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 3ac0_1_C DATA FIRST_RESID 3 DATA SEQUENCE KFDVEQLLSE LNQDEKISLL SAVDFWHTKK IERLGIPAVR VSDGPNGIRG DATA SEQUENCE TKFFDGVPSG CFPNGTGLAS TFDRDLLETA GKLMAKESIA KNAAVILGPT DATA SEQUENCE TNMQRGPLGG RGFESFSEDP YLAGMATSSV VKGMQGEGIA ATVKHFVCND DATA SEQUENCE LEDQRFSSNS IVSERALREI YLEPFRLAVK HANPVCIMTA YNKVNGEHCS DATA SEQUENCE QSKKLLIDIL RDEWKWDGML MSDWFGTYTT AAAIKNGLDI EFPGPTRWRT DATA SEQUENCE RALVSHSLNS REQITTEDVD DRVRQVLKMI KFVVDNLEKT GIVENGPEST DATA SEQUENCE SNNTKETSDL LRKIAADSIV LLKNKNNILP LKKEDNIIVI GPNAKAKTSS DATA SEQUENCE GGGSASMNSY YVVSPYEGIV NKLGKEVDYT VGAYSHKSIG GLAESSLIDA DATA SEQUENCE AKPXXXENSG LIAKFYSNPV EERSDDEEPF HVTKVNRSNV HLFDFKHXXV DATA SEQUENCE DPKNPYFFVT LTGQYVPQED GDYIFSLQVY GSGLFYLNDE LIIDQKXXQE DATA SEQUENCE RGSFCFGAGT KERTKKLTLK KGQVYNVRVE YGSGPTSXXX XXFGAGGFQA DATA SEQUENCE GVIKAIDDDE EIRNAAELAA KHDKAVLIIG LNGEWETEGY DRENMDLPKR DATA SEQUENCE TNELVRAVLK ANPNTVIVNQ SGTPVEFPWL EDANALVQAW YGGNELGNAI DATA SEQUENCE ADVLYGDVVP NGKLSLSWPF KLQDNPAFLN FKTEFGRVIY GEDIFVGYRY DATA SEQUENCE YEKLQRKVAF PFGYGLSYTT FELDISDFKV TDDKIAISVD VKNTGDKFAG DATA SEQUENCE SEVVQVYFSA LNSKVSRPVK ELKGFEKVHL EPGEKKTVNI DLELKDAISY DATA SEQUENCE FNEELGKWHV EAGEYLVSVG TSSDDILSVK EFKVEKELYW KGL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.672 176.600 0.119 0.000 0.988 3 K CA 0.000 56.336 56.287 0.081 0.000 0.838 3 K CB 0.000 32.550 32.500 0.084 0.000 1.064 4 F N 3.364 123.311 119.950 -0.005 0.000 2.438 4 F HA 0.298 4.823 4.527 -0.003 0.000 0.360 4 F C -0.317 175.483 175.800 0.000 0.000 1.118 4 F CA -0.296 57.703 58.000 -0.000 0.000 1.164 4 F CB 0.626 39.628 39.000 0.003 0.000 1.131 4 F HN -0.015 nan 8.300 nan 0.000 0.527 5 D N 4.845 125.197 120.400 -0.081 0.000 2.349 5 D HA 0.239 4.877 4.640 -0.003 0.000 0.232 5 D C 0.723 176.960 176.300 -0.105 0.000 1.071 5 D CA -0.389 53.590 54.000 -0.034 0.000 0.832 5 D CB 1.698 42.470 40.800 -0.047 0.000 1.086 5 D HN 0.347 nan 8.370 nan 0.000 0.504 6 V N 3.930 123.859 119.914 0.026 0.000 2.255 6 V HA -0.194 3.924 4.120 -0.003 0.000 0.247 6 V C 2.012 178.091 176.094 -0.024 0.000 1.051 6 V CA 1.586 63.905 62.300 0.032 0.000 1.018 6 V CB -0.317 31.560 31.823 0.090 0.000 0.641 6 V HN 0.655 nan 8.190 nan 0.000 0.445 7 E N -0.608 119.581 120.200 -0.018 0.000 2.208 7 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 7 E C 2.105 178.679 176.600 -0.044 0.000 0.988 7 E CA 0.966 57.351 56.400 -0.025 0.000 0.828 7 E CB -0.145 29.547 29.700 -0.015 0.000 0.763 7 E HN 0.594 nan 8.360 nan 0.000 0.478 8 Q N 1.005 120.767 119.800 -0.063 0.000 1.965 8 Q HA -0.065 4.274 4.340 -0.003 0.000 0.200 8 Q C 2.329 178.273 176.000 -0.095 0.000 0.981 8 Q CA 1.194 56.952 55.803 -0.075 0.000 0.834 8 Q CB -0.462 28.224 28.738 -0.088 0.000 0.900 8 Q HN 0.224 nan 8.270 nan 0.000 0.426 9 L N -0.037 121.096 121.223 -0.150 0.000 2.021 9 L HA -0.244 4.095 4.340 -0.003 0.000 0.215 9 L C 2.413 179.228 176.870 -0.093 0.000 1.074 9 L CA 1.266 56.007 54.840 -0.165 0.000 0.760 9 L CB -0.739 41.145 42.059 -0.290 0.000 0.889 9 L HN 0.324 nan 8.230 nan 0.000 0.433 10 L N -0.034 121.149 121.223 -0.066 0.000 2.127 10 L HA -0.206 4.132 4.340 -0.003 0.000 0.211 10 L C 2.660 179.509 176.870 -0.035 0.000 1.089 10 L CA 2.064 56.882 54.840 -0.037 0.000 0.757 10 L CB -0.393 41.653 42.059 -0.023 0.000 0.899 10 L HN 0.391 nan 8.230 nan 0.000 0.434 11 S N -2.535 113.142 115.700 -0.039 0.000 2.562 11 S HA -0.012 4.456 4.470 -0.003 0.000 0.221 11 S C 1.590 176.169 174.600 -0.034 0.000 0.975 11 S CA 0.659 58.840 58.200 -0.032 0.000 0.918 11 S CB -0.229 62.953 63.200 -0.031 0.000 0.772 11 S HN 0.633 nan 8.310 nan 0.000 0.531 12 E N 0.229 120.403 120.200 -0.043 0.000 2.413 12 E HA 0.330 4.679 4.350 -0.003 0.000 0.203 12 E C -0.209 176.369 176.600 -0.036 0.000 0.957 12 E CA -0.238 56.137 56.400 -0.042 0.000 0.950 12 E CB 0.210 29.877 29.700 -0.055 0.000 0.957 12 E HN 0.452 nan 8.360 nan 0.000 0.497 13 L N 3.054 124.255 121.223 -0.036 0.000 2.456 13 L HA 0.056 4.394 4.340 -0.003 0.000 0.272 13 L C 0.370 177.228 176.870 -0.021 0.000 1.189 13 L CA -0.549 54.274 54.840 -0.028 0.000 0.846 13 L CB 0.115 42.159 42.059 -0.025 0.000 1.111 13 L HN 0.162 nan 8.230 nan 0.000 0.475 14 N N 1.345 120.034 118.700 -0.018 0.000 2.434 14 N HA 0.060 4.798 4.740 -0.003 0.000 0.266 14 N C 0.352 175.854 175.510 -0.013 0.000 1.223 14 N CA -0.609 52.432 53.050 -0.015 0.000 0.972 14 N CB 0.532 39.011 38.487 -0.014 0.000 1.207 14 N HN 0.602 nan 8.380 nan 0.000 0.525 15 Q N -0.765 119.029 119.800 -0.010 0.000 2.135 15 Q HA -0.205 4.133 4.340 -0.003 0.000 0.204 15 Q C 0.239 176.233 176.000 -0.009 0.000 0.981 15 Q CA 1.871 57.669 55.803 -0.008 0.000 0.856 15 Q CB -0.068 28.667 28.738 -0.005 0.000 0.902 15 Q HN 0.661 nan 8.270 nan 0.000 0.425 16 D N 0.109 120.502 120.400 -0.011 0.000 2.123 16 D HA -0.129 4.509 4.640 -0.003 0.000 0.200 16 D C 1.599 177.889 176.300 -0.017 0.000 0.976 16 D CA 1.138 55.130 54.000 -0.013 0.000 0.831 16 D CB -0.089 40.702 40.800 -0.014 0.000 0.974 16 D HN 0.370 nan 8.370 nan 0.000 0.469 17 E N 0.706 120.896 120.200 -0.016 0.000 2.058 17 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 17 E C 2.009 178.600 176.600 -0.015 0.000 0.997 17 E CA 0.951 57.341 56.400 -0.016 0.000 0.801 17 E CB 0.040 29.731 29.700 -0.015 0.000 0.746 17 E HN 0.237 nan 8.360 nan 0.000 0.450 18 K N 0.542 120.934 120.400 -0.013 0.000 2.009 18 K HA -0.159 4.159 4.320 -0.003 0.000 0.210 18 K C 2.186 178.778 176.600 -0.014 0.000 1.049 18 K CA 1.367 57.647 56.287 -0.011 0.000 0.929 18 K CB -0.253 32.242 32.500 -0.010 0.000 0.714 18 K HN 0.102 nan 8.250 nan 0.000 0.440 19 I N 1.391 121.952 120.570 -0.015 0.000 2.264 19 I HA -0.311 3.858 4.170 -0.003 0.000 0.248 19 I C 2.527 178.624 176.117 -0.033 0.000 1.111 19 I CA 1.460 62.748 61.300 -0.019 0.000 1.382 19 I CB -0.438 37.554 38.000 -0.014 0.000 1.060 19 I HN 0.233 nan 8.210 nan 0.000 0.418 20 S N 0.866 116.546 115.700 -0.034 0.000 2.447 20 S HA -0.070 4.398 4.470 -0.003 0.000 0.233 20 S C 1.891 176.457 174.600 -0.057 0.000 1.006 20 S CA 0.733 58.904 58.200 -0.048 0.000 0.957 20 S CB -0.651 62.524 63.200 -0.041 0.000 0.773 20 S HN 0.456 nan 8.310 nan 0.000 0.507 21 L N 0.505 121.705 121.223 -0.038 0.000 2.376 21 L HA 0.202 4.540 4.340 -0.003 0.000 0.219 21 L C 1.975 178.813 176.870 -0.052 0.000 1.133 21 L CA 0.553 55.373 54.840 -0.032 0.000 0.816 21 L CB -0.351 41.708 42.059 -0.002 0.000 0.933 21 L HN 0.337 nan 8.230 nan 0.000 0.449 22 L N -0.905 120.283 121.223 -0.058 0.000 2.599 22 L HA 0.049 4.388 4.340 -0.003 0.000 0.230 22 L C 0.834 177.635 176.870 -0.114 0.000 1.141 22 L CA 0.017 54.821 54.840 -0.061 0.000 0.877 22 L CB -0.365 41.672 42.059 -0.037 0.000 1.009 22 L HN 0.315 nan 8.230 nan 0.000 0.447 23 S N -1.444 114.152 115.700 -0.175 0.000 2.627 23 S HA 0.772 5.241 4.470 -0.003 0.000 0.283 23 S C -0.390 173.947 174.600 -0.439 0.000 1.127 23 S CA -0.723 57.293 58.200 -0.307 0.000 0.863 23 S CB 2.352 65.401 63.200 -0.251 0.000 1.121 23 S HN 0.009 nan 8.310 nan 0.000 0.479 24 A N 0.775 123.133 122.820 -0.769 0.000 2.287 24 A HA 0.669 4.987 4.320 -0.003 0.000 0.273 24 A C 0.903 178.202 177.584 -0.476 0.000 1.091 24 A CA -0.605 50.924 52.037 -0.846 0.000 0.817 24 A CB 0.137 18.119 19.000 -1.697 0.000 1.069 24 A HN 1.049 nan 8.150 nan 0.000 0.492 25 V N 0.285 120.025 119.914 -0.290 0.000 2.685 25 V HA 0.086 4.204 4.120 -0.003 0.000 0.244 25 V C 0.767 176.752 176.094 -0.182 0.000 1.054 25 V CA 2.016 64.209 62.300 -0.179 0.000 1.076 25 V CB -0.800 30.978 31.823 -0.076 0.000 0.725 25 V HN 1.079 nan 8.190 nan 0.000 0.467 26 D N -2.683 117.622 120.400 -0.159 0.000 3.225 26 D HA 0.168 4.806 4.640 -0.003 0.000 0.294 26 D C 0.608 176.727 176.300 -0.302 0.000 1.306 26 D CA -0.636 53.273 54.000 -0.150 0.000 1.019 26 D CB 0.007 40.865 40.800 0.095 0.000 1.344 26 D HN -0.098 nan 8.370 nan 0.000 0.615 27 F N -1.363 118.409 119.950 -0.297 0.000 2.451 27 F HA 0.172 4.697 4.527 -0.003 0.000 0.299 27 F C 0.841 176.295 175.800 -0.576 0.000 1.101 27 F CA 0.821 58.418 58.000 -0.671 0.000 1.436 27 F CB 0.026 38.328 39.000 -1.163 0.000 1.074 27 F HN 0.305 nan 8.300 nan 0.000 0.553 28 W N -3.489 118.083 121.300 0.453 0.000 1.857 28 W HA 0.200 4.858 4.660 -0.002 0.000 0.244 28 W C -0.383 176.139 176.519 0.006 0.000 0.859 28 W CA -0.351 57.156 57.345 0.270 0.000 1.112 28 W CB 0.034 29.476 29.460 -0.030 0.000 0.967 28 W HN -0.285 nan 8.180 nan 0.000 0.524 29 H N -0.312 119.014 119.070 0.426 0.000 2.572 29 H HA 0.504 5.058 4.556 -0.003 0.000 0.359 29 H C 0.673 176.059 175.328 0.096 0.000 1.134 29 H CA -0.498 55.712 56.048 0.270 0.000 1.187 29 H CB 1.510 31.379 29.762 0.179 0.000 1.597 29 H HN -0.203 nan 8.280 nan 0.000 0.524 30 T N -1.147 113.540 114.554 0.221 0.000 2.771 30 T HA 0.259 4.608 4.350 -0.003 0.000 0.290 30 T C 0.320 175.050 174.700 0.050 0.000 1.005 30 T CA -1.023 61.110 62.100 0.054 0.000 0.944 30 T CB 0.781 69.712 68.868 0.106 0.000 1.147 30 T HN 0.364 nan 8.240 nan 0.000 0.534 31 K N 0.891 121.293 120.400 0.002 0.000 2.262 31 K HA 0.275 4.593 4.320 -0.003 0.000 0.282 31 K C -0.141 176.475 176.600 0.027 0.000 1.066 31 K CA -0.392 55.893 56.287 -0.004 0.000 0.901 31 K CB 0.457 32.936 32.500 -0.036 0.000 1.089 31 K HN 0.655 nan 8.250 nan 0.000 0.476 32 K N 5.559 125.975 120.400 0.026 0.000 2.379 32 K HA 0.115 4.433 4.320 -0.003 0.000 0.284 32 K C -0.504 176.108 176.600 0.021 0.000 1.044 32 K CA -0.245 56.062 56.287 0.033 0.000 0.974 32 K CB 0.403 32.915 32.500 0.020 0.000 0.962 32 K HN 0.560 nan 8.250 nan 0.000 0.474 33 I N 5.519 126.108 120.570 0.031 0.000 2.557 33 I HA 0.068 4.236 4.170 -0.003 0.000 0.277 33 I C 1.066 177.192 176.117 0.016 0.000 1.106 33 I CA -0.230 61.080 61.300 0.017 0.000 1.180 33 I CB 0.564 38.572 38.000 0.014 0.000 1.392 33 I HN 0.844 nan 8.210 nan 0.000 0.506 34 E N 4.180 124.386 120.200 0.010 0.000 2.086 34 E HA -0.286 4.062 4.350 -0.003 0.000 0.205 34 E C 1.811 178.413 176.600 0.003 0.000 1.027 34 E CA 2.088 58.493 56.400 0.009 0.000 0.830 34 E CB 0.023 29.724 29.700 0.002 0.000 0.751 34 E HN 0.620 nan 8.360 nan 0.000 0.456 35 R N 0.775 121.272 120.500 -0.004 0.000 2.293 35 R HA -0.084 4.255 4.340 -0.003 0.000 0.219 35 R C 1.755 178.046 176.300 -0.016 0.000 1.091 35 R CA 1.115 57.209 56.100 -0.010 0.000 1.004 35 R CB -0.239 30.053 30.300 -0.013 0.000 0.865 35 R HN 0.202 nan 8.270 nan 0.000 0.469 36 L N -0.047 121.167 121.223 -0.016 0.000 2.858 36 L HA 0.395 4.733 4.340 -0.003 0.000 0.251 36 L C 0.558 177.416 176.870 -0.021 0.000 1.149 36 L CA 0.023 54.843 54.840 -0.035 0.000 0.955 36 L CB 0.778 42.804 42.059 -0.056 0.000 1.289 36 L HN 0.445 nan 8.230 nan 0.000 0.542 37 G N 2.190 110.998 108.800 0.013 0.000 2.338 37 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.296 37 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.296 37 G C -0.124 174.838 174.900 0.103 0.000 1.040 37 G CA 0.130 45.257 45.100 0.046 0.000 1.004 37 G HN 0.343 nan 8.290 nan 0.000 0.509 38 I N 1.714 122.348 120.570 0.106 0.000 2.339 38 I HA 0.353 4.521 4.170 -0.003 0.000 0.290 38 I C -1.814 174.386 176.117 0.138 0.000 0.994 38 I CA -2.521 58.895 61.300 0.194 0.000 1.191 38 I CB 2.093 40.187 38.000 0.156 0.000 1.343 38 I HN -0.011 nan 8.210 nan 0.000 0.458 39 P HA 0.305 nan 4.420 nan 0.000 0.282 39 P C -0.905 176.454 177.300 0.099 0.000 1.259 39 P CA -0.629 62.529 63.100 0.096 0.000 0.826 39 P CB 1.131 32.880 31.700 0.081 0.000 1.064 40 A N 1.701 124.576 122.820 0.092 0.000 2.409 40 A HA 0.414 4.732 4.320 -0.003 0.000 0.262 40 A C -0.041 177.645 177.584 0.171 0.000 1.113 40 A CA -0.248 51.864 52.037 0.125 0.000 0.790 40 A CB -0.305 18.758 19.000 0.105 0.000 1.046 40 A HN 0.349 nan 8.150 nan 0.000 0.496 41 V N 3.607 123.639 119.914 0.197 0.000 2.427 41 V HA 0.419 4.537 4.120 -0.003 0.000 0.286 41 V C 0.590 176.832 176.094 0.246 0.000 1.034 41 V CA -0.631 61.786 62.300 0.195 0.000 0.893 41 V CB 1.324 33.242 31.823 0.158 0.000 0.982 41 V HN 0.974 nan 8.190 nan 0.000 0.452 42 R N 3.492 124.115 120.500 0.205 0.000 2.312 42 R HA 0.693 5.031 4.340 -0.003 0.000 0.311 42 R C -0.711 175.626 176.300 0.062 0.000 1.004 42 R CA -0.384 55.755 56.100 0.066 0.000 0.902 42 R CB 1.613 31.959 30.300 0.077 0.000 1.073 42 R HN 0.703 nan 8.270 nan 0.000 0.457 43 V N 0.413 120.377 119.914 0.084 0.000 2.769 43 V HA 0.785 4.903 4.120 -0.003 0.000 0.312 43 V C -0.680 175.415 176.094 0.001 0.000 1.058 43 V CA -0.610 61.743 62.300 0.088 0.000 0.952 43 V CB 1.823 33.725 31.823 0.130 0.000 1.019 43 V HN 0.751 nan 8.190 nan 0.000 0.445 44 S N 1.093 116.725 115.700 -0.114 0.000 2.541 44 S HA 0.471 4.939 4.470 -0.003 0.000 0.271 44 S C -1.087 173.345 174.600 -0.279 0.000 1.133 44 S CA -0.642 57.359 58.200 -0.331 0.000 0.876 44 S CB 1.840 64.821 63.200 -0.366 0.000 1.105 44 S HN 0.982 nan 8.310 nan 0.000 0.470 45 D N 1.565 121.738 120.400 -0.379 0.000 2.368 45 D HA 0.554 5.193 4.640 -0.003 0.000 0.240 45 D C 0.671 176.836 176.300 -0.226 0.000 1.169 45 D CA 0.666 54.510 54.000 -0.259 0.000 0.906 45 D CB 1.183 41.841 40.800 -0.236 0.000 1.187 45 D HN 0.691 nan 8.370 nan 0.000 0.435 46 G N -0.222 108.481 108.800 -0.161 0.000 3.107 46 G HA2 0.328 4.286 3.960 -0.003 0.000 0.233 46 G HA3 0.328 4.286 3.960 -0.003 0.000 0.233 46 G C -2.240 172.577 174.900 -0.139 0.000 1.168 46 G CA -0.550 44.473 45.100 -0.129 0.000 0.801 46 G HN 0.288 nan 8.290 nan 0.000 0.605 47 P HA 0.080 nan 4.420 nan 0.000 0.239 47 P C 0.070 177.260 177.300 -0.183 0.000 1.188 47 P CA 0.701 63.699 63.100 -0.170 0.000 0.794 47 P CB 0.099 31.675 31.700 -0.206 0.000 0.937 48 N N -0.185 118.447 118.700 -0.113 0.000 2.598 48 N HA 0.458 5.197 4.740 -0.003 0.000 0.309 48 N C 0.112 175.651 175.510 0.049 0.000 1.645 48 N CA -0.399 52.618 53.050 -0.056 0.000 0.936 48 N CB 0.356 38.906 38.487 0.105 0.000 1.323 48 N HN 0.060 nan 8.380 nan 0.000 0.497 49 G N 0.197 108.933 108.800 -0.108 0.000 2.539 49 G HA2 0.036 3.994 3.960 -0.003 0.000 0.686 49 G HA3 0.036 3.994 3.960 -0.003 0.000 0.686 49 G C -1.519 173.351 174.900 -0.051 0.000 1.258 49 G CA -1.038 44.098 45.100 0.060 0.000 0.846 49 G HN 0.153 nan 8.290 nan 0.000 0.647 50 I N 1.585 122.121 120.570 -0.057 0.000 2.307 50 I HA 0.373 4.541 4.170 -0.003 0.000 0.289 50 I C 1.537 177.551 176.117 -0.172 0.000 1.021 50 I CA -0.463 60.763 61.300 -0.123 0.000 1.224 50 I CB 1.065 39.012 38.000 -0.087 0.000 1.376 50 I HN 0.854 nan 8.210 nan 0.000 0.470 51 R N 4.406 124.755 120.500 -0.251 0.000 2.090 51 R HA 0.126 4.464 4.340 -0.003 0.000 0.228 51 R C 1.081 177.187 176.300 -0.323 0.000 1.110 51 R CA 1.131 57.048 56.100 -0.305 0.000 0.973 51 R CB 0.157 30.197 30.300 -0.433 0.000 0.869 51 R HN 0.952 nan 8.270 nan 0.000 0.440 52 G N -1.204 107.356 108.800 -0.400 0.000 2.681 52 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.220 52 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.220 52 G C 0.502 175.050 174.900 -0.587 0.000 1.353 52 G CA 0.162 45.025 45.100 -0.395 0.000 0.872 52 G HN 0.328 nan 8.290 nan 0.000 0.557 53 T N -1.347 112.976 114.554 -0.387 0.000 3.098 53 T HA 0.272 4.621 4.350 -0.003 0.000 0.266 53 T C 0.792 175.480 174.700 -0.021 0.000 1.145 53 T CA 1.992 63.898 62.100 -0.324 0.000 1.092 53 T CB -0.511 68.414 68.868 0.095 0.000 0.908 53 T HN 1.237 nan 8.240 nan 0.000 0.526 54 K N -1.688 118.671 120.400 -0.068 0.000 2.536 54 K HA 0.473 4.791 4.320 -0.003 0.000 0.269 54 K C -0.785 175.848 176.600 0.054 0.000 0.965 54 K CA -1.004 55.353 56.287 0.116 0.000 0.860 54 K CB 0.794 33.410 32.500 0.193 0.000 1.423 54 K HN -0.007 nan 8.250 nan 0.000 0.438 55 F N 0.371 120.449 119.950 0.214 0.000 2.289 55 F HA 0.225 4.751 4.527 -0.003 0.000 0.280 55 F C 0.845 176.802 175.800 0.262 0.000 1.045 55 F CA -0.040 58.101 58.000 0.235 0.000 1.236 55 F CB 0.267 39.431 39.000 0.274 0.000 1.116 55 F HN 0.547 nan 8.300 nan 0.000 0.550 56 F N 2.309 122.520 119.950 0.436 0.000 2.495 56 F HA 0.178 4.704 4.527 -0.003 0.000 0.365 56 F C 0.672 176.619 175.800 0.245 0.000 1.090 56 F CA -0.883 57.293 58.000 0.295 0.000 1.235 56 F CB 0.011 39.173 39.000 0.270 0.000 1.119 56 F HN 0.281 nan 8.300 nan 0.000 0.562 57 D N 3.208 123.291 120.400 -0.528 0.000 2.800 57 D HA -0.160 4.478 4.640 -0.003 0.000 0.232 57 D C 0.039 176.227 176.300 -0.186 0.000 1.137 57 D CA 1.085 54.775 54.000 -0.516 0.000 0.718 57 D CB -1.239 39.002 40.800 -0.931 0.000 1.084 57 D HN 0.960 nan 8.370 nan 0.000 0.432 58 G N -0.530 108.233 108.800 -0.062 0.000 2.444 58 G HA2 0.472 4.430 3.960 -0.003 0.000 0.268 58 G HA3 0.472 4.430 3.960 -0.003 0.000 0.268 58 G C 0.261 175.143 174.900 -0.030 0.000 1.203 58 G CA -0.339 44.742 45.100 -0.031 0.000 0.835 58 G HN 0.290 nan 8.290 nan 0.000 0.543 59 V N 4.092 123.990 119.914 -0.028 0.000 2.529 59 V HA 0.073 4.191 4.120 -0.003 0.000 0.292 59 V C -1.509 174.582 176.094 -0.005 0.000 1.028 59 V CA -0.736 61.563 62.300 -0.001 0.000 1.074 59 V CB 1.055 32.882 31.823 0.007 0.000 0.958 59 V HN 0.579 nan 8.190 nan 0.000 0.481 60 P HA 0.226 nan 4.420 nan 0.000 0.270 60 P C -0.332 176.912 177.300 -0.095 0.000 1.223 60 P CA 0.204 63.304 63.100 -0.001 0.000 0.785 60 P CB 0.650 32.435 31.700 0.141 0.000 0.923 61 S N -0.627 114.768 115.700 -0.509 0.000 2.671 61 S HA 0.703 5.171 4.470 -0.003 0.000 0.277 61 S C -0.796 172.979 174.600 -1.375 0.000 1.165 61 S CA -0.636 57.134 58.200 -0.717 0.000 0.822 61 S CB 1.173 64.190 63.200 -0.304 0.000 1.150 61 S HN 0.470 nan 8.310 nan 0.000 0.479 62 G N 0.990 109.261 108.800 -0.883 0.000 2.393 62 G HA2 0.423 4.381 3.960 -0.003 0.000 0.311 62 G HA3 0.423 4.381 3.960 -0.003 0.000 0.311 62 G C -0.116 174.638 174.900 -0.244 0.000 1.067 62 G CA -0.234 44.524 45.100 -0.570 0.000 1.000 62 G HN 0.719 nan 8.290 nan 0.000 0.422 63 C N 4.476 123.628 119.300 -0.246 0.000 2.499 63 C HA 0.609 5.067 4.460 -0.003 0.000 0.386 63 C C 0.358 175.342 174.990 -0.010 0.000 1.293 63 C CA -0.978 58.018 59.018 -0.036 0.000 1.884 63 C CB -1.544 26.160 27.740 -0.060 0.000 2.509 63 C HN 0.522 nan 8.230 nan 0.000 0.566 64 F N 6.096 126.033 119.950 -0.021 0.000 2.380 64 F HA 0.417 4.942 4.527 -0.003 0.000 0.321 64 F C -1.432 174.405 175.800 0.061 0.000 1.103 64 F CA -2.104 55.910 58.000 0.023 0.000 1.067 64 F CB 0.395 39.410 39.000 0.026 0.000 1.265 64 F HN 0.429 nan 8.300 nan 0.000 0.517 65 P HA -0.045 nan 4.420 nan 0.000 0.269 65 P C -0.849 176.590 177.300 0.232 0.000 1.217 65 P CA -0.251 62.988 63.100 0.232 0.000 0.783 65 P CB 0.281 32.094 31.700 0.188 0.000 0.898 66 N N 0.475 119.324 118.700 0.249 0.000 2.444 66 N HA -0.001 4.738 4.740 -0.003 0.000 0.255 66 N C 1.491 177.053 175.510 0.088 0.000 1.255 66 N CA 0.137 53.336 53.050 0.249 0.000 0.933 66 N CB -0.032 38.727 38.487 0.453 0.000 1.143 66 N HN 0.455 nan 8.380 nan 0.000 0.453 67 G N 0.176 108.982 108.800 0.010 0.000 2.469 67 G HA2 -0.358 3.600 3.960 -0.003 0.000 0.220 67 G HA3 -0.358 3.600 3.960 -0.003 0.000 0.220 67 G C 1.417 176.260 174.900 -0.095 0.000 1.136 67 G CA 1.865 46.884 45.100 -0.135 0.000 0.759 67 G HN 0.823 nan 8.290 nan 0.000 0.562 68 T N -1.253 113.197 114.554 -0.174 0.000 2.951 68 T HA 0.131 4.479 4.350 -0.003 0.000 0.268 68 T C 2.389 176.579 174.700 -0.850 0.000 1.073 68 T CA 1.392 63.281 62.100 -0.352 0.000 1.134 68 T CB -0.337 68.368 68.868 -0.273 0.000 0.884 68 T HN 0.251 nan 8.240 nan 0.000 0.479 69 G N 2.181 110.467 108.800 -0.857 0.000 2.434 69 G HA2 -0.024 3.934 3.960 -0.003 0.000 0.214 69 G HA3 -0.024 3.934 3.960 -0.003 0.000 0.214 69 G C 1.484 176.115 174.900 -0.449 0.000 1.202 69 G CA 0.657 45.095 45.100 -1.104 0.000 0.788 69 G HN 0.510 nan 8.290 nan 0.000 0.539 70 L N 0.887 122.016 121.223 -0.156 0.000 2.081 70 L HA -0.146 4.192 4.340 -0.003 0.000 0.212 70 L C 3.292 180.112 176.870 -0.083 0.000 1.080 70 L CA 1.200 56.026 54.840 -0.024 0.000 0.754 70 L CB -0.425 41.702 42.059 0.113 0.000 0.893 70 L HN 0.315 nan 8.230 nan 0.000 0.433 71 A N -1.034 121.721 122.820 -0.109 0.000 2.016 71 A HA -0.095 4.223 4.320 -0.003 0.000 0.217 71 A C 2.452 179.870 177.584 -0.275 0.000 1.162 71 A CA 1.332 53.237 52.037 -0.220 0.000 0.662 71 A CB -0.382 18.539 19.000 -0.132 0.000 0.812 71 A HN 0.329 nan 8.150 nan 0.000 0.450 72 S N 0.109 115.699 115.700 -0.185 0.000 2.440 72 S HA -0.153 4.315 4.470 -0.003 0.000 0.238 72 S C 2.094 176.804 174.600 0.184 0.000 1.010 72 S CA 1.758 59.990 58.200 0.053 0.000 0.972 72 S CB -0.628 62.603 63.200 0.051 0.000 0.774 72 S HN 0.910 nan 8.310 nan 0.000 0.501 73 T N -1.032 113.561 114.554 0.065 0.000 3.007 73 T HA -0.028 4.321 4.350 -0.003 0.000 0.270 73 T C 0.837 175.653 174.700 0.193 0.000 1.107 73 T CA 0.380 62.541 62.100 0.102 0.000 1.118 73 T CB -0.993 67.909 68.868 0.056 0.000 0.889 73 T HN 