 L C -0.822 176.047 176.870 -0.002 0.000 1.065 292 L CA 0.168 55.014 54.840 0.009 0.000 0.806 292 L CB 1.040 43.119 42.059 0.034 0.000 1.175 292 L HN 0.703 nan 8.230 nan 0.000 0.431 293 A N 3.789 126.607 122.820 -0.004 0.000 2.309 293 A HA 0.593 4.913 4.320 -0.000 0.000 0.298 293 A C 0.894 178.492 177.584 0.024 0.000 1.165 293 A CA 0.104 52.141 52.037 0.001 0.000 0.821 293 A CB 0.717 19.719 19.000 0.004 0.000 1.102 293 A HN 0.983 nan 8.150 nan 0.000 0.500 294 G N 1.726 110.543 108.800 0.027 0.000 2.605 294 G HA2 0.234 4.194 3.960 -0.000 0.000 0.215 294 G HA3 0.234 4.194 3.960 -0.000 0.000 0.215 294 G C 0.396 175.319 174.900 0.040 0.000 1.279 294 G CA 0.519 45.638 45.100 0.032 0.000 0.831 294 G HN 0.671 nan 8.290 nan 0.000 0.560 295 R N -0.655 119.872 120.500 0.044 0.000 2.575 295 R HA 0.776 5.116 4.340 -0.000 0.000 0.293 295 R C -0.673 175.668 176.300 0.067 0.000 0.983 295 R CA 0.176 56.309 56.100 0.055 0.000 0.887 295 R CB 2.198 32.528 30.300 0.049 0.000 1.184 295 R HN 0.588 nan 8.270 nan 0.000 0.445 296 A N 1.416 124.290 122.820 0.091 0.000 2.599 296 A HA 0.744 5.064 4.320 -0.000 0.000 0.290 296 A C -1.365 176.314 177.584 0.159 0.000 1.101 296 A CA -0.872 51.234 52.037 0.115 0.000 0.674 296 A CB 1.481 20.560 19.000 0.131 0.000 1.277 296 A HN 0.360 nan 8.150 nan 0.000 0.419 297 R N 1.036 121.667 120.500 0.218 0.000 2.428 297 R HA 0.358 4.698 4.340 -0.000 0.000 0.294 297 R C -1.027 175.444 176.300 0.285 0.000 1.000 297 R CA -0.497 55.758 56.100 0.258 0.000 0.960 297 R CB 0.974 31.462 30.300 0.313 0.000 1.076 297 R HN 0.809 nan 8.270 nan 0.000 0.475 298 H N 4.782 123.952 119.070 0.167 0.000 2.690 298 H HA 0.296 4.852 4.556 -0.000 0.000 0.289 298 H C -0.655 174.763 175.328 0.151 0.000 1.089 298 H CA -0.143 55.999 56.048 0.157 0.000 1.299 298 H CB 0.056 29.886 29.762 0.114 0.000 1.405 298 H HN 0.330 nan 8.280 nan 0.000 0.463 299 L N 3.850 125.249 121.223 0.294 0.000 2.334 299 L HA 0.501 4.841 4.340 -0.000 0.000 0.270 299 L C 0.100 177.171 176.870 0.335 0.000 1.018 299 L CA -0.843 54.176 54.840 0.298 0.000 0.811 299 L CB 1.894 44.095 42.059 0.237 0.000 1.271 299 L HN 0.546 nan 8.230 nan 0.000 0.443 300 E N 0.488 120.883 120.200 0.324 0.000 2.367 300 E HA 0.566 4.916 4.350 -0.000 0.000 0.273 300 E C -1.636 175.152 176.600 0.314 0.000 0.903 300 E CA -0.786 55.774 56.400 0.267 0.000 0.764 300 E CB 3.260 33.078 29.700 0.196 0.000 1.252 300 E HN 0.136 nan 8.360 nan 0.000 0.446 301 V N 2.105 122.148 119.914 0.215 0.000 2.487 301 V HA 0.182 4.302 4.120 -0.000 0.000 0.298 301 V C -0.524 175.630 176.094 0.100 0.000 1.028 301 V CA -0.765 61.646 62.300 0.185 0.000 0.860 301 V CB 1.672 33.538 31.823 0.073 0.000 0.991 301 V HN 0.581 nan 8.190 nan 0.000 0.427 302 Q N 3.832 123.700 119.800 0.113 0.000 2.295 302 Q HA 0.482 4.822 4.340 -0.000 0.000 0.259 302 Q C -1.110 174.898 176.000 0.013 0.000 0.976 302 Q CA 0.090 55.930 55.803 0.061 0.000 0.923 302 Q CB 1.258 30.045 28.738 0.082 0.000 1.185 302 Q HN 0.652 nan 8.270 nan 0.000 0.410 303 L N 4.930 126.138 121.223 -0.026 0.000 2.325 303 L HA 0.709 5.049 4.340 -0.000 0.000 0.278 303 L C -1.814 175.050 176.870 -0.010 0.000 1.023 303 L CA -0.786 54.022 54.840 -0.053 0.000 0.811 303 L CB 1.670 43.639 42.059 -0.151 0.000 1.249 303 L HN 0.767 nan 8.230 nan 0.000 0.431 304 L N 4.718 125.940 121.223 -0.002 0.000 2.438 304 L HA 0.906 5.246 4.340 -0.000 0.000 0.270 304 L C -1.209 175.668 176.870 0.011 0.000 0.972 304 L CA -0.052 54.801 54.840 0.022 0.000 0.831 304 L CB 1.647 43.697 42.059 -0.013 0.000 1.273 304 L HN 0.783 nan 8.230 nan 0.000 0.405 305 A N 3.000 125.861 122.820 0.069 0.000 2.435 305 A HA 0.776 5.096 4.320 -0.000 0.000 0.304 305 A C -1.235 176.342 177.584 -0.012 0.000 1.064 305 A CA -0.514 51.549 52.037 0.043 0.000 0.727 305 A CB 1.209 20.301 19.000 0.153 0.000 1.284 305 A HN 0.748 nan 8.150 nan 0.000 0.415 306 D N 0.228 120.614 120.400 -0.023 0.000 2.539 306 D HA 0.245 4.885 4.640 -0.000 0.000 0.280 306 D C 0.304 176.513 176.300 -0.151 0.000 1.208 306 D CA -0.308 53.662 54.000 -0.050 0.000 1.088 306 D CB 0.329 41.181 40.800 0.086 0.000 1.149 306 D HN 0.434 nan 8.370 nan 0.000 0.596 307 Q N -1.544 118.040 119.800 -0.361 0.000 2.280 307 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 307 Q C -0.357 175.273 176.000 -0.615 0.000 0.903 307 Q CA 0.145 55.574 55.803 -0.623 0.000 0.948 307 Q CB -0.010 28.154 28.738 -0.957 0.000 1.058 307 Q HN 0.446 nan 8.270 nan 0.000 0.493 308 Y N -1.189 119.176 120.300 0.109 0.000 2.696 308 Y HA 0.343 4.893 4.550 0.000 0.000 0.260 308 Y C 1.303 177.266 175.900 0.105 0.000 1.165 308 Y CA -0.118 58.065 58.100 0.138 0.000 1.189 308 Y CB 0.924 39.505 38.460 0.202 0.000 1.180 308 Y HN 0.155 nan 8.280 nan 0.000 0.538 309 G N -0.097 108.794 108.800 0.152 0.000 2.176 309 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.253 309 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.253 309 G C 0.247 175.209 174.900 0.104 0.000 0.979 309 G CA 0.338 45.512 45.100 0.123 0.000 0.641 309 G HN 0.269 nan 8.290 nan 0.000 0.530 310 T N 2.240 116.860 114.554 0.109 0.000 2.723 310 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 310 T C 0.100 174.775 174.700 -0.042 0.000 0.925 310 T CA -0.132 61.988 62.100 0.034 0.000 1.030 310 T CB 0.447 69.335 68.868 0.033 0.000 0.905 310 T HN 0.356 nan 8.240 nan 0.000 0.502 311 N N 3.949 122.623 118.700 -0.044 0.000 2.372 311 N HA 0.570 5.310 4.740 -0.000 0.000 0.285 311 N C -0.491 174.961 175.510 -0.096 0.000 1.008 311 N CA -0.512 52.512 53.050 -0.043 0.000 0.880 311 N CB 2.078 40.573 38.487 0.013 0.000 1.239 311 N HN 0.605 nan 8.380 nan 0.000 0.484 312 I N -1.361 119.132 120.570 -0.127 0.000 3.002 312 I HA 0.616 4.786 4.170 -0.000 0.000 0.310 312 I C -0.058 176.025 176.117 -0.056 0.000 1.087 312 I CA -0.933 60.303 61.300 -0.106 0.000 1.017 312 I CB 2.139 40.015 38.000 -0.206 0.000 1.226 312 I HN 0.298 nan 8.210 nan 0.000 0.443 313 S N 3.346 119.027 115.700 -0.032 0.000 2.549 313 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 313 S C -0.454 174.066 174.600 -0.135 0.000 1.115 313 S CA -0.796 57.377 58.200 -0.046 0.000 1.059 313 S CB 1.691 64.880 63.200 -0.018 0.000 1.046 313 S HN 0.670 nan 8.310 nan 0.000 0.506 314 L N 3.066 124.204 121.223 -0.141 0.000 2.784 314 L HA 0.442 4.782 4.340 -0.000 0.000 0.241 314 L C -0.909 175.845 176.870 -0.195 0.000 1.352 314 L CA -0.531 54.117 54.840 -0.320 0.000 0.911 314 L CB -0.953 41.042 42.059 -0.107 0.000 1.227 314 L HN 0.777 nan 8.230 nan 0.000 0.501 315 F N -0.738 119.314 119.950 0.170 0.000 2.181 315 F HA -0.189 4.338 4.527 -0.000 0.000 0.317 315 F C 1.128 177.114 175.800 0.309 0.000 0.129 315 F CA 0.788 58.931 58.000 0.238 0.000 0.911 315 F CB -1.651 37.411 39.000 0.102 0.000 4.128 315 F HN 0.318 nan 8.300 nan 0.000 0.142 316 G N -0.867 108.214 108.800 0.467 0.000 2.827 316 G HA2 0.776 4.736 3.960 -0.000 0.000 0.296 316 G HA3 0.776 4.736 3.960 -0.000 0.000 0.296 316 G C -1.705 173.273 174.900 0.130 0.000 1.362 316 G CA -1.144 44.193 45.100 0.395 0.000 0.809 316 G HN 0.614 nan 8.290 nan 0.000 0.522 317 R N -0.430 120.146 120.500 0.127 0.000 2.795 317 R HA 0.494 4.834 4.340 -0.000 0.000 0.275 317 R C -1.904 174.428 176.300 0.053 0.000 0.981 317 R CA -0.815 55.315 56.100 0.049 0.000 0.917 317 R CB 2.579 32.922 30.300 0.072 0.000 1.202 317 R HN 0.497 nan 8.270 nan 0.000 0.469 318 D N 1.351 121.758 120.400 0.012 0.000 2.481 318 D HA 0.150 4.790 4.640 -0.000 0.000 0.246 318 D C -1.262 175.071 176.300 0.053 0.000 1.109 318 D CA -0.433 53.588 54.000 0.035 0.000 0.845 318 D CB 1.535 42.322 40.800 -0.022 0.000 1.160 318 D HN 0.452 nan 8.370 nan 0.000 0.534 319 C N 4.284 123.637 119.300 0.088 0.000 2.246 319 C HA 0.451 4.911 4.460 -0.000 0.000 0.329 319 C C 1.724 176.759 174.990 0.074 0.000 1.221 319 C CA -0.087 58.962 59.018 0.051 0.000 1.697 319 C CB -1.070 26.656 27.740 -0.022 0.000 2.312 319 C HN 0.637 nan 8.230 nan 0.000 0.509 320 S N 3.832 119.565 115.700 0.055 0.000 2.503 320 S HA 0.179 4.649 4.470 -0.000 0.000 0.217 320 S C 0.211 174.845 174.600 0.057 0.000 0.999 320 S CA 0.065 58.300 58.200 0.059 0.000 0.914 320 S CB -0.060 63.166 63.200 0.043 0.000 0.782 320 S HN 0.610 nan 8.310 nan 0.000 0.520 321 V N 1.440 121.383 119.914 0.049 0.000 2.686 321 V HA 0.529 4.649 4.120 -0.000 0.000 0.306 321 V C -1.165 174.955 176.094 0.044 0.000 1.065 321 V CA -0.612 61.721 62.300 0.055 0.000 0.894 321 V CB 1.865 33.730 31.823 0.070 0.000 1.004 321 V HN 0.331 nan 8.190 nan 0.000 0.424 322 Q N 2.094 121.916 119.800 0.036 0.000 2.289 322 Q HA 0.478 4.818 4.340 -0.000 0.000 0.270 322 Q C 0.170 176.168 176.000 -0.003 0.000 1.038 322 Q CA -0.865 54.947 55.803 0.015 0.000 0.812 322 Q CB 3.258 31.999 28.738 0.006 0.000 1.300 322 Q HN 0.616 nan 8.270 nan 0.000 0.427 323 R N 1.618 122.108 120.500 -0.018 0.000 2.052 323 R HA 0.065 4.405 4.340 -0.000 0.000 0.226 323 R C 0.962 177.212 176.300 -0.083 0.000 1.145 323 R CA 1.984 58.053 56.100 -0.052 0.000 0.952 323 R CB 0.390 30.653 30.300 -0.061 0.000 0.847 323 R HN 0.619 nan 8.270 nan 0.000 0.431 324 R N -2.840 117.598 120.500 -0.103 0.000 2.420 324 R HA 0.283 4.623 4.340 -0.000 0.000 0.126 324 R C 1.423 177.550 176.300 -0.288 0.000 1.871 324 R CA -0.118 55.850 56.100 -0.220 0.000 1.558 324 R CB -0.019 30.166 30.300 -0.193 0.000 1.338 324 R HN 0.203 nan 8.270 nan 0.000 0.471 325 H N 0.073 119.139 119.070 -0.005 0.000 2.755 325 H HA 0.198 4.754 4.556 -0.000 0.000 0.273 325 H C -0.256 175.059 175.328 -0.022 0.000 1.055 325 H CA -0.011 56.033 56.048 -0.006 0.000 1.191 325 H CB 0.875 30.638 29.762 0.001 0.000 1.536 325 H HN 0.062 nan 8.280 nan 0.000 0.529 326 Q N 2.213 122.048 119.800 0.059 0.000 2.307 326 Q HA 0.149 4.489 4.340 -0.000 0.000 0.259 326 Q C -0.427 175.586 176.000 0.021 0.000 0.998 326 Q CA -0.166 55.658 55.803 0.036 0.000 0.923 326 Q CB 0.423 29.170 28.738 0.015 0.000 1.196 326 Q HN 0.092 nan 8.270 nan 0.000 0.416 327 K N 4.943 125.355 120.400 0.020 0.000 2.379 327 K HA 0.094 4.414 4.320 -0.000 0.000 0.284 327 K C 0.282 176.914 176.600 0.052 0.000 1.044 327 K CA -0.234 56.060 56.287 0.011 0.000 0.974 327 K CB 0.794 33.289 32.500 -0.008 0.000 0.962 327 K HN 0.611 nan 8.250 nan 0.000 0.474 328 I N 2.603 123.201 120.570 0.047 0.000 2.899 328 I HA 0.106 4.276 4.170 -0.000 0.000 0.257 328 I C 0.904 177.043 176.117 0.037 0.000 1.115 328 I CA 0.662 61.998 61.300 0.059 0.000 1.451 328 I CB -0.020 38.044 38.000 0.106 0.000 1.251 328 I HN 0.513 nan 8.210 nan 0.000 0.456 329 I N 1.342 121.931 120.570 0.032 0.000 2.418 329 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 329 I C -0.310 175.821 176.117 0.025 0.000 1.008 329 I CA -0.295 61.015 61.300 0.016 0.000 1.104 329 I CB 2.310 40.313 38.000 0.006 0.000 1.264 329 I HN 0.128 nan 8.210 nan 0.000 0.438 330 E N 6.489 126.704 120.200 0.026 0.000 2.293 330 E HA 0.487 4.837 4.350 -0.000 0.000 0.270 330 E C -1.484 175.127 176.600 0.019 0.000 0.879 330 E CA -0.593 55.823 56.400 0.026 0.000 0.756 330 E CB 2.483 32.201 29.700 0.030 0.000 1.208 330 E HN 0.722 nan 8.360 nan 0.000 0.428 331 E N 1.426 121.622 120.200 -0.005 0.000 2.393 331 E HA 0.815 5.165 4.350 -0.000 0.000 0.273 331 E C -1.625 174.878 176.600 -0.161 0.000 0.918 331 E CA -1.314 55.033 56.400 -0.088 0.000 0.773 331 E CB 1.996 31.681 29.700 -0.024 0.000 1.275 331 E HN 0.376 nan 8.360 nan 0.000 0.451 332 A N 1.853 124.475 122.820 -0.329 0.000 2.455 332 A HA 0.680 5.000 4.320 -0.000 0.000 0.300 332 A C -2.745 174.567 177.584 -0.454 0.000 1.040 332 A CA -1.506 50.374 52.037 -0.262 0.000 0.697 332 A CB 1.732 20.680 19.000 -0.086 0.000 1.265 332 A HN 0.550 nan 8.150 nan 0.000 0.407 333 P HA 0.426 nan 4.420 nan 0.000 0.302 333 P C -0.409 176.730 177.300 -0.269 0.000 1.307 333 P CA -0.331 62.619 63.100 -0.250 0.000 0.754 333 P CB 0.720 32.223 31.700 -0.328 0.000 1.298 334 V N 0.469 120.105 119.914 -0.464 0.000 2.546 334 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 334 V C 1.477 177.302 176.094 -0.449 0.000 1.050 334 V CA 0.680 62.664 62.300 -0.526 0.000 0.981 334 V CB 0.507 31.744 31.823 -0.975 0.000 0.990 334 V HN 0.853 nan 8.190 nan 0.000 0.474 335 T N 0.458 114.838 114.554 -0.290 0.000 3.009 335 T HA 0.181 4.531 4.350 -0.000 0.000 0.267 335 T C 1.469 176.041 174.700 -0.212 0.000 0.942 335 T CA 0.190 62.152 62.100 -0.230 0.000 0.883 335 T CB -0.057 68.716 68.868 -0.159 0.000 1.192 335 T HN 0.382 nan 8.240 nan 0.000 0.524 336 I N 1.822 122.248 120.570 -0.241 0.000 2.493 336 I HA 0.274 4.444 4.170 -0.000 0.000 0.254 336 I C 1.137 177.065 176.117 -0.315 0.000 1.160 336 I CA 0.441 61.586 61.300 -0.258 0.000 1.445 336 I CB -0.237 37.629 38.000 -0.224 0.000 1.086 336 I HN 0.425 nan 8.210 nan 0.000 0.433 337 A N 0.787 123.386 122.820 -0.368 0.000 2.294 337 A HA 0.412 4.732 4.320 -0.000 0.000 0.330 337 A C -0.134 177.387 177.584 -0.105 0.000 1.133 337 A CA -0.688 51.178 52.037 -0.287 0.000 0.836 337 A CB 0.487 19.112 19.000 -0.625 0.000 1.190 337 A HN 0.193 nan 8.150 nan 0.000 0.492 338 K N 0.651 121.067 120.400 0.027 0.000 2.414 338 K HA 0.233 4.553 4.320 -0.000 0.000 0.272 338 K C 1.357 177.943 176.600 -0.023 0.000 0.993 338 K CA 0.369 56.674 56.287 0.030 0.000 0.964 338 K CB 0.609 33.161 32.500 0.087 0.000 0.925 338 K HN 0.726 nan 8.250 nan 0.000 0.487 339 A N 2.762 125.556 122.820 -0.044 0.000 1.873 339 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 339 A C 1.959 179.460 177.584 -0.139 0.000 1.193 339 A CA 1.549 53.511 52.037 -0.125 0.000 0.629 339 A CB -0.326 18.649 19.000 -0.041 0.000 0.826 339 A HN 0.804 nan 8.150 nan 0.000 0.447 340 E N -0.573 119.663 120.200 0.061 0.000 2.150 340 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 340 E C 2.193 178.855 176.600 0.103 0.000 0.985 340 E CA 1.528 58.025 56.400 0.162 0.000 0.814 340 E CB -0.567 29.217 29.700 0.140 0.000 0.752 340 E HN 0.631 nan 8.360 nan 0.000 0.466 341 T N 0.573 115.168 114.554 0.069 0.000 2.708 341 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 341 T C 1.582 176.239 174.700 -0.072 0.000 1.037 341 T CA 1.075 63.224 62.100 0.082 0.000 1.146 341 T CB -0.418 68.534 68.868 0.141 0.000 0.865 341 T HN 0.145 nan 8.240 nan 0.000 0.435 342 F N 1.499 121.291 119.950 -0.264 0.000 2.234 342 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 342 F C 2.371 178.017 175.800 -0.256 0.000 1.087 342 F CA 1.054 58.839 58.000 -0.358 0.000 1.340 342 F CB -0.296 38.492 39.000 -0.353 0.000 1.031 342 F HN 0.240 nan 8.300 nan 0.000 0.500 343 H N 0.151 119.168 119.070 -0.087 0.000 2.421 343 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 343 H C 2.075 177.294 175.328 -0.183 0.000 1.087 343 H CA 1.666 57.652 56.048 -0.103 0.000 1.330 343 H CB -0.369 29.395 29.762 0.003 0.000 1.388 343 H HN 0.449 nan 8.280 nan 0.000 0.526 344 E N -0.078 120.084 120.200 -0.064 0.000 2.107 344 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 344 E C 2.201 178.613 176.600 -0.312 0.000 0.982 344 E CA 0.518 56.886 56.400 -0.054 0.000 0.809 344 E CB 0.038 29.823 29.700 0.141 0.000 0.756 344 E HN 0.367 nan 8.360 nan 0.000 0.459 345 M N 0.396 119.492 119.600 -0.841 0.000 2.175 345 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 345 M C 1.913 177.867 176.300 -0.578 0.000 1.063 345 M CA 1.406 55.965 55.300 -1.235 0.000 1.119 345 M CB -0.094 31.479 32.600 -1.712 0.000 1.377 345 M HN 0.072 nan 8.290 nan 0.000 0.415 346 E N 0.360 120.233 120.200 -0.546 0.000 2.047 346 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 346 E C 1.958 178.499 176.600 -0.099 0.000 0.987 346 E CA 1.094 57.329 56.400 -0.275 0.000 0.799 346 E CB -0.059 29.533 29.700 -0.180 0.000 0.752 346 E HN 0.477 nan 8.360 nan 0.000 0.449 347 K N 0.760 121.118 120.400 -0.070 0.000 2.057 347 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 347 K C 2.234 178.846 176.600 0.020 0.000 1.049 347 K CA 1.179 57.465 56.287 -0.003 0.000 0.931 347 K CB -0.170 32.340 32.500 0.018 0.000 0.714 347 K HN 0.048 nan 8.250 nan 0.000 0.440 348 A N 1.546 124.386 122.820 0.034 0.000 1.933 348 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 348 A C 2.380 180.024 177.584 0.100 0.000 1.175 348 A CA 1.775 53.874 52.037 0.104 0.000 0.628 348 A CB -0.671 18.459 19.000 0.217 0.000 0.814 348 A HN 0.335 nan 8.150 nan 0.000 0.444 349 A N -0.594 122.290 122.820 0.106 0.000 1.902 349 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 349 A C 2.212 179.796 177.584 0.001 0.000 1.181 349 A CA 1.767 53.840 52.037 0.059 0.000 0.623 349 A CB -0.864 18.165 19.000 0.047 0.000 0.818 349 A HN 0.379 nan 8.150 nan 0.000 0.443 350 V N -0.003 119.913 119.914 0.005 0.000 2.427 350 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 350 V C 2.637 178.740 176.094 0.015 0.000 1.051 350 V CA 2.090 64.393 62.300 0.005 0.000 1.048 350 V CB -0.787 31.045 31.823 0.015 0.000 0.666 350 V HN 0.512 nan 8.190 nan 0.000 0.456 351 R N -0.613 119.899 120.500 0.020 0.000 2.073 351 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 351 R C 2.256 178.557 176.300 0.003 0.000 1.134 351 R CA 1.559 57.670 56.100 0.018 0.000 0.952 351 R CB -0.602 29.711 30.300 0.022 0.000 0.850 351 R HN 0.361 nan 8.270 nan 0.000 0.433 352 L N 0.556 121.768 121.223 -0.019 0.000 2.046 352 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 352 L C 2.162 179.023 176.870 -0.015 0.000 1.077 352 L CA 2.134 56.943 54.840 -0.053 0.000 0.747 352 L CB -1.074 40.914 42.059 -0.118 0.000 0.896 352 L HN 0.193 nan 8.230 nan 0.000 0.432 353 G N -0.779 108.014 108.800 -0.011 0.000 2.440 353 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 353 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 353 G C 1.689 176.651 174.900 0.103 0.000 1.154 353 G CA 0.907 46.031 45.100 0.040 0.000 0.767 353 G HN 0.423 nan 8.290 nan 0.000 0.552 354 K N -0.432 120.008 120.400 0.066 0.000 2.057 354 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 354 K C 2.384 179.023 176.600 0.066 0.000 1.049 354 K CA 1.051 57.380 56.287 0.071 0.000 0.931 354 K CB -0.345 32.186 32.500 0.053 0.000 0.714 354 K HN 0.271 nan 8.250 nan 0.000 0.440 355 L N 1.310 122.560 121.223 0.045 0.000 2.012 355 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 355 L C 1.974 178.874 176.870 0.050 0.000 1.073 355 L CA 1.605 56.466 54.840 0.034 0.000 0.748 355 L CB -0.411 41.654 42.059 0.010 0.000 0.891 355 L HN 0.097 nan 8.230 nan 0.000 0.431 356 V N -2.321 117.636 119.914 0.072 0.000 3.623 356 V HA 0.411 4.531 4.120 -0.000 0.000 0.271 356 V C 1.394 177.561 176.094 0.123 0.000 