0.347 nan 8.240 nan 0.000 0.506 74 F N 1.361 121.235 119.950 -0.127 0.000 3.021 74 F HA -0.163 4.363 4.527 -0.003 0.000 0.256 74 F C 0.196 176.064 175.800 0.115 0.000 0.976 74 F CA 0.735 58.640 58.000 -0.158 0.000 0.861 74 F CB -1.382 37.472 39.000 -0.245 0.000 0.778 74 F HN 0.324 nan 8.300 nan 0.000 0.765 75 D N -0.072 120.443 120.400 0.192 0.000 2.408 75 D HA 0.275 4.914 4.640 -0.003 0.000 0.261 75 D C 1.113 177.459 176.300 0.078 0.000 1.190 75 D CA -0.459 53.633 54.000 0.154 0.000 0.910 75 D CB 0.593 41.452 40.800 0.098 0.000 1.097 75 D HN 0.146 nan 8.370 nan 0.000 0.522 76 R N 1.474 122.015 120.500 0.069 0.000 2.083 76 R HA -0.127 4.211 4.340 -0.003 0.000 0.237 76 R C 0.861 177.136 176.300 -0.041 0.000 1.137 76 R CA 1.346 57.425 56.100 -0.034 0.000 0.951 76 R CB 0.151 30.380 30.300 -0.118 0.000 0.851 76 R HN 0.397 nan 8.270 nan 0.000 0.434 77 D N 0.732 121.118 120.400 -0.023 0.000 2.123 77 D HA -0.162 4.476 4.640 -0.003 0.000 0.196 77 D C 1.826 178.126 176.300 -0.000 0.000 0.992 77 D CA 0.898 54.888 54.000 -0.016 0.000 0.833 77 D CB -0.247 40.547 40.800 -0.010 0.000 0.954 77 D HN 0.050 nan 8.370 nan 0.000 0.455 78 L N 0.406 121.638 121.223 0.015 0.000 2.131 78 L HA -0.072 4.266 4.340 -0.003 0.000 0.210 78 L C 2.081 178.968 176.870 0.027 0.000 1.092 78 L CA 1.267 56.124 54.840 0.030 0.000 0.759 78 L CB -0.297 41.789 42.059 0.044 0.000 0.903 78 L HN 0.018 nan 8.230 nan 0.000 0.435 79 L N -1.067 120.153 121.223 -0.005 0.000 2.179 79 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 79 L C 2.457 179.308 176.870 -0.032 0.000 1.096 79 L CA 1.121 55.943 54.840 -0.029 0.000 0.779 79 L CB -0.402 41.594 42.059 -0.105 0.000 0.922 79 L HN 0.376 nan 8.230 nan 0.000 0.443 80 E N -0.037 120.141 120.200 -0.036 0.000 2.077 80 E HA -0.206 4.143 4.350 -0.003 0.000 0.193 80 E C 1.945 178.548 176.600 0.004 0.000 0.989 80 E CA 1.708 58.091 56.400 -0.029 0.000 0.800 80 E CB 0.111 29.789 29.700 -0.036 0.000 0.746 80 E HN 0.272 nan 8.360 nan 0.000 0.452 81 T N 0.411 114.978 114.554 0.022 0.000 2.720 81 T HA -0.191 4.158 4.350 -0.003 0.000 0.268 81 T C 1.784 176.539 174.700 0.091 0.000 1.037 81 T CA 1.395 63.524 62.100 0.049 0.000 1.144 81 T CB -0.351 68.546 68.868 0.048 0.000 0.864 81 T HN 0.382 nan 8.240 nan 0.000 0.444 82 A N 1.198 124.085 122.820 0.111 0.000 1.933 82 A HA 0.122 4.441 4.320 -0.003 0.000 0.218 82 A C 2.596 180.219 177.584 0.066 0.000 1.175 82 A CA 1.894 54.051 52.037 0.200 0.000 0.628 82 A CB -1.372 17.737 19.000 0.182 0.000 0.814 82 A HN 0.514 nan 8.150 nan 0.000 0.444 83 G N -0.010 108.787 108.800 -0.005 0.000 2.514 83 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.217 83 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.217 83 G C 1.652 176.555 174.900 0.006 0.000 1.198 83 G CA 1.208 46.285 45.100 -0.039 0.000 0.780 83 G HN 0.561 nan 8.290 nan 0.000 0.565 84 K N -0.447 119.975 120.400 0.037 0.000 2.059 84 K HA -0.142 4.177 4.320 -0.003 0.000 0.212 84 K C 2.426 179.075 176.600 0.083 0.000 1.050 84 K CA 1.411 57.730 56.287 0.052 0.000 0.927 84 K CB -0.357 32.173 32.500 0.050 0.000 0.714 84 K HN 0.293 nan 8.250 nan 0.000 0.447 85 L N 0.911 122.217 121.223 0.139 0.000 2.109 85 L HA -0.072 4.266 4.340 -0.003 0.000 0.207 85 L C 2.151 179.185 176.870 0.274 0.000 1.086 85 L CA 1.356 56.330 54.840 0.222 0.000 0.760 85 L CB -0.204 42.046 42.059 0.317 0.000 0.910 85 L HN 0.167 nan 8.230 nan 0.000 0.437 86 M N -0.875 118.829 119.600 0.173 0.000 2.080 86 M HA -0.239 4.240 4.480 -0.003 0.000 0.260 86 M C 2.320 178.636 176.300 0.028 0.000 1.068 86 M CA 2.043 57.340 55.300 -0.005 0.000 1.109 86 M CB -0.634 31.798 32.600 -0.280 0.000 1.342 86 M HN 0.418 nan 8.290 nan 0.000 0.405 87 A N 0.085 122.920 122.820 0.025 0.000 1.917 87 A HA -0.239 4.079 4.320 -0.003 0.000 0.219 87 A C 2.120 179.735 177.584 0.051 0.000 1.182 87 A CA 2.147 54.205 52.037 0.035 0.000 0.633 87 A CB -0.668 18.356 19.000 0.040 0.000 0.819 87 A HN 0.446 nan 8.150 nan 0.000 0.448 88 K N -0.683 119.760 120.400 0.072 0.000 2.097 88 K HA -0.112 4.206 4.320 -0.003 0.000 0.205 88 K C 1.920 178.571 176.600 0.084 0.000 1.050 88 K CA 1.233 57.564 56.287 0.074 0.000 0.938 88 K CB -0.046 32.503 32.500 0.081 0.000 0.718 88 K HN 0.441 nan 8.250 nan 0.000 0.442 89 E N -0.005 120.262 120.200 0.112 0.000 2.150 89 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 89 E C 1.977 178.611 176.600 0.058 0.000 0.985 89 E CA 0.741 57.209 56.400 0.114 0.000 0.814 89 E CB -0.008 29.788 29.700 0.161 0.000 0.752 89 E HN 0.175 nan 8.360 nan 0.000 0.466 90 S N 0.551 116.271 115.700 0.035 0.000 2.345 90 S HA -0.062 4.406 4.470 -0.003 0.000 0.219 90 S C 2.111 176.721 174.600 0.017 0.000 1.031 90 S CA 0.493 58.696 58.200 0.005 0.000 0.984 90 S CB -0.149 63.050 63.200 -0.001 0.000 0.874 90 S HN 0.149 nan 8.310 nan 0.000 0.451 91 I N 1.948 122.536 120.570 0.030 0.000 2.145 91 I HA -0.299 3.869 4.170 -0.003 0.000 0.244 91 I C 2.632 178.768 176.117 0.032 0.000 1.075 91 I CA 1.390 62.709 61.300 0.031 0.000 1.332 91 I CB -0.540 37.479 38.000 0.032 0.000 1.033 91 I HN 0.354 nan 8.210 nan 0.000 0.410 92 A N -0.074 122.770 122.820 0.041 0.000 2.076 92 A HA -0.170 4.148 4.320 -0.003 0.000 0.220 92 A C 2.044 179.649 177.584 0.035 0.000 1.160 92 A CA 1.482 53.546 52.037 0.045 0.000 0.653 92 A CB -0.230 18.813 19.000 0.072 0.000 0.801 92 A HN 0.303 nan 8.150 nan 0.000 0.455 93 K N -1.058 119.353 120.400 0.019 0.000 2.373 93 K HA 0.128 4.446 4.320 -0.003 0.000 0.202 93 K C -0.165 176.439 176.600 0.006 0.000 1.025 93 K CA 0.160 56.446 56.287 -0.002 0.000 1.115 93 K CB -0.104 32.371 32.500 -0.042 0.000 0.858 93 K HN 0.602 nan 8.250 nan 0.000 0.525 94 N N 0.859 119.572 118.700 0.022 0.000 2.693 94 N HA -0.220 4.518 4.740 -0.003 0.000 0.249 94 N C -0.492 175.041 175.510 0.037 0.000 1.119 94 N CA 0.559 53.631 53.050 0.036 0.000 0.717 94 N CB -0.619 37.900 38.487 0.053 0.000 1.071 94 N HN 0.293 nan 8.380 nan 0.000 0.555 95 A N -0.059 122.766 122.820 0.008 0.000 2.350 95 A HA 0.633 4.952 4.320 -0.003 0.000 0.293 95 A C 1.298 178.898 177.584 0.027 0.000 1.231 95 A CA 0.289 52.326 52.037 -0.000 0.000 0.883 95 A CB 0.534 19.500 19.000 -0.057 0.000 1.133 95 A HN 0.425 nan 8.150 nan 0.000 0.533 96 A N 2.903 125.756 122.820 0.055 0.000 2.119 96 A HA 0.390 4.708 4.320 -0.003 0.000 0.216 96 A C 0.643 178.280 177.584 0.089 0.000 1.152 96 A CA 0.977 53.059 52.037 0.076 0.000 0.708 96 A CB 0.050 19.102 19.000 0.088 0.000 0.805 96 A HN 0.856 nan 8.150 nan 0.000 0.460 97 V N 0.539 120.488 119.914 0.058 0.000 2.686 97 V HA 0.370 4.488 4.120 -0.003 0.000 0.306 97 V C -0.906 175.186 176.094 -0.003 0.000 1.065 97 V CA -0.491 61.834 62.300 0.042 0.000 0.894 97 V CB 1.890 33.747 31.823 0.057 0.000 1.004 97 V HN 0.307 nan 8.190 nan 0.000 0.424 98 I N 4.958 125.513 120.570 -0.025 0.000 2.336 98 I HA 0.369 4.537 4.170 -0.003 0.000 0.292 98 I C 0.028 176.100 176.117 -0.076 0.000 0.991 98 I CA -0.515 60.746 61.300 -0.065 0.000 1.227 98 I CB 1.586 39.541 38.000 -0.076 0.000 1.366 98 I HN 0.410 nan 8.210 nan 0.000 0.466 99 L N 7.035 128.197 121.223 -0.103 0.000 2.437 99 L HA 0.448 4.786 4.340 -0.003 0.000 0.243 99 L C 0.577 177.371 176.870 -0.127 0.000 1.346 99 L CA -0.135 54.638 54.840 -0.112 0.000 1.233 99 L CB -0.996 40.964 42.059 -0.164 0.000 1.436 99 L HN 0.856 nan 8.230 nan 0.000 0.416 100 G N 1.474 110.204 108.800 -0.117 0.000 2.349 100 G HA2 0.314 4.273 3.960 -0.003 0.000 0.294 100 G HA3 0.314 4.273 3.960 -0.003 0.000 0.294 100 G C -3.313 171.521 174.900 -0.110 0.000 1.380 100 G CA -0.670 44.346 45.100 -0.141 0.000 0.811 100 G HN -0.057 nan 8.290 nan 0.000 0.519 101 P HA 0.380 nan 4.420 nan 0.000 0.276 101 P C -0.296 176.861 177.300 -0.238 0.000 1.252 101 P CA 0.014 63.033 63.100 -0.136 0.000 0.802 101 P CB 0.991 32.722 31.700 0.052 0.000 1.035 102 T N 0.487 114.812 114.554 -0.381 0.000 2.767 102 T HA 0.350 4.698 4.350 -0.003 0.000 0.288 102 T C 0.434 174.849 174.700 -0.475 0.000 0.963 102 T CA 0.065 61.904 62.100 -0.433 0.000 1.019 102 T CB 0.085 68.697 68.868 -0.427 0.000 0.923 102 T HN 0.374 nan 8.240 nan 0.000 0.468 103 T N 3.640 117.998 114.554 -0.327 0.000 3.741 103 T HA 0.284 4.632 4.350 -0.003 0.000 0.242 103 T C 0.084 174.749 174.700 -0.060 0.000 1.042 103 T CA -0.611 61.351 62.100 -0.231 0.000 1.278 103 T CB -0.684 68.077 68.868 -0.178 0.000 0.994 103 T HN 0.528 nan 8.240 nan 0.000 0.594 104 N N 1.395 120.105 118.700 0.015 0.000 2.327 104 N HA 0.519 5.257 4.740 -0.003 0.000 0.257 104 N C -0.229 175.374 175.510 0.154 0.000 1.281 104 N CA -0.386 52.766 53.050 0.170 0.000 0.942 104 N CB 0.396 38.998 38.487 0.193 0.000 1.199 104 N HN 0.257 nan 8.380 nan 0.000 0.532 105 M N 0.860 120.613 119.600 0.255 0.000 2.393 105 M HA 0.228 4.707 4.480 -0.003 0.000 0.316 105 M C -1.016 175.423 176.300 0.232 0.000 1.087 105 M CA -0.626 54.810 55.300 0.227 0.000 0.937 105 M CB 1.643 34.389 32.600 0.244 0.000 1.668 105 M HN 0.373 nan 8.290 nan 0.000 0.438 106 Q N 2.021 121.919 119.800 0.164 0.000 3.026 106 Q HA 0.128 4.466 4.340 -0.003 0.000 0.258 106 Q C 1.240 177.317 176.000 0.129 0.000 1.388 106 Q CA -0.033 55.860 55.803 0.151 0.000 1.000 106 Q CB -0.286 28.524 28.738 0.119 0.000 1.634 106 Q HN 0.500 nan 8.270 nan 0.000 0.571 107 R N -0.639 119.970 120.500 0.181 0.000 2.148 107 R HA 0.053 4.392 4.340 -0.003 0.000 0.227 107 R C 0.580 176.873 176.300 -0.010 0.000 1.103 107 R CA 1.005 57.173 56.100 0.115 0.000 0.983 107 R CB 0.167 30.551 30.300 0.140 0.000 0.874 107 R HN 0.292 nan 8.270 nan 0.000 0.451 108 G N 0.550 109.291 108.800 -0.098 0.000 2.605 108 G HA2 0.390 4.348 3.960 -0.003 0.000 0.296 108 G HA3 0.390 4.348 3.960 -0.003 0.000 0.296 108 G C -2.379 172.244 174.900 -0.462 0.000 1.304 108 G CA -1.567 43.266 45.100 -0.446 0.000 0.941 108 G HN -0.157 nan 8.290 nan 0.000 0.475 109 P HA 0.026 nan 4.420 nan 0.000 0.231 109 P C 1.259 178.428 177.300 -0.218 0.000 1.168 109 P CA 0.403 63.356 63.100 -0.244 0.000 0.779 109 P CB 0.411 31.967 31.700 -0.241 0.000 0.844 110 L N -0.731 120.262 121.223 -0.382 0.000 2.612 110 L HA 0.223 4.561 4.340 -0.003 0.000 0.230 110 L C 1.316 178.335 176.870 0.249 0.000 1.140 110 L CA -0.326 54.461 54.840 -0.088 0.000 0.896 110 L CB -0.771 41.239 42.059 -0.083 0.000 1.065 110 L HN -0.072 nan 8.230 nan 0.000 0.447 111 G N -0.159 108.843 108.800 0.335 0.000 2.313 111 G HA2 0.223 4.181 3.960 -0.003 0.000 0.250 111 G HA3 0.223 4.181 3.960 -0.003 0.000 0.250 111 G C 1.155 176.226 174.900 0.285 0.000 1.281 111 G CA 0.162 45.545 45.100 0.471 0.000 0.917 111 G HN 0.311 nan 8.290 nan 0.000 0.501 112 G N 1.907 110.848 108.800 0.235 0.000 2.485 112 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.221 112 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.221 112 G C 1.398 176.445 174.900 0.244 0.000 1.115 112 G CA 0.425 45.635 45.100 0.184 0.000 0.751 112 G HN 0.642 nan 8.290 nan 0.000 0.567 113 R N -0.050 120.507 120.500 0.095 0.000 2.613 113 R HA 0.238 4.576 4.340 -0.003 0.000 0.361 113 R C 2.198 178.320 176.300 -0.297 0.000 1.072 113 R CA 0.235 56.190 56.100 -0.242 0.000 1.089 113 R CB 0.590 30.776 30.300 -0.191 0.000 1.343 113 R HN 0.201 nan 8.270 nan 0.000 0.571 114 G N 1.559 110.354 108.800 -0.008 0.000 2.442 114 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.219 114 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.219 114 G C 1.281 176.182 174.900 0.003 0.000 1.141 114 G CA 0.763 45.885 45.100 0.036 0.000 0.763 114 G HN 0.459 nan 8.290 nan 0.000 0.554 115 F N 0.949 120.979 119.950 0.133 0.000 2.269 115 F HA 0.082 4.607 4.527 -0.003 0.000 0.301 115 F C 2.011 177.848 175.800 0.062 0.000 1.082 115 F CA 1.449 59.541 58.000 0.154 0.000 1.360 115 F CB -0.272 38.904 39.000 0.294 0.000 1.041 115 F HN 0.328 nan 8.300 nan 0.000 0.512 116 E N 0.491 120.154 120.200 -0.896 0.000 2.250 116 E HA 0.047 4.395 4.350 -0.003 0.000 0.192 116 E C 0.841 177.143 176.600 -0.497 0.000 0.986 116 E CA 0.305 56.293 56.400 -0.686 0.000 0.849 116 E CB 0.189 29.351 29.700 -0.898 0.000 0.797 116 E HN 0.447 nan 8.360 nan 0.000 0.482 117 S N -0.567 114.868 115.700 -0.441 0.000 2.646 117 S HA 0.206 4.674 4.470 -0.003 0.000 0.273 117 S C 0.543 174.839 174.600 -0.507 0.000 1.168 117 S CA -0.683 57.209 58.200 -0.514 0.000 1.013 117 S CB 0.240 63.283 63.200 -0.261 0.000 1.098 117 S HN 0.149 nan 8.310 nan 0.000 0.544 118 F N 0.720 120.604 119.950 -0.110 0.000 2.315 118 F HA 0.388 4.914 4.527 -0.003 0.000 0.284 118 F C 1.386 177.134 175.800 -0.087 0.000 1.049 118 F CA 0.317 58.239 58.000 -0.130 0.000 1.323 118 F CB -0.165 38.741 39.000 -0.156 0.000 1.113 118 F HN 0.454 nan 8.300 nan 0.000 0.544 119 S N -0.986 114.814 115.700 0.167 0.000 2.565 119 S HA 0.173 4.641 4.470 -0.003 0.000 0.274 119 S C 0.241 174.938 174.600 0.162 0.000 1.144 119 S CA -0.460 57.850 58.200 0.183 0.000 0.849 119 S CB 0.871 64.192 63.200 0.201 0.000 1.103 119 S HN 0.415 nan 8.310 nan 0.000 0.455 120 E N 1.358 121.675 120.200 0.195 0.000 2.338 120 E HA -0.089 4.259 4.350 -0.003 0.000 0.197 120 E C 0.076 176.699 176.600 0.038 0.000 1.007 120 E CA 0.793 57.268 56.400 0.125 0.000 0.849 120 E CB -0.132 29.672 29.700 0.174 0.000 0.774 120 E HN 0.513 nan 8.360 nan 0.000 0.506 121 D N 1.539 121.978 120.400 0.066 0.000 2.280 121 D HA 0.074 4.712 4.640 -0.003 0.000 0.243 121 D C -1.505 174.831 176.300 0.061 0.000 1.129 121 D CA -2.515 51.493 54.000 0.012 0.000 0.848 121 D CB 1.571 42.358 40.800 -0.021 0.000 1.107 121 D HN -0.167 nan 8.370 nan 0.000 0.471 122 P HA -0.148 nan 4.420 nan 0.000 0.220 122 P C 1.081 178.447 177.300 0.109 0.000 1.152 122 P CA 0.767 63.904 63.100 0.061 0.000 0.812 122 P CB 0.043 31.774 31.700 0.051 0.000 0.792 123 Y N 1.117 121.458 120.300 0.069 0.000 2.163 123 Y HA -0.143 4.405 4.550 -0.003 0.000 0.288 123 Y C 2.341 178.303 175.900 0.103 0.000 1.136 123 Y CA 1.145 59.303 58.100 0.096 0.000 1.147 123 Y CB -1.019 37.525 38.460 0.141 0.000 0.987 123 Y HN -0.237 nan 8.280 nan 0.000 0.509 124 L N 0.703 121.966 121.223 0.067 0.000 2.017 124 L HA -0.087 4.251 4.340 -0.003 0.000 0.208 124 L C 2.413 179.143 176.870 -0.234 0.000 1.073 124 L CA 2.223 56.961 54.840 -0.171 0.000 0.745 124 L CB -1.431 40.477 42.059 -0.252 0.000 0.894 124 L HN 0.250 nan 8.230 nan 0.000 0.432 125 A N -0.374 122.390 122.820 -0.094 0.000 1.883 125 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 125 A C 2.361 179.859 177.584 -0.144 0.000 1.186 125 A CA 1.720 53.736 52.037 -0.035 0.000 0.624 125 A CB -1.697 17.347 19.000 0.074 0.000 0.822 125 A HN 0.552 nan 8.150 nan 0.000 0.444 126 G N -0.471 108.236 108.800 -0.155 0.000 2.514 126 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.217 126 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.217 126 G C 1.472 176.196 174.900 -0.293 0.000 1.198 126 G CA 1.595 46.575 45.100 -0.201 0.000 0.780 126 G HN 0.364 nan 8.290 nan 0.000 0.565 127 M N 1.173 120.521 119.600 -0.421 0.000 2.229 127 M HA 0.117 4.595 4.480 -0.003 0.000 0.264 127 M C 2.930 179.016 176.300 -0.357 0.000 1.063 127 M CA 0.943 56.008 55.300 -0.393 0.000 1.114 127 M CB -1.442 30.892 32.600 -0.443 0.000 1.387 127 M HN 0.330 nan 8.290 nan 0.000 0.420 128 A N 0.124 122.652 122.820 -0.487 0.000 1.873 128 A HA -0.128 4.190 4.320 -0.003 0.000 0.215 128 A C 2.395 179.501 177.584 -0.798 0.000 1.186 128 A CA 2.252 53.821 52.037 -0.780 0.000 0.616 128 A CB -1.142 17.057 19.000 -1.334 0.000 0.823 128 A HN 0.445 nan 8.150 nan 0.000 0.442 129 T N -0.474 113.687 114.554 -0.654 0.000 2.652 129 T HA -0.166 4.182 4.350 -0.003 0.000 0.267 129 T C 2.288 176.873 174.700 -0.193 0.000 1.039 129 T CA 1.887 63.839 62.100 -0.246 0.000 1.153 129 T CB -0.445 68.354 68.868 -0.116 0.000 0.863 129 T HN 0.521 nan 8.240 nan 0.000 0.428 130 S N 0.486 116.065 115.700 -0.201 0.000 2.383 130 S HA -0.147 4.322 4.470 -0.003 0.000 0.229 130 S C 2.331 176.850 174.600 -0.135 0.000 1.030 130 S CA 1.758 59.876 58.200 -0.137 0.000 1.002 130 S CB -0.479 62.649 63.200 -0.120 0.000 0.829 130 S HN 0.450 nan 8.310 nan 0.000 0.467 131 S N 0.537 116.126 115.700 -0.185 0.000 2.345 131 S HA -0.041 4.427 4.470 -0.003 0.000 0.220 131 S C 1.922 176.453 174.600 -0.115 0.000 1.031 131 S CA 1.328 59.438 58.200 -0.150 0.000 0.996 131 S CB -0.534 62.565 63.200 -0.168 0.000 0.882 131 S HN 0.425 nan 8.310 nan 0.000 0.445 132 V N 1.693 121.525 119.914 -0.136 0.000 2.392 132 V HA -0.147 3.971 4.120 -0.003 0.000 0.249 132 V C 2.273 178.329 176.094 -0.063 0.000 1.059 132 V CA 1.398 63.645 62.300 -0.088 0.000 1.051 132 V CB -0.750 31.038 31.823 -0.058 0.000 0.658 132 V HN 0.311 nan 8.190 nan 0.000 0.455 133 V N -0.521 119.356 119.914 -0.062 0.000 2.270 133 V HA -0.248 3.870 4.120 -0.003 0.000 0.245 133 V C 2.430 178.510 176.094 -0.024 0.000 1.043 133 V CA 1.983 64.257 62.300 -0.043 0.000 1.014 133 V CB -0.654 31.144 31.823 -0.043 0.000 0.645 133 V HN 0.499 nan 8.190 nan 0.000 0.447 134 K N 0.129 120.512 120.400 -0.028 0.000 2.089 134 K HA -0.209 4.109 4.320 -0.003 0.000 0.210 134 K C 2.143 178.743 176.600 -0.000 0.000 1.048 134 K CA 1.727 58.007 56.287 -0.011 0.000 0.926 134 K CB -0.642 31.842 32.500 -0.028 0.000 0.714 134 K HN 0.586 nan 8.250 nan 0.000 0.448 135 G N 0.626 109.419 108.800 -0.012 0.000 2.403 135 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.216 135 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.216 135 G C 1.445 176.353 174.900 0.014 0.000 1.154 135 G CA 0.459 45.559 45.100 -0.000 0.000 0.784 135 G HN 0.117 nan 8.290 nan 0.000 0.538 136 M N 0.038 119.641 119.600 0.005 0.000 2.099 136 M HA -0.058 4.420 4.480 -0.003 0.000 0.262 136 M C 2.692 179.030 176.300 0.063 0.000 1.067 136 M CA 1.400 56.710 55.300 0.017 0.000 1.124 136 M CB -0.242 32.353 32.600 -0.008 0.000 1.353 136 M HN 0.205 nan 8.290 nan 0.000 0.410 137 Q N -0.559 119.286 119.800 0.076 0.000 2.398 137 Q HA 0.054 4.392 4.340 -0.003 0.000 0.204 137 Q C 2.104 178.204 176.000 0.167 0.000 0.932 137 Q CA 0.796 56.701 55.803 0.171 0.000 0.916 137 Q CB -0.066 28.743 28.738 0.118 0.000 1.024 137 Q HN 0.646 nan 8.270 nan 0.000 0.504 138 G N 1.342 110.195 108.800 0.089 0.000 2.448 138 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.219 138 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.219 138 G C 1.181 176.110 174.900 0.048 0.000 1.127 138 G CA 0.448 45.584 45.100 0.060 0.000 0.766 138 G HN 0.146 nan 8.290 nan 0.000 0.552 139 E N 0.256 120.489 120.200 0.055 0.000 2.403 139 E HA 0.200 4.548 4.350 -0.003 0.000 0.188 139 E C 1.821 178.444 176.600 0.037 0.000 1.056 139 E CA 0.393 56.816 56.400 0.039 0.000 0.892 139 E CB -0.112 29.613 29.700 0.041 0.000 1.049 139 E HN 0.397 nan 8.360 nan 0.000 0.465 140 G N 1.090 109.924 108.800 0.057 0.000 2.212 140 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.266 140 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.266 140 G C 0.403 175.385 174.900 0.138 0.000 0.978 140 G CA 0.091 45.186 45.100 -0.008 0.000 0.632 140 G HN 0.246 nan 8.290 nan 0.000 0.537 141 I N 1.926 122.611 120.570 0.191 0.000 2.441 141 I HA 0.563 4.731 4.170 -0.003 0.000 0.287 141 I C 1.153 177.428 176.117 0.264 0.000 1.049 141 I CA -0.680 60.753 61.300 0.221 0.000 1.381 141 I CB 0.599 38.661 38.000 0.103 0.000 1.409 141 I HN 0.385 nan 8.210 nan 0.000 0.523 142 A N 5.784 128.742 122.820 0.231 0.000 2.440 142 A HA 0.614 4.932 4.320 -0.003 0.000 0.251 142 A C 0.411 177.956 177.584 -0.066 0.000 1.089 142 A CA -0.334 51.643 52.037 -0.100 0.000 0.779 142 A CB 0.203 19.121 19.000 -0.137 0.000 1.022 142 A HN 0.879 nan 8.150 nan 0.000 0.492 143 A N 2.058 124.815 122.820 -0.105 0.000 2.279 143 A HA 0.702 5.020 4.320 -0.003 0.000 0.303 143 A C 0.261 177.820 177.584 -0.041 0.000 1.108 143 A CA -0.308 51.691 52.037 -0.062 0.000 0.830 143 A CB 0.485 19.453 19.000 -0.054 0.000 1.106 143 A HN 0.846 nan 8.150 nan 0.000 0.493 144 T N 1.784 116.318 114.554 -0.034 0.000 2.991 144 T HA 0.402 4.751 4.350 -0.003 0.000 0.347 144 T C -0.428 174.257 174.700 -0.026 0.000 1.122 144 T CA -0.300 61.795 62.100 -0.007 0.000 1.062 144 T CB 0.404 69.269 68.868 -0.006 0.000 1.043 144 T HN 0.439 nan 8.240 nan 0.000 0.491 145 V N 5.048 124.956 119.914 -0.010 0.000 2.572 145 V HA 0.402 4.521 4.120 -0.003 0.000 0.291 145 V C 0.493 176.641 176.094 0.090 0.000 1.039 145 V CA -0.235 62.049 62.300 -0.028 0.000 1.055 145 V CB 0.143 31.923 31.823 -0.071 0.000 0.969 145 V HN 0.823 nan 8.190 nan 0.000 0.482 146 K N 3.462 123.849 120.400 -0.021 0.000 2.509 146 K HA 0.618 4.936 4.320 -0.003 0.000 0.266 146 K C -1.476 175.054 176.600 -0.117 0.000 0.987 146 K CA -1.047 55.219 56.287 -0.034 0.000 0.868 146 K CB 2.035 34.346 32.500 -0.316 0.000 1.421 146 K HN 0.670 nan 8.250 nan 0.000 0.444 147 H N 0.590 119.845 119.070 0.308 0.000 2.511 147 H HA 0.296 4.850 4.556 -0.003 0.000 0.328 147 H C -1.528 173.963 175.328 0.271 0.000 1.044 147 H CA -0.558 55.630 56.048 0.233 0.000 1.212 147 H CB 1.011 30.820 29.762 0.078 0.000 1.428 147 H HN 0.429 nan 8.280 nan 0.000 0.483 148 F N 4.974 124.928 119.950 0.006 0.000 2.434 148 F HA 0.398 4.923 4.527 -0.003 0.000 0.358 148 F C -0.532 175.132 175.800 -0.226 0.000 1.136 148 F CA -0.125 57.614 58.000 -0.434 0.000 1.157 148 F CB 0.025 38.653 39.000 -0.619 0.000 1.167 148 F HN 0.339 nan 8.300 nan 0.000 0.539 149 V N 5.073 124.704 119.914 -0.472 0.000 3.206 149 V HA 0.371 4.489 4.120 -0.003 0.000 0.305 149 V C -0.273 175.684 176.094 -0.228 0.000 1.257 149 V CA -0.806 61.214 62.300 -0.467 0.000 1.057 149 V CB 1.893 33.148 31.823 -0.947 0.000 1.075 149 V HN 0.865 nan 8.190 nan 0.000 0.443 150 C N 2.213 121.456 119.300 -0.096 0.000 4.397 150 C HA -0.110 4.348 4.460 -0.003 0.000 0.291 150 C C 0.821 175.802 174.990 -0.015 0.000 1.408 150 C CA 0.921 59.860 59.018 -0.132 0.000 1.971 150 C CB -2.895 24.609 27.740 -0.394 0.000 1.258 150 C HN 1.002 nan 8.230 nan 0.000 0.795 151 N N 1.340 120.076 118.700 0.060 0.000 3.178 151 N HA 0.156 4.894 4.740 -0.003 0.000 0.300 151 N C 0.538 176.112 175.510 0.106 0.000 1.242 151 N CA 0.157 53.256 53.050 0.081 0.000 1.192 151 N CB 0.046 38.598 38.487 0.108 0.000 1.463 151 N HN 0.497 nan 8.380 nan 0.000 0.539 152 D N 0.789 121.232 120.400 0.073 0.000 2.395 152 D HA 0.112 4.750 4.640 -0.003 0.000 0.213 152 D C 0.033 176.316 176.300 -0.029 0.000 1.110 152 D CA 0.027 54.080 54.000 0.089 0.000 0.835 152 D CB 0.458 41.343 40.800 0.142 0.000 0.965 152 D HN 0.376 nan 8.370 nan 0.000 0.505 153 L N -2.907 118.224 121.223 -0.153 0.000 2.502 153 L HA 0.550 4.888 4.340 -0.003 0.000 0.253 153 L C 0.354 177.164 176.870 -0.099 0.000 1.070 153 L CA -0.720 53.958 54.840 -0.270 0.000 0.871 153 L CB 1.225 42.760 42.059 -0.873 0.000 1.487 153 L HN -0.461 nan 8.230 nan 0.000 0.408 154 E N -0.574 119.599 120.200 -0.045 0.000 2.460 154 E HA 0.087 4.435 4.350 -0.003 0.000 0.200 154 E C -0.621 176.000 176.600 0.034 0.000 1.011 154 E CA 0.301 56.718 56.400 0.029 0.000 0.912 154 E CB 0.344 30.094 29.700 0.084 0.000 0.953 154 E HN 0.808 nan 8.360 nan 0.000 0.494 155 D N 1.437 121.831 120.400 -0.010 0.000 2.343 155 D HA 0.004 4.642 4.640 -0.003 0.000 0.255 155 D C -0.195 176.104 176.300 -0.002 0.000 1.187 155 D CA 0.316 54.320 54.000 0.007 0.000 0.875 155 D CB 0.324 41.104 40.800 -0.032 0.000 1.136 155 D HN -0.122 nan 8.370 nan 0.000 0.469 156 Q N 1.589 121.411 119.800 0.038 0.000 2.453 156 Q HA -0.309 4.029 4.340 -0.003 0.000 0.294 156 Q C 1.126 177.174 176.000 0.081 0.000 1.295 156 Q CA 0.784 56.620 55.803 0.055 0.000 0.853 156 Q CB -0.914 27.835 28.738 0.019 0.000 1.193 156 Q HN 0.696 nan 8.270 nan 0.000 0.461 157 R N -0.787 119.766 120.500 0.089 0.000 2.159 157 R HA -0.157 4.181 4.340 -0.003 0.000 0.237 157 R C 1.228 177.588 176.300 0.100 0.000 1.131 157 R CA 1.812 57.949 56.100 0.062 0.000 0.982 157 R CB -0.436 29.880 30.300 0.026 0.000 0.868 157 R HN 0.352 nan 8.270 nan 0.000 0.453 158 F N 1.933 121.870 119.950 -0.021 0.000 2.365 158 F HA -0.108 4.418 4.527 -0.002 0.000 0.300 158 F C 2.195 178.090 175.800 0.158 0.000 1.090 158 F CA 1.606 59.663 58.000 0.096 0.000 1.408 158 F CB 0.258 39.295 39.000 0.062 0.000 1.060 158 F HN 0.255 nan 8.300 nan 0.000 0.534 159 S N -3.124 112.711 115.700 0.225 0.000 2.687 159 S HA 0.139 4.607 4.470 -0.003 0.000 0.247 159 S C 0.627 175.195 174.600 -0.054 0.000 1.050 159 S CA -0.420 57.826 58.200 0.076 0.000 1.063 159 S CB -0.221 63.022 63.200 0.073 0.000 1.039 159 S HN 0.007 nan 8.310 nan 0.000 0.580 160 S N 3.098 118.784 115.700 -0.023 0.000 2.537 160 S HA 0.312 4.780 4.470 -0.003 0.000 0.286 160 S C -0.273 174.259 174.600 -0.112 0.000 1.299 160 S CA -0.318 57.848 58.200 -0.057 0.000 1.067 160 S CB -0.129 63.047 63.200 -0.041 0.000 0.864 160 S HN 0.514 nan 8.310 nan 0.000 0.494 161 N N 3.372 122.004 118.700 -0.114 0.000 2.501 161 N HA 0.236 4.974 4.740 -0.003 0.000 0.245 161 N C -1.161 174.277 175.510 -0.119 0.000 0.974 161 N CA -0.303 52.657 53.050 -0.150 0.000 0.941 161 N CB 0.861 39.262 38.487 -0.143 0.000 1.122 161 N HN 0.369 nan 8.380 nan 0.000 0.507 162 S N 4.131 119.732 115.700 -0.165 0.000 2.430 162 S HA 0.320 4.789 4.470 -0.003 0.000 0.282 162 S C 0.513 174.900 174.600 -0.355 0.000 1.186 162 S CA -0.419 57.644 58.200 -0.229 0.000 1.060 162 S CB -0.128 62.827 63.200 -0.409 0.000 0.966 162 S HN 0.467 nan 8.310 nan 0.000 0.501 163 I N 4.091 124.520 120.570 -0.235 0.000 2.307 163 I HA 0.442 4.611 4.170 -0.003 0.000 0.289 163 I C -0.336 175.639 176.117 -0.237 0.000 1.021 163 I CA -0.479 60.703 61.300 -0.197 0.000 1.224 163 I CB 1.123 39.077 38.000 -0.077 0.000 1.376 163 I HN 0.293 nan 8.210 nan 0.000 0.470 164 V N 6.141 125.869 119.914 -0.309 0.000 2.777 164 V HA 0.405 4.524 4.120 -0.003 0.000 0.306 164 V C 0.138 176.129 176.094 -0.170 0.000 1.112 164 V CA -0.392 61.725 62.300 -0.306 0.000 0.917 164 V CB 2.447 33.846 31.823 -0.707 0.000 1.018 164 V HN 0.844 nan 8.190 nan 0.000 0.426 165 S N 3.653 119.313 115.700 -0.065 0.000 2.572 165 S HA 0.080 4.549 4.470 -0.003 0.000 0.267 165 S C 1.033 175.582 174.600 -0.085 0.000 1.361 165 S CA 1.031 59.204 58.200 -0.045 0.000 1.009 165 S CB 0.977 64.184 63.200 0.011 0.000 0.888 165 S HN 1.071 nan 8.310 nan 0.000 0.553 166 E N 1.064 121.215 120.200 -0.081 0.000 2.106 166 E HA -0.141 4.207 4.350 -0.003 0.000 0.192 166 E C 2.235 178.698 176.600 -0.229 0.000 0.984 166 E CA 1.497 57.799 56.400 -0.163 0.000 0.806 166 E CB -0.220 29.416 29.700 -0.106 0.000 0.750 166 E HN 0.730 nan 8.360 nan 0.000 0.458 167 R N -0.221 120.253 120.500 -0.044 0.000 2.080 167 R HA -0.149 4.189 4.340 -0.003 0.000 0.236 167 R C 2.226 178.495 176.300 -0.052 0.000 1.137 167 R CA 1.564 57.671 56.100 0.011 0.000 0.943 167 R CB -0.499 29.877 30.300 0.126 0.000 0.846 167 R HN 0.261 nan 8.270 nan 0.000 0.431 168 A N 1.127 123.948 122.820 0.001 0.000 1.908 168 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 168 A C 2.052 179.706 177.584 0.118 0.000 1.181 168 A CA 1.393 53.474 52.037 0.073 0.000 0.627 168 A CB -0.649 18.453 19.000 0.171 0.000 0.818 168 A HN 0.404 nan 8.150 nan 0.000 0.445 169 L N -0.480 120.756 121.223 0.022 0.000 2.017 169 L HA -0.138 4.201 4.340 -0.003 0.000 0.208 169 L C 2.434 179.287 176.870 -0.028 0.000 1.073 169 L CA 1.843 56.693 54.840 0.018 0.000 0.745 169 L CB -0.553 41.406 42.059 -0.166 0.000 0.894 169 L HN 0.237 nan 8.230 nan 0.000 0.432 170 R N 0.123 120.476 120.500 -0.245 0.000 2.070 170 R HA -0.112 4.227 4.340 -0.003 0.000 0.233 170 R C 2.188 178.545 176.300 0.095 0.000 1.137 170 R CA 1.905 57.830 56.100 -0.292 0.000 0.945 170 R CB -0.710 28.897 30.300 -1.155 0.000 0.845 170 R HN 0.576 nan 8.270 nan 0.000 0.430 171 E N -0.243 120.002 120.200 0.076 0.000 2.158 171 E HA -0.027 4.321 4.350 -0.003 0.000 0.191 171 E C 1.754 178.409 176.600 0.092 0.000 0.982 171 E CA 0.591 57.125 56.400 0.224 0.000 0.823 171 E CB 0.207 30.011 29.700 0.172 0.000 0.766 171 E HN 0.188 nan 8.360 nan 0.000 0.468 172 I N -0.906 119.625 120.570 -0.064 0.000 3.136 172 I HA -0.044 4.124 4.170 -0.003 0.000 0.262 172 I C 1.648 177.571 176.117 -0.323 0.000 1.132 172 I CA 1.012 62.107 61.300 -0.341 0.000 1.450 172 I CB -0.957 36.535 38.000 -0.848 0.000 1.315 172 I HN 0.058 nan 8.210 nan 0.000 0.460 173 Y N 0.814 121.194 120.300 0.133 0.000 2.396 173 Y HA 0.202 4.751 4.550 -0.003 0.000 0.292 173 Y C 2.477 178.522 175.900 0.242 0.000 1.128 173 Y CA 0.411 58.605 58.100 0.158 0.000 1.194 173 Y CB -0.496 38.011 38.460 0.079 0.000 1.124 173 Y HN -0.109 nan 8.280 nan 0.000 0.543 174 L N -0.060 121.353 121.223 0.318 0.000 2.141 174 L HA -0.149 4.189 4.340 -0.003 0.000 0.209 174 L C 2.377 179.578 176.870 0.552 0.000 1.094 174 L CA 1.285 56.387 54.840 0.437 0.000 0.763 174 L CB -0.320 41.963 42.059 0.373 0.000 0.908 174 L HN 0.151 nan 8.230 nan 0.000 0.437 175 E N 0.737 121.159 120.200 0.370 0.000 2.049 175 E HA -0.207 4.141 4.350 -0.003 0.000 0.198 175 E C -0.588 176.115 176.600 0.172 0.000 1.007 175 E CA 1.865 58.422 56.400 0.262 0.000 0.809 175 E CB -1.117 28.714 29.700 0.218 0.000 0.749 175 E HN 0.246 nan 8.360 nan 0.000 0.450 176 P HA -0.123 nan 4.420 nan 0.000 0.218 176 P C 0.909 178.181 177.300 -0.047 0.000 1.148 176 P CA 1.262 64.365 63.100 0.004 0.000 0.822 176 P CB -0.147 31.519 31.700 -0.057 0.000 0.784 177 F N -0.539 119.487 119.950 0.127 0.000 2.163 177 F HA -0.018 4.508 4.527 -0.003 0.000 0.297 177 F C 2.757 178.501 175.800 -0.094 0.000 1.094 177 F CA 1.070 59.150 58.000 0.132 0.000 1.290 177 F CB -0.576 38.689 39.000 0.441 0.000 1.017 177 F HN -0.233 nan 8.300 nan 0.000 0.483 178 R N 0.841 121.282 120.500 -0.098 0.000 2.073 178 R HA -0.162 4.176 4.340 -0.003 0.000 0.234 178 R C 2.136 178.174 176.300 -0.438 0.000 1.134 178 R CA 1.485 57.099 56.100 -0.810 0.000 0.952 178 R CB -0.597 29.288 30.300 -0.691 0.000 0.850 178 R HN 0.308 nan 8.270 nan 0.000 0.433 179 L N 0.310 121.411 121.223 -0.203 0.000 2.042 179 L HA -0.151 4.188 4.340 -0.003 0.000 0.210 179 L C 2.705 179.513 176.870 -0.104 0.000 1.076 179 L CA 1.456 56.224 54.840 -0.120 0.000 0.749 179 L CB -0.478 41.560 42.059 -0.034 0.000 0.893 179 L HN 0.333 nan 8.230 nan 0.000 0.432 180 A N -0.901 121.849 122.820 -0.117 0.000 1.968 180 A HA -0.082 4.236 4.320 -0.003 0.000 0.217 180 A C 2.314 179.845 177.584 -0.089 0.000 1.169 180 A CA 1.226 53.205 52.037 -0.096 0.000 0.638 180 A CB -0.528 18.396 19.000 -0.126 0.000 0.812 180 A HN 0.190 nan 8.150 nan 0.000 0.446 181 V N 0.246 120.073 119.914 -0.145 0.000 2.323 181 V HA -0.223 3.895 4.120 -0.003 0.000 0.244 181 V C 2.542 178.582 176.094 -0.091 0.000 1.041 181 V CA 2.310 64.549 62.300 -0.101 0.000 1.025 181 V CB -0.525 31.208 31.823 -0.150 0.000 0.656 181 V HN 0.754 nan 8.190 nan 0.000 0.451 182 K N -0.860 119.391 120.400 -0.249 0.000 2.057 182 K HA -0.219 4.099 4.320 -0.003 0.000 0.207 182 K C 2.129 178.536 176.600 -0.323 0.000 1.049 182 K CA 1.888 57.974 56.287 -0.335 0.000 0.931 182 K CB -0.176 32.000 32.500 -0.539 0.000 0.714 182 K HN 0.541 nan 8.250 nan 0.000 0.440 183 H N -1.591 117.426 119.070 -0.089 0.000 2.516 183 H HA 0.234 4.788 4.556 -0.003 0.000 0.284 183 H C 1.286 176.582 175.328 -0.055 0.000 0.999 183 H CA 1.162 57.163 56.048 -0.079 0.000 1.303 183 H CB 0.782 30.481 29.762 -0.106 0.000 1.452 183 H HN 0.381 nan 8.280 nan 0.000 0.530 184 A N 0.408 123.264 122.820 0.061 0.000 2.358 184 A HA 0.054 4.372 4.320 -0.003 0.000 0.223 184 A C 0.659 178.274 177.584 0.050 0.000 1.218 184 A CA 0.229 52.288 52.037 0.037 0.000 0.942 184 A CB 0.136 19.139 19.000 0.004 0.000 1.005 184 A HN 0.328 nan 8.150 nan 0.000 0.514 185 N N 0.295 119.042 118.700 0.079 0.000 2.669 185 N HA -0.104 4.634 4.740 -0.003 0.000 0.266 185 N C -2.698 172.918 175.510 0.177 0.000 1.024 185 N CA 0.749 53.898 53.050 0.165 0.000 0.766 185 N CB -0.834 37.726 38.487 0.122 0.000 0.898 185 N HN 0.301 nan 8.380 nan 0.000 0.548 186 P HA 0.007 nan 4.420 nan 0.000 0.269 186 P C 1.073 178.502 177.300 0.215 0.000 1.215 186 P CA -0.392 62.787 63.100 0.131 0.000 0.780 186 P CB 0.729 32.476 31.700 0.079 0.000 0.898 187 V N 0.947 120.837 119.914 -0.041 0.000 2.379 187 V HA -0.113 4.005 4.120 -0.003 0.000 0.245 187 V C 1.080 177.211 176.094 0.062 0.000 1.044 187 V CA 1.656 63.853 62.300 -0.172 0.000 1.036 187 V CB -0.165 31.292 31.823 -0.610 0.000 0.664 187 V HN 0.615 nan 8.190 nan 0.000 0.453 188 C N -0.533 118.843 119.300 0.126 0.000 2.667 188 C HA 0.690 5.149 4.460 -0.003 0.000 0.323 188 C C -0.201 174.921 174.990 0.220 0.000 1.214 188 C CA -0.982 58.165 59.018 0.216 0.000 1.721 188 C CB 1.510 29.306 27.740 0.094 0.000 2.275 188 C HN 0.290 nan 8.230 nan 0.000 0.491 189 I N 1.977 122.672 120.570 0.208 0.000 2.582 189 I HA 0.418 4.586 4.170 -0.003 0.000 0.292 189 I C -0.477 175.684 176.117 0.074 0.000 1.066 189 I CA -0.380 60.938 61.300 0.030 0.000 1.053 189 I CB 1.715 39.534 38.000 -0.302 0.000 1.241 189 I HN 0.597 nan 8.210 nan 0.000 0.421 190 M N 5.753 125.412 119.600 0.099 0.000 2.180 190 M HA 0.360 4.838 4.480 -0.003 0.000 0.350 190 M C -0.049 176.342 176.300 0.151 0.000 1.125 190 M CA -0.374 55.004 55.300 0.130 0.000 1.031 190 M CB 1.401 34.096 32.600 0.157 0.000 1.623 190 M HN 0.738 nan 8.290 nan 0.000 0.451 191 T N 2.623 117.246 114.554 0.116 0.000 2.918 191 T HA 0.584 4.932 4.350 -0.003 0.000 0.302 191 T C 0.344 175.084 174.700 0.067 0.000 1.045 191 T CA -0.771 61.403 62.100 0.123 0.000 1.114 191 T CB 0.864 69.790 68.868 0.096 0.000 0.965 191 T HN 0.781 nan 8.240 nan 0.000 0.540 192 A N 2.162 125.024 122.820 0.071 0.000 2.346 192 A HA 0.439 4.757 4.320 -0.003 0.000 0.252 192 A C 0.750 178.311 177.584 -0.038 0.000 1.089 192 A CA -0.611 51.426 52.037 -0.000 0.000 0.797 192 A CB -0.271 18.750 19.000 0.035 0.000 1.047 192 A HN 0.935 nan 8.150 nan 0.000 0.494 193 Y N 0.834 121.095 120.300 -0.065 0.000 2.242 193 Y HA -0.126 4.422 4.550 -0.003 0.000 0.291 193 Y C 1.772 177.711 175.900 0.064 0.000 1.137 193 Y CA 1.466 59.523 58.100 -0.071 0.000 1.181 193 Y CB -0.345 37.925 38.460 -0.317 0.000 0.989 193 Y HN 0.774 nan 8.280 nan 0.000 0.527 194 N N 1.241 120.036 118.700 0.158 0.000 2.364 194 N HA 0.096 4.834 4.740 -0.003 0.000 0.264 194 N C -0.666 174.822 175.510 -0.035 0.000 1.263 194 N CA -0.401 52.679 53.050 0.051 0.000 0.959 194 N CB 0.904 39.381 38.487 -0.017 0.000 1.204 194 N HN 0.090 nan 8.380 nan 0.000 0.550 195 K N -0.339 119.931 120.400 -0.217 0.000 2.095 195 K HA 0.486 4.804 4.320 -0.003 0.000 0.252 195 K C -0.781 175.678 176.600 -0.234 0.000 0.977 195 K CA -0.883 55.233 56.287 -0.286 0.000 0.900 195 K CB 1.662 33.910 32.500 -0.420 0.000 1.060 195 K HN 0.214 nan 8.250 nan 0.000 0.449 196 V N 3.213 122.986 119.914 -0.236 0.000 2.384 196 V HA 0.092 4.210 4.120 -0.003 0.000 0.287 196 V C -0.292 175.661 176.094 -0.235 0.000 1.020 196 V CA -0.860 61.278 62.300 -0.270 0.000 0.850 196 V CB 0.921 32.563 31.823 -0.302 0.000 0.987 196 V HN 0.828 nan 8.190 nan 0.000 0.436 197 N N 4.587 123.148 118.700 -0.232 0.000 2.714 197 N HA -0.224 4.514 4.740 -0.003 0.000 0.252 197 N C 1.108 176.525 175.510 -0.155 0.000 1.014 197 N CA 1.412 54.353 53.050 -0.180 0.000 0.735 197 N CB -1.006 37.379 38.487 -0.169 0.000 0.924 197 N HN 1.458 nan 8.380 nan 0.000 0.540 198 G N -1.383 107.316 108.800 -0.169 0.000 2.194 198 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.236 198 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.236 198 G C -0.198 174.592 174.900 -0.184 0.000 0.987 198 G CA 0.566 45.570 45.100 -0.160 0.000 0.635 198 G HN 0.663 nan 8.290 nan 0.000 0.520 199 E N 0.125 120.210 120.200 -0.192 0.000 2.234 199 E HA 0.631 4.979 4.350 -0.003 0.000 0.266 199 E C -0.276 176.222 176.600 -0.171 0.000 0.877 199 E CA -0.853 55.453 56.400 -0.157 0.000 0.758 199 E CB 0.662 30.301 29.700 -0.102 0.000 1.170 199 E HN 0.401 nan 8.360 nan 0.000 0.415 200 H N 2.899 121.885 119.070 -0.140 0.000 2.886 200 H HA 0.040 4.594 4.556 -0.003 0.000 0.329 200 H C 0.743 176.035 175.328 -0.061 0.000 1.044 200 H CA 0.026 55.986 56.048 -0.147 0.000 1.456 200 H CB 0.677 30.309 29.762 -0.217 0.000 1.464 200 H HN 0.676 nan 8.280 nan 0.000 0.573 201 C N 1.628 120.977 119.300 0.081 0.000 2.410 201 C HA -0.179 4.279 4.460 -0.003 0.000 0.281 201 C C 2.523 177.560 174.990 0.078 0.000 1.318 201 C CA 1.603 60.637 59.018 0.026 0.000 1.776 201 C CB -0.969 26.766 27.740 -0.009 0.000 1.942 201 C HN 0.914 nan 8.230 nan 0.000 0.508 202 S N 0.729 116.508 115.700 0.132 0.000 2.603 202 S HA -0.071 4.398 4.470 -0.003 0.000 0.220 202 S C 1.199 175.833 174.600 0.057 0.000 0.967 202 S CA 0.569 58.822 58.200 0.088 0.000 0.920 202 S CB -0.494 62.744 63.200 0.064 0.000 0.773 202 S HN 0.925 nan 8.310 nan 0.000 0.529 203 Q N 0.120 119.961 119.800 0.069 0.000 2.086 203 Q HA 0.352 4.690 4.340 -0.003 0.000 0.220 203 Q C -0.170 175.840 176.000 0.016 0.000 0.792 203 Q CA -0.249 55.572 55.803 0.031 0.000 1.062 203 Q CB 0.172 28.923 28.738 0.022 0.000 1.198 203 Q HN 0.261 nan 8.270 nan 0.000 0.466 204 S N 1.481 117.190 115.700 0.014 0.000 2.411 204 S HA 0.151 4.620 4.470 -0.003 0.000 0.304 204 S C 0.847 175.438 174.600 -0.016 0.000 1.098 204 S CA -0.406 57.784 58.200 -0.017 0.000 1.068 204 S CB 1.013 64.186 63.200 -0.046 0.000 1.032 204 S HN 0.458 nan 8.310 nan 0.000 0.511 205 K N 4.825 125.212 120.400 -0.021 0.000 2.032 205 K HA -0.171 4.147 4.320 -0.003 0.000 0.209 205 K C 2.069 178.648 176.600 -0.036 0.000 1.048 205 K CA 1.481 57.755 56.287 -0.021 0.000 0.927 205 K CB -0.228 32.259 32.500 -0.021 0.000 0.712 205 K HN 0.660 nan 8.250 nan 0.000 0.441 206 K N 0.722 121.090 120.400 -0.054 0.000 2.052 206 K HA -0.205 4.113 4.320 -0.003 0.000 0.215 206 K C 2.134 178.680 176.600 -0.090 0.000 1.053 206 K CA 1.984 58.224 56.287 -0.077 0.000 0.934 206 K CB -0.176 32.266 32.500 -0.097 0.000 0.717 206 K HN 0.236 nan 8.250 nan 0.000 0.450 207 L N 0.382 121.562 121.223 -0.072 0.000 2.095 207 L HA -0.093 4.246 4.340 -0.003 0.000 0.204 207 L C 2.332 179.244 176.870 0.070 0.000 1.080 207 L CA 0.613 55.440 54.840 -0.022 0.000 0.759 207 L CB -0.132 41.898 42.059 -0.048 0.000 0.914 207 L HN 0.198 nan 8.230 nan 0.000 0.439 208 L N -1.173 120.074 121.223 0.040 0.000 2.298 208 L HA 0.026 4.364 4.340 -0.003 0.000 0.209 208 L C 2.056 178.931 176.870 0.008 0.000 1.084 208 L CA 0.765 55.625 54.840 0.034 0.000 0.816 208 L CB 0.095 42.180 42.059 0.043 0.000 0.967 208 L HN 0.213 nan 8.230 nan 0.000 0.460 209 I N -0.969 119.596 120.570 -0.008 0.000 3.196 209 I HA -0.036 4.133 4.170 -0.003 0.000 0.248 209 I C 1.793 177.891 176.117 -0.031 0.000 1.105 209 I CA 0.275 61.571 61.300 -0.008 0.000 1.482 209 I CB -0.097 37.902 38.000 -0.003 0.000 1.400 209 I HN 0.021 nan 8.210 nan 0.000 0.464 210 D N 1.547 121.918 120.400 -0.048 0.000 2.104 210 D HA -0.135 4.503 4.640 -0.003 0.000 0.194 210 D C 2.145 178.385 176.300 -0.099 0.000 0.994 210 D CA 1.611 55.578 54.000 -0.055 0.000 0.830 210 D CB -0.035 40.731 40.800 -0.057 0.000 0.959 210 D HN 0.292 nan 8.370 nan 0.000 0.452 211 I N -0.054 120.401 120.570 -0.192 0.000 2.260 211 I HA -0.133 4.035 4.170 -0.003 0.000 0.237 211 I C 2.411 178.195 176.117 -0.556 0.000 1.075 211 I CA 0.374 61.423 61.300 -0.418 0.000 1.376 211 I CB -0.075 37.611 38.000 -0.523 0.000 1.107 211 I HN -0.076 nan 8.210 nan 0.000 0.420 212 L N 0.273 121.250 121.223 -0.410 0.000 2.042 212 L HA -0.208 4.131 4.340 -0.003 0.000 0.210 212 L C 2.758 179.699 176.870 0.119 0.000 1.076 212 L CA 1.281 56.009 54.840 -0.186 0.000 0.749 212 L CB -0.464 41.525 42.059 -0.117 0.000 0.893 212 L HN 0.271 nan 8.230 nan 0.000 0.432 213 R N -0.468 120.071 120.500 0.066 0.000 2.039 213 R HA 0.018 4.357 4.340 -0.003 0.000 0.218 213 R C 1.862 178.219 176.300 0.095 0.000 1.220 213 R CA 0.867 57.029 56.100 0.104 0.000 0.993 213 R CB -1.077 29.259 30.300 0.060 0.000 0.881 213 R HN 0.217 nan 8.270 nan 0.000 0.450 214 D N 1.044 121.476 120.400 0.054 0.000 2.144 214 D HA -0.134 4.505 4.640 -0.003 0.000 0.199 214 D C 1.714 178.077 176.300 0.105 0.000 0.984 214 D CA 1.131 55.169 54.000 0.063 0.000 0.834 214 D CB 0.103 40.925 40.800 0.036 0.000 0.955 214 D HN 0.387 nan 8.370 nan 0.000 0.465 215 E N -0.829 119.435 120.200 0.106 0.000 2.045 215 E HA -0.068 4.280 4.350 -0.003 0.000 0.190 215 E C 1.446 178.292 176.600 0.411 0.000 0.968 215 E CA 0.269 56.795 56.400 0.210 0.000 0.813 215 E CB 0.095 29.884 29.700 0.148 0.000 0.780 215 E HN 0.164 nan 8.360 nan 0.000 0.455 216 W N 1.360 122.753 121.300 0.154 0.000 2.905 216 W HA 0.128 4.787 4.660 -0.003 0.000 0.251 216 W C 0.267 176.884 176.519 0.163 0.000 1.305 216 W CA 0.132 57.574 57.345 0.162 0.000 1.465 216 W CB 0.230 29.786 29.460 0.160 0.000 1.122 216 W HN 0.080 nan 8.180 nan 0.000 0.659 217 K N -1.548 119.062 120.400 0.350 0.000 3.020 217 K HA -0.270 4.048 4.320 -0.003 0.000 0.266 217 K C -0.204 176.553 176.600 0.261 0.000 1.067 217 K CA 1.035 57.461 56.287 0.232 0.000 0.780 217 K CB -2.470 30.126 32.500 0.160 0.000 1.220 217 K HN 0.354 nan 8.250 nan 0.000 0.483 218 W N 1.575 122.965 121.300 0.151 0.000 2.218 218 W HA 0.217 4.875 4.660 -0.003 0.000 0.326 218 W C 0.778 177.326 176.519 0.048 0.000 1.276 218 W CA 0.167 57.575 57.345 0.104 0.000 1.210 218 W CB 0.623 30.173 29.460 0.150 0.000 1.143 218 W HN 0.112 nan 8.180 nan 0.000 0.563 219 D N 2.935 122.809 120.400 -0.876 0.000 2.582 219 D HA 0.201 4.839 4.640 -0.003 0.000 0.246 219 D C 0.748 176.449 176.300 -0.999 0.000 1.334 219 D CA 0.042 53.619 54.000 -0.705 0.000 0.805 219 D CB -0.179 40.424 40.800 -0.329 0.000 1.087 219 D HN 0.412 nan 8.370 nan 0.000 0.499 220 G N 0.227 