1.248 356 V CA 0.281 62.639 62.300 0.096 0.000 1.156 356 V CB -1.235 30.660 31.823 0.120 0.000 0.870 356 V HN 0.691 nan 8.190 nan 0.000 0.453 357 G N -0.426 108.451 108.800 0.128 0.000 2.272 357 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.280 357 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.280 357 G C -0.225 174.772 174.900 0.162 0.000 1.067 357 G CA 0.403 45.585 45.100 0.138 0.000 0.902 357 G HN 0.818 nan 8.290 nan 0.000 0.500 358 Y N -0.653 119.692 120.300 0.074 0.000 2.457 358 Y HA 0.428 4.978 4.550 -0.000 0.000 0.341 358 Y C 0.686 176.621 175.900 0.058 0.000 1.240 358 Y CA 0.555 58.696 58.100 0.069 0.000 1.437 358 Y CB 0.962 39.448 38.460 0.044 0.000 1.328 358 Y HN 0.275 nan 8.280 nan 0.000 0.588 359 V N 4.422 124.053 119.914 -0.472 0.000 2.932 359 V HA 0.511 4.631 4.120 -0.000 0.000 0.307 359 V C -0.108 175.797 176.094 -0.314 0.000 1.147 359 V CA -0.370 61.776 62.300 -0.256 0.000 0.951 359 V CB 1.449 33.120 31.823 -0.253 0.000 1.031 359 V HN 1.052 nan 8.190 nan 0.000 0.426 360 S N 1.482 117.127 115.700 -0.091 0.000 3.830 360 S HA -0.022 4.448 4.470 -0.000 0.000 0.635 360 S C 0.090 174.799 174.600 0.182 0.000 2.022 360 S CA 0.489 58.678 58.200 -0.017 0.000 2.279 360 S CB -1.085 62.056 63.200 -0.099 0.000 0.329 360 S HN 2.492 nan 8.310 nan 0.000 1.707 361 A N 0.761 123.679 122.820 0.164 0.000 2.331 361 A HA 0.749 5.069 4.320 -0.000 0.000 0.283 361 A C 0.610 178.369 177.584 0.293 0.000 1.142 361 A CA 0.590 52.739 52.037 0.186 0.000 0.812 361 A CB 0.524 19.578 19.000 0.089 0.000 1.074 361 A HN 1.930 nan 8.150 nan 0.000 0.497 362 G N -0.123 108.750 108.800 0.122 0.000 2.692 362 G HA2 0.603 4.563 3.960 -0.000 0.000 0.291 362 G HA3 0.603 4.563 3.960 -0.000 0.000 0.291 362 G C -1.098 173.742 174.900 -0.101 0.000 1.423 362 G CA -0.385 44.683 45.100 -0.052 0.000 0.843 362 G HN 0.726 nan 8.290 nan 0.000 0.486 363 T N 0.230 114.730 114.554 -0.090 0.000 2.848 363 T HA 0.522 4.872 4.350 -0.000 0.000 0.285 363 T C -0.634 174.011 174.700 -0.092 0.000 0.995 363 T CA -0.324 61.743 62.100 -0.054 0.000 0.970 363 T CB 1.790 70.660 68.868 0.003 0.000 0.976 363 T HN 0.412 nan 8.240 nan 0.000 0.441 364 V N 3.958 123.809 119.914 -0.105 0.000 2.347 364 V HA 0.314 4.434 4.120 -0.000 0.000 0.280 364 V C 0.283 176.196 176.094 -0.302 0.000 1.021 364 V CA -0.703 61.481 62.300 -0.194 0.000 0.847 364 V CB 1.099 32.797 31.823 -0.207 0.000 0.990 364 V HN 0.827 nan 8.190 nan 0.000 0.444 365 E N 3.815 123.811 120.200 -0.341 0.000 2.301 365 E HA 0.519 4.869 4.350 -0.000 0.000 0.275 365 E C -1.537 174.754 176.600 -0.515 0.000 1.030 365 E CA -0.314 55.914 56.400 -0.288 0.000 0.852 365 E CB 1.440 31.042 29.700 -0.163 0.000 1.060 365 E HN 0.590 nan 8.360 nan 0.000 0.401 366 Y N 0.846 121.065 120.300 -0.134 0.000 2.576 366 Y HA 0.387 4.937 4.550 -0.000 0.000 0.346 366 Y C -0.723 175.135 175.900 -0.069 0.000 1.018 366 Y CA -1.030 57.052 58.100 -0.030 0.000 1.050 366 Y CB 1.268 39.772 38.460 0.075 0.000 1.280 366 Y HN 0.347 nan 8.280 nan 0.000 0.474 367 L N 2.844 124.243 121.223 0.293 0.000 2.280 367 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 367 L C -1.620 175.493 176.870 0.405 0.000 1.023 367 L CA -0.712 54.278 54.840 0.250 0.000 0.819 367 L CB 0.406 42.608 42.059 0.239 0.000 1.212 367 L HN 0.582 nan 8.230 nan 0.000 0.420 368 Y N 3.704 124.129 120.300 0.208 0.000 2.335 368 Y HA 0.521 5.071 4.550 0.000 0.000 0.338 368 Y C -0.220 175.794 175.900 0.189 0.000 0.977 368 Y CA -0.471 57.744 58.100 0.192 0.000 1.114 368 Y CB 1.732 40.280 38.460 0.148 0.000 1.182 368 Y HN 0.597 nan 8.280 nan 0.000 0.463 369 S N 5.758 121.238 115.700 -0.368 0.000 2.466 369 S HA 0.145 4.615 4.470 -0.000 0.000 0.313 369 S C 0.933 175.171 174.600 -0.603 0.000 1.078 369 S CA -0.389 57.632 58.200 -0.299 0.000 1.115 369 S CB -0.307 62.880 63.200 -0.022 0.000 1.006 369 S HN 1.050 nan 8.310 nan 0.000 0.487 370 H N 3.620 122.272 119.070 -0.697 0.000 2.422 370 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 370 H C 1.057 176.274 175.328 -0.187 0.000 1.098 370 H CA 1.630 57.407 56.048 -0.451 0.000 1.315 370 H CB 0.333 30.056 29.762 -0.064 0.000 1.382 370 H HN 0.664 nan 8.280 nan 0.000 0.523 371 D N 0.768 121.100 120.400 -0.114 0.000 2.127 371 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 371 D C 1.313 177.553 176.300 -0.099 0.000 1.000 371 D CA 2.061 55.992 54.000 -0.115 0.000 0.839 371 D CB -0.397 40.369 40.800 -0.056 0.000 0.955 371 D HN 0.737 nan 8.370 nan 0.000 0.446 372 D N -1.950 118.406 120.400 -0.072 0.000 2.395 372 D HA 0.271 4.911 4.640 -0.000 0.000 0.213 372 D C 1.246 177.533 176.300 -0.023 0.000 1.110 372 D CA 0.493 54.470 54.000 -0.038 0.000 0.835 372 D CB 0.157 40.949 40.800 -0.013 0.000 0.965 372 D HN 0.202 nan 8.370 nan 0.000 0.505 373 G N 0.488 109.266 108.800 -0.038 0.000 2.225 373 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 373 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 373 G C 0.012 174.979 174.900 0.112 0.000 1.024 373 G CA 0.344 45.505 45.100 0.101 0.000 0.784 373 G HN 0.433 nan 8.290 nan 0.000 0.507 374 K N -0.694 119.663 120.400 -0.071 0.000 2.118 374 K HA 0.735 5.055 4.320 -0.000 0.000 0.254 374 K C -0.080 176.381 176.600 -0.231 0.000 0.961 374 K CA -0.775 55.384 56.287 -0.213 0.000 0.876 374 K CB 1.194 33.507 32.500 -0.311 0.000 1.077 374 K HN 0.363 nan 8.250 nan 0.000 0.440 375 F N -0.651 119.035 119.950 -0.440 0.000 2.588 375 F HA 0.603 5.130 4.527 0.000 0.000 0.314 375 F C -1.378 174.059 175.800 -0.604 0.000 1.069 375 F CA -1.214 56.579 58.000 -0.345 0.000 0.931 375 F CB 0.848 39.747 39.000 -0.168 0.000 1.260 375 F HN 0.324 nan 8.300 nan 0.000 0.465 376 Y N 1.921 122.469 120.300 0.413 0.000 2.492 376 Y HA 0.442 4.992 4.550 0.000 0.000 0.346 376 Y C -0.694 175.518 175.900 0.520 0.000 0.997 376 Y CA -1.521 56.791 58.100 0.353 0.000 1.025 376 Y CB 1.614 40.177 38.460 0.172 0.000 1.263 376 Y HN 0.776 nan 8.280 nan 0.000 0.454 377 F N 3.382 123.613 119.950 0.468 0.000 2.572 377 F HA 0.219 4.746 4.527 -0.000 0.000 0.370 377 F C -0.090 175.737 175.800 0.045 0.000 1.103 377 F CA 0.280 58.396 58.000 0.193 0.000 1.286 377 F CB 0.497 39.561 39.000 0.108 0.000 1.105 377 F HN 0.573 nan 8.300 nan 0.000 0.583 378 L N 3.155 123.835 121.223 -0.904 0.000 2.519 378 L HA 0.295 4.635 4.340 -0.000 0.000 0.194 378 L C -0.181 175.981 176.870 -1.180 0.000 1.072 378 L CA 0.291 54.681 54.840 -0.752 0.000 0.845 378 L CB 0.038 41.831 42.059 -0.443 0.000 1.138 378 L HN 0.772 nan 8.230 nan 0.000 0.487 379 E N -0.614 118.742 120.200 -1.406 0.000 2.411 379 E HA 0.270 4.620 4.350 -0.000 0.000 0.279 379 E C -1.547 174.830 176.600 -0.371 0.000 1.132 379 E CA -0.742 55.123 56.400 -0.891 0.000 0.876 379 E CB 1.658 31.140 29.700 -0.364 0.000 1.335 379 E HN -0.015 nan 8.360 nan 0.000 0.436 380 L N 1.610 122.832 121.223 -0.001 0.000 2.319 380 L HA 0.516 4.856 4.340 -0.000 0.000 0.281 380 L C -1.265 175.609 176.870 0.007 0.000 1.005 380 L CA -0.616 54.239 54.840 0.024 0.000 0.828 380 L CB 0.969 43.079 42.059 0.085 0.000 1.227 380 L HN 0.560 nan 8.230 nan 0.000 0.415 381 N N 7.027 125.718 118.700 -0.015 0.000 2.406 381 N HA 0.239 4.979 4.740 -0.000 0.000 0.251 381 N C -2.172 173.385 175.510 0.079 0.000 1.069 381 N CA -1.361 51.708 53.050 0.031 0.000 0.947 381 N CB 0.902 39.403 38.487 0.024 0.000 1.111 381 N HN 0.453 nan 8.380 nan 0.000 0.497 382 P HA 0.029 nan 4.420 nan 0.000 0.228 382 P C -0.954 176.515 177.300 0.282 0.000 1.748 382 P CA 0.288 63.591 63.100 0.339 0.000 0.909 382 P CB -0.299 31.597 31.700 0.326 0.000 1.882 383 R N -0.999 119.632 120.500 0.218 0.000 2.780 383 R HA 0.476 4.816 4.340 -0.000 0.000 0.280 383 R C -1.615 174.767 176.300 0.136 0.000 1.016 383 R CA -1.187 55.006 56.100 0.154 0.000 0.854 383 R CB -0.005 30.374 30.300 0.131 0.000 1.293 383 R HN -0.088 nan 8.270 nan 0.000 0.483 384 L N 0.894 122.197 121.223 0.134 0.000 2.453 384 L HA 0.347 4.687 4.340 -0.000 0.000 0.261 384 L C -0.491 176.485 176.870 0.177 0.000 1.179 384 L CA 0.409 55.331 54.840 0.138 0.000 0.813 384 L CB 1.140 43.295 42.059 0.159 0.000 1.110 384 L HN 0.632 nan 8.230 nan 0.000 0.466 385 Q N 1.411 121.220 119.800 0.014 0.000 2.351 385 Q HA 0.273 4.613 4.340 -0.000 0.000 0.273 385 Q C 0.504 176.105 176.000 -0.666 0.000 1.077 385 Q CA -0.708 54.952 55.803 -0.237 0.000 0.843 385 Q CB 1.995 30.658 28.738 -0.125 0.000 1.367 385 Q HN 0.585 nan 8.270 nan 0.000 0.449 386 V N 1.383 120.552 119.914 -1.241 0.000 2.469 386 V HA -0.247 3.873 4.120 -0.000 0.000 0.251 386 V C 0.718 176.511 176.094 -0.502 0.000 1.064 386 V CA 2.172 63.728 62.300 -1.240 0.000 1.066 386 V CB -0.080 31.300 31.823 -0.738 0.000 0.667 386 V HN 0.723 nan 8.190 nan 0.000 0.461 387 E N -0.293 119.716 120.200 -0.317 0.000 2.463 387 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 387 E C 1.780 178.358 176.600 -0.038 0.000 1.083 387 E CA 0.478 56.816 56.400 -0.102 0.000 0.872 387 E CB -0.357 29.311 29.700 -0.054 0.000 0.966 387 E HN 0.919 nan 8.360 nan 0.000 0.491 388 H N -1.046 117.955 119.070 -0.115 0.000 2.457 388 H HA -0.011 4.545 4.556 -0.000 0.000 0.297 388 H C -1.017 174.262 175.328 -0.082 0.000 1.092 388 H CA 0.718 56.729 56.048 -0.062 0.000 1.309 388 H CB -1.420 28.323 29.762 -0.032 