107.796 108.800 -2.051 0.000 2.516 220 G HA2 0.339 4.297 3.960 -0.003 0.000 0.276 220 G HA3 0.339 4.297 3.960 -0.003 0.000 0.276 220 G C -0.188 174.174 174.900 -0.897 0.000 1.390 220 G CA -0.510 43.800 45.100 -1.317 0.000 1.050 220 G HN 0.223 nan 8.290 nan 0.000 0.519 221 M N 0.074 119.538 119.600 -0.227 0.000 2.294 221 M HA 0.506 4.985 4.480 -0.003 0.000 0.335 221 M C -1.193 175.246 176.300 0.232 0.000 1.079 221 M CA -0.606 54.692 55.300 -0.003 0.000 0.982 221 M CB 1.357 33.968 32.600 0.019 0.000 1.651 221 M HN 0.227 nan 8.290 nan 0.000 0.437 222 L N 6.747 128.089 121.223 0.199 0.000 2.265 222 L HA 0.435 4.774 4.340 -0.003 0.000 0.288 222 L C -0.133 176.815 176.870 0.130 0.000 1.058 222 L CA -0.376 54.570 54.840 0.177 0.000 0.809 222 L CB 1.041 43.183 42.059 0.138 0.000 1.179 222 L HN 0.767 nan 8.230 nan 0.000 0.429 223 M N 1.854 121.535 119.600 0.135 0.000 2.508 223 M HA 0.615 5.094 4.480 -0.003 0.000 0.327 223 M C 0.039 176.409 176.300 0.117 0.000 1.160 223 M CA -0.546 54.844 55.300 0.149 0.000 0.980 223 M CB 2.024 34.713 32.600 0.148 0.000 1.693 223 M HN 0.476 nan 8.290 nan 0.000 0.452 224 S N 0.371 116.124 115.700 0.088 0.000 2.603 224 S HA 0.214 4.683 4.470 -0.003 0.000 0.268 224 S C -0.124 174.531 174.600 0.091 0.000 1.317 224 S CA -0.677 57.542 58.200 0.031 0.000 1.012 224 S CB 0.798 63.967 63.200 -0.052 0.000 0.926 224 S HN 0.818 nan 8.310 nan 0.000 0.539 225 D N 0.232 120.619 120.400 -0.022 0.000 2.362 225 D HA 0.002 4.640 4.640 -0.003 0.000 0.238 225 D C -0.374 176.030 176.300 0.174 0.000 1.212 225 D CA -0.083 53.881 54.000 -0.060 0.000 0.902 225 D CB 0.383 40.644 40.800 -0.899 0.000 1.180 225 D HN 0.648 nan 8.370 nan 0.000 0.445 226 W N 2.881 124.125 121.300 -0.094 0.000 2.529 226 W HA 0.056 4.714 4.660 -0.003 0.000 0.319 226 W C 0.443 177.059 176.519 0.163 0.000 1.362 226 W CA -0.560 56.771 57.345 -0.024 0.000 1.348 226 W CB -0.168 29.362 29.460 0.118 0.000 1.403 226 W HN 0.515 nan 8.180 nan 0.000 0.519 227 F N 0.631 120.743 119.950 0.270 0.000 2.748 227 F HA -0.244 4.282 4.527 -0.003 0.000 0.370 227 F C 1.633 177.530 175.800 0.162 0.000 0.620 227 F CA 0.683 58.852 58.000 0.282 0.000 1.233 227 F CB -1.743 37.548 39.000 0.485 0.000 1.708 227 F HN 0.506 nan 8.300 nan 0.000 0.298 228 G N 1.063 109.948 108.800 0.141 0.000 3.397 228 G HA2 0.377 4.336 3.960 -0.003 0.000 0.248 228 G HA3 0.377 4.336 3.960 -0.003 0.000 0.248 228 G C 0.044 174.541 174.900 -0.672 0.000 1.284 228 G CA 0.725 45.705 45.100 -0.200 0.000 1.570 228 G HN 0.231 nan 8.290 nan 0.000 0.587 229 T N -0.424 113.626 114.554 -0.841 0.000 2.841 229 T HA 0.429 4.777 4.350 -0.003 0.000 0.283 229 T C -0.265 173.561 174.700 -1.457 0.000 1.000 229 T CA -0.328 61.220 62.100 -0.919 0.000 0.977 229 T CB 1.633 70.233 68.868 -0.446 0.000 0.979 229 T HN 0.236 nan 8.240 nan 0.000 0.446 230 Y N 0.637 120.389 120.300 -0.914 0.000 2.432 230 Y HA 0.285 4.834 4.550 -0.003 0.000 0.252 230 Y C 1.451 176.487 175.900 -1.441 0.000 1.097 230 Y CA -0.533 56.932 58.100 -1.058 0.000 1.250 230 Y CB 0.724 38.789 38.460 -0.658 0.000 1.245 230 Y HN 0.691 nan 8.280 nan 0.000 0.522 231 T N -4.486 109.439 114.554 -1.048 0.000 2.864 231 T HA 0.379 4.727 4.350 -0.003 0.000 0.299 231 T C 0.488 175.049 174.700 -0.232 0.000 1.166 231 T CA -0.390 61.376 62.100 -0.556 0.000 1.007 231 T CB 2.089 70.844 68.868 -0.188 0.000 1.219 231 T HN -0.160 nan 8.240 nan 0.000 0.506 232 T N 0.758 115.403 114.554 0.152 0.000 2.781 232 T HA 0.211 4.559 4.350 -0.003 0.000 0.252 232 T C 2.312 177.060 174.700 0.080 0.000 1.039 232 T CA 1.095 63.319 62.100 0.206 0.000 1.147 232 T CB -0.659 68.362 68.868 0.256 0.000 0.865 232 T HN 0.803 nan 8.240 nan 0.000 0.423 233 A N 1.244 124.103 122.820 0.065 0.000 1.874 233 A HA 0.431 4.749 4.320 -0.003 0.000 0.214 233 A C 2.563 180.152 177.584 0.008 0.000 1.189 233 A CA 1.448 53.505 52.037 0.034 0.000 0.615 233 A CB -1.065 17.955 19.000 0.034 0.000 0.830 233 A HN 0.456 nan 8.150 nan 0.000 0.443 234 A N 0.111 122.928 122.820 -0.004 0.000 1.902 234 A HA 0.140 4.459 4.320 -0.003 0.000 0.217 234 A C 2.468 180.041 177.584 -0.018 0.000 1.181 234 A CA 2.110 54.139 52.037 -0.012 0.000 0.623 234 A CB -0.966 18.026 19.000 -0.014 0.000 0.818 234 A HN 1.018 nan 8.150 nan 0.000 0.443 235 A N -0.145 122.653 122.820 -0.037 0.000 1.933 235 A HA -0.051 4.267 4.320 -0.003 0.000 0.218 235 A C 2.119 179.692 177.584 -0.018 0.000 1.175 235 A CA 1.463 53.477 52.037 -0.038 0.000 0.628 235 A CB -0.554 18.395 19.000 -0.084 0.000 0.814 235 A HN 0.507 nan 8.150 nan 0.000 0.444 236 I N -0.664 119.899 120.570 -0.011 0.000 2.202 236 I HA -0.243 3.926 4.170 -0.003 0.000 0.242 236 I C 2.571 178.687 176.117 -0.001 0.000 1.091 236 I CA 1.764 63.062 61.300 -0.002 0.000 1.368 236 I CB -0.286 37.717 38.000 0.005 0.000 1.058 236 I HN 0.350 nan 8.210 nan 0.000 0.410 237 K N 0.936 121.335 120.400 -0.002 0.000 2.097 237 K HA -0.172 4.146 4.320 -0.003 0.000 0.206 237 K C 1.403 178.001 176.600 -0.002 0.000 1.049 237 K CA 1.520 57.805 56.287 -0.002 0.000 0.933 237 K CB 0.023 32.521 32.500 -0.003 0.000 0.717 237 K HN 0.283 nan 8.250 nan 0.000 0.442 238 N N -0.835 117.864 118.700 -0.003 0.000 2.336 238 N HA 0.052 4.790 4.740 -0.003 0.000 0.189 238 N C 0.533 176.047 175.510 0.006 0.000 1.113 238 N CA 0.965 54.014 53.050 -0.001 0.000 0.858 238 N CB 1.332 39.816 38.487 -0.004 0.000 0.970 238 N HN 0.448 nan 8.380 nan 0.000 0.471 239 G N 0.381 109.186 108.800 0.008 0.000 2.164 239 G HA2 -0.197 3.762 3.960 -0.003 0.000 0.154 239 G HA3 -0.197 3.762 3.960 -0.003 0.000 0.154 239 G C -0.369 174.547 174.900 0.027 0.000 1.014 239 G CA -0.479 44.631 45.100 0.018 0.000 0.683 239 G HN 0.251 nan 8.290 nan 0.000 0.500 240 L N 1.747 122.981 121.223 0.018 0.000 2.385 240 L HA 0.481 4.819 4.340 -0.003 0.000 0.281 240 L C 1.120 178.001 176.870 0.018 0.000 1.106 240 L CA 0.137 54.990 54.840 0.021 0.000 0.856 240 L CB 0.399 42.458 42.059 -0.000 0.000 1.186 240 L HN 0.145 nan 8.230 nan 0.000 0.453 241 D N 4.642 125.063 120.400 0.036 0.000 2.123 241 D HA 0.015 4.654 4.640 -0.003 0.000 0.200 241 D C 0.426 176.739 176.300 0.023 0.000 0.976 241 D CA 1.438 55.456 54.000 0.029 0.000 0.831 241 D CB 0.516 41.340 40.800 0.040 0.000 0.974 241 D HN 0.479 nan 8.370 nan 0.000 0.469 242 I N 0.442 121.037 120.570 0.040 0.000 2.644 242 I HA 0.080 4.248 4.170 -0.003 0.000 0.291 242 I C -1.107 175.008 176.117 -0.003 0.000 1.180 242 I CA -0.716 60.592 61.300 0.013 0.000 1.040 242 I CB 2.636 40.670 38.000 0.057 0.000 1.255 242 I HN -0.276 nan 8.210 nan 0.000 0.422 243 E N 6.947 127.069 120.200 -0.129 0.000 2.229 243 E HA 0.310 4.658 4.350 -0.003 0.000 0.283 243 E C -1.879 174.462 176.600 -0.432 0.000 1.030 243 E CA -0.249 56.039 56.400 -0.187 0.000 0.836 243 E CB 0.880 30.491 29.700 -0.147 0.000 1.068 243 E HN 0.443 nan 8.360 nan 0.000 0.401 244 F N 5.288 124.891 119.950 -0.578 0.000 2.546 244 F HA 0.471 4.996 4.527 -0.003 0.000 0.320 244 F C -2.009 173.085 175.800 -1.177 0.000 1.076 244 F CA -1.958 55.403 58.000 -1.065 0.000 0.928 244 F CB 2.171 40.086 39.000 -1.808 0.000 1.189 244 F HN 0.434 nan 8.300 nan 0.000 0.465 245 P HA 0.305 nan 4.420 nan 0.000 0.284 245 P C -0.542 176.223 177.300 -0.891 0.000 1.287 245 P CA -0.435 61.939 63.100 -1.210 0.000 0.824 245 P CB 0.948 31.799 31.700 -1.414 0.000 1.180 246 G N 0.504 108.844 108.800 -0.766 0.000 2.569 246 G HA2 0.414 4.372 3.960 -0.003 0.000 0.249 246 G HA3 0.414 4.372 3.960 -0.003 0.000 0.249 246 G C -2.423 172.184 174.900 -0.489 0.000 1.216 246 G CA -1.053 43.739 45.100 -0.514 0.000 0.845 246 G HN 0.372 nan 8.290 nan 0.000 0.568 247 P HA 0.189 nan 4.420 nan 0.000 0.279 247 P C 0.326 177.509 177.300 -0.195 0.000 1.239 247 P CA -0.288 62.687 63.100 -0.210 0.000 0.789 247 P CB 1.040 32.665 31.700 -0.125 0.000 0.933 248 T N 1.971 116.415 114.554 -0.184 0.000 2.934 248 T HA 0.024 4.372 4.350 -0.003 0.000 0.306 248 T C 1.344 175.972 174.700 -0.119 0.000 1.042 248 T CA 0.330 62.340 62.100 -0.150 0.000 1.145 248 T CB -0.036 68.758 68.868 -0.123 0.000 0.982 248 T HN 0.324 nan 8.240 nan 0.000 0.544 249 R N 2.433 122.870 120.500 -0.105 0.000 2.123 249 R HA 0.159 4.497 4.340 -0.003 0.000 0.209 249 R C 1.355 177.460 176.300 -0.325 0.000 1.078 249 R CA 0.671 56.620 56.100 -0.252 0.000 1.028 249 R CB 0.202 30.290 30.300 -0.352 0.000 0.939 249 R HN 0.696 nan 8.270 nan 0.000 0.463 250 W N 0.004 121.272 121.300 -0.054 0.000 3.220 250 W HA 0.252 4.911 4.660 -0.002 0.000 0.328 250 W C 0.542 177.035 176.519 -0.042 0.000 1.205 250 W CA -0.238 57.083 57.345 -0.040 0.000 1.773 250 W CB 0.704 30.137 29.460 -0.045 0.000 1.086 250 W HN -0.234 nan 8.180 nan 0.000 0.622 251 R N 0.334 120.895 120.500 0.103 0.000 2.734 251 R HA 0.116 4.454 4.340 -0.003 0.000 0.395 251 R C 0.497 176.796 176.300 -0.002 0.000 1.096 251 R CA -0.042 56.090 56.100 0.053 0.000 1.071 251 R CB 0.177 30.494 30.300 0.028 0.000 1.348 251 R HN -0.111 nan 8.270 nan 0.000 0.600 252 T N -2.512 112.032 114.554 -0.017 0.000 2.802 252 T HA 0.051 4.400 4.350 -0.003 0.000 0.305 252 T C 1.328 176.017 174.700 -0.018 0.000 1.053 252 T CA -0.500 61.578 62.100 -0.037 0.000 1.058 252 T CB 1.833 70.670 68.868 -0.052 0.000 0.988 252 T HN 0.281 nan 8.240 nan 0.000 0.539 253 R N 0.815 121.301 120.500 -0.023 0.000 2.091 253 R HA -0.117 4.222 4.340 -0.003 0.000 0.238 253 R C 2.556 178.858 176.300 0.004 0.000 1.136 253 R CA 1.606 57.700 56.100 -0.011 0.000 0.959 253 R CB -1.095 29.194 30.300 -0.017 0.000 0.856 253 R HN 0.850 nan 8.270 nan 0.000 0.437 254 A N 1.146 123.960 122.820 -0.009 0.000 1.865 254 A HA -0.186 4.133 4.320 -0.003 0.000 0.217 254 A C 2.038 179.646 177.584 0.039 0.000 1.191 254 A CA 1.279 53.310 52.037 -0.010 0.000 0.623 254 A CB -0.663 18.306 19.000 -0.052 0.000 0.826 254 A HN 0.294 nan 8.150 nan 0.000 0.444 255 L N -0.392 120.850 121.223 0.032 0.000 2.012 255 L HA -0.147 4.191 4.340 -0.003 0.000 0.210 255 L C 2.663 179.594 176.870 0.102 0.000 1.073 255 L CA 1.652 56.537 54.840 0.075 0.000 0.748 255 L CB -1.008 41.084 42.059 0.054 0.000 0.891 255 L HN 0.237 nan 8.230 nan 0.000 0.431 256 V N -0.829 119.126 119.914 0.068 0.000 2.323 256 V HA -0.186 3.932 4.120 -0.003 0.000 0.244 256 V C 2.524 178.651 176.094 0.055 0.000 1.041 256 V CA 1.576 63.910 62.300 0.056 0.000 1.025 256 V CB -0.798 31.046 31.823 0.034 0.000 0.656 256 V HN 0.632 nan 8.190 nan 0.000 0.451 257 S N -0.532 115.203 115.700 0.058 0.000 2.406 257 S HA -0.236 4.232 4.470 -0.003 0.000 0.228 257 S C 1.954 176.606 174.600 0.087 0.000 1.020 257 S CA 1.466 59.698 58.200 0.053 0.000 0.965 257 S CB -0.618 62.607 63.200 0.042 0.000 0.798 257 S HN 0.707 nan 8.310 nan 0.000 0.488 258 H N 2.091 121.162 119.070 0.002 0.000 2.321 258 H HA 0.071 4.625 4.556 -0.002 0.000 0.300 258 H C 2.218 177.551 175.328 0.009 0.000 1.087 258 H CA 1.917 57.967 56.048 0.004 0.000 1.319 258 H CB -0.731 29.033 29.762 0.003 0.000 1.379 258 H HN 0.398 nan 8.280 nan 0.000 0.501 259 S N 0.025 115.727 115.700 0.005 0.000 2.365 259 S HA -0.178 4.290 4.470 -0.003 0.000 0.225 259 S C 2.351 176.914 174.600 -0.062 0.000 1.039 259 S CA 1.508 59.678 58.200 -0.050 0.000 1.033 259 S CB -0.411 62.799 63.200 0.016 0.000 0.887 259 S HN 0.352 nan 8.310 nan 0.000 0.447 260 L N 1.482 122.689 121.223 -0.026 0.000 2.017 260 L HA -0.128 4.211 4.340 -0.003 0.000 0.208 260 L C 2.089 178.935 176.870 -0.040 0.000 1.073 260 L CA 1.025 55.851 54.840 -0.024 0.000 0.745 260 L CB -0.639 41.417 42.059 -0.006 0.000 0.894 260 L HN 0.266 nan 8.230 nan 0.000 0.432 261 N N -0.653 118.019 118.700 -0.046 0.000 2.396 261 N HA -0.084 4.654 4.740 -0.003 0.000 0.180 261 N C 1.629 177.087 175.510 -0.087 0.000 1.028 261 N CA 0.960 53.982 53.050 -0.046 0.000 0.893 261 N CB -0.005 38.475 38.487 -0.011 0.000 0.967 261 N HN 0.183 nan 8.380 nan 0.000 0.440 262 S N 0.109 115.712 115.700 -0.161 0.000 2.556 262 S HA 0.204 4.672 4.470 -0.003 0.000 0.216 262 S C 0.258 174.794 174.600 -0.107 0.000 0.970 262 S CA -0.371 57.724 58.200 -0.176 0.000 0.912 262 S CB 0.519 63.524 63.200 -0.325 0.000 0.790 262 S HN 0.237 nan 8.310 nan 0.000 0.504 263 R N 1.198 121.652 120.500 -0.077 0.000 3.422 263 R HA -0.170 4.168 4.340 -0.003 0.000 0.267 263 R C -0.651 175.620 176.300 -0.048 0.000 1.074 263 R CA 0.461 56.531 56.100 -0.050 0.000 0.718 263 R CB -1.509 28.769 30.300 -0.037 0.000 1.157 263 R HN 0.327 nan 8.270 nan 0.000 0.440 264 E N 0.923 121.089 120.200 -0.057 0.000 2.081 264 E HA 0.175 4.523 4.350 -0.003 0.000 0.276 264 E C 0.431 177.020 176.600 -0.019 0.000 0.950 264 E CA -0.128 56.249 56.400 -0.038 0.000 0.776 264 E CB 0.652 30.323 29.700 -0.047 0.000 1.094 264 E HN 0.242 nan 8.360 nan 0.000 0.402 265 Q N 1.491 121.284 119.800 -0.012 0.000 2.858 265 Q HA -0.287 4.051 4.340 -0.003 0.000 0.191 265 Q C 0.370 176.366 176.000 -0.006 0.000 2.796 265 Q CA 2.074 57.873 55.803 -0.005 0.000 0.359 265 Q CB -1.876 26.863 28.738 0.002 0.000 0.330 265 Q HN 0.732 nan 8.270 nan 0.000 0.511 266 I N -1.031 119.535 120.570 -0.006 0.000 2.797 266 I HA 0.794 4.962 4.170 -0.003 0.000 0.307 266 I C 0.135 176.247 176.117 -0.008 0.000 1.033 266 I CA -0.360 60.937 61.300 -0.005 0.000 1.071 266 I CB 2.193 40.194 38.000 0.001 0.000 1.255 266 I HN 0.141 nan 8.210 nan 0.000 0.445 267 T N -1.274 113.276 114.554 -0.007 0.000 2.926 267 T HA 0.357 4.705 4.350 -0.003 0.000 0.289 267 T C 0.972 175.668 174.700 -0.006 0.000 1.054 267 T CA 0.059 62.155 62.100 -0.008 0.000 1.015 267 T CB 1.502 70.366 68.868 -0.008 0.000 1.167 267 T HN 0.827 nan 8.240 nan 0.000 0.526 268 T N -1.849 112.702 114.554 -0.006 0.000 2.962 268 T HA -0.063 4.285 4.350 -0.003 0.000 0.270 268 T C 1.500 176.197 174.700 -0.005 0.000 1.088 268 T CA 1.302 63.398 62.100 -0.005 0.000 1.127 268 T CB -0.479 68.385 68.868 -0.006 0.000 0.883 268 T HN 0.807 nan 8.240 nan 0.000 0.493 269 E N 1.350 121.546 120.200 -0.005 0.000 2.072 269 E HA -0.188 4.160 4.350 -0.003 0.000 0.191 269 E C 1.556 178.153 176.600 -0.005 0.000 0.985 269 E CA 1.288 57.685 56.400 -0.005 0.000 0.801 269 E CB -0.137 29.560 29.700 -0.005 0.000 0.750 269 E HN 0.440 nan 8.360 nan 0.000 0.452 270 D N 0.373 120.771 120.400 -0.004 0.000 2.104 270 D HA -0.165 4.473 4.640 -0.003 0.000 0.194 270 D C 2.117 178.416 176.300 -0.002 0.000 0.994 270 D CA 1.214 55.213 54.000 -0.003 0.000 0.830 270 D CB -0.297 40.502 40.800 -0.002 0.000 0.959 270 D HN 0.136 nan 8.370 nan 0.000 0.452 271 V N 1.772 121.684 119.914 -0.002 0.000 2.261 271 V HA -0.234 3.885 4.120 -0.003 0.000 0.246 271 V C 1.998 178.090 176.094 -0.003 0.000 1.047 271 V CA 1.780 64.079 62.300 -0.002 0.000 1.015 271 V CB -0.471 31.351 31.823 -0.002 0.000 0.642 271 V HN 0.047 nan 8.190 nan 0.000 0.446 272 D N 0.258 120.655 120.400 -0.005 0.000 2.137 272 D HA -0.221 4.418 4.640 -0.003 0.000 0.189 272 D C 1.901 178.198 176.300 -0.005 0.000 0.998 272 D CA 1.849 55.846 54.000 -0.005 0.000 0.839 272 D CB -0.635 40.161 40.800 -0.007 0.000 0.962 272 D HN 0.394 nan 8.370 nan 0.000 0.446 273 D N 0.119 120.515 120.400 -0.006 0.000 2.192 273 D HA -0.195 4.444 4.640 -0.003 0.000 0.189 273 D C 2.166 178.462 176.300 -0.007 0.000 1.007 273 D CA 1.112 55.108 54.000 -0.007 0.000 0.859 273 D CB -0.126 40.670 40.800 -0.005 0.000 0.936 273 D HN 0.119 nan 8.370 nan 0.000 0.447 274 R N 0.330 120.828 120.500 -0.004 0.000 2.070 274 R HA -0.047 4.292 4.340 -0.003 0.000 0.233 274 R C 2.564 178.864 176.300 0.000 0.000 1.137 274 R CA 0.414 56.514 56.100 -0.001 0.000 0.945 274 R CB -1.201 29.099 30.300 0.000 0.000 0.845 274 R HN 0.207 nan 8.270 nan 0.000 0.430 275 V N 1.514 121.429 119.914 0.001 0.000 2.295 275 V HA -0.252 3.866 4.120 -0.003 0.000 0.246 275 V C 2.713 178.815 176.094 0.013 0.000 1.049 275 V CA 1.953 64.257 62.300 0.007 0.000 1.024 275 V CB -0.583 31.242 31.823 0.003 0.000 0.648 275 V HN 0.340 nan 8.190 nan 0.000 0.447 276 R N -0.219 120.284 120.500 0.005 0.000 2.140 276 R HA -0.264 4.075 4.340 -0.003 0.000 0.250 276 R C 2.339 178.639 176.300 0.001 0.000 1.150 276 R CA 2.067 58.170 56.100 0.005 0.000 0.966 276 R CB -0.198 30.098 30.300 -0.006 0.000 0.869 276 R HN 0.492 nan 8.270 nan 0.000 0.445 277 Q N -0.224 119.567 119.800 -0.015 0.000 2.172 277 Q HA -0.070 4.269 4.340 -0.003 0.000 0.200 277 Q C 2.255 178.249 176.000 -0.010 0.000 0.964 277 Q CA 1.205 56.984 55.803 -0.041 0.000 0.855 277 Q CB -0.166 28.537 28.738 -0.059 0.000 0.918 277 Q HN 0.283 nan 8.270 nan 0.000 0.444 278 V N 1.346 121.272 119.914 0.020 0.000 2.343 278 V HA -0.226 3.893 4.120 -0.003 0.000 0.247 278 V C 2.424 178.562 176.094 0.073 0.000 1.051 278 V CA 1.264 63.592 62.300 0.047 0.000 1.036 278 V CB -0.637 31.215 31.823 0.049 0.000 0.654 278 V HN 0.269 nan 8.190 nan 0.000 0.451 279 L N -0.411 120.867 121.223 0.091 0.000 2.079 279 L HA -0.233 4.105 4.340 -0.003 0.000 0.210 279 L C 2.572 179.552 176.870 0.183 0.000 1.081 279 L CA 1.759 56.706 54.840 0.179 0.000 0.752 279 L CB -0.598 41.552 42.059 0.153 0.000 0.896 279 L HN 0.346 nan 8.230 nan 0.000 0.433 280 K N -0.770 119.681 120.400 0.085 0.000 2.155 280 K HA -0.150 4.168 4.320 -0.003 0.000 0.203 280 K C 2.116 178.733 176.600 0.028 0.000 1.052 280 K CA 0.945 57.261 56.287 0.048 0.000 0.948 280 K CB -0.123 32.365 32.500 -0.019 0.000 0.728 280 K HN 0.217 nan 8.250 nan 0.000 0.448 281 M N 1.397 121.007 119.600 0.017 0.000 2.099 281 M HA -0.124 4.354 4.480 -0.003 0.000 0.262 281 M C 1.882 178.206 176.300 0.040 0.000 1.067 281 M CA 1.736 57.051 55.300 0.024 0.000 1.124 281 M CB -0.280 32.338 32.600 0.031 0.000 1.353 281 M HN 0.096 nan 8.290 nan 0.000 0.410 282 I N 0.322 120.891 120.570 -0.001 0.000 2.286 282 I HA -0.318 3.850 4.170 -0.003 0.000 0.248 282 I C 2.482 178.338 176.117 -0.436 0.000 1.115 282 I CA 1.267 62.495 61.300 -0.120 0.000 1.392 282 I CB -0.613 37.377 38.000 -0.016 0.000 1.065 282 I HN 0.369 nan 8.210 nan 0.000 0.418 283 K N 1.118 121.262 120.400 -0.427 0.000 2.063 283 K HA -0.261 4.057 4.320 -0.003 0.000 0.208 283 K C 2.220 178.687 176.600 -0.222 0.000 1.048 283 K CA 1.794 57.782 56.287 -0.497 0.000 0.928 283 K CB -0.265 32.220 32.500 -0.025 0.000 0.713 283 K HN 0.229 nan 8.250 nan 0.000 0.442 284 F N 0.659 120.498 119.950 -0.183 0.000 2.134 284 F HA -0.182 4.343 4.527 -0.003 0.000 0.299 284 F C 1.698 177.428 175.800 -0.116 0.000 1.097 284 F CA 1.152 59.085 58.000 -0.111 0.000 1.264 284 F CB -0.097 38.864 39.000 -0.065 0.000 1.001 284 F HN -0.191 nan 8.300 nan 0.000 0.479 285 V N -0.402 119.527 119.914 0.025 0.000 2.307 285 V HA -0.269 3.849 4.120 -0.003 0.000 0.245 285 V C 2.335 178.330 176.094 -0.166 0.000 1.045 285 V CA 1.648 63.927 62.300 -0.034 0.000 1.024 285 V CB -0.597 31.244 31.823 0.031 0.000 0.651 285 V HN 0.279 nan 8.190 nan 0.000 0.449 286 V N 0.156 119.924 119.914 -0.243 0.000 2.307 286 V HA -0.228 3.891 4.120 -0.003 0.000 0.245 286 V C 2.231 178.223 176.094 -0.170 0.000 1.045 286 V CA 2.141 64.312 62.300 -0.214 0.000 1.024 286 V CB -0.711 30.920 31.823 -0.320 0.000 0.651 286 V HN 0.536 nan 8.190 nan 0.000 0.449 287 D N 0.277 120.554 120.400 -0.205 0.000 2.271 287 D HA -0.139 4.500 4.640 -0.003 0.000 0.207 287 D C 1.728 177.905 176.300 -0.206 0.000 0.983 287 D CA 1.055 54.953 54.000 -0.170 0.000 0.878 287 D CB -0.302 40.395 40.800 -0.173 0.000 0.920 287 D HN 0.439 nan 8.370 nan 0.000 0.479 288 N N -0.251 118.283 118.700 -0.277 0.000 2.236 288 N HA 0.103 4.841 4.740 -0.003 0.000 0.196 288 N C 1.570 176.992 175.510 -0.146 0.000 1.114 288 N CA -0.102 52.792 53.050 -0.258 0.000 0.859 288 N CB 0.726 38.959 38.487 -0.423 0.000 0.982 288 N HN 0.223 nan 8.380 nan 0.000 0.493 289 L N 1.217 122.374 121.223 -0.110 0.000 2.191 289 L HA -0.160 4.178 4.340 -0.003 0.000 0.212 289 L C 2.514 179.359 176.870 -0.042 0.000 1.103 289 L CA 1.248 56.052 54.840 -0.060 0.000 0.769 289 L CB -0.183 41.852 42.059 -0.041 0.000 0.908 289 L HN 0.286 nan 8.230 nan 0.000 0.438 290 E N 0.472 120.643 120.200 -0.048 0.000 2.170 290 E HA -0.232 4.116 4.350 -0.003 0.000 0.191 290 E C 2.122 178.702 176.600 -0.033 0.000 0.981 290 E CA 0.633 57.014 56.400 -0.032 0.000 0.830 290 E CB -0.062 29.621 29.700 -0.028 0.000 0.775 290 E HN 0.347 nan 8.360 nan 0.000 0.470 291 K N 0.966 121.337 120.400 -0.048 0.000 2.001 291 K HA -0.135 4.183 4.320 -0.003 0.000 0.208 291 K C 2.341 178.924 176.600 -0.029 0.000 1.048 291 K CA 2.220 58.482 56.287 -0.042 0.000 0.932 291 K CB -0.243 32.221 32.500 -0.060 0.000 0.715 291 K HN 0.294 nan 8.250 nan 0.000 0.437 292 T N -3.161 111.372 114.554 -0.034 0.000 3.014 292 T HA 0.110 4.458 4.350 -0.003 0.000 0.263 292 T C 1.371 176.068 174.700 -0.004 0.000 1.078 292 T CA 0.644 62.735 62.100 -0.015 0.000 1.135 292 T CB -0.302 68.558 68.868 -0.014 0.000 0.895 292 T HN 0.428 nan 8.240 nan 0.000 0.480 293 G N 1.507 110.301 108.800 -0.009 0.000 2.249 293 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.273 293 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.273 293 G C -0.043 174.861 174.900 0.007 0.000 1.036 293 G CA 0.151 45.251 45.100 -0.001 0.000 0.824 293 G HN 0.656 nan 8.290 nan 0.000 0.504 294 I N -0.422 120.152 120.570 0.008 0.000 2.754 294 I HA 0.337 4.505 4.170 -0.003 0.000 0.285 294 I C 0.808 176.941 176.117 0.025 0.000 1.166 294 I CA 0.080 61.393 61.300 0.022 0.000 1.417 294 I CB 1.408 39.425 38.000 0.029 0.000 1.382 294 I HN -0.026 nan 8.210 nan 0.000 0.588 295 V N 5.688 125.623 119.914 0.035 0.000 2.444 295 V HA 0.212 4.330 4.120 -0.003 0.000 0.294 295 V C 0.060 176.185 176.094 0.051 0.000 1.022 295 V CA -0.919 61.403 62.300 0.036 0.000 0.850 295 V CB 1.393 33.234 31.823 0.029 0.000 0.992 295 V HN 0.734 nan 8.190 nan 0.000 0.426 296 E N 4.610 124.839 120.200 0.049 0.000 2.417 296 E HA -0.026 4.322 4.350 -0.003 0.000 0.261 296 E C 0.704 177.333 176.600 0.049 0.000 1.000 296 E CA 0.268 56.705 56.400 0.062 0.000 0.919 296 E CB 0.051 29.780 29.700 0.049 0.000 0.955 296 E HN 0.720 nan 8.360 nan 0.000 0.455 297 N N 2.264 121.005 118.700 0.067 0.000 2.721 297 N HA -0.163 4.575 4.740 -0.003 0.000 0.249 297 N C -0.376 175.159 175.510 0.042 0.000 1.072 297 N CA 0.920 53.983 53.050 0.023 0.000 0.710 297 N CB -0.921 37.524 38.487 -0.071 0.000 0.993 297 N HN 0.612 nan 8.380 nan 0.000 0.547 298 G N -0.291 108.549 108.800 0.065 0.000 2.634 298 G HA2 0.439 4.397 3.960 -0.003 0.000 0.255 298 G HA3 0.439 4.397 3.960 -0.003 0.000 0.255 298 G C -2.033 172.896 174.900 0.049 0.000 1.205 298 G CA -0.627 44.501 45.100 0.048 0.000 0.884 298 G HN 0.263 nan 8.290 nan 0.000 0.549 299 P HA 0.272 nan 4.420 nan 0.000 0.277 299 P C -0.824 176.496 177.300 0.033 0.000 1.271 299 P CA -0.389 62.730 63.100 0.033 0.000 0.795 299 P CB 1.299 33.014 31.700 0.025 0.000 1.101 300 E N -0.183 120.034 120.200 0.028 0.000 2.155 300 E HA 0.348 4.697 4.350 -0.003 0.000 0.264 300 E C -0.170 176.446 176.600 0.027 0.000 0.886 300 E CA -0.533 55.880 56.400 0.021 0.000 0.752 300 E CB 1.248 30.952 29.700 0.007 0.000 1.133 300 E HN 0.410 nan 8.360 nan 0.000 0.414 301 S N 0.916 116.637 115.700 0.034 0.000 2.767 301 S HA 0.383 4.851 4.470 -0.003 0.000 0.300 301 S C 0.729 175.374 174.600 0.074 0.000 1.123 301 S CA -0.590 57.636 58.200 0.043 0.000 0.992 301 S CB 1.469 64.689 63.200 0.034 0.000 1.138 301 S HN 0.458 nan 8.310 nan 0.000 0.550 302 T N -2.133 112.470 114.554 0.081 0.000 3.248 302 T HA 0.222 4.570 4.350 -0.003 0.000 0.271 302 T C 1.501 176.211 174.700 0.016 0.000 1.005 302 T CA 0.173 62.350 62.100 0.130 0.000 0.902 302 T CB -0.617 68.322 68.868 0.119 0.000 1.102 302 T HN 0.747 nan 8.240 nan 0.000 0.548 303 S N 2.098 117.813 115.700 0.025 0.000 2.402 303 S HA -0.242 4.227 4.470 -0.003 0.000 0.233 303 S C 1.774 176.361 174.600 -0.021 0.000 1.030 303 S CA 1.613 59.812 58.200 -0.002 0.000 1.003 303 S CB -0.861 62.347 63.200 0.014 0.000 0.813 303 S HN 0.552 nan 8.310 nan 0.000 0.477 304 N N 1.969 120.679 118.700 0.017 0.000 2.521 304 N HA 0.058 4.797 4.740 -0.003 0.000 0.188 304 N C 0.167 175.631 175.510 -0.077 0.000 1.146 304 N CA 0.056 53.120 53.050 0.024 0.000 0.893 304 N CB -0.618 37.936 38.487 0.111 0.000 0.975 304 N HN 0.397 nan 8.380 nan 0.000 0.451 305 N N 0.799 119.297 118.700 -0.336 0.000 2.744 305 N HA -0.034 4.705 4.740 -0.003 0.000 0.290 305 N C -0.987 174.358 175.510 -0.276 0.000 1.206 305 N CA 0.134 52.767 53.050 -0.694 0.000 1.119 305 N CB -0.534 37.293 38.487 -1.101 0.000 1.449 305 N HN 0.229 nan 8.380 nan 0.000 0.514 306 T N -1.796 112.679 114.554 -0.131 0.000 2.940 306 T HA 0.293 4.642 4.350 -0.003 0.000 0.288 306 T C 1.086 175.777 174.700 -0.015 0.000 1.045 306 T CA -0.889 61.176 62.100 -0.058 0.000 1.018 306 T CB 1.952 70.802 68.868 -0.031 0.000 1.151 306 T HN 0.154 nan 8.240 nan 0.000 0.529 307 K N 0.239 120.633 120.400 -0.010 0.000 2.097 307 K HA -0.166 4.153 4.320 -0.003 0.000 0.206 307 K C 1.979 178.589 176.600 0.016 0.000 1.049 307 K CA 1.683 57.974 56.287 0.006 0.000 0.933 307 K CB -0.153 32.343 32.500 -0.006 0.000 0.717 307 K HN 0.863 nan 8.250 nan 0.000 0.442 308 E N -0.196 120.009 120.200 0.009 0.000 2.110 308 E HA -0.147 4.202 4.350 -0.003 0.000 0.193 308 E C 1.422 178.033 176.600 0.019 0.000 0.988 308 E CA 1.538 57.946 56.400 0.013 0.000 0.804 308 E CB 0.028 29.734 29.700 0.010 0.000 0.745 308 E HN 0.200 nan 8.360 nan 0.000 0.458 309 T N 0.092 114.659 114.554 0.022 0.000 2.737 309 T HA -0.099 4.249 4.350 -0.003 0.000 0.265 309 T C 2.066 176.779 174.700 0.021 0.000 1.038 309 T CA 1.230 63.345 62.100 0.025 0.000 1.144 309 T CB -0.269 68.626 68.868 0.046 0.000 0.866 309 T HN 0.089 nan 8.240 nan 0.000 0.434 310 S N 1.020 116.755 115.700 0.059 0.000 2.374 310 S HA -0.166 4.302 4.470 -0.003 0.000 0.227 310 S C 1.840 176.476 174.600 0.060 0.000 1.037 310 S CA 1.295 59.556 58.200 0.102 0.000 1.024 310 S CB -0.463 62.822 63.200 0.141 0.000 0.861 310 S HN 0.470 nan 8.310 nan 0.000 0.456 311 D N 0.731 121.154 120.400 0.039 0.000 2.149 311 D HA -0.022 4.616 4.640 -0.003 0.000 0.201 311 D C 1.916 178.229 176.300 0.022 0.000 0.972 311 D CA 0.416 54.435 54.000 0.031 0.000 0.835 311 D CB -0.362 40.452 40.800 0.024 0.000 0.966 311 D HN 0.198 nan 8.370 nan 0.000 0.476 312 L N 0.965 122.195 121.223 0.011 0.000 2.012 312 L HA -0.110 4.228 4.340 -0.003 0.000 0.210 312 L C 2.355 179.208 176.870 -0.027 0.000 1.073 312 L CA 1.330 56.172 54.840 0.003 0.000 0.748 312 L CB -1.071 40.990 42.059 0.005 0.000 0.891 312 L HN 0.069 nan 8.230 nan 0.000 0.431 313 L N -1.219 119.953 121.223 -0.085 0.000 2.141 313 L HA -0.194 4.144 4.340 -0.003 0.000 0.209 313 L C 2.666 179.518 176.870 -0.031 0.000 1.094 313 L CA 0.966 55.719 54.840 -0.146 0.000 0.763 313 L CB -0.465 41.447 42.059 -0.245 0.000 0.908 313 L HN 0.275 nan 8.230 nan 0.000 0.437 314 R N 0.697 121.206 120.500 0.015 0.000 2.073 314 R HA -0.192 4.147 4.340 -0.003 0.000 0.234 314 R C 2.418 178.749 176.300 0.051 0.000 1.134 314 R CA 1.518 57.647 56.100 0.049 0.000 0.952 314 R CB -0.081 30.255 30.300 0.059 0.000 0.850 314 R HN 0.149 nan 8.270 nan 0.000 0.433 315 K N 0.497 120.923 120.400 0.043 0.000 1.991 315 K HA -0.156 4.162 4.320 -0.003 0.000 0.212 315 K C 2.112 178.749 176.600 0.060 0.000 1.049 315 K CA 2.004 58.320 56.287 0.050 0.000 0.932 315 K CB -0.230 32.295 32.500 0.042 0.000 0.717 315 K HN 0.222 nan 8.250 nan 0.000 0.441 316 I N 0.988 121.594 120.570 0.060 0.000 2.194 316 I HA -0.304 3.864 4.170 -0.003 0.000 0.246 316 I C 2.453 178.627 176.117 0.094 0.000 1.093 316 I CA 1.349 62.699 61.300 0.083 0.000 1.355 316 I CB -0.326 37.740 38.000 0.110 0.000 1.046 316 I HN 0.270 nan 8.210 nan 0.000 0.413 317 A N 0.421 123.292 122.820 0.085 0.000 1.930 317 A HA -0.084 4.234 4.320 -0.003 0.000 0.217 317 A C 2.484 180.138 177.584 0.118 0.000 1.175 317 A CA 1.724 53.828 52.037 0.112 0.000 0.627 317 A CB -0.639 18.423 19.000 0.103 0.000 0.815 317 A HN 0.442 nan 8.150 nan 0.000 0.443 318 A N -0.191 122.684 122.820 0.093 0.000 1.930 318 A HA -0.032 4.286 4.320 -0.003 0.000 0.215 318 A C 1.599 179.229 177.584 0.077 0.000 1.176 318 A CA 1.557 53.644 52.037 0.083 0.000 0.632 318 A CB -0.420 18.623 19.000 0.072 0.000 0.819 318 A HN 0.386 nan 8.150 nan 0.000 0.445 319 D N -0.252 120.194 120.400 0.078 0.000 2.310 319 D HA -0.014 4.624 4.640 -0.003 0.000 0.212 319 D C 1.920 178.278 176.300 0.097 0.000 0.965 319 D CA 1.050 55.094 54.000 0.073 0.000 0.879 319 D CB -0.036 40.806 40.800 0.070 0.000 0.921 319 D HN 0.330 nan 8.370 nan 0.000 0.510 320 S N -0.212 115.566 115.700 0.132 0.000 2.436 320 S HA 0.074 4.542 4.470 -0.003 0.000 0.228 320 S C 1.055 175.870 174.600 0.359 0.000 1.014 320 S CA -0.050 58.258 58.200 0.181 0.000 0.950 320 S CB 0.226 63.529 63.200 0.172 0.000 0.784 320 S HN 0.236 nan 8.310 nan 0.000 0.504 321 I N 2.310 123.035 120.570 0.258 0.000 2.752 321 I HA 0.042 4.210 4.170 -0.003 0.000 0.287 321 I C -0.468 175.713 176.117 0.106 0.000 1.188 321 I CA -0.016 61.392 61.300 0.180 0.000 1.427 321 I CB 0.512 38.548 38.000 0.059 0.000 1.365 321 I HN -0.081 nan 8.210 nan 0.000 0.585 322 V N 6.779 126.688 119.914 -0.009 0.000 2.540 322 V HA 0.297 4.415 4.120 -0.003 0.000 0.302 322 V C -0.300 175.649 176.094 -0.241 0.000 1.035 322 V CA -0.748 61.492 62.300 -0.101 0.000 0.873 322 V CB 1.828 33.618 31.823 -0.054 0.000 0.992 322 V HN 0.406 nan 8.190 nan 0.000 0.428 323 L N 5.254 126.325 121.223 -0.253 0.000 2.265 323 L HA 0.491 4.829 4.340 -0.003 0.000 0.288 323 L C 0.380 177.069 176.870 -0.301 0.000 1.058 323 L CA 0.486 55.160 54.840 -0.276 0.000 0.809 323 L CB 0.886 42.776 42.059 -0.282 0.000 1.179 323 L HN 0.628 nan 8.230 nan 0.000 0.429 324 L N 3.454 124.452 121.223 -0.375 0.000 2.425 324 L HA 0.327 4.665 4.340 -0.003 0.000 0.215 324 L C 0.530 177.273 176.870 -0.213 0.000 1.065 324 L CA 0.227 54.749 54.840 -0.529 0.000 0.842 324 L CB -0.104 41.257 42.059 -1.164 0.000 1.033 324 L HN 0.554 nan 8.230 nan 0.000 0.474 325 K N 0.139 120.458 120.400 -0.135 0.000 2.527 325 K HA 0.369 4.688 4.320 -0.003 0.000 0.260 325 K C -1.197 175.389 176.600 -0.023 0.000 0.937 325 K CA -0.625 55.662 56.287 -0.000 0.000 0.826 325 K CB 2.242 34.770 32.500 0.046 0.000 1.359 325 K HN -0.270 nan 8.250 nan 0.000 0.434 326 N N 2.028 120.735 118.700 0.012 0.000 2.884 326 N HA 0.056 4.794 4.740 -0.003 0.000 0.211 326 N C -1.736 173.784 175.510 0.016 0.000 1.442 326 N CA -0.303 52.754 53.050 0.011 0.000 0.757 326 N CB 0.582 39.091 38.487 0.038 0.000 1.461 326 N HN 0.392 nan 8.380 nan 0.000 0.557 327 K N 1.353 121.761 120.400 0.013 0.000 2.298 327 K HA 0.254 4.573 4.320 -0.003 0.000 0.280 327 K C 0.019 176.618 176.600 -0.001 0.000 1.032 327 K CA -0.453 55.842 56.287 0.013 0.000 0.958 327 K CB 0.435 32.946 32.500 0.018 0.000 0.978 327 K HN 0.357 nan 8.250 nan 0.000 0.472 328 N N 2.246 120.946 118.700 -0.001 0.000 2.738 328 N HA -0.193 4.546 4.740 -0.003 0.000 0.249 328 N C -1.010 174.489 175.510 -0.019 0.000 1.047 328 N CA 0.753 53.798 53.050 -0.008 0.000 0.707 328 N CB -1.783 36.699 38.487 -0.008 0.000 0.937 328 N HN 0.804 nan 8.380 nan 0.000 0.545 329 N N -0.890 117.797 118.700 -0.022 0.000 2.685 329 N HA -0.242 4.497 4.740 -0.003 0.000 0.251 329 N C 1.231 176.702 175.510 -0.064 0.000 1.020 329 N CA 1.060 54.083 53.050 -0.045 0.000 0.762 329 N CB -1.127 37.335 38.487 -0.041 0.000 0.958 329 N HN 0.634 nan 8.380 nan 0.000 0.539 330 I N -0.799 119.738 120.570 -0.055 0.000 2.208 330 I HA -0.229 3.940 4.170 -0.003 0.000 0.245 330 I C 1.065 177.118 176.117 -0.107 0.000 1.097 330 I CA 1.300 62.559 61.300 -0.069 0.000 1.363 330 I CB -0.035 37.930 38.000 -0.059 0.000 1.051 330 I HN 0.227 nan 8.210 nan 0.000 0.413 331 L N 1.214 122.371 121.223 -0.109 0.000 2.331 331 L HA 0.398 4.737 4.340 -0.003 0.000 0.275 331 L C -2.299 174.310 176.870 -0.434 0.000 1.022 331 L CA -2.090 52.645 54.840 -0.175 0.000 0.812 331 L CB 1.146 43.215 42.059 0.017 0.000 1.257 331 L HN -0.196 nan 8.230 nan 0.000 0.435 332 P HA 0.061 nan 4.420 nan 0.000 0.271 332 P C -0.684 176.456 177.300 -0.266 0.000 1.218 332 P CA -0.580 62.223 63.100 -0.496 0.000 0.780 332 P CB 0.741 32.126 31.700 -0.525 0.000 0.901 333 L N 2.940 123.977 121.223 -0.310 0.000 2.506 333 L HA 0.057 4.395 4.340 -0.003 0.000 0.281 333 L C 1.351 178.215 176.870 -0.011 0.000 1.228 333 L CA 0.807 55.472 54.840 -0.291 0.000 0.850 333 L CB -0.637 40.976 42.059 -0.743 0.000 1.110 333 L HN 0.505 nan 8.230 nan 0.000 0.496 334 K N 1.514 121.987 120.400 0.122 0.000 2.267 334 K HA 0.412 4.730 4.320 -0.003 0.000 0.246 334 K C 0.222 176.982 176.600 0.268 0.000 0.954 334 K CA -0.867 55.551 56.287 0.219 0.000 0.824 334 K CB 1.385 33.943 32.500 0.097 0.000 1.167 334 K HN 0.211 nan 8.250 nan 0.000 0.431 335 K N 1.133 121.643 120.400 0.183 0.000 2.280 335 K HA -0.136 4.183 4.320 -0.003 0.000 0.202 335 K C 1.117 177.757 176.600 0.066 0.000 1.047 335 K CA 1.406 57.737 56.287 0.073 0.000 0.942 335 K CB -0.109 32.349 32.500 -0.071 0.000 0.739 335 K HN 0.585 nan 8.250 nan 0.000 0.457 336 E N 1.240 121.476 120.200 0.061 0.000 2.209 336 E HA -0.105 4.243 4.350 -0.003 0.000 0.196 336 E C -0.133 176.499 176.600 0.054 0.000 0.993 336 E CA 0.839 57.265 56.400 0.043 0.000 0.819 336 E CB -0.180 29.538 29.700 0.031 0.000 0.745 336 E HN 0.287 nan 8.360 nan 0.000 0.477 337 D N 1.383 121.831 120.400 0.080 0.000 2.417 337 D HA -0.024 4.614 4.640 -0.003 0.000 0.250 337 D C -0.153 176.199 176.300 0.087 0.000 1.166 337 D CA 0.074 54.119 54.000 0.074 0.000 0.881 337 D CB 0.441 41.284 40.800 0.073 0.000 1.164 337 D HN -0.006 nan 8.370 nan 0.000 0.467 338 N N 2.364 121.110 118.700 0.077 0.000 2.420 338 N HA 0.206 4.944 4.740 -0.003 0.000 0.262 338 N C -0.644 174.963 175.510 0.162 0.000 1.144 338 N CA -0.169 52.946 53.050 0.107 0.000 0.952 338 N CB 0.206 38.736 38.487 0.071 0.000 1.081 338 N HN 0.383 nan 8.380 nan 0.000 0.480 339 I N 0.687 121.369 120.570 0.187 0.000 2.689 339 I HA 0.616 4.784 4.170 -0.003 0.000 0.299 339 I C -0.906 175.241 176.117 0.050 0.000 1.059 339 I CA -1.218 60.159 61.300 0.128 0.000 1.055 339 I CB 1.833 39.885 38.000 0.088 0.000 1.243 339 I HN 0.394 nan 8.210 nan 0.000 0.425 340 I N 5.181 125.596 120.570 -0.258 0.000 2.603 340 I HA 0.643 4.811 4.170 -0.003 0.000 0.300 340 I C -1.079 174.968 176.117 -0.117 0.000 1.017 340 I CA -0.849 60.241 61.300 -0.349 0.000 1.098 340 I CB 1.941 39.443 38.000 -0.830 0.000 1.279 340 I HN 0.500 nan 8.210 nan 0.000 0.437 341 V N 7.731 127.663 119.914 0.031 0.000 2.547 341 V HA 0.562 4.680 4.120 -0.003 0.000 0.299 341 V C -0.054 176.087 176.094 0.080 0.000 1.040 341 V CA -0.392 61.982 62.300 0.124 0.000 0.913 341 V CB 1.503 33.521 31.823 0.324 0.000 0.992 341 V HN 0.545 nan 8.190 nan 0.000 0.449 342 I N 2.274 122.861 120.570 0.029 0.000 2.913 342 I HA 0.881 5.049 4.170 -0.003 0.000 0.302 342 I C 0.142 176.258 176.117 -0.002 0.000 1.246 342 I CA -0.483 60.771 61.300 -0.077 0.000 1.010 342 I CB 2.486 40.400 38.000 -0.144 0.000 1.259 342 I HN 0.912 nan 8.210 nan 0.000 0.434 343 G N 4.054 112.838 108.800 -0.026 0.000 2.484 343 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.685 343 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.685 343 G C -2.781 172.175 174.900 0.093 0.000 1.294 343 G CA -0.707 44.400 45.100 0.011 0.000 0.879 343 G HN 0.405 nan 8.290 nan 0.000 0.646 344 P HA -0.064 nan 4.420 nan 0.000 0.222 344 P C 1.032 178.453 177.300 0.202 0.000 1.147 344 P CA 1.141 64.341 63.100 0.166 0.000 0.790 344 P CB 0.181 31.979 31.700 0.163 0.000 0.780 345 N N -0.782 118.025 118.700 0.178 0.000 2.325 345 N HA 0.144 4.883 4.740 -0.003 0.000 0.182 345 N C 1.709 177.325 175.510 0.177 0.000 1.088 345 N CA 0.525 53.686 53.050 0.184 0.000 0.879 345 N CB -0.525 38.072 38.487 0.185 0.000 0.983 345 N HN -0.039 nan 8.380 nan 0.000 0.471 346 A N 1.114 124.048 122.820 0.189 0.000 1.859 346 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 346 A C 1.683 179.365 177.584 0.163 0.000 1.198 346 A CA 1.562 53.725 52.037 0.211 0.000 0.629 346 A CB -0.246 18.941 19.000 0.313 0.000 0.830 346 A HN 0.213 nan 8.150 nan 0.000 0.446 347 K N -0.614 119.835 120.400 0.083 0.000 2.410 347 K HA 0.425 4.743 4.320 -0.003 0.000 0.200 347 K C 0.244 176.885 176.600 0.069 0.000 1.023 347 K CA 0.141 56.424 56.287 -0.006 0.000 1.149 347 K CB 0.255 32.611 32.500 -0.239 0.000 0.859 347 K HN 0.474 nan 8.250 nan 0.000 0.514 348 A N 1.450 124.341 122.820 0.118 0.000 2.322 348 A HA 0.259 4.577 4.320 -0.003 0.000 0.269 348 A C -0.275 177.379 177.584 0.115 0.000 1.094 348 A CA -0.280 51.830 52.037 0.121 0.000 0.807 348 A CB 0.375 19.466 19.000 0.151 0.000 1.047 348 A HN 0.167 nan 8.150 nan 0.000 0.487 349 K N 1.595 122.050 120.400 0.093 0.000 2.724 349 K HA 0.179 4.497 4.320 -0.003 0.000 0.198 349 K C -0.113 176.525 176.600 0.063 0.000 1.099 349 K CA 0.026 56.365 56.287 0.088 0.000 1.025 349 K CB 0.541 33.086 32.500 0.076 0.000 1.509 349 K HN 0.747 nan 8.250 nan 0.000 0.564 350 T N -1.458 113.151 114.554 0.092 0.000 3.842 350 T HA 0.014 4.362 4.350 -0.003 0.000 0.267 350 T C 1.194 175.935 174.700 0.067 0.000 1.173 350 T CA -0.421 61.703 62.100 0.041 0.000 1.142 350 T CB 0.165 69.108 68.868 0.125 0.000 1.191 350 T HN 0.254 nan 8.240 nan 0.000 0.895 351 S N 2.035 117.736 115.700 0.002 0.000 2.436 351 S HA 0.146 4.615 4.470 -0.003 0.000 0.228 351 S C 1.039 175.661 174.600 0.037 0.000 1.014 351 S CA 0.102 58.330 58.200 0.046 0.000 0.950 351 S CB -0.309 62.896 63.200 0.008 0.000 0.784 351 S HN 1.007 nan 8.310 nan 0.000 0.504 352 S N -0.619 114.988 115.700 -0.154 0.000 2.671 352 S HA 0.749 5.218 4.470 -0.003 0.000 0.277 352 S C 0.018 174.242 174.600 -0.628 0.000 1.165 352 S CA -0.576 57.517 58.200 -0.177 0.000 0.822 352 S CB 0.806 63.974 63.200 -0.054 0.000 1.150 352 S HN 0.511 nan 8.310 nan 0.000 0.479 353 G N -0.437 107.939 108.800 -0.706 0.000 2.599 353 G HA2 0.518 4.476 3.960 -0.003 0.000 0.264 353 G HA3 0.518 4.476 3.960 -0.003 0.000 0.264 353 G C 0.458 174.952 174.900 -0.676 0.000 1.200 353 G CA -0.330 43.862 45.100 -1.513 0.000 0.896 353 G HN 1.090 nan 8.290 nan 0.000 0.536 354 G N -1.535 106.948 108.800 -0.528 0.000 2.527 354 G HA2 0.610 4.568 3.960 -0.003 0.000 0.248 354 G HA3 0.610 4.568 3.960 -0.003 0.000 0.248 354 G C 0.672 175.561 174.900 -0.019 0.000 1.231 354 G CA 0.812 45.764 45.100 -0.247 0.000 0.838 354 G HN 1.915 nan 8.290 nan 0.000 0.570 355 G N 0.319 109.097 108.800 -0.037 0.000 2.418 355 G HA2 0.045 4.004 3.960 -0.003 0.000 0.206 355 G HA3 0.045 4.004 3.960 -0.003 0.000 0.206 355 G C 1.422 176.569 174.900 0.411 0.000 1.202 355 G CA 0.666 45.852 45.100 0.144 0.000 1.061 355 G HN 1.871 nan 8.290 nan 0.000 0.563 356 S N 0.282 116.284 115.700 0.503 0.000 2.515 356 S HA 0.331 4.800 4.470 -0.003 0.000 0.231 356 S C 2.360 177.099 174.600 0.231 0.000 0.987 356 S CA 1.683 60.147 58.200 0.439 0.000 0.936 356 S CB -0.096 63.296 63.200 0.321 0.000 0.766 356 S HN 2.102 nan 8.310 nan 0.000 0.528 357 A N 1.692 124.654 122.820 0.235 0.000 2.119 357 A HA 0.287 4.605 4.320 -0.003 0.000 0.216 357 A C 1.563 179.224 177.584 0.129 0.000 1.152 357 A CA 0.573 52.710 52.037 0.168 0.000 0.708 357 A CB -0.645 18.519 19.000 0.272 0.000 0.805 357 A HN 0.731 nan 8.150 nan 0.000 0.460 358 S N -0.403 115.388 115.700 0.150 0.000 2.634 358 S HA 0.696 5.165 4.470 -0.003 0.000 0.261 358 S C 0.046 174.672 174.600 0.044 0.000 1.271 358 S CA 0.171 58.425 58.200 0.091 0.000 0.985 358 S CB 0.728 63.977 63.200 0.083 0.000 0.968 358 S HN 0.888 nan 8.310 nan 0.000 0.568 359 M N -0.776 118.832 119.600 0.013 0.000 3.472 359 M HA 0.523 5.001 4.480 -0.003 0.000 0.293 359 M C -1.952 174.331 176.300 -0.027 0.000 1.316 359 M CA -0.916 54.352 55.300 -0.054 0.000 0.857 359 M CB 1.129 33.659 32.600 -0.117 0.000 1.708 359 M HN 0.561 nan 8.290 nan 0.000 0.505 360 N N 0.812 119.477 118.700 -0.059 0.000 2.434 360 N HA 0.503 5.241 4.740 -0.003 0.000 0.272 360 N C -1.691 173.741 175.510 -0.129 0.000 1.040 360 N CA 0.126 53.147 53.050 -0.048 0.000 0.956 360 N CB 1.471 39.946 38.487 -0.019 0.000 1.108 360 N HN 0.647 nan 8.380 nan 0.000 0.481 361 S N 2.776 118.404 115.700 -0.121 0.000 2.541 361 S HA 0.212 4.680 4.470 -0.003 0.000 0.283 361 S C 0.609 175.119 174.600 -0.150 0.000 1.196 361 S CA -0.523 57.536 58.200 -0.235 0.000 1.062 361 S CB 0.433 63.513 63.200 -0.199 0.000 1.009 361 S HN 0.485 nan 8.310 nan 0.000 0.502 362 Y N 1.731 121.950 120.300 -0.135 0.000 2.062 362 Y HA -0.175 4.373 4.550 -0.003 0.000 0.276 362 Y C 0.834 176.762 175.900 0.046 0.000 1.189 362 Y CA 1.144 59.206 58.100 -0.062 0.000 1.130 362 Y CB -0.900 37.497 38.460 -0.104 0.000 0.959 362 Y HN 0.799 nan 8.280 nan 0.000 0.499 363 Y N -5.721 114.675 120.300 0.161 0.000 2.662 363 Y HA 0.613 5.161 4.550 -0.003 0.000 0.334 363 Y C -1.725 174.216 175.900 0.069 0.000 1.185 363 Y CA -2.546 55.613 58.100 0.098 0.000 1.074 363 Y CB 0.816 39.333 38.460 0.095 0.000 1.330 363 Y HN -0.349 nan 8.280 nan 0.000 0.458 364 V N 2.191 122.217 119.914 0.186 0.000 2.487 364 V HA 0.478 4.596 4.120 -0.003 0.000 0.298 364 V C -0.484 175.756 176.094 0.245 0.000 1.028 364 V CA -1.037 61.353 62.300 0.151 0.000 0.860 364 V CB 1.531 33.397 31.823 0.072 0.000 0.991 364 V HN 0.719 nan 8.190 nan 0.000 0.427 365 V N 4.613 124.690 119.914 0.272 0.000 2.439 365 V HA 0.200 4.318 4.120 -0.003 0.000 0.271 365 V C 1.036 177.220 176.094 0.151 0.000 1.040 365 V CA 0.086 62.502 62.300 0.195 0.000 1.002 365 V CB 1.158 33.083 31.823 0.171 0.000 1.000 365 V HN 1.092 nan 8.190 nan 0.000 0.477 366 S N 6.817 122.601 115.700 0.139 0.000 2.576 366 S HA 0.190 4.659 4.470 -0.003 0.000 0.272 366 S C -1.471 