0.000 1.382 388 H HN 0.147 nan 8.280 nan 0.000 0.535 389 P HA -0.106 nan 4.420 nan 0.000 0.222 389 P C 1.819 178.926 177.300 -0.321 0.000 1.147 389 P CA 2.445 65.184 63.100 -0.602 0.000 0.790 389 P CB -0.244 30.743 31.700 -1.188 0.000 0.780 390 T N -4.679 109.809 114.554 -0.110 0.000 2.746 390 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 390 T C 1.791 176.516 174.700 0.042 0.000 1.039 390 T CA 1.936 64.072 62.100 0.059 0.000 1.142 390 T CB -1.657 67.291 68.868 0.134 0.000 0.866 390 T HN 0.003 nan 8.240 nan 0.000 0.444 391 T N 1.719 116.307 114.554 0.056 0.000 2.857 391 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 391 T C 1.947 176.711 174.700 0.106 0.000 1.048 391 T CA 1.272 63.437 62.100 0.109 0.000 1.139 391 T CB -0.282 68.662 68.868 0.127 0.000 0.874 391 T HN 0.575 nan 8.240 nan 0.000 0.455 392 E N 0.656 120.889 120.200 0.055 0.000 2.058 392 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 392 E C 2.122 178.738 176.600 0.026 0.000 0.997 392 E CA 1.170 57.593 56.400 0.039 0.000 0.801 392 E CB -0.224 29.470 29.700 -0.009 0.000 0.746 392 E HN 0.271 nan 8.360 nan 0.000 0.450 393 M N 0.982 120.582 119.600 0.001 0.000 2.117 393 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 393 M C 2.238 178.593 176.300 0.093 0.000 1.065 393 M CA 1.365 56.675 55.300 0.017 0.000 1.114 393 M CB -0.132 32.499 32.600 0.051 0.000 1.361 393 M HN 0.100 nan 8.290 nan 0.000 0.408 394 V N -2.026 117.969 119.914 0.136 0.000 3.306 394 V HA 0.081 4.201 4.120 -0.000 0.000 0.264 394 V C 1.739 177.949 176.094 0.193 0.000 1.149 394 V CA 1.481 63.871 62.300 0.151 0.000 1.143 394 V CB -1.381 30.477 31.823 0.058 0.000 0.767 394 V HN 0.643 nan 8.190 nan 0.000 0.476 395 S N -0.619 115.225 115.700 0.240 0.000 2.505 395 S HA 0.427 4.897 4.470 -0.000 0.000 0.216 395 S C 1.832 176.536 174.600 0.174 0.000 1.018 395 S CA 0.817 59.203 58.200 0.311 0.000 0.911 395 S CB 0.460 63.821 63.200 0.268 0.000 0.818 395 S HN 1.709 nan 8.310 nan 0.000 0.497 396 G N 0.871 109.736 108.800 0.109 0.000 2.162 396 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 396 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 396 G C 0.044 174.980 174.900 0.060 0.000 0.976 396 G CA 0.227 45.365 45.100 0.064 0.000 0.655 396 G HN 0.763 nan 8.290 nan 0.000 0.533 397 V N 1.523 121.479 119.914 0.071 0.000 2.461 397 V HA 0.372 4.492 4.120 -0.000 0.000 0.275 397 V C 0.634 176.750 176.094 0.037 0.000 1.047 397 V CA -0.814 61.520 62.300 0.057 0.000 0.955 397 V CB 1.637 33.497 31.823 0.062 0.000 0.988 397 V HN 0.401 nan 8.190 nan 0.000 0.471 398 N N 4.932 123.644 118.700 0.021 0.000 2.448 398 N HA 0.182 4.922 4.740 -0.000 0.000 0.250 398 N C 0.802 176.301 175.510 -0.019 0.000 1.136 398 N CA 0.078 53.130 53.050 0.003 0.000 0.953 398 N CB 0.875 39.365 38.487 0.006 0.000 1.251 398 N HN 0.673 nan 8.380 nan 0.000 0.502 399 L N 4.573 125.805 121.223 0.015 0.000 2.046 399 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 399 L C -0.649 176.183 176.870 -0.063 0.000 1.077 399 L CA 1.200 56.034 54.840 -0.011 0.000 0.747 399 L CB -1.034 41.036 42.059 0.018 0.000 0.896 399 L HN 0.421 nan 8.230 nan 0.000 0.432 400 P HA -0.136 nan 4.420 nan 0.000 0.218 400 P C 1.374 178.546 177.300 -0.214 0.000 1.149 400 P CA 1.557 64.570 63.100 -0.144 0.000 0.817 400 P CB 0.038 31.606 31.700 -0.220 0.000 0.785 401 A N -0.058 122.614 122.820 -0.246 0.000 1.930 401 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 401 A C 2.273 179.564 177.584 -0.490 0.000 1.175 401 A CA 1.835 53.575 52.037 -0.495 0.000 0.627 401 A CB -1.526 17.169 19.000 -0.510 0.000 0.815 401 A HN 0.176 nan 8.150 nan 0.000 0.443 402 A N -0.597 122.061 122.820 -0.270 0.000 1.877 402 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 402 A C 2.124 179.605 177.584 -0.172 0.000 1.186 402 A CA 1.630 53.554 52.037 -0.188 0.000 0.620 402 A CB -0.616 18.330 19.000 -0.090 0.000 0.822 402 A HN 0.628 nan 8.150 nan 0.000 0.443 403 Q N -1.111 118.608 119.800 -0.135 0.000 2.061 403 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 403 Q C 2.120 178.034 176.000 -0.143 0.000 0.984 403 Q CA 1.615 57.360 55.803 -0.097 0.000 0.846 403 Q CB -0.395 28.338 28.738 -0.009 0.000 0.902 403 Q HN 0.592 nan 8.270 nan 0.000 0.421 404 L N 1.004 122.102 121.223 -0.208 0.000 2.017 404 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 404 L C 2.078 178.799 176.870 -0.248 0.000 1.073 404 L CA 1.872 56.569 54.840 -0.238 0.000 0.745 404 L CB -0.463 41.387 42.059 -0.347 0.000 0.894 404 L HN 0.184 nan 8.230 nan 0.000 0.432 405 Q N -0.663 118.950 119.800 -0.311 0.000 2.124 405 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 405 Q C 2.321 178.236 176.000 -0.141 0.000 0.977 405 Q CA 1.916 57.600 55.803 -0.199 0.000 0.850 405 Q CB -0.208 28.426 28.738 -0.174 0.000 0.901 405 Q HN 0.579 nan 8.270 nan 0.000 0.429 406 I N 0.627 121.109 120.570 -0.146 0.000 2.286 406 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 406 I C 2.303 178.310 176.117 -0.184 0.000 1.115 406 I CA 0.922 62.140 61.300 -0.138 0.000 1.392 406 I CB -0.285 37.637 38.000 -0.130 0.000 1.065 406 I HN 0.159 nan 8.210 nan 0.000 0.418 407 A N 0.151 122.871 122.820 -0.167 0.000 2.067 407 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 407 A C 2.237 179.738 177.584 -0.139 0.000 1.158 407 A CA 1.210 53.161 52.037 -0.143 0.000 0.661 407 A CB -0.471 18.470 19.000 -0.099 0.000 0.801 407 A HN 0.385 nan 8.150 nan 0.000 0.452 408 M N -1.498 117.991 119.600 -0.186 0.000 2.618 408 M HA 0.144 4.624 4.480 -0.000 0.000 0.240 408 M C 1.354 177.274 176.300 -0.633 0.000 1.123 408 M CA 0.848 55.990 55.300 -0.263 0.000 1.060 408 M CB 0.241 32.759 32.600 -0.137 0.000 1.535 408 M HN 0.627 nan 8.290 nan 0.000 0.507 409 G N 1.452 109.949 108.800 -0.505 0.000 2.159 409 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.227 409 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.227 409 G C 0.085 175.001 174.900 0.026 0.000 0.986 409 G CA -0.542 44.289 45.100 -0.448 0.000 0.651 409 G HN 0.426 nan 8.290 nan 0.000 0.523 410 I N 3.510 124.057 120.570 -0.040 0.000 2.533 410 I HA 0.215 4.385 4.170 -0.000 0.000 0.284 410 I C -1.130 175.028 176.117 0.069 0.000 1.109 410 I CA -1.774 59.522 61.300 -0.006 0.000 1.412 410 I CB 0.830 38.803 38.000 -0.045 0.000 1.396 410 I HN -0.013 nan 8.210 nan 0.000 0.543 411 P HA 0.000 nan 4.420 nan 0.000 0.272 411 P C 0.469 177.765 177.300 -0.007 0.000 1.223 411 P CA -0.424 62.722 63.100 0.076 0.000 0.784 411 P CB 0.847 32.401 31.700 -0.242 0.000 0.923 412 M N 2.612 122.294 119.600 0.138 0.000 2.108 412 M HA -0.226 4.254 4.480 -0.000 0.000 0.257 412 M C 2.044 178.458 176.300 0.190 0.000 1.071 412 M CA 1.971 57.334 55.300 0.105 0.000 1.093 412 M CB -1.393 31.195 32.600 -0.020 0.000 1.345 412 M HN 0.490 nan 8.290 nan 0.000 0.403 413 H N -1.941 117.240 119.070 0.185 0.000 2.561 413 H HA 0.071 4.627 4.556 -0.000 0.000 0.278 413 H C 0.709 176.024 175.328 -0.022 0.000 1.014 413 H CA 0.741 56.833 56.048 0.072 0.000 1.211 413 H CB -0.348 29.377 29.762 -0.062 0.000 1.365 413 H HN 0.277 nan 8.280 nan 0.000 0.594 414 R N 0.861 121.085 120.500 -0.460 0.000 2.468 414 R HA 0.353 4.693 4.340 -0.000 0.000 0.280 414 R C 0.038 176.315 176.300 -0.039 0.000 0.963 414 R CA -0.319 55.578 56.100 -0.338 0.000 1.083 414 R CB 0.193 30.188 30.300 -0.508 0.000 1.200 414 R HN 0.326 nan 8.270 nan 0.000 0.541 415 I N 0.781 121.351 120.570 0.001 0.000 2.297 415 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 415 I C 1.677 177.852 176.117 0.097 0.000 1.033 415 I CA -0.121 61.220 61.300 0.069 0.000 1.253 415 I CB 1.677 39.697 38.000 0.033 0.000 1.396 415 I HN 0.018 nan 8.210 nan 0.000 0.476 416 S N 3.937 119.719 115.700 0.137 0.000 2.372 416 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 416 S C 1.507 176.163 174.600 0.094 0.000 1.044 416 S CA 2.112 60.374 58.200 0.104 0.000 1.050 416 S CB -0.063 63.211 63.200 0.122 0.000 0.901 416 S HN 0.696 nan 8.310 nan 0.000 0.447 417 D N 0.696 121.157 120.400 0.102 0.000 2.178 417 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 417 D C 1.900 178.283 176.300 0.138 0.000 0.980 417 D CA 0.723 54.783 54.000 0.100 0.000 0.842 417 D CB -0.227 40.621 40.800 0.080 0.000 0.948 417 D HN 0.390 nan 8.370 nan 0.000 0.472 418 I N 0.648 121.313 120.570 0.157 0.000 2.286 418 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 418 I C 2.300 178.613 176.117 0.327 0.000 1.104 418 I CA 0.786 62.242 61.300 0.260 0.000 1.397 418 I CB -0.727 37.410 38.000 0.228 0.000 1.072 418 I HN 0.001 nan 8.210 nan 0.000 0.417 419 R N 0.306 120.925 120.500 0.199 0.000 2.083 419 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 419 R C 2.274 178.685 176.300 0.184 0.000 1.137 419 R CA 2.005 58.200 56.100 0.159 0.000 0.951 419 R CB -0.692 29.653 30.300 0.074 0.000 0.851 419 R HN 0.329 nan 8.270 nan 0.000 0.434 420 T N 1.831 116.473 114.554 0.146 0.000 2.746 420 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 420 T C 1.728 176.519 174.700 0.152 0.000 1.039 420 T CA 1.088 63.262 62.100 0.124 0.000 1.142 420 T CB -0.228 68.694 68.868 0.089 0.000 0.866 420 T HN 0.098 nan 8.240 nan 0.000 0.444 421 L N 0.197 121.533 121.223 0.188 0.000 2.127 421 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 