173.214 174.600 0.143 0.000 1.352 366 S CA -0.622 57.663 58.200 0.142 0.000 1.021 366 S CB 0.939 64.227 63.200 0.148 0.000 0.887 366 S HN 0.529 nan 8.310 nan 0.000 0.542 367 P HA -0.056 nan 4.420 nan 0.000 0.216 367 P C 1.271 178.655 177.300 0.140 0.000 1.153 367 P CA 0.983 64.167 63.100 0.140 0.000 0.844 367 P CB -0.246 31.540 31.700 0.143 0.000 0.787 368 Y N 1.823 122.154 120.300 0.053 0.000 2.040 368 Y HA -0.293 4.255 4.550 -0.003 0.000 0.275 368 Y C 2.163 178.078 175.900 0.024 0.000 1.171 368 Y CA 1.946 60.063 58.100 0.028 0.000 1.123 368 Y CB -1.002 37.428 38.460 -0.049 0.000 0.963 368 Y HN -0.017 nan 8.280 nan 0.000 0.493 369 E N -0.698 119.516 120.200 0.024 0.000 2.130 369 E HA -0.231 4.117 4.350 -0.003 0.000 0.196 369 E C 2.347 178.897 176.600 -0.083 0.000 0.998 369 E CA 0.991 57.358 56.400 -0.055 0.000 0.806 369 E CB -0.606 29.130 29.700 0.060 0.000 0.738 369 E HN 0.693 nan 8.360 nan 0.000 0.459 370 G N 0.720 109.510 108.800 -0.016 0.000 2.443 370 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.219 370 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.219 370 G C 1.536 176.421 174.900 -0.024 0.000 1.131 370 G CA 0.338 45.441 45.100 0.005 0.000 0.775 370 G HN 0.122 nan 8.290 nan 0.000 0.547 371 I N -0.008 120.523 120.570 -0.065 0.000 2.235 371 I HA -0.090 4.078 4.170 -0.003 0.000 0.241 371 I C 2.739 178.766 176.117 -0.149 0.000 1.085 371 I CA 0.213 61.487 61.300 -0.044 0.000 1.378 371 I CB -0.274 37.719 38.000 -0.012 0.000 1.076 371 I HN -0.007 nan 8.210 nan 0.000 0.415 372 V N 1.656 121.402 119.914 -0.279 0.000 2.233 372 V HA -0.384 3.735 4.120 -0.003 0.000 0.252 372 V C 1.949 177.950 176.094 -0.154 0.000 1.063 372 V CA 2.348 64.500 62.300 -0.246 0.000 1.032 372 V CB -0.979 30.649 31.823 -0.325 0.000 0.645 372 V HN 0.496 nan 8.190 nan 0.000 0.446 373 N N -0.425 118.200 118.700 -0.126 0.000 2.588 373 N HA -0.150 4.588 4.740 -0.003 0.000 0.190 373 N C 1.609 177.060 175.510 -0.097 0.000 1.094 373 N CA 1.092 54.088 53.050 -0.090 0.000 0.921 373 N CB -0.243 38.207 38.487 -0.062 0.000 0.959 373 N HN 0.479 nan 8.380 nan 0.000 0.448 374 K N -0.014 120.305 120.400 -0.135 0.000 2.387 374 K HA 0.297 4.615 4.320 -0.003 0.000 0.197 374 K C 1.460 177.905 176.600 -0.258 0.000 1.127 374 K CA 0.301 56.471 56.287 -0.194 0.000 0.950 374 K CB 0.359 32.716 32.500 -0.237 0.000 1.017 374 K HN 0.015 nan 8.250 nan 0.000 0.519 375 L N -1.286 119.802 121.223 -0.226 0.000 2.408 375 L HA 0.287 4.625 4.340 -0.003 0.000 0.215 375 L C 1.252 178.052 176.870 -0.117 0.000 1.081 375 L CA 0.687 55.413 54.840 -0.191 0.000 0.840 375 L CB -0.007 41.959 42.059 -0.156 0.000 1.002 375 L HN 0.481 nan 8.230 nan 0.000 0.468 376 G N 1.055 109.794 108.800 -0.102 0.000 2.234 376 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.260 376 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.260 376 G C 0.154 175.022 174.900 -0.052 0.000 0.987 376 G CA 0.755 45.813 45.100 -0.070 0.000 0.625 376 G HN 0.453 nan 8.290 nan 0.000 0.532 377 K N 0.600 120.969 120.400 -0.052 0.000 2.443 377 K HA 0.735 5.053 4.320 -0.003 0.000 0.251 377 K C -0.263 176.325 176.600 -0.021 0.000 0.972 377 K CA -1.108 55.164 56.287 -0.025 0.000 0.833 377 K CB 1.443 33.937 32.500 -0.010 0.000 1.317 377 K HN 0.209 nan 8.250 nan 0.000 0.441 378 E N 0.336 120.545 120.200 0.015 0.000 2.459 378 E HA 0.172 4.521 4.350 -0.003 0.000 0.264 378 E C -0.500 176.143 176.600 0.072 0.000 1.055 378 E CA -0.189 56.244 56.400 0.055 0.000 0.957 378 E CB 0.285 30.050 29.700 0.109 0.000 0.952 378 E HN 0.286 nan 8.360 nan 0.000 0.448 379 V N 1.908 121.898 119.914 0.128 0.000 2.680 379 V HA 0.141 4.260 4.120 -0.003 0.000 0.309 379 V C -0.598 175.673 176.094 0.294 0.000 1.052 379 V CA -1.143 61.254 62.300 0.161 0.000 0.908 379 V CB 1.967 33.832 31.823 0.069 0.000 1.001 379 V HN 0.582 nan 8.190 nan 0.000 0.431 380 D N 2.856 123.392 120.400 0.226 0.000 2.487 380 D HA 0.186 4.825 4.640 -0.003 0.000 0.243 380 D C -0.686 175.750 176.300 0.227 0.000 1.154 380 D CA 0.836 54.962 54.000 0.210 0.000 0.876 380 D CB 0.203 41.136 40.800 0.222 0.000 1.161 380 D HN 0.575 nan 8.370 nan 0.000 0.478 381 Y N 1.034 121.371 120.300 0.062 0.000 2.499 381 Y HA 0.541 5.089 4.550 -0.003 0.000 0.347 381 Y C -0.731 175.133 175.900 -0.059 0.000 0.987 381 Y CA -0.580 57.507 58.100 -0.021 0.000 1.044 381 Y CB 2.282 40.643 38.460 -0.165 0.000 1.245 381 Y HN 0.268 nan 8.280 nan 0.000 0.461 382 T N 4.419 118.283 114.554 -1.150 0.000 2.942 382 T HA 0.217 4.565 4.350 -0.003 0.000 0.327 382 T C -0.303 173.687 174.700 -1.183 0.000 1.360 382 T CA -0.264 61.217 62.100 -1.032 0.000 1.055 382 T CB 1.449 70.061 68.868 -0.427 0.000 1.261 382 T HN 0.688 nan 8.240 nan 0.000 0.485 383 V N 3.965 123.402 119.914 -0.795 0.000 2.358 383 V HA 0.230 4.348 4.120 -0.003 0.000 0.246 383 V C 2.167 178.078 176.094 -0.305 0.000 1.047 383 V CA 3.252 65.302 62.300 -0.417 0.000 1.035 383 V CB -0.877 30.775 31.823 -0.285 0.000 0.658 383 V HN 1.437 nan 8.190 nan 0.000 0.452 384 G N -0.472 108.144 108.800 -0.307 0.000 2.812 384 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.219 384 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.219 384 G C 0.340 175.120 174.900 -0.199 0.000 1.275 384 G CA 0.155 45.123 45.100 -0.221 0.000 0.769 384 G HN 1.931 nan 8.290 nan 0.000 0.527 385 A N -1.476 121.218 122.820 -0.209 0.000 2.594 385 A HA 0.681 4.999 4.320 -0.003 0.000 0.296 385 A C -1.099 176.390 177.584 -0.158 0.000 1.061 385 A CA -0.459 51.474 52.037 -0.173 0.000 0.689 385 A CB 0.669 19.626 19.000 -0.071 0.000 1.280 385 A HN 1.063 nan 8.150 nan 0.000 0.406 386 Y N 0.909 121.199 120.300 -0.017 0.000 2.307 386 Y HA 0.517 5.065 4.550 -0.003 0.000 0.324 386 Y C 1.555 177.392 175.900 -0.106 0.000 1.238 386 Y CA 0.271 58.345 58.100 -0.043 0.000 1.280 386 Y CB 1.835 40.251 38.460 -0.072 0.000 1.248 386 Y HN 0.931 nan 8.280 nan 0.000 0.508 387 S N -1.124 114.635 115.700 0.099 0.000 2.904 387 S HA 0.096 4.564 4.470 -0.003 0.000 0.260 387 S C -0.698 174.066 174.600 0.273 0.000 1.000 387 S CA -0.601 57.672 58.200 0.121 0.000 1.274 387 S CB -1.202 62.093 63.200 0.158 0.000 1.196 387 S HN 0.755 nan 8.310 nan 0.000 0.678 388 H N 1.224 120.476 119.070 0.304 0.000 2.972 388 H HA 0.483 5.037 4.556 -0.003 0.000 0.343 388 H C 1.077 176.463 175.328 0.097 0.000 1.054 388 H CA 0.177 56.324 56.048 0.165 0.000 1.412 388 H CB 0.696 30.459 29.762 0.001 0.000 1.385 388 H HN 0.178 nan 8.280 nan 0.000 0.600 389 K N 1.799 122.128 120.400 -0.119 0.000 2.044 389 K HA -0.029 4.289 4.320 -0.003 0.000 0.204 389 K C 0.075 176.586 176.600 -0.149 0.000 1.049 389 K CA 1.010 56.987 56.287 -0.517 0.000 0.945 389 K CB 0.222 31.912 32.500 -1.349 0.000 0.724 389 K HN 0.780 nan 8.250 nan 0.000 0.440 390 S N -0.543 115.091 115.700 -0.110 0.000 2.599 390 S HA 0.448 4.916 4.470 -0.003 0.000 0.294 390 S C -0.351 174.144 174.600 -0.175 0.000 1.094 390 S CA -1.055 57.091 58.200 -0.090 0.000 0.931 390 S CB 1.486 64.625 63.200 -0.101 0.000 1.093 390 S HN 0.126 nan 8.310 nan 0.000 0.488 391 I N 2.747 123.166 120.570 -0.251 0.000 2.337 391 I HA 0.487 4.656 4.170 -0.003 0.000 0.291 391 I C 1.045 177.015 176.117 -0.244 0.000 1.046 391 I CA 0.146 61.211 61.300 -0.392 0.000 1.324 391 I CB 0.626 38.413 38.000 -0.355 0.000 1.409 391 I HN 0.969 nan 8.210 nan 0.000 0.494 392 G N 2.939 111.598 108.800 -0.235 0.000 3.234 392 G HA2 0.550 4.508 3.960 -0.003 0.000 0.159 392 G HA3 0.550 4.508 3.960 -0.003 0.000 0.159 392 G C 0.712 175.523 174.900 -0.148 0.000 1.175 392 G CA -0.178 44.831 45.100 -0.152 0.000 0.900 392 G HN 0.832 nan 8.290 nan 0.000 0.621 393 G N -1.140 107.600 108.800 -0.101 0.000 2.184 393 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.264 393 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.264 393 G C 1.182 176.037 174.900 -0.075 0.000 0.975 393 G CA 1.106 46.160 45.100 -0.075 0.000 0.642 393 G HN 1.094 nan 8.290 nan 0.000 0.536 394 L N 1.013 122.176 121.223 -0.100 0.000 1.993 394 L HA 0.528 4.866 4.340 -0.003 0.000 0.206 394 L C 2.986 179.838 176.870 -0.030 0.000 1.074 394 L CA 3.135 57.900 54.840 -0.125 0.000 0.746 394 L CB -0.911 41.097 42.059 -0.084 0.000 0.896 394 L HN 0.666 nan 8.230 nan 0.000 0.435 395 A N -1.044 121.773 122.820 -0.006 0.000 2.125 395 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 395 A C 1.938 179.557 177.584 0.057 0.000 1.156 395 A CA 1.552 53.610 52.037 0.036 0.000 0.671 395 A CB -0.652 18.364 19.000 0.027 0.000 0.794 395 A HN 0.593 nan 8.150 nan 0.000 0.459 396 E N 0.089 120.315 120.200 0.043 0.000 2.418 396 E HA -0.033 4.316 4.350 -0.003 0.000 0.197 396 E C 1.048 177.703 176.600 0.093 0.000 1.026 396 E CA 1.036 57.471 56.400 0.059 0.000 0.862 396 E CB 0.003 29.726 29.700 0.038 0.000 0.799 396 E HN 0.676 nan 8.360 nan 0.000 0.518 397 S N -1.830 113.948 115.700 0.131 0.000 2.949 397 S HA 0.433 4.901 4.470 -0.003 0.000 0.246 397 S C -0.069 174.719 174.600 0.314 0.000 0.899 397 S CA -0.719 57.609 58.200 0.214 0.000 1.091 397 S CB 0.345 63.713 63.200 0.279 0.000 1.199 397 S HN -0.097 nan 8.310 nan 0.000 0.507 398 S N 0.746 116.583 115.700 0.227 0.000 2.599 398 S HA 0.854 5.322 4.470 -0.003 0.000 0.294 398 S C -1.073 173.625 174.600 0.164 0.000 1.094 398 S CA -0.644 57.707 58.200 0.252 0.000 0.931 398 S CB 1.398 64.731 63.200 0.223 0.000 1.093 398 S HN 0.491 nan 8.310 nan 0.000 0.488 399 L N 2.539 123.855 121.223 0.154 0.000 2.370 399 L HA 0.497 4.835 4.340 -0.003 0.000 0.266 399 L C 0.785 177.718 176.870 0.104 0.000 1.002 399 L CA -0.684 54.221 54.840 0.109 0.000 0.818 399 L CB 1.313 43.424 42.059 0.087 0.000 1.325 399 L HN 0.584 nan 8.230 nan 0.000 0.418 400 I N -0.275 120.346 120.570 0.085 0.000 2.163 400 I HA -0.082 4.086 4.170 -0.003 0.000 0.240 400 I C 0.620 176.779 176.117 0.070 0.000 1.081 400 I CA 1.484 62.831 61.300 0.078 0.000 1.353 400 I CB -0.475 37.565 38.000 0.068 0.000 1.054 400 I HN 0.631 nan 8.210 nan 0.000 0.407 401 D N 0.143 120.578 120.400 0.059 0.000 2.481 401 D HA 0.466 5.105 4.640 -0.003 0.000 0.246 401 D C 0.695 177.022 176.300 0.046 0.000 1.109 401 D CA -0.145 53.883 54.000 0.048 0.000 0.845 401 D CB 2.292 43.115 40.800 0.038 0.000 1.160 401 D HN 0.057 nan 8.370 nan 0.000 0.534 402 A N 3.336 126.182 122.820 0.044 0.000 1.969 402 A HA 0.017 4.335 4.320 -0.003 0.000 0.218 402 A C 1.957 179.553 177.584 0.020 0.000 1.169 402 A CA 1.656 53.715 52.037 0.035 0.000 0.635 402 A CB -0.230 18.788 19.000 0.030 0.000 0.810 402 A HN 0.598 nan 8.150 nan 0.000 0.445 403 A N -0.573 122.257 122.820 0.016 0.000 2.015 403 A HA 0.056 4.375 4.320 -0.003 0.000 0.219 403 A C 1.290 178.882 177.584 0.014 0.000 1.163 403 A CA 1.090 53.133 52.037 0.010 0.000 0.646 403 A CB -0.202 18.802 19.000 0.008 0.000 0.806 403 A HN 0.378 nan 8.150 nan 0.000 0.448 404 K N 0.681 121.093 120.400 0.020 0.000 2.286 404 K HA 0.278 4.596 4.320 -0.003 0.000 0.256 404 K C -1.963 174.650 176.600 0.022 0.000 0.999 404 K CA -1.512 54.788 56.287 0.022 0.000 0.908 404 K CB -0.027 32.489 32.500 0.027 0.000 0.981 404 K HN 0.246 nan 8.250 nan 0.000 0.500 410 N N 0.645 119.373 118.700 0.047 0.000 2.205 410 N HA 0.135 4.873 4.740 -0.003 0.000 0.201 410 N C -0.581 174.966 175.510 0.063 0.000 1.128 410 N CA 0.349 53.430 53.050 0.052 0.000 0.867 410 N CB 1.199 39.714 38.487 0.045 0.000 0.996 410 N HN 0.099 nan 8.380 nan 0.000 0.503 411 S N -0.347 115.391 115.700 0.064 0.000 2.430 411 S HA 0.619 5.088 4.470 -0.003 0.000 0.282 411 S C 0.171 174.820 174.600 0.082 0.000 1.186 411 S CA 0.353 58.598 58.200 0.076 0.000 1.060 411 S CB -0.332 62.912 63.200 0.073 0.000 0.966 411 S HN 0.551 nan 8.310 nan 0.000 0.501 412 G N 3.734 112.589 108.800 0.093 0.000 2.368 412 G HA2 0.249 4.207 3.960 -0.003 0.000 0.269 412 G HA3 0.249 4.207 3.960 -0.003 0.000 0.269 412 G C -1.786 173.175 174.900 0.101 0.000 1.291 412 G CA -0.681 44.475 45.100 0.095 0.000 0.903 412 G HN 0.695 nan 8.290 nan 0.000 0.483 413 L N -0.646 120.637 121.223 0.102 0.000 2.183 413 L HA 0.766 5.104 4.340 -0.003 0.000 0.253 413 L C -0.651 176.288 176.870 0.115 0.000 1.048 413 L CA -1.227 53.675 54.840 0.102 0.000 0.890 413 L CB 1.979 44.090 42.059 0.087 0.000 1.476 413 L HN 0.369 nan 8.230 nan 0.000 0.455 414 I N 0.704 121.345 120.570 0.117 0.000 2.545 414 I HA 0.523 4.691 4.170 -0.003 0.000 0.292 414 I C -0.590 175.622 176.117 0.159 0.000 1.040 414 I CA -0.361 61.020 61.300 0.135 0.000 1.068 414 I CB 1.987 40.054 38.000 0.111 0.000 1.251 414 I HN 0.632 nan 8.210 nan 0.000 0.424 415 A N 7.190 130.143 122.820 0.221 0.000 2.285 415 A HA 0.608 4.926 4.320 -0.003 0.000 0.310 415 A C -0.492 177.276 177.584 0.307 0.000 1.266 415 A CA -0.676 51.515 52.037 0.257 0.000 0.832 415 A CB 0.563 19.789 19.000 0.377 0.000 1.163 415 A HN 0.648 nan 8.150 nan 0.000 0.499 416 K N 2.177 122.688 120.400 0.186 0.000 2.265 416 K HA 0.452 4.770 4.320 -0.003 0.000 0.267 416 K C -1.540 175.042 176.600 -0.029 0.000 0.994 416 K CA 0.020 56.365 56.287 0.097 0.000 0.860 416 K CB 1.493 34.060 32.500 0.112 0.000 1.099 416 K HN 0.633 nan 8.250 nan 0.000 0.448 417 F N 3.364 123.038 119.950 -0.459 0.000 2.371 417 F HA 0.281 4.806 4.527 -0.003 0.000 0.363 417 F C -0.212 175.116 175.800 -0.786 0.000 1.122 417 F CA -0.715 56.931 58.000 -0.589 0.000 1.129 417 F CB 0.546 38.948 39.000 -0.996 0.000 1.173 417 F HN 0.411 nan 8.300 nan 0.000 0.489 418 Y N 0.815 121.171 120.300 0.092 0.000 2.487 418 Y HA 0.236 4.785 4.550 -0.003 0.000 0.337 418 Y C 1.121 177.350 175.900 0.547 0.000 1.076 418 Y CA -0.627 57.638 58.100 0.274 0.000 1.115 418 Y CB 1.859 40.405 38.460 0.143 0.000 1.235 418 Y HN 0.430 nan 8.280 nan 0.000 0.468 419 S N 0.634 116.739 115.700 0.675 0.000 2.470 419 S HA 0.027 4.495 4.470 -0.003 0.000 0.225 419 S C -0.242 174.650 174.600 0.486 0.000 1.006 419 S CA 0.457 59.010 58.200 0.588 0.000 0.934 419 S CB -0.332 63.106 63.200 0.397 0.000 0.778 419 S HN 0.705 nan 8.310 nan 0.000 0.517 420 N N 0.683 119.524 118.700 0.235 0.000 2.321 420 N HA 0.405 5.143 4.740 -0.003 0.000 0.290 420 N C -3.128 171.986 175.510 -0.660 0.000 1.212 420 N CA -1.849 51.110 53.050 -0.151 0.000 0.767 420 N CB 1.559 40.016 38.487 -0.051 0.000 1.494 420 N HN -0.074 nan 8.380 nan 0.000 0.479 421 P HA -0.083 nan 4.420 nan 0.000 0.271 421 P C 0.851 177.841 177.300 -0.517 0.000 1.233 421 P CA -0.230 62.177 63.100 -1.155 0.000 0.789 421 P CB 0.911 32.067 31.700 -0.906 0.000 0.951 422 V N 1.462 121.150 119.914 -0.376 0.000 2.469 422 V HA -0.245 3.874 4.120 -0.003 0.000 0.251 422 V C 1.930 177.884 176.094 -0.234 0.000 1.064 422 V CA 2.195 64.308 62.300 -0.311 0.000 1.066 422 V CB -1.157 30.524 31.823 -0.236 0.000 0.667 422 V HN 0.505 nan 8.190 nan 0.000 0.461 423 E N -0.060 120.021 120.200 -0.199 0.000 2.427 423 E HA 0.002 4.350 4.350 -0.003 0.000 0.196 423 E C 1.066 177.587 176.600 -0.132 0.000 1.028 423 E CA 0.608 56.925 56.400 -0.139 0.000 0.864 423 E CB 0.091 29.731 29.700 -0.100 0.000 0.813 423 E HN 0.645 nan 8.360 nan 0.000 0.514 424 E N 0.853 120.952 120.200 -0.168 0.000 4.129 424 E HA 0.187 4.535 4.350 -0.003 0.000 0.222 424 E C -0.759 175.769 176.600 -0.120 0.000 1.179 424 E CA -0.249 56.075 56.400 -0.128 0.000 1.334 424 E CB 0.382 30.015 29.700 -0.112 0.000 1.202 424 E HN 0.125 nan 8.360 nan 0.000 0.428 425 R N -1.497 118.935 120.500 -0.114 0.000 2.692 425 R HA 0.492 4.830 4.340 -0.003 0.000 0.269 425 R C -0.548 175.715 176.300 -0.062 0.000 1.030 425 R CA -0.832 55.221 56.100 -0.078 0.000 0.882 425 R CB 0.879 31.123 30.300 -0.095 0.000 1.250 425 R HN 0.069 nan 8.270 nan 0.000 0.465 426 S N -0.276 115.410 115.700 -0.024 0.000 2.652 426 S HA 0.168 4.637 4.470 -0.003 0.000 0.270 426 S C -0.015 174.582 174.600 -0.006 0.000 1.243 426 S CA -0.386 57.806 58.200 -0.014 0.000 0.999 426 S CB 1.214 64.416 63.200 0.003 0.000 0.973 426 S HN 0.655 nan 8.310 nan 0.000 0.544 427 D N 0.539 120.936 120.400 -0.004 0.000 2.309 427 D HA -0.022 4.616 4.640 -0.003 0.000 0.212 427 D C 0.520 176.842 176.300 0.038 0.000 0.968 427 D CA 1.393 55.396 54.000 0.004 0.000 0.882 427 D CB -0.278 40.523 40.800 0.000 0.000 0.918 427 D HN 0.823 nan 8.370 nan 0.000 0.503 428 D N -0.780 119.650 120.400 0.049 0.000 2.440 428 D HA 0.015 4.653 4.640 -0.003 0.000 0.216 428 D C 0.151 176.511 176.300 0.099 0.000 1.150 428 D CA -0.362 53.680 54.000 0.070 0.000 0.832 428 D CB -0.482 40.350 40.800 0.052 0.000 0.992 428 D HN 0.105 nan 8.370 nan 0.000 0.502 429 E N 1.275 121.546 120.200 0.118 0.000 2.376 429 E HA -0.005 4.343 4.350 -0.003 0.000 0.266 429 E C -0.256 176.492 176.600 0.247 0.000 1.009 429 E CA -0.179 56.326 56.400 0.175 0.000 0.902 429 E CB 0.580 30.392 29.700 0.187 0.000 0.972 429 E HN 0.021 nan 8.360 nan 0.000 0.439 430 E N 4.542 124.867 120.200 0.208 0.000 2.301 430 E HA 0.215 4.563 4.350 -0.003 0.000 0.275 430 E C -2.239 174.397 176.600 0.059 0.000 1.030 430 E CA -2.299 54.194 56.400 0.156 0.000 0.852 430 E CB 0.998 30.774 29.700 0.126 0.000 1.060 430 E HN 0.376 nan 8.360 nan 0.000 0.401 431 P HA 0.003 nan 4.420 nan 0.000 0.269 431 P C 0.435 177.638 177.300 -0.162 0.000 1.263 431 P CA 0.019 62.837 63.100 -0.471 0.000 0.813 431 P CB -0.310 31.150 31.700 -0.400 0.000 0.868 432 F N 1.605 121.508 119.950 -0.079 0.000 2.604 432 F HA 0.124 4.649 4.527 -0.003 0.000 0.298 432 F C 0.373 176.202 175.800 0.049 0.000 1.131 432 F CA 0.360 58.351 58.000 -0.016 0.000 1.457 432 F CB -0.640 38.309 39.000 -0.085 0.000 1.095 432 F HN 0.276 nan 8.300 nan 0.000 0.574 433 H N -0.451 118.409 119.070 -0.350 0.000 3.129 433 H HA 0.595 5.150 4.556 -0.003 0.000 0.342 433 H C -1.857 173.366 175.328 -0.174 0.000 1.092 433 H CA -1.024 54.917 56.048 -0.179 0.000 1.310 433 H CB 1.814 31.465 29.762 -0.186 0.000 1.932 433 H HN -0.096 nan 8.280 nan 0.000 0.507 434 V N 4.200 123.948 119.914 -0.278 0.000 2.604 434 V HA 0.663 4.781 4.120 -0.003 0.000 0.305 434 V C -0.316 175.743 176.094 -0.059 0.000 1.043 434 V CA -0.570 61.688 62.300 -0.071 0.000 0.888 434 V CB 1.870 33.665 31.823 -0.046 0.000 0.995 434 V HN 0.901 nan 8.190 nan 0.000 0.429 435 T N 3.415 118.056 114.554 0.143 0.000 2.933 435 T HA 0.370 4.718 4.350 -0.003 0.000 0.305 435 T C -0.798 174.020 174.700 0.197 0.000 1.092 435 T CA -0.730 61.478 62.100 0.179 0.000 1.008 435 T CB 2.066 71.134 68.868 0.333 0.000 1.102 435 T HN 0.536 nan 8.240 nan 0.000 0.469 436 K N 2.603 123.079 120.400 0.127 0.000 2.258 436 K HA 0.460 4.778 4.320 -0.003 0.000 0.284 436 K C -0.882 175.804 176.600 0.143 0.000 1.051 436 K CA -0.361 55.998 56.287 0.120 0.000 0.923 436 K CB 0.855 33.401 32.500 0.076 0.000 1.046 436 K HN 0.394 nan 8.250 nan 0.000 0.474 437 V N 5.952 125.967 119.914 0.168 0.000 2.304 437 V HA 0.123 4.241 4.120 -0.003 0.000 0.269 437 V C 0.963 177.130 176.094 0.122 0.000 1.036 437 V CA -0.636 61.776 62.300 0.187 0.000 0.840 437 V CB 0.807 32.749 31.823 0.199 0.000 1.036 437 V HN 0.694 nan 8.190 nan 0.000 0.466 438 N N 3.715 122.479 118.700 0.106 0.000 2.376 438 N HA 0.077 4.815 4.740 -0.003 0.000 0.177 438 N C 0.652 176.205 175.510 0.071 0.000 1.024 438 N CA 0.469 53.568 53.050 0.083 0.000 0.893 438 N CB 0.489 39.020 38.487 0.073 0.000 0.980 438 N HN 0.540 nan 8.380 nan 0.000 0.439 439 R N 0.033 120.579 120.500 0.078 0.000 2.494 439 R HA 0.338 4.676 4.340 -0.003 0.000 0.305 439 R C 0.714 177.020 176.300 0.010 0.000 0.959 439 R CA -0.298 55.832 56.100 0.051 0.000 0.864 439 R CB 1.640 31.982 30.300 0.070 0.000 1.159 439 R HN -0.109 nan 8.270 nan 0.000 0.446 440 S N 1.322 117.003 115.700 -0.031 0.000 2.383 440 S HA -0.129 4.339 4.470 -0.003 0.000 0.229 440 S C 0.926 175.421 174.600 -0.174 0.000 1.030 440 S CA 1.093 59.236 58.200 -0.096 0.000 1.002 440 S CB -0.158 62.990 63.200 -0.085 0.000 0.829 440 S HN 0.508 nan 8.310 nan 0.000 0.467 441 N N 2.324 120.960 118.700 -0.107 0.000 2.402 441 N HA 0.108 4.847 4.740 -0.003 0.000 0.252 441 N C -1.224 174.222 175.510 -0.106 0.000 1.118 441 N CA 0.119 53.102 53.050 -0.110 0.000 0.945 441 N CB 0.669 39.122 38.487 -0.056 0.000 1.147 441 N HN -0.057 nan 8.380 nan 0.000 0.495 442 V N 4.522 124.235 119.914 -0.335 0.000 2.368 442 V HA 0.074 4.192 4.120 -0.003 0.000 0.266 442 V C 0.045 176.062 176.094 -0.128 0.000 1.045 442 V CA -0.521 61.553 62.300 -0.376 0.000 0.899 442 V CB 0.317 31.555 31.823 -0.976 0.000 1.006 442 V HN 0.555 nan 8.190 nan 0.000 0.470 443 H N 5.483 124.542 119.070 -0.018 0.000 2.685 443 H HA 0.502 5.056 4.556 -0.003 0.000 0.307 443 H C -0.010 175.455 175.328 0.229 0.000 1.017 443 H CA -0.991 55.078 56.048 0.036 0.000 1.237 443 H CB 1.388 31.085 29.762 -0.107 0.000 1.409 443 H HN 0.544 nan 8.280 nan 0.000 0.488 444 L N 5.204 126.624 121.223 0.329 0.000 2.693 444 L HA 0.088 4.426 4.340 -0.003 0.000 0.235 444 L C 1.773 178.921 