421 L C 1.395 178.303 176.870 0.064 0.000 1.089 421 L CA 1.699 56.625 54.840 0.143 0.000 0.757 421 L CB -0.625 41.530 42.059 0.161 0.000 0.899 421 L HN 0.334 nan 8.230 nan 0.000 0.434 422 Y N -0.179 120.210 120.300 0.147 0.000 2.493 422 Y HA 0.370 4.920 4.550 -0.000 0.000 0.275 422 Y C 1.678 177.651 175.900 0.121 0.000 1.183 422 Y CA 0.198 58.392 58.100 0.157 0.000 1.258 422 Y CB -0.130 38.391 38.460 0.102 0.000 1.108 422 Y HN 0.266 nan 8.280 nan 0.000 0.521 423 G N 0.504 109.417 108.800 0.189 0.000 2.198 423 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 423 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 423 G C 0.071 175.041 174.900 0.116 0.000 1.025 423 G CA 0.107 45.288 45.100 0.136 0.000 0.769 423 G HN 0.102 nan 8.290 nan 0.000 0.507 424 M N -0.397 119.272 119.600 0.116 0.000 2.513 424 M HA 0.383 4.863 4.480 -0.000 0.000 0.291 424 M C 0.590 176.929 176.300 0.064 0.000 1.190 424 M CA -1.508 53.835 55.300 0.072 0.000 0.960 424 M CB 0.455 33.083 32.600 0.046 0.000 1.517 424 M HN 0.145 nan 8.290 nan 0.000 0.499 425 N N 3.632 122.365 118.700 0.055 0.000 2.420 425 N HA 0.123 4.863 4.740 -0.000 0.000 0.262 425 N C -1.880 173.656 175.510 0.044 0.000 1.144 425 N CA -1.404 51.692 53.050 0.076 0.000 0.952 425 N CB 1.006 39.547 38.487 0.090 0.000 1.081 425 N HN 0.303 nan 8.380 nan 0.000 0.480 426 P HA -0.105 nan 4.420 nan 0.000 0.222 426 P C 0.068 177.252 177.300 -0.194 0.000 1.147 426 P CA 1.383 64.407 63.100 -0.127 0.000 0.790 426 P CB 0.188 31.759 31.700 -0.214 0.000 0.780 427 H N -1.391 117.712 119.070 0.055 0.000 2.562 427 H HA 0.160 4.716 4.556 0.000 0.000 0.267 427 H C 1.260 176.592 175.328 0.006 0.000 0.959 427 H CA 0.085 56.166 56.048 0.055 0.000 1.204 427 H CB -0.226 29.564 29.762 0.048 0.000 1.430 427 H HN 0.080 nan 8.280 nan 0.000 0.545 428 S N 0.318 116.072 115.700 0.091 0.000 2.585 428 S HA 0.364 4.834 4.470 -0.000 0.000 0.273 428 S C 1.285 175.868 174.600 -0.029 0.000 1.339 428 S CA -0.084 58.133 58.200 0.028 0.000 1.028 428 S CB 0.820 64.035 63.200 0.024 0.000 0.906 428 S HN 0.427 nan 8.310 nan 0.000 0.528 429 A N 2.994 125.788 122.820 -0.044 0.000 2.387 429 A HA 0.358 4.678 4.320 -0.000 0.000 0.234 429 A C 0.860 178.455 177.584 0.019 0.000 1.253 429 A CA 0.100 52.099 52.037 -0.063 0.000 0.894 429 A CB -0.693 18.245 19.000 -0.102 0.000 0.963 429 A HN 1.076 nan 8.150 nan 0.000 0.508 430 S N 0.876 116.572 115.700 -0.006 0.000 2.558 430 S HA 0.122 4.592 4.470 -0.000 0.000 0.288 430 S C -0.053 174.505 174.600 -0.071 0.000 1.318 430 S CA -0.337 57.838 58.200 -0.043 0.000 1.056 430 S CB 0.510 63.674 63.200 -0.061 0.000 0.853 430 S HN 0.408 nan 8.310 nan 0.000 0.505 431 E N 1.345 121.420 120.200 -0.210 0.000 2.398 431 E HA 0.256 4.606 4.350 -0.000 0.000 0.263 431 E C -0.151 176.217 176.600 -0.387 0.000 1.046 431 E CA 0.077 56.211 56.400 -0.443 0.000 0.908 431 E CB 0.662 30.115 29.700 -0.411 0.000 0.963 431 E HN 0.640 nan 8.360 nan 0.000 0.431 432 I N 1.870 122.124 120.570 -0.527 0.000 2.378 432 I HA 0.058 4.228 4.170 -0.000 0.000 0.291 432 I C 0.269 175.859 176.117 -0.878 0.000 0.992 432 I CA -0.627 60.216 61.300 -0.762 0.000 1.154 432 I CB 1.431 38.733 38.000 -1.164 0.000 1.315 432 I HN 0.215 nan 8.210 nan 0.000 0.448 433 D N 6.755 126.733 120.400 -0.704 0.000 2.453 433 D HA 0.108 4.748 4.640 -0.000 0.000 0.223 433 D C 0.501 176.462 176.300 -0.564 0.000 1.183 433 D CA -0.272 53.428 54.000 -0.499 0.000 0.933 433 D CB 0.395 40.978 40.800 -0.360 0.000 1.038 433 D HN 0.269 nan 8.370 nan 0.000 0.513 434 F N 1.892 121.708 119.950 -0.224 0.000 2.772 434 F HA 0.038 4.565 4.527 0.000 0.000 0.301 434 F C 1.640 177.516 175.800 0.127 0.000 1.250 434 F CA 0.524 58.459 58.000 -0.108 0.000 1.441 434 F CB 0.113 39.053 39.000 -0.099 0.000 1.112 434 F HN 0.428 nan 8.300 nan 0.000 0.563 435 E N -2.012 118.317 120.200 0.216 0.000 2.665 435 E HA 0.102 4.452 4.350 -0.000 0.000 0.225 435 E C -0.158 176.690 176.600 0.415 0.000 0.922 435 E CA -0.156 56.431 56.400 0.310 0.000 1.242 435 E CB 0.352 30.157 29.700 0.175 0.000 1.197 435 E HN 0.113 nan 8.360 nan 0.000 0.581 436 F N 1.395 121.369 119.950 0.040 0.000 2.969 436 F HA -0.291 4.236 4.527 -0.000 0.000 0.273 436 F C 1.117 176.924 175.800 0.012 0.000 0.986 436 F CA 0.592 58.606 58.000 0.023 0.000 0.926 436 F CB -1.686 37.339 39.000 0.041 0.000 0.887 436 F HN 0.000 nan 8.300 nan 0.000 0.816 437 K N -0.363 120.095 120.400 0.096 0.000 2.017 437 K HA 0.016 4.336 4.320 -0.000 0.000 0.207 437 K C 1.293 177.917 176.600 0.040 0.000 1.035 437 K CA 1.205 57.531 56.287 0.065 0.000 0.947 437 K CB -0.232 32.289 32.500 0.034 0.000 0.749 437 K HN 0.458 nan 8.250 nan 0.000 0.443 438 T N 1.183 115.738 114.554 0.002 0.000 2.940 438 T HA -0.065 4.285 4.350 -0.000 0.000 0.309 438 T C 1.127 175.833 174.700 0.010 0.000 1.056 438 T CA -0.308 61.788 62.100 -0.007 0.000 1.137 438 T CB 1.072 69.917 68.868 -0.038 0.000 0.976 438 T HN 0.358 nan 8.240 nan 0.000 0.547 439 Q N 0.954 120.762 119.800 0.014 0.000 2.364 439 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 439 Q C 1.253 177.263 176.000 0.017 0.000 0.977 439 Q CA 1.707 57.525 55.803 0.026 0.000 0.885 439 Q CB -0.309 28.441 28.738 0.020 0.000 0.941 439 Q HN 0.819 nan 8.270 nan 0.000 0.464 440 D N 0.313 120.709 120.400 -0.006 0.000 2.347 440 D HA 0.058 4.698 4.640 -0.000 0.000 0.213 440 D C 1.652 177.929 176.300 -0.038 0.000 0.985 440 D CA 0.903 54.891 54.000 -0.020 0.000 0.879 440 D CB 0.150 40.929 40.800 -0.035 0.000 0.919 440 D HN 0.393 nan 8.370 nan 0.000 0.526 441 A N -0.392 122.400 122.820 -0.048 0.000 1.855 441 A HA -0.072 4.248 4.320 -0.000 0.000 0.213 441 A C 2.307 179.880 177.584 -0.017 0.000 1.195 441 A CA 1.867 53.833 52.037 -0.120 0.000 0.610 441 A CB -1.208 17.678 19.000 -0.189 0.000 0.837 441 A HN 0.368 nan 8.150 nan 0.000 0.444 442 T N -1.590 113.047 114.554 0.139 0.000 2.977 442 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 442 T C 1.682 176.473 174.700 0.152 0.000 1.105 442 T CA 1.626 63.889 62.100 0.270 0.000 1.116 442 T CB -0.185 68.811 68.868 0.212 0.000 0.878 442 T HN 0.562 nan 8.240 nan 0.000 0.509 443 K N 1.395 121.841 120.400 0.077 0.000 2.044 443 K HA 0.054 4.374 4.320 -0.000 0.000 0.204 443 K C 1.957 178.582 176.600 0.042 0.000 1.045 443 K CA 0.720 57.038 56.287 0.050 0.000 0.951 443 K CB 0.029 32.544 32.500 0.025 0.000 0.738 443 K HN 0.266 nan 8.250 nan 0.000 0.443 444 K N 0.303 120.711 120.400 0.014 0.000 2.404 444 K HA 0.075 4.395 4.320 -0.000 0.000 0.194 444 K C 0.190 176.796 176.600 0.011 0.000 1.023 444 K CA 0.172 56.459 56.287 -0.000 0.000 1.094 444 K CB 0.680 33.157 32.500 -0.038 0.000 0.841 444 K HN 0.211 nan 8.250 nan 0.000 0.523 445 Q N 0.162 119.990 119.800 0.047 0.000 2.416 445 Q HA 0.395 4.735 4.340 -0.000 0.000 0.279 445 Q C -0.697 175.484 176.000 0.302 0.000 1.101 445 Q CA -1.098 54.774 55.803 0.115 0.000 0.830 445 Q CB 1.869 30.535 28.738 -0.121 0.000 1.402 445 Q HN -0.125 nan 8.270 nan 0.000 0.445 446 R N 1.157 121.864 120.500 0.346 0.000 2.534 446 R HA 0.417 4.757 4.340 -0.000 0.000 0.301 446 R C -0.874 175.618 176.300 0.320 0.000 0.961 446 R CA -0.712 55.553 56.100 0.275 0.000 0.871 446 R CB 1.523 31.918 30.300 0.158 0.000 1.170 446 R HN 0.564 nan 8.270 nan 0.000 0.446 447 R N 2.770 123.331 120.500 0.101 0.000 2.401 447 R HA 0.183 4.523 4.340 -0.000 0.000 0.299 447 R C -2.018 174.265 176.300 -0.029 0.000 1.064 447 R CA -1.576 54.466 56.100 -0.097 0.000 1.000 447 R CB -0.167 29.944 30.300 -0.314 0.000 0.973 447 R HN 0.199 nan 8.270 nan 0.000 0.438 448 P HA -0.046 nan 4.420 nan 0.000 0.261 448 P C -0.550 176.912 177.300 0.270 0.000 1.183 448 P CA 0.520 63.622 63.100 0.002 0.000 0.761 448 P CB 0.406 31.968 31.700 -0.229 0.000 0.785 449 I N 5.007 125.719 120.570 0.236 0.000 2.498 449 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 449 I C -2.585 173.468 176.117 -0.108 0.000 1.032 449 I CA -3.144 58.192 61.300 0.060 0.000 1.073 449 I CB 2.430 40.437 38.000 0.012 0.000 1.251 449 I HN 0.180 nan 8.210 nan 0.000 0.426 450 P HA 0.061 nan 4.420 nan 0.000 0.265 450 P C -1.405 175.786 177.300 -0.182 0.000 1.193 450 P CA -0.185 62.524 63.100 -0.652 0.000 0.765 450 P CB 0.377 31.567 31.700 -0.850 0.000 0.823 451 K N 3.238 123.626 120.400 -0.020 0.000 2.231 451 K HA 0.485 4.805 4.320 -0.000 0.000 0.275 451 K C 0.799 177.544 176.600 0.241 0.000 1.105 451 K CA 0.534 56.889 56.287 0.114 0.000 0.931 451 K CB -0.710 31.875 32.500 0.142 0.000 1.296 451 K HN 0.697 nan 8.250 nan 0.000 0.446 452 G N 2.599 111.471 108.800 0.121 0.000 2.539 452 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 452 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 452 G C -1.057 173.772 174.900 -0.118 0.000 1.233 452 G CA 0.270 45.345 45.100 -0.043 0.000 0.936 452 G HN 0.885 nan 8.290 nan 0.000 0.571 453 H N -1.805 116.983 119.070 -0.470 0.000 2.996 453 H HA 0.605 5.161 4.556 -0.000 0.000 0.368 453 H C -0.770 174.399 175.328 -0.266 0.000 1.185 453 H CA 0.041 55.908 56.048 -0.301 0.000 1.160 453 H CB 1.949 31.539 29.762 -0.287 0.000 1.820 453 H HN 1.146 nan 8.280 nan 0.000 0.547 454 C N 4.046 123.071 119.300 -0.458 0.000 2.482 454 C HA 0.705 5.165 4.460 -0.000 0.000 0.317 454 C C -0.869 174.033 174.990 -0.147 