176.870 0.462 0.000 1.127 444 L CA -0.036 55.038 54.840 0.390 0.000 0.914 444 L CB -0.190 42.101 42.059 0.386 0.000 1.193 444 L HN 0.493 nan 8.230 nan 0.000 0.502 445 F N 1.844 121.858 119.950 0.106 0.000 2.269 445 F HA -0.198 4.327 4.527 -0.003 0.000 0.301 445 F C 1.590 177.299 175.800 -0.152 0.000 1.082 445 F CA 1.444 59.494 58.000 0.084 0.000 1.360 445 F CB 0.038 39.067 39.000 0.049 0.000 1.041 445 F HN 0.264 nan 8.300 nan 0.000 0.512 446 D N -0.552 119.565 120.400 -0.472 0.000 2.538 446 D HA 0.023 4.661 4.640 -0.003 0.000 0.231 446 D C 0.054 176.363 176.300 0.016 0.000 1.229 446 D CA -0.603 52.939 54.000 -0.763 0.000 0.828 446 D CB -1.348 38.965 40.800 -0.811 0.000 1.035 446 D HN 0.208 nan 8.370 nan 0.000 0.495 447 F N 2.321 122.331 119.950 0.100 0.000 2.607 447 F HA 0.229 4.753 4.527 -0.004 0.000 0.374 447 F C 0.325 176.215 175.800 0.150 0.000 1.104 447 F CA 0.099 58.223 58.000 0.207 0.000 1.296 447 F CB 0.652 39.849 39.000 0.328 0.000 1.085 447 F HN -0.181 nan 8.300 nan 0.000 0.584 448 K N 5.735 125.743 120.400 -0.654 0.000 2.471 448 K HA 0.334 4.652 4.320 -0.003 0.000 0.252 448 K C -1.450 174.779 176.600 -0.620 0.000 0.938 448 K CA -0.655 55.374 56.287 -0.430 0.000 0.796 448 K CB 0.792 33.209 32.500 -0.139 0.000 1.161 448 K HN 0.838 nan 8.250 nan 0.000 0.425 453 D N 7.998 128.520 120.400 0.203 0.000 2.344 453 D HA 0.588 5.226 4.640 -0.003 0.000 0.239 453 D C -1.367 175.050 176.300 0.195 0.000 1.064 453 D CA -2.090 52.004 54.000 0.156 0.000 0.829 453 D CB 2.837 43.711 40.800 0.123 0.000 1.129 453 D HN 0.260 nan 8.370 nan 0.000 0.506 454 P HA -0.138 nan 4.420 nan 0.000 0.218 454 P C 0.721 178.120 177.300 0.166 0.000 1.149 454 P CA 1.057 64.272 63.100 0.193 0.000 0.817 454 P CB 0.363 32.135 31.700 0.121 0.000 0.785 455 K N -1.001 119.464 120.400 0.109 0.000 2.296 455 K HA -0.038 4.280 4.320 -0.003 0.000 0.200 455 K C 0.660 177.324 176.600 0.106 0.000 1.048 455 K CA 0.640 56.975 56.287 0.081 0.000 0.966 455 K CB -0.142 32.377 32.500 0.031 0.000 0.754 455 K HN 0.084 nan 8.250 nan 0.000 0.466 456 N N 0.076 118.864 118.700 0.147 0.000 2.732 456 N HA 0.118 4.857 4.740 -0.003 0.000 0.247 456 N C -2.987 172.679 175.510 0.259 0.000 1.305 456 N CA -1.412 51.745 53.050 0.179 0.000 0.762 456 N CB 1.165 39.728 38.487 0.127 0.000 1.361 456 N HN -0.264 nan 8.380 nan 0.000 0.545 457 P HA 0.089 nan 4.420 nan 0.000 0.237 457 P C -1.203 176.332 177.300 0.392 0.000 1.788 457 P CA 0.091 63.455 63.100 0.439 0.000 1.061 457 P CB -0.832 31.172 31.700 0.507 0.000 1.967 458 Y N 4.756 125.197 120.300 0.236 0.000 2.359 458 Y HA 0.457 5.006 4.550 -0.002 0.000 0.334 458 Y C 0.162 176.253 175.900 0.318 0.000 1.058 458 Y CA 0.251 58.414 58.100 0.105 0.000 1.244 458 Y CB 0.266 38.796 38.460 0.117 0.000 1.187 458 Y HN 0.274 nan 8.280 nan 0.000 0.510 459 F N 3.046 122.891 119.950 -0.175 0.000 2.919 459 F HA 0.524 5.049 4.527 -0.003 0.000 0.330 459 F C -2.541 173.071 175.800 -0.313 0.000 1.136 459 F CA -2.142 55.911 58.000 0.088 0.000 0.901 459 F CB 0.438 39.698 39.000 0.433 0.000 1.321 459 F HN 0.216 nan 8.300 nan 0.000 0.449 460 F N 0.774 120.872 119.950 0.247 0.000 2.598 460 F HA 0.870 5.395 4.527 -0.003 0.000 0.327 460 F C -0.577 175.241 175.800 0.030 0.000 1.057 460 F CA -1.482 56.499 58.000 -0.031 0.000 0.957 460 F CB 2.341 41.309 39.000 -0.054 0.000 1.278 460 F HN 0.437 nan 8.300 nan 0.000 0.484 461 V N 0.638 120.599 119.914 0.078 0.000 2.686 461 V HA 0.409 4.528 4.120 -0.003 0.000 0.306 461 V C -0.923 175.163 176.094 -0.013 0.000 1.065 461 V CA -0.747 61.474 62.300 -0.131 0.000 0.894 461 V CB 2.192 33.780 31.823 -0.391 0.000 1.004 461 V HN 0.775 nan 8.190 nan 0.000 0.424 462 T N 5.887 120.488 114.554 0.078 0.000 2.821 462 T HA 0.516 4.864 4.350 -0.003 0.000 0.307 462 T C -0.564 174.183 174.700 0.078 0.000 1.034 462 T CA -0.152 61.998 62.100 0.083 0.000 0.953 462 T CB 0.847 69.806 68.868 0.152 0.000 0.968 462 T HN 0.420 nan 8.240 nan 0.000 0.462 463 L N 5.056 126.302 121.223 0.038 0.000 2.272 463 L HA 0.700 5.038 4.340 -0.003 0.000 0.289 463 L C 0.214 177.112 176.870 0.046 0.000 1.032 463 L CA 0.138 55.024 54.840 0.076 0.000 0.810 463 L CB 0.892 43.041 42.059 0.150 0.000 1.205 463 L HN 0.714 nan 8.230 nan 0.000 0.422 464 T N 1.538 116.134 114.554 0.070 0.000 2.906 464 T HA 1.011 5.359 4.350 -0.003 0.000 0.295 464 T C -0.219 174.528 174.700 0.079 0.000 1.075 464 T CA -0.298 61.840 62.100 0.064 0.000 1.005 464 T CB 1.862 70.772 68.868 0.069 0.000 1.136 464 T HN 1.038 nan 8.240 nan 0.000 0.498 465 G N 0.383 109.236 108.800 0.089 0.000 2.322 465 G HA2 0.500 4.458 3.960 -0.003 0.000 0.295 465 G HA3 0.500 4.458 3.960 -0.003 0.000 0.295 465 G C -2.328 172.659 174.900 0.144 0.000 1.369 465 G CA -0.940 44.226 45.100 0.111 0.000 0.821 465 G HN 0.821 nan 8.290 nan 0.000 0.536 466 Q N -0.331 119.569 119.800 0.167 0.000 2.321 466 Q HA 0.431 4.769 4.340 -0.003 0.000 0.270 466 Q C -1.841 174.332 176.000 0.288 0.000 1.032 466 Q CA -0.813 55.111 55.803 0.200 0.000 0.784 466 Q CB 3.083 31.900 28.738 0.132 0.000 1.264 466 Q HN 0.513 nan 8.270 nan 0.000 0.448 467 Y N 2.148 122.564 120.300 0.194 0.000 2.330 467 Y HA 0.415 4.963 4.550 -0.003 0.000 0.336 467 Y C -0.892 175.130 175.900 0.204 0.000 1.036 467 Y CA -0.900 57.317 58.100 0.195 0.000 1.125 467 Y CB 1.124 39.727 38.460 0.237 0.000 1.194 467 Y HN 0.347 nan 8.280 nan 0.000 0.469 468 V N 8.177 127.890 119.914 -0.335 0.000 2.376 468 V HA 0.399 4.517 4.120 -0.003 0.000 0.287 468 V C -2.407 173.281 176.094 -0.676 0.000 1.015 468 V CA -2.237 59.868 62.300 -0.325 0.000 0.834 468 V CB 1.072 32.812 31.823 -0.138 0.000 1.001 468 V HN 0.690 nan 8.190 nan 0.000 0.428 469 P HA 0.224 nan 4.420 nan 0.000 0.269 469 P C -0.034 177.131 177.300 -0.226 0.000 1.209 469 P CA -0.164 62.607 63.100 -0.549 0.000 0.776 469 P CB 0.719 32.110 31.700 -0.515 0.000 0.876 470 Q N 0.511 120.270 119.800 -0.068 0.000 2.247 470 Q HA 0.196 4.534 4.340 -0.003 0.000 0.205 470 Q C 0.054 176.100 176.000 0.076 0.000 0.896 470 Q CA 0.577 56.392 55.803 0.020 0.000 0.950 470 Q CB 0.073 28.847 28.738 0.061 0.000 1.054 470 Q HN 0.466 nan 8.270 nan 0.000 0.482 471 E N -0.932 119.322 120.200 0.090 0.000 2.398 471 E HA 0.093 4.441 4.350 -0.003 0.000 0.280 471 E C -1.452 175.232 176.600 0.141 0.000 1.122 471 E CA -0.429 56.053 56.400 0.136 0.000 0.873 471 E CB 0.962 30.777 29.700 0.192 0.000 1.294 471 E HN 0.024 nan 8.360 nan 0.000 0.435 472 D N -0.341 120.143 120.400 0.141 0.000 2.466 472 D HA 0.672 5.311 4.640 -0.003 0.000 0.262 472 D C 0.777 177.213 176.300 0.227 0.000 1.177 472 D CA 1.012 55.095 54.000 0.138 0.000 1.035 472 D CB 0.674 41.530 40.800 0.094 0.000 1.105 472 D HN 0.803 nan 8.370 nan 0.000 0.551 473 G N -0.383 108.529 108.800 0.188 0.000 2.488 473 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.237 473 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.237 473 G C -1.190 173.877 174.900 0.277 0.000 1.209 473 G CA -0.326 44.884 45.100 0.185 0.000 0.929 473 G HN 0.589 nan 8.290 nan 0.000 0.578 474 D N 0.447 120.965 120.400 0.196 0.000 2.264 474 D HA 0.603 5.241 4.640 -0.003 0.000 0.250 474 D C -0.610 175.733 176.300 0.073 0.000 1.113 474 D CA 0.419 54.508 54.000 0.147 0.000 0.871 474 D CB 0.884 41.705 40.800 0.035 0.000 1.167 474 D HN 0.449 nan 8.370 nan 0.000 0.447 475 Y N 0.844 121.118 120.300 -0.043 0.000 2.421 475 Y HA 0.432 4.980 4.550 -0.003 0.000 0.339 475 Y C -0.496 175.274 175.900 -0.215 0.000 0.996 475 Y CA -0.974 57.029 58.100 -0.162 0.000 1.046 475 Y CB 1.376 39.703 38.460 -0.222 0.000 1.226 475 Y HN 0.265 nan 8.280 nan 0.000 0.445 476 I N 4.568 125.007 120.570 -0.218 0.000 2.355 476 I HA 0.346 4.514 4.170 -0.003 0.000 0.288 476 I C -0.912 175.004 176.117 -0.335 0.000 0.999 476 I CA -0.418 60.778 61.300 -0.174 0.000 1.163 476 I CB 0.674 38.597 38.000 -0.129 0.000 1.316 476 I HN 0.377 nan 8.210 nan 0.000 0.454 477 F N 3.954 123.792 119.950 -0.187 0.000 2.377 477 F HA 0.552 5.078 4.527 -0.003 0.000 0.328 477 F C 0.782 176.437 175.800 -0.241 0.000 1.094 477 F CA -0.270 57.563 58.000 -0.278 0.000 1.093 477 F CB 1.685 40.334 39.000 -0.585 0.000 1.214 477 F HN 0.444 nan 8.300 nan 0.000 0.518 478 S N 2.267 117.990 115.700 0.039 0.000 2.564 478 S HA 0.821 5.289 4.470 -0.003 0.000 0.274 478 S C -1.748 172.933 174.600 0.134 0.000 1.124 478 S CA -0.773 57.439 58.200 0.020 0.000 0.869 478 S CB 2.014 65.182 63.200 -0.053 0.000 1.105 478 S HN 0.620 nan 8.310 nan 0.000 0.472 479 L N 1.341 122.604 121.223 0.066 0.000 2.470 479 L HA 0.612 4.951 4.340 -0.003 0.000 0.268 479 L C -1.171 175.651 176.870 -0.081 0.000 0.964 479 L CA -0.009 54.867 54.840 0.059 0.000 0.839 479 L CB 1.989 44.135 42.059 0.146 0.000 1.276 479 L HN 0.964 nan 8.230 nan 0.000 0.403 480 Q N 3.162 122.831 119.800 -0.219 0.000 2.397 480 Q HA 0.865 5.203 4.340 -0.003 0.000 0.275 480 Q C -1.510 174.141 176.000 -0.583 0.000 1.090 480 Q CA -0.824 54.734 55.803 -0.409 0.000 0.809 480 Q CB 3.340 31.692 28.738 -0.644 0.000 1.362 480 Q HN 0.603 nan 8.270 nan 0.000 0.431 481 V N -0.608 119.071 119.914 -0.392 0.000 3.147 481 V HA 0.594 4.712 4.120 -0.003 0.000 0.306 481 V C -2.327 173.890 176.094 0.205 0.000 1.209 481 V CA -0.657 61.557 62.300 -0.143 0.000 1.023 481 V CB 2.186 34.047 31.823 0.063 0.000 1.059 481 V HN 0.805 nan 8.190 nan 0.000 0.435 482 Y N 3.173 123.622 120.300 0.249 0.000 2.388 482 Y HA 0.844 5.392 4.550 -0.002 0.000 0.328 482 Y C 0.362 176.317 175.900 0.091 0.000 0.963 482 Y CA 0.500 58.702 58.100 0.169 0.000 1.240 482 Y CB 0.982 39.586 38.460 0.241 0.000 1.118 482 Y HN 1.732 nan 8.280 nan 0.000 0.484 483 G N 2.665 111.252 108.800 -0.356 0.000 2.253 483 G HA2 0.284 4.243 3.960 -0.003 0.000 0.190 483 G HA3 0.284 4.243 3.960 -0.003 0.000 0.190 483 G C -1.062 173.596 174.900 -0.403 0.000 1.274 483 G CA -0.260 44.537 45.100 -0.505 0.000 1.275 483 G HN 1.283 nan 8.290 nan 0.000 0.518 484 S N -1.217 114.185 115.700 -0.496 0.000 2.596 484 S HA 0.981 5.449 4.470 -0.003 0.000 0.270 484 S C -0.224 174.183 174.600 -0.322 0.000 1.155 484 S CA 0.479 58.486 58.200 -0.321 0.000 0.827 484 S CB 1.678 64.709 63.200 -0.282 0.000 1.130 484 S HN 2.664 nan 8.310 nan 0.000 0.467 485 G N -0.287 108.393 108.800 -0.200 0.000 2.547 485 G HA2 0.576 4.534 3.960 -0.003 0.000 0.291 485 G HA3 0.576 4.534 3.960 -0.003 0.000 0.291 485 G C -2.451 172.352 174.900 -0.162 0.000 1.471 485 G CA -0.799 44.187 45.100 -0.191 0.000 0.798 485 G HN 0.834 nan 8.290 nan 0.000 0.504 486 L N -0.094 121.017 121.223 -0.186 0.000 2.422 486 L HA 0.652 4.991 4.340 -0.003 0.000 0.264 486 L C -1.058 175.641 176.870 -0.284 0.000 0.984 486 L CA -0.557 54.129 54.840 -0.256 0.000 0.819 486 L CB 2.671 44.521 42.059 -0.349 0.000 1.330 486 L HN 0.583 nan 8.230 nan 0.000 0.410 487 F N 2.372 122.051 119.950 -0.451 0.000 2.382 487 F HA 0.570 5.095 4.527 -0.003 0.000 0.361 487 F C -1.029 174.541 175.800 -0.384 0.000 1.109 487 F CA -0.616 57.199 58.000 -0.308 0.000 1.031 487 F CB 0.641 39.530 39.000 -0.185 0.000 1.234 487 F HN 0.336 nan 8.300 nan 0.000 0.445 488 Y N 5.499 125.976 120.300 0.294 0.000 2.334 488 Y HA 0.538 5.086 4.550 -0.004 0.000 0.328 488 Y C -0.707 175.309 175.900 0.193 0.000 1.130 488 Y CA -0.937 57.258 58.100 0.159 0.000 1.163 488 Y CB 1.562 40.053 38.460 0.053 0.000 1.207 488 Y HN 0.462 nan 8.280 nan 0.000 0.471 489 L N 4.314 125.658 121.223 0.202 0.000 2.372 489 L HA 0.471 4.809 4.340 -0.003 0.000 0.274 489 L C -0.583 176.361 176.870 0.123 0.000 0.988 489 L CA -0.522 54.375 54.840 0.094 0.000 0.833 489 L CB 0.838 42.783 42.059 -0.190 0.000 1.236 489 L HN 0.704 nan 8.230 nan 0.000 0.410 490 N N 3.878 122.668 118.700 0.150 0.000 2.714 490 N HA -0.235 4.503 4.740 -0.003 0.000 0.252 490 N C -0.463 175.089 175.510 0.070 0.000 1.014 490 N CA 1.283 54.396 53.050 0.105 0.000 0.735 490 N CB -0.913 37.641 38.487 0.112 0.000 0.924 490 N HN 0.818 nan 8.380 nan 0.000 0.540 491 D N -1.538 118.901 120.400 0.065 0.000 2.870 491 D HA -0.203 4.436 4.640 -0.003 0.000 0.228 491 D C -0.539 175.807 176.300 0.077 0.000 1.147 491 D CA 1.156 55.151 54.000 -0.009 0.000 0.757 491 D CB -1.175 39.584 40.800 -0.069 0.000 1.091 491 D HN 0.710 nan 8.370 nan 0.000 0.429 492 E N 0.149 120.459 120.200 0.182 0.000 2.325 492 E HA 0.360 4.709 4.350 -0.003 0.000 0.248 492 E C -0.055 176.653 176.600 0.179 0.000 0.912 492 E CA -0.948 55.552 56.400 0.166 0.000 0.782 492 E CB 1.825 31.568 29.700 0.071 0.000 1.264 492 E HN 0.078 nan 8.360 nan 0.000 0.417 493 L N 4.896 126.249 121.223 0.217 0.000 2.706 493 L HA -0.105 4.233 4.340 -0.003 0.000 0.282 493 L C 0.695 177.501 176.870 -0.107 0.000 1.219 493 L CA 0.934 55.726 54.840 -0.081 0.000 0.935 493 L CB 0.189 42.180 42.059 -0.113 0.000 1.204 493 L HN 0.723 nan 8.230 nan 0.000 0.491 494 I N 2.552 123.011 120.570 -0.184 0.000 3.790 494 I HA 0.351 4.519 4.170 -0.003 0.000 0.305 494 I C 0.176 176.165 176.117 -0.212 0.000 1.253 494 I CA 0.016 61.179 61.300 -0.229 0.000 1.355 494 I CB 0.269 38.032 38.000 -0.394 0.000 1.137 494 I HN 0.368 nan 8.210 nan 0.000 0.435 495 I N 2.292 122.746 120.570 -0.193 0.000 2.563 495 I HA 0.316 4.484 4.170 -0.003 0.000 0.285 495 I C -1.535 174.517 176.117 -0.109 0.000 1.123 495 I CA -0.438 60.784 61.300 -0.129 0.000 1.059 495 I CB 2.042 39.979 38.000 -0.104 0.000 1.229 495 I HN -0.011 nan 8.210 nan 0.000 0.442 496 D N 6.226 126.565 120.400 -0.102 0.000 2.274 496 D HA 0.245 4.883 4.640 -0.003 0.000 0.239 496 D C -0.216 176.036 176.300 -0.080 0.000 1.104 496 D CA -0.022 53.916 54.000 -0.103 0.000 0.840 496 D CB 1.575 42.321 40.800 -0.089 0.000 1.100 496 D HN 0.460 nan 8.370 nan 0.000 0.477 497 Q N 2.844 122.592 119.800 -0.088 0.000 2.115 497 Q HA 0.121 4.459 4.340 -0.003 0.000 0.249 497 Q C -0.132 175.811 176.000 -0.096 0.000 0.830 497 Q CA -0.207 55.547 55.803 -0.081 0.000 1.104 497 Q CB 1.236 29.929 28.738 -0.074 0.000 1.207 497 Q HN 0.414 nan 8.270 nan 0.000 0.464 502 E N 1.989 122.182 120.200 -0.011 0.000 2.166 502 E HA 0.335 4.683 4.350 -0.003 0.000 0.275 502 E C -0.689 175.916 176.600 0.008 0.000 0.941 502 E CA -0.795 55.604 56.400 -0.002 0.000 0.784 502 E CB 1.357 31.053 29.700 -0.006 0.000 1.115 502 E HN 0.102 nan 8.360 nan 0.000 0.399 503 R N 1.780 122.290 120.500 0.017 0.000 2.489 503 R HA 0.341 4.679 4.340 -0.003 0.000 0.287 503 R C 0.023 176.331 176.300 0.013 0.000 1.053 503 R CA 0.303 56.422 56.100 0.031 0.000 1.036 503 R CB 0.900 31.224 30.300 0.040 0.000 0.966 503 R HN 0.780 nan 8.270 nan 0.000 0.432 504 G N 0.018 108.828 108.800 0.017 0.000 2.846 504 G HA2 0.108 4.067 3.960 -0.003 0.000 0.299 504 G HA3 0.108 4.067 3.960 -0.003 0.000 0.299 504 G C 0.061 174.933 174.900 -0.046 0.000 1.242 504 G CA -0.397 44.691 45.100 -0.019 0.000 0.800 504 G HN 0.434 nan 8.290 nan 0.000 0.538 505 S N -0.629 115.017 115.700 -0.091 0.000 2.461 505 S HA 0.147 4.616 4.470 -0.003 0.000 0.228 505 S C 0.722 175.300 174.600 -0.037 0.000 1.005 505 S CA 0.084 58.172 58.200 -0.186 0.000 0.942 505 S CB -0.178 62.861 63.200 -0.268 0.000 0.776 505 S HN 0.338 nan 8.310 nan 0.000 0.514 506 F N 1.774 121.663 119.950 -0.102 0.000 2.553 506 F HA 0.135 4.660 4.527 -0.003 0.000 0.356 506 F C 1.016 176.750 175.800 -0.109 0.000 1.142 506 F CA -0.847 57.089 58.000 -0.106 0.000 1.322 506 F CB 0.038 38.995 39.000 -0.073 0.000 1.126 506 F HN 0.148 nan 8.300 nan 0.000 0.599 507 C N 6.642 125.305 119.300 -1.062 0.000 3.873 507 C HA -0.253 4.206 4.460 -0.003 0.000 0.302 507 C C 0.183 175.036 174.990 -0.228 0.000 1.266 507 C CA 0.273 58.844 59.018 -0.745 0.000 2.185 507 C CB -3.105 24.328 27.740 -0.513 0.000 1.380 507 C HN 0.947 nan 8.230 nan 0.000 0.623 508 F N -1.639 118.159 119.950 -0.254 0.000 3.074 508 F HA -0.177 4.348 4.527 -0.003 0.000 0.287 508 F C 1.341 177.159 175.800 0.030 0.000 0.932 508 F CA 1.774 59.726 58.000 -0.079 0.000 0.995 508 F CB -1.560 37.362 39.000 -0.130 0.000 0.966 508 F HN 1.537 nan 8.300 nan 0.000 0.721 509 G N -1.031 107.887 108.800 0.197 0.000 2.168 509 G HA2 -0.056 3.902 3.960 -0.003 0.000 0.257 509 G HA3 -0.056 3.902 3.960 -0.003 0.000 0.257 509 G C 0.853 175.778 174.900 0.043 0.000 0.997 509 G CA 0.533 45.691 45.100 0.096 0.000 0.708 509 G HN 1.619 nan 8.290 nan 0.000 0.520 510 A N -1.101 121.727 122.820 0.013 0.000 2.229 510 A HA 0.701 5.019 4.320 -0.003 0.000 0.211 510 A C 1.900 179.559 177.584 0.125 0.000 1.193 510 A CA 1.425 53.469 52.037 0.012 0.000 0.879 510 A CB 0.018 18.934 19.000 -0.140 0.000 0.911 510 A HN 1.444 nan 8.150 nan 0.000 0.492 511 G N -0.077 108.817 108.800 0.156 0.000 3.229 511 G HA2 0.413 4.372 3.960 -0.003 0.000 0.165 511 G HA3 0.413 4.372 3.960 -0.003 0.000 0.165 511 G C 0.452 175.472 174.900 0.201 0.000 1.753 511 G CA 0.826 46.126 45.100 0.333 0.000 1.054 511 G HN 0.715 nan 8.290 nan 0.000 0.544 512 T N -1.874 112.781 114.554 0.168 0.000 2.924 512 T HA 0.597 4.946 4.350 -0.003 0.000 0.291 512 T C -0.418 174.301 174.700 0.031 0.000 1.045 512 T CA -0.814 61.323 62.100 0.061 0.000 1.015 512 T CB 2.208 71.080 68.868 0.006 0.000 1.103 512 T HN 0.329 nan 8.240 nan 0.000 0.496 513 K N 1.102 121.503 120.400 0.002 0.000 2.319 513 K HA 0.156 4.474 4.320 -0.003 0.000 0.265 513 K C 0.437 177.019 176.600 -0.031 0.000 1.000 513 K CA -0.426 55.852 56.287 -0.015 0.000 0.943 513 K CB 0.600 33.090 32.500 -0.016 0.000 0.950 513 K HN 0.767 nan 8.250 nan 0.000 0.485 514 E N 2.518 122.697 120.200 -0.036 0.000 2.316 514 E HA 0.028 4.376 4.350 -0.003 0.000 0.275 514 E C -0.812 175.764 176.600 -0.039 0.000 1.029 514 E CA -0.245 56.125 56.400 -0.049 0.000 0.871 514 E CB 0.720 30.390 29.700 -0.050 0.000 1.022 514 E HN 0.297 nan 8.360 nan 0.000 0.418 515 R N 2.170 122.645 120.500 -0.043 0.000 2.514 515 R HA 0.372 4.710 4.340 -0.003 0.000 0.301 515 R C -0.616 175.659 176.300 -0.042 0.000 0.962 515 R CA -0.406 55.671 56.100 -0.039 0.000 0.882 515 R CB 1.976 32.251 30.300 -0.042 0.000 1.143 515 R HN 0.686 nan 8.270 nan 0.000 0.452 516 T N -0.802 113.726 114.554 -0.042 0.000 2.916 516 T HA 0.612 4.961 4.350 -0.003 0.000 0.292 516 T C -0.895 173.775 174.700 -0.050 0.000 1.064 516 T CA -1.046 61.026 62.100 -0.046 0.000 1.011 516 T CB 2.044 70.890 68.868 -0.037 0.000 1.152 516 T HN 0.288 nan 8.240 nan 0.000 0.510 517 K N 0.859 121.237 120.400 -0.037 0.000 2.601 517 K HA 0.501 4.819 4.320 -0.003 0.000 0.249 517 K C -1.195 175.439 176.600 0.056 0.000 0.966 517 K CA -0.649 55.624 56.287 -0.023 0.000 0.827 517 K CB 1.565 34.003 32.500 -0.102 0.000 1.178 517 K HN 0.630 nan 8.250 nan 0.000 0.437 518 K N 4.503 124.923 120.400 0.033 0.000 2.379 518 K HA 0.405 4.723 4.320 -0.003 0.000 0.284 518 K C -1.216 175.427 176.600 0.072 0.000 1.044 518 K CA 0.174 56.492 56.287 0.051 0.000 0.974 518 K CB 0.181 32.697 32.500 0.027 0.000 0.962 518 K HN 0.592 nan 8.250 nan 0.000 0.474 519 L N 3.642 124.938 121.223 0.123 0.000 2.493 519 L HA 0.316 4.654 4.340 -0.003 0.000 0.265 519 L C -0.595 176.355 176.870 0.134 0.000 0.954 519 L CA -0.997 53.909 54.840 0.111 0.000 0.844 519 L CB 2.332 44.449 42.059 0.097 0.000 1.302 519 L HN 0.552 nan 8.230 nan 0.000 0.405 520 T N 3.511 118.126 114.554 0.102 0.000 2.834 520 T HA 0.456 4.804 4.350 -0.003 0.000 0.298 520 T C -0.208 174.552 174.700 0.100 0.000 0.966 520 T CA -0.031 62.139 62.100 0.116 0.000 1.141 520 T CB 0.575 69.498 68.868 0.092 0.000 0.905 520 T HN 0.109 nan 8.240 nan 0.000 0.535 521 L N 2.887 124.168 121.223 0.097 0.000 2.323 521 L HA 0.573 4.912 4.340 -0.003 0.000 0.265 521 L C 0.094 177.002 176.870 0.065 0.000 1.012 521 L CA -0.702 54.144 54.840 0.010 0.000 0.820 521 L CB 1.837 43.738 42.059 -0.262 0.000 1.334 521 L HN 0.392 nan 8.230 nan 0.000 0.427 522 K N 2.182 122.669 120.400 0.146 0.000 2.182 522 K HA 0.295 4.613 4.320 -0.003 0.000 0.262 522 K C -0.491 176.150 176.600 0.068 0.000 0.957 522 K CA -0.750 55.602 56.287 0.108 0.000 0.842 522 K CB 1.409 33.975 32.500 0.110 0.000 1.099 522 K HN 0.418 nan 8.250 nan 0.000 0.438 523 K N 0.813 121.231 120.400 0.030 0.000 2.469 523 K HA -0.045 4.273 4.320 -0.003 0.000 0.274 523 K C 0.806 177.402 176.600 -0.007 0.000 0.983 523 K CA 1.608 57.895 56.287 0.001 0.000 0.974 523 K CB 0.186 32.696 32.500 0.016 0.000 0.913 523 K HN 0.909 nan 8.250 nan 0.000 0.493 524 G N 1.904 110.685 108.800 -0.031 0.000 2.284 524 G HA2 -0.365 3.594 3.960 -0.003 0.000 0.268 524 G HA3 -0.365 3.594 3.960 -0.003 0.000 0.268 524 G C 0.330 175.201 174.900 -0.048 0.000 0.980 524 G CA 1.110 46.188 45.100 -0.037 0.000 0.631 524 G HN 0.670 nan 8.290 nan 0.000 0.548 525 Q N 0.324 120.097 119.800 -0.045 0.000 2.314 525 Q HA 0.501 4.839 4.340 -0.003 0.000 0.258 525 Q C -0.006 175.877 176.000 -0.195 0.000 0.954 525 Q CA -0.492 55.229 55.803 -0.138 0.000 0.890 525 Q CB 1.030 29.661 28.738 -0.178 0.000 