0.000 1.197 454 C CA -0.082 58.867 59.018 -0.116 0.000 1.432 454 C CB 0.533 28.317 27.740 0.072 0.000 2.062 454 C HN 0.896 nan 8.230 nan 0.000 0.471 455 T N 4.499 119.082 114.554 0.048 0.000 2.797 455 T HA 0.750 5.100 4.350 -0.000 0.000 0.279 455 T C -0.275 174.470 174.700 0.076 0.000 0.991 455 T CA -0.186 61.948 62.100 0.057 0.000 0.979 455 T CB 1.449 70.362 68.868 0.074 0.000 0.943 455 T HN 1.078 nan 8.240 nan 0.000 0.444 456 A N 1.836 124.679 122.820 0.039 0.000 2.355 456 A HA 0.716 5.036 4.320 -0.000 0.000 0.317 456 A C -0.494 177.050 177.584 -0.067 0.000 1.094 456 A CA -0.614 51.387 52.037 -0.059 0.000 0.764 456 A CB 0.807 19.779 19.000 -0.048 0.000 1.230 456 A HN 0.922 nan 8.150 nan 0.000 0.448 457 C N 1.484 120.708 119.300 -0.128 0.000 2.408 457 C HA 0.647 5.107 4.460 -0.000 0.000 0.321 457 C C 0.482 175.384 174.990 -0.147 0.000 1.245 457 C CA -0.621 58.334 59.018 -0.105 0.000 1.523 457 C CB 1.138 28.793 27.740 -0.141 0.000 2.178 457 C HN 1.001 nan 8.230 nan 0.000 0.488 458 R N 3.251 123.667 120.500 -0.140 0.000 2.340 458 R HA 0.689 5.029 4.340 -0.000 0.000 0.300 458 R C -0.457 175.720 176.300 -0.205 0.000 1.069 458 R CA -0.076 55.810 56.100 -0.357 0.000 0.984 458 R CB 0.408 30.579 30.300 -0.216 0.000 1.003 458 R HN 0.856 nan 8.270 nan 0.000 0.459 459 I N 0.123 120.562 120.570 -0.220 0.000 2.846 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.307 459 I C -0.766 175.386 176.117 0.058 0.000 1.053 459 I CA -0.859 60.416 61.300 -0.041 0.000 1.050 459 I CB 2.530 40.504 38.000 -0.043 0.000 1.239 459 I HN 0.693 nan 8.210 nan 0.000 0.439 460 T N 0.459 115.081 114.554 0.113 0.000 2.883 460 T HA 0.778 5.128 4.350 -0.000 0.000 0.301 460 T C -0.539 174.022 174.700 -0.232 0.000 1.158 460 T CA -0.463 61.654 62.100 0.028 0.000 1.007 460 T CB 1.676 70.559 68.868 0.025 0.000 1.186 460 T HN 1.081 nan 8.240 nan 0.000 0.499 461 S N 0.065 115.498 115.700 -0.444 0.000 2.618 461 S HA 0.633 5.103 4.470 -0.000 0.000 0.277 461 S C -1.190 173.153 174.600 -0.428 0.000 1.138 461 S CA -0.974 56.722 58.200 -0.841 0.000 0.844 461 S CB 1.992 64.116 63.200 -1.794 0.000 1.127 461 S HN 1.039 nan 8.310 nan 0.000 0.474 462 E N 0.686 120.656 120.200 -0.383 0.000 2.081 462 E HA 0.216 4.566 4.350 -0.000 0.000 0.281 462 E C -1.342 175.158 176.600 -0.167 0.000 0.986 462 E CA -0.266 56.012 56.400 -0.203 0.000 0.796 462 E CB 0.643 30.250 29.700 -0.154 0.000 1.085 462 E HN 0.620 nan 8.360 nan 0.000 0.398 463 D N 6.527 126.875 120.400 -0.086 0.000 2.607 463 D HA 0.270 4.910 4.640 -0.000 0.000 0.318 463 D C -2.459 173.848 176.300 0.012 0.000 1.212 463 D CA -2.002 51.979 54.000 -0.031 0.000 0.861 463 D CB 0.859 41.669 40.800 0.016 0.000 1.064 463 D HN 0.280 nan 8.370 nan 0.000 0.500 464 P HA 0.038 nan 4.420 nan 0.000 0.267 464 P C -0.094 177.229 177.300 0.040 0.000 1.200 464 P CA -0.256 62.857 63.100 0.023 0.000 0.772 464 P CB 0.511 32.221 31.700 0.016 0.000 0.855 465 N N 2.756 121.478 118.700 0.036 0.000 2.439 465 N HA 0.012 4.752 4.740 -0.000 0.000 0.243 465 N C -0.417 175.098 175.510 0.008 0.000 1.088 465 N CA 0.137 53.200 53.050 0.021 0.000 0.940 465 N CB 0.079 38.569 38.487 0.005 0.000 1.180 465 N HN 0.253 nan 8.380 nan 0.000 0.505 466 D N 2.315 122.732 120.400 0.028 0.000 2.363 466 D HA 0.163 4.803 4.640 -0.000 0.000 0.214 466 D C 1.210 177.379 176.300 -0.219 0.000 1.093 466 D CA 0.177 54.184 54.000 0.011 0.000 0.837 466 D CB 0.349 41.269 40.800 0.200 0.000 0.948 466 D HN 0.769 nan 8.370 nan 0.000 0.507 467 G N 0.777 109.437 108.800 -0.233 0.000 2.175 467 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 467 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 467 G C 0.023 174.607 174.900 -0.527 0.000 0.982 467 G CA -0.425 44.433 45.100 -0.402 0.000 0.641 467 G HN 0.301 nan 8.290 nan 0.000 0.527 468 F N 0.537 120.486 119.950 -0.003 0.000 2.443 468 F HA 0.643 5.170 4.527 -0.000 0.000 0.335 468 F C 0.636 176.437 175.800 0.002 0.000 1.104 468 F CA -1.286 56.714 58.000 -0.000 0.000 1.013 468 F CB 1.628 40.629 39.000 0.000 0.000 1.136 468 F HN -0.068 nan 8.300 nan 0.000 0.470 469 K N 4.426 124.935 120.400 0.181 0.000 2.453 469 K HA 0.184 4.504 4.320 -0.000 0.000 0.280 469 K C -2.419 174.247 176.600 0.110 0.000 1.045 469 K CA -0.864 55.487 56.287 0.107 0.000 1.059 469 K CB 0.105 32.654 32.500 0.082 0.000 0.901 469 K HN 0.237 nan 8.250 nan 0.000 0.475 470 P HA 0.198 nan 4.420 nan 0.000 0.289 470 P C -0.843 176.517 177.300 0.100 0.000 1.299 470 P CA -0.641 62.515 63.100 0.094 0.000 0.766 470 P CB 0.559 32.320 31.700 0.102 0.000 1.226 471 S N -0.152 115.614 115.700 0.111 0.000 2.525 471 S HA 0.314 4.784 4.470 -0.000 0.000 0.285 471 S C 0.845 175.577 174.600 0.220 0.000 1.283 471 S CA -0.145 58.150 58.200 0.157 0.000 1.072 471 S CB -0.395 62.891 63.200 0.143 0.000 0.867 471 S HN 0.677 nan 8.310 nan 0.000 0.492 472 G N 2.360 111.237 108.800 0.128 0.000 2.583 472 G HA2 0.408 4.368 3.960 -0.000 0.000 0.230 472 G HA3 0.408 4.368 3.960 -0.000 0.000 0.230 472 G C 0.713 175.635 174.900 0.036 0.000 1.249 472 G CA 0.067 45.209 45.100 0.071 0.000 0.857 472 G HN 1.301 nan 8.290 nan 0.000 0.569 473 G N 0.079 108.867 108.800 -0.020 0.000 2.796 473 G HA2 0.103 4.063 3.960 -0.000 0.000 0.226 473 G HA3 0.103 4.063 3.960 -0.000 0.000 0.226 473 G C 0.905 175.722 174.900 -0.138 0.000 1.381 473 G CA 0.777 45.819 45.100 -0.096 0.000 0.867 473 G HN 1.915 nan 8.290 nan 0.000 0.552 474 T N -2.733 111.707 114.554 -0.189 0.000 3.026 474 T HA 0.456 4.806 4.350 -0.000 0.000 0.245 474 T C 1.082 175.567 174.700 -0.360 0.000 1.004 474 T CA 1.051 63.057 62.100 -0.157 0.000 1.069 474 T CB 0.194 69.060 68.868 -0.003 0.000 1.005 474 T HN 1.327 nan 8.240 nan 0.000 0.472 475 L N 3.954 124.963 121.223 -0.356 0.000 2.278 475 L HA 0.357 4.697 4.340 -0.000 0.000 0.287 475 L C -1.008 175.517 176.870 -0.574 0.000 1.072 475 L CA -0.561 54.081 54.840 -0.330 0.000 0.819 475 L CB -0.098 41.884 42.059 -0.129 0.000 1.176 475 L HN 0.285 nan 8.230 nan 0.000 0.435 476 H N 4.970 123.792 119.070 -0.414 0.000 2.595 476 H HA 0.363 4.919 4.556 -0.000 0.000 0.313 476 H C -0.643 174.385 175.328 -0.499 0.000 1.023 476 H CA -0.494 55.194 56.048 -0.601 0.000 1.218 476 H CB 0.869 29.857 29.762 -1.289 0.000 1.403 476 H HN 0.637 nan 8.280 nan 0.000 0.477 477 E N 3.122 123.213 120.200 -0.181 0.000 2.277 477 E HA 0.333 4.683 4.350 -0.000 0.000 0.274 477 E C -0.164 176.262 176.600 -0.290 0.000 1.022 477 E CA -0.717 55.574 56.400 -0.182 0.000 0.853 477 E CB 1.831 31.552 29.700 0.035 0.000 1.086 477 E HN 0.393 nan 8.360 nan 0.000 0.397 478 L N 3.098 124.000 121.223 -0.534 0.000 2.301 478 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 478 L C -0.609 175.802 176.870 -0.765 0.000 1.022 478 L CA -0.479 53.936 54.840 -0.709 0.000 0.854 478 L CB 0.460 41.979 42.059 -0.900 0.000 1.226 478 L HN 0.406 nan 8.230 nan 0.000 0.429 479 N N 3.457 121.869 118.700 -0.480 0.000 2.699 479 N HA 0.359 5.099 4.740 -0.000 0.000 0.232 479 N C -0.711 174.651 175.510 -0.246 0.000 1.027 479 N CA -0.460 52.456 53.050 -0.222 0.000 0.920 479 N CB 0.557 39.018 38.487 -0.044 0.000 1.148 479 N HN 0.255 nan 8.380 nan 0.000 0.509 480 F N 0.986 120.935 119.950 -0.001 0.000 2.553 480 F HA 0.111 4.638 4.527 -0.000 0.000 0.356 480 F C 1.975 177.777 175.800 0.003 0.000 1.142 480 F CA -0.162 57.831 58.000 -0.011 0.000 1.322 480 F CB 0.750 39.740 39.000 -0.017 0.000 1.126 480 F HN 0.319 nan 8.300 nan 0.000 0.599 481 R N 0.539 121.152 120.500 0.188 0.000 2.156 481 R HA -0.017 4.323 4.340 -0.000 0.000 0.207 481 R C 1.880 178.233 176.300 0.089 0.000 1.040 481 R CA 1.226 57.387 56.100 0.103 0.000 1.013 481 R CB -0.725 29.615 30.300 0.068 0.000 0.931 481 R HN 0.676 nan 8.270 nan 0.000 0.465 482 S N -0.140 115.618 115.700 0.097 0.000 2.501 482 S HA 0.119 4.589 4.470 -0.000 0.000 0.220 482 S C 0.690 175.291 174.600 0.001 0.000 0.997 482 S CA -0.314 57.908 58.200 0.037 0.000 0.919 482 S CB 0.274 63.483 63.200 0.016 0.000 0.778 482 S HN -0.033 nan 8.310 nan 0.000 0.523 483 S N 0.843 116.555 115.700 0.020 0.000 2.500 483 S HA 0.540 5.010 4.470 -0.000 0.000 0.301 483 S C 0.275 174.885 174.600 0.015 0.000 1.092 483 S CA -0.795 57.377 58.200 -0.047 0.000 1.030 483 S CB 2.034 65.163 63.200 -0.119 0.000 1.031 483 S HN 0.240 nan 8.310 nan 0.000 0.483 484 S N 1.853 117.527 115.700 -0.044 0.000 2.470 484 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 484 S C 0.963 175.594 174.600 0.051 0.000 1.024 484 S CA 0.166 58.373 58.200 0.012 0.000 0.931 484 S CB -0.048 63.145 63.200 -0.012 0.000 0.791 484 S HN 0.670 nan 8.310 nan 0.000 0.513 485 N N 1.521 120.236 118.700 0.025 0.000 2.273 485 N HA 0.213 4.953 4.740 -0.000 0.000 0.231 485 N C -0.773 174.877 175.510 0.233 0.000 1.134 485 N CA 0.187 53.331 53.050 0.156 0.000 0.856 485 N CB 1.168 39.813 38.487 0.264 0.000 1.068 485 N HN 0.132 nan 8.380 nan 0.000 0.510 486 V N 0.739 120.788 119.914 0.226 0.000 2.709 486 V HA 0.520 4.640 4.120 -0.000 0.000 0.308 486 V C -1.206 175.204 176.094 0.527 0.000 1.062 486 V CA -0.953 61.527 62.300 0.300 0.000 0.901 486 V CB 2.691 34.544 31.823 0.050 0.000 1.003 486 V HN 0.252 nan 8.190 nan 0.000 0.425 487 W N 2.908 124.440 121.300 0.386 0.000 3.127 487 W HA 0.797 5.457 4.660 -0.000 0.000 0.330 487 W C -0.179 176.610 176.519 0.449 0.000 1.187 487 W CA -0.089 57.484 57.345 0.380 0.000 1.198 487 W CB 2.160 31.774 29.460 0.257 0.000 1.408 487 W HN 0.889 nan 8.180 nan 0.000 0.529 488 G N 2.273 110.597 108.800 -0.794 0.000 2.645 488 G HA2 0.689 4.649 3.960 -0.000 0.000 0.292 488 G HA3 0.689 4.649 3.960 -0.000 0.000 0.292 488 G C -2.183 172.065 174.900 -1.087 0.000 1.415 488 G CA -0.214 44.477 45.100 -0.680 0.000 0.785 488 G HN 1.181 nan 8.290 nan 0.000 0.483 489 Y N -1.826 118.145 120.300 -0.549 0.000 2.713 489 Y HA 0.807 5.357 4.550 -0.000 0.000 0.335 489 Y C -1.654 174.272 175.900 0.044 0.000 1.222 489 Y CA -2.415 55.487 58.100 -0.330 0.000 1.061 489 Y CB 1.209 39.535 38.460 -0.223 0.000 1.314 489 Y HN 1.392 nan 8.280 nan 0.000 0.453 490 F N -0.080 119.804 119.950 -0.110 0.000 2.703 490 F HA 0.887 5.414 4.527 -0.000 0.000 0.308 490 F C -1.296 174.586 175.800 0.136 0.000 1.126 490 F CA -0.391 57.542 58.000 -0.111 0.000 0.959 490 F CB 1.631 40.644 39.000 0.021 0.000 1.297 490 F HN 1.155 nan 8.300 nan 0.000 0.441 491 S N 0.942 116.755 115.700 0.188 0.000 2.636 491 S HA 0.644 5.114 4.470 -0.000 0.000 0.266 491 S C -1.845 172.780 174.600 0.041 0.000 1.147 491 S CA -0.683 57.583 58.200 0.110 0.000 0.815 491 S CB 1.142 64.358 63.200 0.026 0.000 1.119 491 S HN 1.485 nan 8.310 nan 0.000 0.470 492 V N 0.320 120.320 119.914 0.144 0.000 3.083 492 V HA 0.725 4.845 4.120 -0.000 0.000 0.306 492 V C 0.769 177.028 176.094 0.274 0.000 1.077 492 V CA 0.403 62.847 62.300 0.241 0.000 1.073 492 V CB 1.333 33.305 31.823 0.249 0.000 1.081 492 V HN 1.429 nan 8.190 nan 0.000 0.474 493 G N 4.137 113.246 108.800 0.515 0.000 4.190 493 G HA2 0.265 4.225 3.960 -0.000 0.000 0.328 493 G HA3 0.265 4.225 3.960 -0.000 0.000 0.328 493 G C -0.159 174.980 174.900 0.399 0.000 1.364 493 G CA -0.577 44.857 45.100 0.555 0.000 1.259 493 G HN 0.670 nan 8.290 nan 0.000 0.525 494 N N 1.687 120.591 118.700 0.340 0.000 2.479 494 N HA 0.023 4.763 4.740 -0.000 0.000 0.257 494 N C 0.572 176.306 175.510 0.373 0.000 1.232 494 N CA 0.123 53.380 53.050 0.345 0.000 0.920 494 N CB 0.467 39.147 38.487 0.321 0.000 1.105 494 N HN 0.474 nan 8.380 nan 0.000 0.444 495 N N -0.961 117.947 118.700 0.347 0.000 2.714 495 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 495 N C 0.378 176.118 175.510 0.383 0.000 1.024 495 N CA 0.922 54.175 53.050 0.338 0.000 0.726 495 N CB -1.400 37.328 38.487 0.402 0.000 0.908 495 N HN 0.688 nan 8.380 nan 0.000 0.542 496 G N 0.278 109.254 108.800 0.293 0.000 2.535 496 G HA2 0.118 4.078 3.960 -0.000 0.000 0.282 496 G HA3 0.118 4.078 3.960 -0.000 0.000 0.282 496 G C 0.914 175.909 174.900 0.159 0.000 1.350 496 G CA -0.085 45.160 45.100 0.242 0.000 1.039 496 G HN 0.333 nan 8.290 nan 0.000 0.509 497 N N -1.158 117.597 118.700 0.091 0.000 2.416 497 N HA 0.018 4.758 4.740 -0.000 0.000 0.177 497 N C 1.730 177.211 175.510 -0.049 0.000 1.036 497 N CA 0.419 53.493 53.050 0.040 0.000 0.901 497 N CB 0.115 38.622 38.487 0.033 0.000 0.976 497 N HN 0.489 nan 8.380 nan 0.000 0.444 498 I N -0.846 119.645 120.570 -0.133 0.000 3.445 498 I HA 0.064 4.234 4.170 -0.000 0.000 0.288 498 I C -0.046 175.756 176.117 -0.524 0.000 1.198 498 I CA 0.228 61.312 61.300 -0.359 0.000 1.417 498 I CB 0.240 37.930 38.000 -0.517 0.000 1.205 498 I HN 0.017 nan 8.210 nan 0.000 0.448 499 H N 0.245 119.303 119.070 -0.019 0.000 2.609 499 H HA 0.274 4.830 4.556 0.000 0.000 0.344 499 H C 0.661 175.974 175.328 -0.026 0.000 1.040 499 H CA -0.231 55.775 56.048 -0.070 0.000 1.216 499 H CB 1.919 31.646 29.762 -0.058 0.000 1.529 499 H HN -0.007 nan 8.280 nan 0.000 0.519 500 S N 2.576 118.276 115.700 0.000 0.000 2.496 500 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 500 S C 0.381 175.120 174.600 0.233 0.000 0.996 500 S CA 0.195 58.450 58.200 0.093 0.000 0.927 500 S CB -0.275 62.965 63.200 0.067 0.000 0.774 500 S HN 0.459 nan 8.310 nan 0.000 0.524 501 F N -1.241 118.818 119.950 0.181 0.000 2.719 501 F HA 0.826 5.353 4.527 0.000 0.000 0.309 501 F C -0.943 174.932 175.800 0.125 0.000 1.138 501 F CA -1.111 56.984 58.000 0.157 0.000 0.943 501 F CB 1.126 40.199 39.000 0.121 0.000 1.304 501 F HN -0.040 nan 8.300 nan 0.000 0.445 502 S N 0.010 115.981 115.700 0.451 0.000 2.588 502 S HA 0.386 4.856 4.470 -0.000 0.000 0.269 502 S C -0.832 173.912 174.600 0.240 0.000 1.157 502 S CA -0.514 57.831 58.200 0.242 0.000 0.824 502 S CB 1.645 64.861 63.200 0.027 0.000 1.126 502 S HN 0.735 nan 8.310 nan 0.000 0.464 503 D N 1.297 121.785 120.400 0.147 0.000 2.289 503 D HA 0.123 4.763 4.640 -0.000 0.000 0.207 503 D C 0.217 176.571 176.300 0.091 0.000 0.966 503 D CA 0.576 54.643 54.000 0.111 0.000 0.868 503 D CB 0.040 40.880 40.800 0.067 0.000 0.943 503 D HN 0.385 nan 8.370 nan 0.000 0.514 504 S N 1.329 117.077 115.700 0.079 0.000 2.533 504 S HA 0.147 4.617 4.470 -0.000 0.000 0.282 504 S C 0.296 175.037 174.600 0.236 0.000 1.304 504 S CA -0.146 58.109 58.200 0.091 0.000 1.063 504 S CB 1.036 64.257 63.200 0.035 0.000 0.881 504 S HN 0.096 nan 8.310 nan 0.000 0.493 505 Q N 2.005 121.934 119.800 0.214 0.000 2.342 505 Q HA 0.665 5.005 4.340 -0.000 0.000 0.267 505 Q C -0.998 175.218 176.000 0.360 0.000 1.038 505 Q CA -0.706 55.288 55.803 0.318 0.000 0.832 505 Q CB 1.777 30.698 28.738 0.305 0.000 1.323 505 Q HN 0.686 nan 8.270 nan 0.000 0.448 506 F N -1.373 118.685 119.950 0.179 0.000 2.626 506 F HA 0.961 5.488 4.527 0.000 0.000 0.311 506 F C -0.124 175.727 175.800 0.085 0.000 1.088 506 F CA -0.877 57.177 58.000 0.091 0.000 0.949 506 F CB 1.360 40.397 39.000 0.062 0.000 1.322 506 F HN 0.638 nan 8.300 nan 0.000 0.461 507 G N 0.148 108.870 108.800 -0.129 0.000 2.500 507 G HA2 0.555 4.515 3.960 -0.000 0.000 0.299 507 G HA3 0.555 4.515 3.960 -0.000 0.000 0.299 507 G C -2.468 171.968 174.900 -0.775 0.000 1.242 507 G CA -0.797 43.922 45.100 -0.635 0.000 0.859 507 G HN 0.955 nan 8.290 nan 0.000 0.481 508 H N -1.609 116.969 119.070 -0.820 0.000 3.016 508 H HA 0.716 5.272 4.556 -0.000 0.000 0.362 508 H C -0.831 174.208 175.328 -0.482 0.000 1.233 508 H CA -0.495 55.260 56.048 -0.488 0.000 1.124 508 H CB 2.190 31.682 29.762 -0.450 0.000 1.850 508 H HN 0.450 nan 8.280 nan 0.000 0.549 509 I N 2.096 122.468 120.570 -0.330 0.000 2.465 509 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 509 I C -1.121 174.835 176.117 -0.268 0.000 1.014 509 I CA -0.541 60.661 61.300 -0.163 0.000 1.093 509 I CB 1.307 39.257 38.000 -0.084 0.000 1.267 509 I HN 0.320 nan 8.210 nan 0.000 0.431 510 F N 4.612 124.723 119.950 0.268 0.000 2.444 510 F HA 0.702 5.229 4.527 -0.000 0.000 0.342 510 F C 0.319 176.255 175.800 0.226 0.000 1.121 510 F CA -0.607 57.539 58.000 0.243 0.000 0.997 510 F CB 1.881 41.059 39.000 0.297 0.000 1.130 510 F HN 0.376 nan 8.300 nan 0.000 0.454 511 A N 4.205 127.215 122.820 0.317 0.000 2.330 511 A HA 0.700 5.020 4.320 -0.000 0.000 0.313 511 A C -1.640 176.126 177.584 0.304 0.000 1.124 511 A CA -0.541 51.659 52.037 0.272 0.000 0.774 511 A CB 0.693 19.785 19.000 0.154 0.000 1.198 511 A HN 0.677 nan 8.150 nan 0.000 0.465 512 F N 2.260 122.333 119.950 0.204 0.000 2.432 512 F HA 0.766 5.293 4.527 -0.000 0.000 0.329 512 F C 0.455 176.388 175.800 0.222 0.000 1.076 512 F CA 0.296 58.399 58.000 0.173 0.000 1.018 512 F CB 1.842 40.923 39.000 0.135 0.000 1.201 512 F HN 0.782 nan 8.300 nan 0.000 0.489 513 G N 3.507 111.792 108.800 -0.859 0.000 2.698 513 G HA2 0.234 4.194 3.960 -0.000 0.000 0.293 513 G HA3 0.234 4.194 3.960 -0.000 0.000 0.293 513 G C -0.528 173.893 174.900 -0.799 0.000 1.437 513 G CA -0.625 44.143 45.100 -0.553 0.000 0.852 513 G HN 0.500 nan 8.290 nan 0.000 0.499 514 E N -0.419 119.573 120.200 -0.346 0.000 2.338 514 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 514 E C 0.731 177.200 176.600 -0.218 0.000 1.007 514 E CA 1.201 57.477 56.400 -0.207 0.000 0.849 514 E CB 0.017 29.687 29.700 -0.050 0.000 0.774 514 E HN 0.644 nan 8.360 nan 0.000 0.506 515 N N -2.097 116.444 118.700 -0.266 0.000 3.106 515 N HA 0.122 4.862 4.740 -0.000 0.000 0.253 515 N C 0.273 175.544 175.510 -0.399 0.000 1.506 515 N CA -0.709 52.182 53.050 -0.266 0.000 0.876 515 N CB 0.857 39.213 38.487 -0.217 0.000 1.452 515 N HN -0.258 nan 8.380 nan 0.000 0.542 516 R N -0.442 119.679 120.500 -0.631 0.000 2.073 516 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 516 R C 1.769 177.806 176.300 -0.438 0.000 1.134 516 R CA 1.959 57.510 56.100 -0.914 0.000 0.952 516 R CB -0.259 29.528 30.300 -0.855 0.000 0.850 516 R HN 0.768 nan 8.270 nan 0.000 0.433 517 Q N -0.304 119.306 119.800 -0.317 0.000 2.096 517 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 517 Q C 1.868 177.715 176.000 -0.254 0.000 0.982 517 Q CA 1.865 57.530 55.803 -0.229 0.000 0.850 517 Q CB -0.154 28.478 28.738 -0.177 0.000 0.901 517 Q HN 0.488 nan 8.270 nan 0.000 0.422 518 A N 0.617 123.252 122.820 -0.307 0.000 1.873 518 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 518 A C 2.244 179.471 177.584 -0.594 0.000 1.186 518 A CA 1.922 53.689 52.037 -0.451 0.000 0.616 518 A CB -0.898 17.866 19.000 -0.394 0.000 0.823 518 A HN 0.633 nan 8.150 nan 0.000 0.442 519 S N -0.146 115.341 115.700 -0.355 0.000 2.382 519 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 519 S C 2.026 176.557 174.600 -0.114 0.000 1.027 519 S CA 1.227 59.322 58.200 -0.175 0.000 0.991 519 S CB -0.496 62.720 63.200 0.027 0.000 0.823 519 S HN 0.588 nan 8.310 nan 0.000 0.469 520 R N 1.084 121.504 120.500 -0.134 0.000 2.092 520 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 520 R C 2.546 178.784 176.300 -0.103 0.000 1.119 520 R CA 1.179 57.221 56.100 -0.097 0.000 0.970 520 R CB -0.302 29.937 30.300 -0.102 0.000 0.864 520 R HN 0.359 nan 8.270 nan 0.000 0.440 521 K N 1.035 121.342 120.400 -0.156 0.000 2.002 521 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 521 K C 1.727 178.323 176.600 -0.006 0.000 1.048 521 K CA 1.761 57.984 56.287 -0.105 0.000 0.930 521 K CB -0.376 32.037 32.500 -0.145 0.000 0.714 521 K HN 0.452 nan 8.250 nan 0.000 0.438 522 H N -0.577 118.458 119.070 -0.059 0.000 2.421 522 H HA -0.138 4.418 4.556 -0.000 0.000 0.298 522 H C 2.070 177.330 175.328 -0.113 0.000 1.087 522 H CA 1.381 57.391 56.048 -0.063 0.000 1.330 522 H CB 0.019 29.771 29.762 -0.017 0.000 1.388 522 H HN 0.154 nan 8.280 nan 0.000 0.526 523 M N 0.697 120.306 119.600 0.015 0.000 2.086 523 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 523 M C 2.095 178.314 176.300 -0.134 0.000 1.067 523 M CA 1.209 56.462 55.300 -0.078 0.000 1.116 523 M CB -0.309 32.254 32.600 -0.062 0.000 1.348 523 M HN 0.043 nan 8.290 nan 0.000 0.407 524 V N -0.586 119.270 119.914 -0.097 0.000 2.287 524 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 524 V C 2.409 178.432 176.094 -0.119 0.000 1.053 524 V CA 1.885 64.123 62.300 -0.103 0.000 1.027 524 V CB -1.071 30.708 31.823 -0.074 0.000 0.646 524 V HN 0.428 nan 8.190 nan 0.000 0.447 525 V N 0.348 120.201 119.914 -0.101 0.000 2.287 525 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 525 V C 2.704 178.666 176.094 -0.219 0.000 1.053 525 V CA 2.185 64.416 62.300 -0.114 0.000 1.027 525 V CB -1.238 30.542 31.823 -0.072 0.000 0.646 525 V HN 0.575 nan 8.190 nan 0.000 0.447 526 A N -0.447 122.147 122.820 -0.376 0.000 1.930 526 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 526 A C 2.221 179.467 177.584 -0.564 0.000 1.175 526 A CA 1.649 53.191 52.037 -0.824 0.000 0.627 526 A CB -0.507 17.772 19.000 -1.202 0.000 0.815 526 A HN 0.504 nan 8.150 nan 0.000 0.443 527 L N -0.846 120.179 121.223 -0.331 0.000 2.093 527 L HA -0.187 4.154 4.340 -0.000 0.000 0.208 527 L C 2.555 179.351 176.870 -0.122 0.000 1.085 527 L CA 1.572 56.292 54.840 -0.200 0.000 0.755 527 L CB -0.364 41.591 42.059 -0.174 0.000 0.904 527 L HN 0.359 nan 8.230 nan 0.000 0.435 528 K N -0.209 120.124 120.400 -0.113 0.000 2.097 528 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 528 K C 2.035 178.617 176.600 -0.030 0.000 1.050 528 K CA 1.303 57.553 56.287 -0.061 0.000 0.938 528 K CB -0.056 32.411 32.500 -0.055 0.000 0.718 528 K HN 0.280 nan 8.250 nan 0.000 0.442 529 E N 0.993 121.175 120.200 -0.031 0.000 2.106 529 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 529 E C 2.013 178.666 176.600 0.088 0.000 0.984 529 E CA 0.618 57.048 56.400 0.050 0.000 0.806 529 E CB 0.059 29.833 29.700 0.124 0.000 0.750 529 E HN 0.110 nan 8.360 nan 0.000 0.458 530 L N 1.150 122.431 121.223 0.096 0.000 2.083 530 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 530 L C 2.325 179.190 176.870 -0.007 0.000 1.083 530 L CA 2.313 57.170 54.840 0.028 0.000 0.752 530 L CB -0.643 41.374 42.059 -0.070 0.000 0.899 530 L HN 0.193 nan 8.230 nan 0.000 0.433 531 S N -1.214 114.495 115.700 0.016 0.000 2.500 531 S HA -0.124 4.346 4.470 -0.000 0.000 0.239 531 S C 1.947 176.577 174.600 0.050 0.000 0.989 531 S CA 1.137 59.367 58.200 0.050 0.000 0.951 531 S CB -1.024 62.190 63.200 0.023 0.000 0.759 531 S HN 0.567 nan 8.310 nan 0.000 0.523 532 I N 0.899 121.492 120.570 0.039 0.000 2.493 532 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 532 I C 1.400 177.543 176.117 0.043 0.000 1.160 532 I CA 0.507 61.828 61.300 0.034 0.000 1.445 532 I CB -0.155 37.863 38.000 0.030 0.000 1.086 532 I HN 0.161 nan 8.210 nan 0.000 0.433 533 R N 0.776 121.315 120.500 0.066 0.000 2.590 533 R HA 0.083 4.423 4.340 -0.000 0.000 0.274 533 R C 1.413 177.766 176.300 0.088 0.000 1.061 533 R CA 0.340 56.495 56.100 0.092 0.000 1.081 533 R CB 0.432 30.830 30.300 0.163 0.000 0.984 533 R HN 0.164 nan 8.270 nan 0.000 0.448 534 G N 2.318 111.145 108.800 0.045 0.000 2.446 534 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 534 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 534 G C 0.677 175.557 174.900 -0.034 0.000 1.168 534 G CA 1.160 46.263 45.100 0.005 0.000 0.771 534 G HN 0.769 nan 8.290 nan 0.000 0.551 535 D N -0.435 119.920 120.400 -0.074 0.000 2.348 535 D HA 0.005 4.645 4.640 -0.000 0.000 0.216 535 D C 1.085 177.085 176.300 -0.500 0.000 0.970 535 D CA 0.368 54.196 54.000 -0.287 0.000 0.889 535 D CB -0.295 40.261 40.800 -0.405 0.000 0.912 535 D HN 0.433 nan 8.370 nan 0.000 0.524 536 F N -0.751 119.115 119.950 -0.140 0.000 2.683 536 F HA 0.382 4.909 4.527 -0.000 0.000 0.306 536 F C 1.834 177.587 175.800 -0.078 0.000 1.102 536 F CA -0.836 57.086 58.000 -0.132 0.000 1.244 536 F CB 0.449 39.352 39.000 -0.161 0.000 1.029 536 F HN -0.248 nan 8.300 nan 0.000 0.545 537 R N 1.172 121.708 120.500 0.060 0.000 2.117 537 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 537 R C 1.798 178.115 176.300 0.029 0.000 1.143 537 R CA 2.459 58.582 56.100 0.037 0.000 0.968 537 R CB -0.750 29.555 30.300 0.008 0.000 0.863 537 R HN 0.315 nan 8.270 nan 0.000 0.444 538 T N -5.469 109.094 114.554 0.016 0.000 3.087 538 T HA 0.074 4.424 4.350 -0.000 0.000 0.283 538 T C 1.173 175.900 174.700 0.045 0.000 0.956 538 T CA 0.239 62.353 62.100 0.023 0.000 0.894 538 T CB 0.068 68.940 68.868 0.007 0.000 1.160 538 T HN 0.254 nan 8.240 nan 0.000 0.532 539 T N 0.737 115.315 114.554 0.040 0.000 3.085 539 T HA 0.071 4.421 4.350 -0.000 0.000 0.263 539 T C 1.607 176.401 174.700 0.157 0.000 1.127 539 T CA 0.877 63.022 62.100 0.075 0.000 1.103 539 T CB -0.389 68.464 68.868 -0.024 0.000 0.921 539 T HN 0.547 nan 8.240 nan 0.000 0.510 540 V N -2.034 117.935 119.914 0.091 0.000 3.427 540 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 540 V C 1.939 177.975 176.094 -0.096 0.000 1.412 540 V CA 0.067 62.345 62.300 -0.038 0.000 1.086 540 V CB -0.072 31.727 31.823 -0.040 0.000 0.964 540 V HN 0.412 nan 8.190 nan 0.000 0.439 541 E N 1.717 121.925 120.200 0.013 0.000 2.077 541 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 541 E C 2.017 178.622 176.600 0.008 0.000 0.989 541 E CA 2.092 58.498 56.400 0.010 0.000 0.800 541 E CB -0.385 29.343 29.700 0.048 0.000 0.746 541 E HN 0.930 nan 8.360 nan 0.000 0.452 542 Y N 0.136 120.426 120.300 -0.017 0.000 2.333 542 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 542 Y C 1.796 177.684 175.900 -0.021 0.000 1.144 542 Y CA 0.919 59.008 58.100 -0.019 0.000 1.228 542 Y CB -0.433 38.015 38.460 -0.020 0.000 0.985 542 Y HN -0.017 nan 8.280 nan 0.000 0.542 543 L N 0.159 120.919 121.223 -0.770 0.000 2.072 543 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 543 L C 2.542 179.254 176.870 -0.262 0.000 1.079 543 L CA 1.080 55.555 54.840 -0.608 0.000 0.752 543 L CB -0.455 41.223 42.059 -0.636 0.000 0.906 543 L HN 0.263 nan 8.230 nan 0.000 0.436 544 I N -0.048 120.404 120.570 -0.197 0.000 2.226 544 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 544 I C 2.479 178.550 176.117 -0.077 0.000 1.100 544 I CA 1.446 62.676 61.300 -0.117 0.000 1.374 544 I CB -0.268 37.680 38.000 -0.088 0.000 1.057 544 I HN 0.227 nan 8.210 nan 0.000 0.413 545 K N 0.699 121.067 120.400 -0.054 0.000 2.057 545 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 545 K C 2.061 178.650 176.600 -0.017 0.000 1.050 545 K CA 1.168 57.443 56.287 -0.019 0.000 0.935 545 K CB -0.148 32.360 32.500 0.013 0.000 0.715 545 K HN 0.288 nan 8.250 nan 0.000 0.439 546 L N 0.822 122.032 121.223 -0.021 0.000 2.275 546 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 546 L C 2.030 178.882 176.870 -0.030 0.000 1.119 546 L CA 0.781 55.616 54.840 -0.009 0.000 0.790 546 L CB -0.190 41.873 42.059 0.008 0.000 0.919 546 L HN 0.183 nan 8.230 nan 0.000 0.443 547 L N -1.086 120.104 121.223 -0.055 0.000 2.375 547 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 547 L C 1.721 178.561 176.870 -0.050 0.000 1.108 547 L CA 0.569 55.374 54.840 -0.058 0.000 0.830 547 L CB -0.060 41.953 42.059 -0.078 0.000 0.959 547 L HN 0.219 nan 8.230 nan 0.000 0.457 548 E N -0.760 119.414 120.200 -0.044 0.000 2.463 548 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 548 E C 0.819 177.403 176.600 -0.027 0.000 1.041 548 E CA -0.161 56.216 56.400 -0.037 0.000 0.879 548 E CB 0.398 30.077 29.700 -0.035 0.000 0.997 548 E HN 0.185 nan 8.360 nan 0.000 0.478 549 T N 0.441 114.981 114.554 -0.023 0.000 2.698 549 T HA 0.370 4.720 4.350 -0.000 0.000 0.295 549 T C 0.088 174.778 174.700 -0.016 0.000 1.007 549 T CA 0.664 62.756 62.100 -0.014 0.000 0.980 549 T CB 0.694 69.558 68.868 -0.006 0.000 1.036 549 T HN 0.311 nan 8.240 nan 0.000 0.526 550 E N 0.000 120.193 120.200 -0.011 0.000 2.725 550 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 550 E CA 0.000 nan 56.400 nan 0.000 0.976 550 E CB 0.000 nan 29.700 nan 0.000 0.812 550 E HN 0.000 nan 8.360 nan 0.000 0.440