1.210 525 Q HN 0.214 nan 8.270 nan 0.000 0.410 526 V N 4.990 124.744 119.914 -0.266 0.000 2.439 526 V HA 0.269 4.387 4.120 -0.003 0.000 0.282 526 V C -1.013 174.905 176.094 -0.293 0.000 1.039 526 V CA -0.353 61.849 62.300 -0.163 0.000 0.913 526 V CB 0.508 32.285 31.823 -0.077 0.000 0.983 526 V HN 0.664 nan 8.190 nan 0.000 0.460 527 Y N 2.583 122.927 120.300 0.074 0.000 2.361 527 Y HA 0.437 4.985 4.550 -0.003 0.000 0.337 527 Y C 0.427 176.403 175.900 0.127 0.000 0.965 527 Y CA -1.059 57.104 58.100 0.104 0.000 1.091 527 Y CB 1.520 40.073 38.460 0.156 0.000 1.182 527 Y HN 0.519 nan 8.280 nan 0.000 0.450 528 N N 2.851 121.689 118.700 0.230 0.000 2.405 528 N HA 0.207 4.945 4.740 -0.003 0.000 0.260 528 N C -0.784 174.848 175.510 0.205 0.000 1.152 528 N CA -0.113 53.041 53.050 0.174 0.000 0.948 528 N CB 1.018 39.568 38.487 0.105 0.000 1.111 528 N HN 0.459 nan 8.380 nan 0.000 0.485 529 V N 1.148 121.184 119.914 0.204 0.000 2.427 529 V HA 0.667 4.786 4.120 -0.003 0.000 0.286 529 V C 0.157 176.298 176.094 0.078 0.000 1.034 529 V CA -0.821 61.595 62.300 0.193 0.000 0.893 529 V CB 1.328 33.288 31.823 0.228 0.000 0.982 529 V HN 0.593 nan 8.190 nan 0.000 0.452 530 R N 3.485 124.007 120.500 0.037 0.000 2.548 530 R HA 0.767 5.105 4.340 -0.003 0.000 0.280 530 R C -2.105 174.142 176.300 -0.089 0.000 1.061 530 R CA -0.516 55.595 56.100 0.018 0.000 0.915 530 R CB 2.502 32.868 30.300 0.111 0.000 1.210 530 R HN 0.742 nan 8.270 nan 0.000 0.442 531 V N 3.741 123.565 119.914 -0.149 0.000 2.448 531 V HA 0.400 4.518 4.120 -0.003 0.000 0.295 531 V C -0.521 175.497 176.094 -0.128 0.000 1.025 531 V CA -0.923 61.248 62.300 -0.217 0.000 0.859 531 V CB 1.774 33.403 31.823 -0.323 0.000 0.988 531 V HN 0.696 nan 8.190 nan 0.000 0.431 532 E N 3.708 123.859 120.200 -0.082 0.000 2.197 532 E HA 0.438 4.786 4.350 -0.003 0.000 0.281 532 E C -1.356 175.138 176.600 -0.177 0.000 0.995 532 E CA -0.381 55.978 56.400 -0.068 0.000 0.808 532 E CB 2.390 32.109 29.700 0.031 0.000 1.093 532 E HN 0.687 nan 8.360 nan 0.000 0.394 533 Y N 0.346 120.424 120.300 -0.369 0.000 2.433 533 Y HA 0.550 5.099 4.550 -0.001 0.000 0.337 533 Y C -0.639 174.995 175.900 -0.443 0.000 1.026 533 Y CA -0.686 57.071 58.100 -0.571 0.000 1.037 533 Y CB 1.902 39.630 38.460 -1.221 0.000 1.245 533 Y HN 0.509 nan 8.280 nan 0.000 0.443 534 G N 3.189 111.077 108.800 -1.521 0.000 2.452 534 G HA2 0.490 4.448 3.960 -0.003 0.000 0.324 534 G HA3 0.490 4.448 3.960 -0.003 0.000 0.324 534 G C -0.796 172.873 174.900 -2.050 0.000 1.214 534 G CA -0.500 43.490 45.100 -1.851 0.000 0.947 534 G HN 0.910 nan 8.290 nan 0.000 0.478 535 S N 0.915 115.613 115.700 -1.669 0.000 2.625 535 S HA 0.422 4.890 4.470 -0.003 0.000 0.258 535 S C 2.018 176.148 174.600 -0.783 0.000 1.256 535 S CA 0.354 57.932 58.200 -1.037 0.000 0.983 535 S CB 0.301 62.864 63.200 -1.062 0.000 1.032 535 S HN 1.192 nan 8.310 nan 0.000 0.572 536 G N 1.396 109.876 108.800 -0.533 0.000 2.631 536 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.219 536 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.219 536 G C -1.042 173.545 174.900 -0.522 0.000 1.214 536 G CA 1.205 45.902 45.100 -0.670 0.000 0.785 536 G HN 0.667 nan 8.290 nan 0.000 0.596 537 P HA 0.006 nan 4.420 nan 0.000 0.230 537 P C 2.050 179.347 177.300 -0.004 0.000 1.158 537 P CA 1.820 64.949 63.100 0.047 0.000 0.769 537 P CB -0.127 31.715 31.700 0.236 0.000 0.807 538 T N -3.931 110.369 114.554 -0.422 0.000 2.942 538 T HA -0.018 4.330 4.350 -0.003 0.000 0.265 538 T C 1.214 175.750 174.700 -0.274 0.000 1.062 538 T CA 0.639 62.427 62.100 -0.519 0.000 1.139 538 T CB -0.825 67.330 68.868 -1.189 0.000 0.883 538 T HN 0.160 nan 8.240 nan 0.000 0.468 546 G N 0.371 109.456 108.800 0.475 0.000 2.531 546 G HA2 0.558 4.516 3.960 -0.003 0.000 0.313 546 G HA3 0.558 4.516 3.960 -0.003 0.000 0.313 546 G C 0.646 175.817 174.900 0.452 0.000 1.238 546 G CA -0.167 45.212 45.100 0.466 0.000 0.994 546 G HN 0.913 nan 8.290 nan 0.000 0.493 547 A N -1.214 121.886 122.820 0.467 0.000 1.877 547 A HA 0.371 4.689 4.320 -0.003 0.000 0.216 547 A C 2.166 179.983 177.584 0.388 0.000 1.186 547 A CA 2.397 54.663 52.037 0.382 0.000 0.620 547 A CB -1.136 18.206 19.000 0.569 0.000 0.822 547 A HN 2.521 nan 8.150 nan 0.000 0.443 548 G N -2.105 107.055 108.800 0.600 0.000 2.866 548 G HA2 0.321 4.279 3.960 -0.003 0.000 0.274 548 G HA3 0.321 4.279 3.960 -0.003 0.000 0.274 548 G C 1.215 176.460 174.900 0.574 0.000 1.413 548 G CA 0.742 46.296 45.100 0.756 0.000 0.997 548 G HN 2.536 nan 8.290 nan 0.000 0.559 549 G N -1.765 107.350 108.800 0.525 0.000 2.350 549 G HA2 0.673 4.632 3.960 -0.003 0.000 0.282 549 G HA3 0.673 4.632 3.960 -0.003 0.000 0.282 549 G C -0.688 174.361 174.900 0.248 0.000 1.314 549 G CA 0.327 45.603 45.100 0.293 0.000 0.915 549 G HN 2.405 nan 8.290 nan 0.000 0.499 550 F N -1.828 117.973 119.950 -0.247 0.000 2.773 550 F HA 0.867 5.393 4.527 -0.002 0.000 0.314 550 F C -1.150 174.435 175.800 -0.358 0.000 1.160 550 F CA -0.768 56.963 58.000 -0.448 0.000 0.920 550 F CB 1.944 40.556 39.000 -0.646 0.000 1.323 550 F HN 0.820 nan 8.300 nan 0.000 0.457 551 Q N 2.441 121.949 119.800 -0.487 0.000 2.263 551 Q HA 0.769 5.107 4.340 -0.003 0.000 0.266 551 Q C -2.147 173.762 176.000 -0.152 0.000 1.002 551 Q CA -0.873 54.697 55.803 -0.388 0.000 0.790 551 Q CB 2.263 30.853 28.738 -0.246 0.000 1.272 551 Q HN 1.288 nan 8.270 nan 0.000 0.435 552 A N 2.389 125.161 122.820 -0.080 0.000 2.317 552 A HA 0.958 5.277 4.320 -0.003 0.000 0.327 552 A C -0.231 177.392 177.584 0.064 0.000 1.178 552 A CA 0.128 52.207 52.037 0.070 0.000 0.817 552 A CB 1.513 20.480 19.000 -0.054 0.000 1.189 552 A HN 0.863 nan 8.150 nan 0.000 0.489 553 G N -0.979 107.908 108.800 0.144 0.000 2.766 553 G HA2 0.670 4.629 3.960 -0.003 0.000 0.288 553 G HA3 0.670 4.629 3.960 -0.003 0.000 0.288 553 G C -1.637 173.236 174.900 -0.045 0.000 1.408 553 G CA -0.433 44.667 45.100 0.001 0.000 0.852 553 G HN 1.598 nan 8.290 nan 0.000 0.487 554 V N -0.290 119.488 119.914 -0.228 0.000 3.000 554 V HA 0.718 4.836 4.120 -0.003 0.000 0.300 554 V C -1.610 174.278 176.094 -0.345 0.000 1.251 554 V CA -0.627 61.422 62.300 -0.418 0.000 0.972 554 V CB 1.870 33.255 31.823 -0.729 0.000 1.065 554 V HN 0.910 nan 8.190 nan 0.000 0.431 555 I N 3.974 124.326 120.570 -0.363 0.000 2.730 555 I HA 0.589 4.757 4.170 -0.003 0.000 0.298 555 I C -0.519 175.360 176.117 -0.396 0.000 1.089 555 I CA -0.962 60.136 61.300 -0.336 0.000 1.041 555 I CB 2.067 39.790 38.000 -0.463 0.000 1.235 555 I HN 0.753 nan 8.210 nan 0.000 0.423 556 K N 5.994 126.131 120.400 -0.438 0.000 2.378 556 K HA 0.507 4.825 4.320 -0.003 0.000 0.288 556 K C -0.402 175.976 176.600 -0.370 0.000 1.057 556 K CA 0.037 55.849 56.287 -0.792 0.000 0.971 556 K CB 0.762 32.963 32.500 -0.497 0.000 0.975 556 K HN 0.586 nan 8.250 nan 0.000 0.475 557 A N 4.869 127.465 122.820 -0.373 0.000 2.425 557 A HA 0.496 4.814 4.320 -0.003 0.000 0.242 557 A C 0.146 177.714 177.584 -0.027 0.000 1.077 557 A CA -0.082 51.888 52.037 -0.113 0.000 0.781 557 A CB -0.327 18.619 19.000 -0.090 0.000 1.020 557 A HN 0.892 nan 8.150 nan 0.000 0.494 558 I N -2.560 118.049 120.570 0.066 0.000 3.354 558 I HA 0.656 4.825 4.170 -0.003 0.000 0.316 558 I C -1.133 175.000 176.117 0.027 0.000 1.182 558 I CA -1.090 60.231 61.300 0.036 0.000 0.942 558 I CB 2.197 40.205 38.000 0.013 0.000 1.299 558 I HN 0.466 nan 8.210 nan 0.000 0.473 559 D N 0.804 121.204 120.400 -0.001 0.000 2.427 559 D HA 0.267 4.905 4.640 -0.003 0.000 0.226 559 D C 0.253 176.541 176.300 -0.019 0.000 1.076 559 D CA -0.181 53.818 54.000 -0.002 0.000 0.849 559 D CB 1.139 41.937 40.800 -0.004 0.000 1.052 559 D HN 0.526 nan 8.370 nan 0.000 0.515 560 D N 2.850 123.246 120.400 -0.007 0.000 2.126 560 D HA -0.199 4.439 4.640 -0.003 0.000 0.190 560 D C 0.879 177.158 176.300 -0.036 0.000 1.001 560 D CA 1.393 55.380 54.000 -0.020 0.000 0.841 560 D CB 0.161 40.963 40.800 0.003 0.000 0.949 560 D HN 0.558 nan 8.370 nan 0.000 0.446 561 D N -0.119 120.268 120.400 -0.023 0.000 2.084 561 D HA -0.141 4.498 4.640 -0.003 0.000 0.196 561 D C 1.960 178.239 176.300 -0.035 0.000 0.985 561 D CA 1.018 55.004 54.000 -0.025 0.000 0.826 561 D CB -0.439 40.353 40.800 -0.014 0.000 0.978 561 D HN 0.187 nan 8.370 nan 0.000 0.456 562 E N 1.018 121.198 120.200 -0.033 0.000 2.085 562 E HA -0.241 4.107 4.350 -0.003 0.000 0.194 562 E C 1.801 178.366 176.600 -0.058 0.000 0.994 562 E CA 1.436 57.813 56.400 -0.038 0.000 0.801 562 E CB -0.211 29.471 29.700 -0.030 0.000 0.743 562 E HN 0.087 nan 8.360 nan 0.000 0.453 563 E N -0.012 120.142 120.200 -0.077 0.000 2.204 563 E HA -0.040 4.309 4.350 -0.003 0.000 0.194 563 E C 1.991 178.521 176.600 -0.116 0.000 0.989 563 E CA 1.011 57.343 56.400 -0.114 0.000 0.824 563 E CB -0.301 29.302 29.700 -0.162 0.000 0.756 563 E HN 0.492 nan 8.360 nan 0.000 0.477 564 I N -0.359 120.156 120.570 -0.092 0.000 2.353 564 I HA -0.172 3.996 4.170 -0.003 0.000 0.248 564 I C 2.473 178.546 176.117 -0.072 0.000 1.119 564 I CA 0.655 61.905 61.300 -0.084 0.000 1.417 564 I CB -0.131 37.831 38.000 -0.063 0.000 1.078 564 I HN 0.055 nan 8.210 nan 0.000 0.421 565 R N 0.578 121.044 120.500 -0.058 0.000 2.062 565 R HA -0.192 4.146 4.340 -0.003 0.000 0.231 565 R C 2.152 178.420 176.300 -0.052 0.000 1.136 565 R CA 1.929 58.000 56.100 -0.047 0.000 0.948 565 R CB -0.480 29.799 30.300 -0.035 0.000 0.845 565 R HN 0.268 nan 8.270 nan 0.000 0.430 566 N N 0.475 119.140 118.700 -0.059 0.000 2.049 566 N HA -0.263 4.476 4.740 -0.003 0.000 0.198 566 N C 1.594 177.061 175.510 -0.073 0.000 1.030 566 N CA 2.301 55.313 53.050 -0.063 0.000 0.870 566 N CB -0.256 38.184 38.487 -0.078 0.000 1.045 566 N HN 0.286 nan 8.380 nan 0.000 0.434 567 A N 0.045 122.805 122.820 -0.100 0.000 1.883 567 A HA -0.049 4.269 4.320 -0.003 0.000 0.217 567 A C 2.379 179.911 177.584 -0.087 0.000 1.186 567 A CA 2.307 54.275 52.037 -0.116 0.000 0.624 567 A CB -1.419 17.496 19.000 -0.143 0.000 0.822 567 A HN 0.503 nan 8.150 nan 0.000 0.444 568 A N -0.355 122.421 122.820 -0.072 0.000 1.877 568 A HA -0.199 4.119 4.320 -0.003 0.000 0.216 568 A C 1.927 179.492 177.584 -0.032 0.000 1.186 568 A CA 1.808 53.812 52.037 -0.056 0.000 0.620 568 A CB -0.627 18.342 19.000 -0.051 0.000 0.822 568 A HN 0.643 nan 8.150 nan 0.000 0.443 569 E N -0.252 119.933 120.200 -0.025 0.000 2.058 569 E HA -0.170 4.179 4.350 -0.003 0.000 0.194 569 E C 1.958 178.570 176.600 0.019 0.000 0.997 569 E CA 1.291 57.687 56.400 -0.007 0.000 0.801 569 E CB -0.315 29.379 29.700 -0.010 0.000 0.746 569 E HN 0.603 nan 8.360 nan 0.000 0.450 570 L N 0.349 121.583 121.223 0.018 0.000 2.131 570 L HA -0.193 4.146 4.340 -0.003 0.000 0.210 570 L C 2.445 179.406 176.870 0.152 0.000 1.092 570 L CA 0.947 55.837 54.840 0.083 0.000 0.759 570 L CB -0.318 41.755 42.059 0.023 0.000 0.903 570 L HN 0.175 nan 8.230 nan 0.000 0.435 571 A N -0.405 122.434 122.820 0.032 0.000 1.970 571 A HA -0.029 4.289 4.320 -0.003 0.000 0.216 571 A C 2.499 180.124 177.584 0.069 0.000 1.170 571 A CA 1.230 53.277 52.037 0.016 0.000 0.645 571 A CB -0.519 18.447 19.000 -0.057 0.000 0.816 571 A HN 0.367 nan 8.150 nan 0.000 0.447 572 A N 0.242 123.088 122.820 0.043 0.000 1.972 572 A HA -0.128 4.190 4.320 -0.003 0.000 0.219 572 A C 1.834 179.442 177.584 0.040 0.000 1.169 572 A CA 1.550 53.604 52.037 0.029 0.000 0.635 572 A CB -0.364 18.640 19.000 0.006 0.000 0.810 572 A HN 0.505 nan 8.150 nan 0.000 0.446 573 K N -0.372 120.069 120.400 0.068 0.000 2.504 573 K HA 0.141 4.459 4.320 -0.003 0.000 0.199 573 K C -0.633 175.874 176.600 -0.155 0.000 1.028 573 K CA 0.115 56.388 56.287 -0.022 0.000 1.164 573 K CB -0.074 32.394 32.500 -0.053 0.000 0.877 573 K HN 0.645 nan 8.250 nan 0.000 0.508 574 H N -1.185 117.877 119.070 -0.012 0.000 2.907 574 H HA 0.141 4.695 4.556 -0.003 0.000 0.361 574 H C 0.196 175.518 175.328 -0.010 0.000 1.194 574 H CA -0.799 55.245 56.048 -0.006 0.000 1.152 574 H CB 1.445 31.206 29.762 -0.002 0.000 1.867 574 H HN -0.184 nan 8.280 nan 0.000 0.561 575 D N 0.645 121.119 120.400 0.123 0.000 2.085 575 D HA -0.009 4.630 4.640 -0.003 0.000 0.199 575 D C -0.223 176.104 176.300 0.046 0.000 0.981 575 D CA 1.443 55.478 54.000 0.058 0.000 0.834 575 D CB 0.296 41.121 40.800 0.042 0.000 0.992 575 D HN 0.267 nan 8.370 nan 0.000 0.457 576 K N -0.381 120.050 120.400 0.052 0.000 2.443 576 K HA 0.688 5.007 4.320 -0.003 0.000 0.252 576 K C -1.239 175.351 176.600 -0.017 0.000 0.933 576 K CA -0.561 55.728 56.287 0.004 0.000 0.792 576 K CB 2.920 35.411 32.500 -0.014 0.000 1.185 576 K HN -0.051 nan 8.250 nan 0.000 0.425 577 A N 2.343 125.130 122.820 -0.054 0.000 2.288 577 A HA 0.504 4.822 4.320 -0.003 0.000 0.320 577 A C -0.631 176.901 177.584 -0.087 0.000 1.217 577 A CA -0.652 51.330 52.037 -0.091 0.000 0.840 577 A CB 0.763 19.700 19.000 -0.105 0.000 1.179 577 A HN 0.438 nan 8.150 nan 0.000 0.504 578 V N 4.077 123.948 119.914 -0.072 0.000 2.333 578 V HA 0.249 4.367 4.120 -0.003 0.000 0.274 578 V C -0.498 175.565 176.094 -0.051 0.000 1.028 578 V CA -0.401 61.864 62.300 -0.058 0.000 0.851 578 V CB 0.820 32.628 31.823 -0.024 0.000 1.000 578 V HN 0.731 nan 8.190 nan 0.000 0.456 579 L N 7.623 128.796 121.223 -0.084 0.000 2.262 579 L HA 0.560 4.898 4.340 -0.003 0.000 0.288 579 L C -0.290 176.549 176.870 -0.052 0.000 1.035 579 L CA -0.081 54.706 54.840 -0.089 0.000 0.820 579 L CB 0.965 42.926 42.059 -0.162 0.000 1.204 579 L HN 0.411 nan 8.230 nan 0.000 0.424 580 I N 7.163 127.737 120.570 0.007 0.000 2.330 580 I HA 0.422 4.590 4.170 -0.003 0.000 0.289 580 I C 0.188 176.350 176.117 0.074 0.000 1.001 580 I CA -0.344 60.986 61.300 0.050 0.000 1.193 580 I CB 0.883 38.943 38.000 0.100 0.000 1.345 580 I HN 0.627 nan 8.210 nan 0.000 0.461 581 I N 2.332 122.956 120.570 0.090 0.000 3.516 581 I HA 1.060 5.229 4.170 -0.003 0.000 0.307 581 I C 0.280 176.501 176.117 0.174 0.000 1.157 581 I CA -0.735 60.644 61.300 0.131 0.000 0.983 581 I CB 2.185 40.267 38.000 0.137 0.000 1.351 581 I HN 0.654 nan 8.210 nan 0.000 0.484 582 G N 0.355 109.271 108.800 0.192 0.000 2.255 582 G HA2 0.097 4.056 3.960 -0.003 0.000 0.216 582 G HA3 0.097 4.056 3.960 -0.003 0.000 0.216 582 G C -1.286 173.721 174.900 0.178 0.000 1.307 582 G CA -0.478 44.744 45.100 0.204 0.000 1.162 582 G HN 0.727 nan 8.290 nan 0.000 0.494 583 L N 0.711 122.078 121.223 0.240 0.000 2.585 583 L HA 0.757 5.095 4.340 -0.003 0.000 0.260 583 L C 0.515 177.673 176.870 0.479 0.000 1.085 583 L CA -0.665 54.365 54.840 0.317 0.000 0.913 583 L CB 1.617 43.856 42.059 0.300 0.000 1.638 583 L HN 1.041 nan 8.230 nan 0.000 0.531 584 N N -2.260 116.739 118.700 0.498 0.000 3.039 584 N HA 0.212 4.950 4.740 -0.003 0.000 0.257 584 N C 0.179 175.628 175.510 -0.101 0.000 1.497 584 N CA -0.257 52.879 53.050 0.144 0.000 0.861 584 N CB 0.692 39.262 38.487 0.137 0.000 1.479 584 N HN 0.472 nan 8.380 nan 0.000 0.547 585 G N -1.287 107.292 108.800 -0.369 0.000 2.708 585 G HA2 -0.097 3.862 3.960 -0.003 0.000 0.210 585 G HA3 -0.097 3.862 3.960 -0.003 0.000 0.210 585 G C 0.377 175.107 174.900 -0.285 0.000 1.141 585 G CA 0.413 45.259 45.100 -0.424 0.000 0.788 585 G HN 0.682 nan 8.290 nan 0.000 0.531 586 E N -1.353 118.715 120.200 -0.221 0.000 2.413 586 E HA 0.053 4.401 4.350 -0.003 0.000 0.203 586 E C 1.641 178.139 176.600 -0.171 0.000 0.957 586 E CA -0.318 55.934 56.400 -0.247 0.000 0.950 586 E CB 0.125 29.626 29.700 -0.331 0.000 0.957 586 E HN 0.680 nan 8.360 nan 0.000 0.497 587 W N 1.803 123.129 121.300 0.044 0.000 2.523 587 W HA 0.077 4.735 4.660 -0.003 0.000 0.278 587 W C 0.735 177.299 176.519 0.074 0.000 1.236 587 W CA 0.051 57.463 57.345 0.113 0.000 1.306 587 W CB 0.611 30.139 29.460 0.112 0.000 1.101 587 W HN -0.183 nan 8.180 nan 0.000 0.577 588 E N 0.604 120.918 120.200 0.190 0.000 2.145 588 E HA 0.334 4.682 4.350 -0.003 0.000 0.262 588 E C -0.660 175.884 176.600 -0.093 0.000 0.883 588 E CA -0.138 56.332 56.400 0.116 0.000 0.748 588 E CB 1.889 31.699 29.700 0.183 0.000 1.140 588 E HN -0.342 nan 8.360 nan 0.000 0.417 589 T N 1.632 116.158 114.554 -0.047 0.000 2.942 589 T HA 0.072 4.420 4.350 -0.003 0.000 0.327 589 T C -1.260 173.444 174.700 0.007 0.000 1.360 589 T CA -0.768 61.290 62.100 -0.071 0.000 1.055 589 T CB 1.439 70.085 68.868 -0.369 0.000 1.261 589 T HN 0.519 nan 8.240 nan 0.000 0.485 590 E N 1.415 121.729 120.200 0.190 0.000 2.608 590 E HA 0.307 4.655 4.350 -0.003 0.000 0.259 590 E C 1.176 177.859 176.600 0.139 0.000 0.951 590 E CA 1.719 58.242 56.400 0.205 0.000 0.945 590 E CB -0.292 29.630 29.700 0.371 0.000 0.916 590 E HN 1.052 nan 8.360 nan 0.000 0.477 591 G N 3.180 112.068 108.800 0.146 0.000 2.481 591 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.200 591 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.200 591 G C -0.772 174.276 174.900 0.246 0.000 1.012 591 G CA 0.024 45.262 45.100 0.231 0.000 0.676 591 G HN 0.749 nan 8.290 nan 0.000 0.488 592 Y N -0.053 120.324 120.300 0.129 0.000 2.689 592 Y HA 0.787 5.335 4.550 -0.003 0.000 0.333 592 Y C -1.156 174.829 175.900 0.143 0.000 1.208 592 Y CA -1.574 56.591 58.100 0.107 0.000 1.055 592 Y CB 0.463 38.971 38.460 0.081 0.000 1.304 592 Y HN -0.006 nan 8.280 nan 0.000 0.455 593 D N 0.734 121.339 120.400 0.342 0.000 2.385 593 D HA 0.382 5.020 4.640 -0.003 0.000 0.254 593 D C -0.505 176.016 176.300 0.369 0.000 1.053 593 D CA -0.783 53.399 54.000 0.304 0.000 0.992 593 D CB 1.325 42.306 40.800 0.301 0.000 1.145 593 D HN 0.512 nan 8.370 nan 0.000 0.523 594 R N 0.509 121.196 120.500 0.310 0.000 2.694 594 R HA 0.082 4.420 4.340 -0.003 0.000 0.268 594 R C 0.868 177.298 176.300 0.217 0.000 1.061 594 R CA 0.032 56.298 56.100 0.277 0.000 1.133 594 R CB 0.829 31.245 30.300 0.194 0.000 1.020 594 R HN 0.491 nan 8.270 nan 0.000 0.475 595 E N 0.631 120.941 120.200 0.184 0.000 2.340 595 E HA -0.061 4.287 4.350 -0.003 0.000 0.194 595 E C -0.298 176.357 176.600 0.092 0.000 0.996 595 E CA 0.467 56.946 56.400 0.131 0.000 0.869 595 E CB 0.236 30.006 29.700 0.118 0.000 0.835 595 E HN 0.592 nan 8.360 nan 0.000 0.493 596 N N -1.872 116.869 118.700 0.069 0.000 3.106 596 N HA 0.152 4.890 4.740 -0.003 0.000 0.253 596 N C -0.440 175.055 175.510 -0.025 0.000 1.506 596 N CA -0.653 52.413 53.050 0.028 0.000 0.876 596 N CB 0.336 38.832 38.487 0.015 0.000 1.452 596 N HN -0.213 nan 8.380 nan 0.000 0.542 597 M N -0.210 119.348 119.600 -0.070 0.000 2.431 597 M HA 0.210 4.689 4.480 -0.003 0.000 0.237 597 M C -0.850 175.352 176.300 -0.163 0.000 1.130 597 M CA -0.156 55.058 55.300 -0.142 0.000 1.002 597 M CB -0.098 32.388 32.600 -0.189 0.000 1.524 597 M HN 0.432 nan 8.290 nan 0.000 0.482 598 D N 1.343 121.666 120.400 -0.128 0.000 2.372 598 D HA 0.182 4.821 4.640 -0.003 0.000 0.243 598 D C -0.067 176.132 176.300 -0.168 0.000 1.121 598 D CA 0.133 54.054 54.000 -0.131 0.000 0.898 598 D CB 1.034 41.773 40.800 -0.102 0.000 1.202 598 D HN 0.170 nan 8.370 nan 0.000 0.428 599 L N 2.846 124.000 121.223 -0.115 0.000 2.452 599 L HA 0.211 4.549 4.340 -0.003 0.000 0.267 599 L C -1.809 174.951 176.870 -0.184 0.000 1.188 599 L CA -1.317 53.459 54.840 -0.106 0.000 0.821 599 L CB 0.118 42.220 42.059 0.072 0.000 1.102 599 L HN 0.220 nan 8.230 nan 0.000 0.470 600 P HA 0.274 nan 4.420 nan 0.000 0.281 600 P C -0.551 176.688 177.300 -0.100 0.000 1.249 600 P CA -0.549 62.348 63.100 -0.339 0.000 0.810 600 P CB 1.366 32.712 31.700 -0.591 0.000 1.008 601 K N 0.147 120.515 120.400 -0.053 0.000 1.779 601 K HA -0.259 4.059 4.320 -0.003 0.000 0.128 601 K C 1.197 177.805 176.600 0.014 0.000 1.288 601 K CA 1.390 57.683 56.287 0.011 0.000 0.398 601 K CB -1.233 31.289 32.500 0.036 0.000 0.609 601 K HN 0.466 nan 8.250 nan 0.000 0.874 602 R N 1.101 121.614 120.500 0.022 0.000 2.393 602 R HA 0.109 4.447 4.340 -0.003 0.000 0.244 602 R C 1.601 177.918 176.300 0.029 0.000 0.920 602 R CA 0.533 56.646 56.100 0.022 0.000 1.076 602 R CB 0.161 30.466 30.300 0.009 0.000 1.119 602 R HN 0.453 nan 8.270 nan 0.000 0.524 603 T N 2.053 116.631 114.554 0.040 0.000 2.602 603 T HA -0.226 4.122 4.350 -0.003 0.000 0.264 603 T C 1.487 176.253 174.700 0.111 0.000 1.085 603 T CA 1.943 64.085 62.100 0.069 0.000 1.164 603 T CB -0.224 68.700 68.868 0.093 0.000 0.860 603 T HN 0.301 nan 8.240 nan 0.000 0.442 604 N N 0.548 119.357 118.700 0.182 0.000 2.309 604 N HA -0.051 4.688 4.740 -0.003 0.000 0.182 604 N C 1.862 177.472 175.510 0.166 0.000 1.018 604 N CA 0.646 53.879 53.050 0.305 0.000 0.876 604 N CB -0.280 38.403 38.487 0.326 0.000 0.972 604 N HN 0.572 nan 8.380 nan 0.000 0.434 605 E N 0.356 120.606 120.200 0.083 0.000 2.072 605 E HA -0.124 4.225 4.350 -0.003 0.000 0.190 605 E C 1.864 178.455 176.600 -0.014 0.000 0.982 605 E CA 0.457 56.880 56.400 0.037 0.000 0.803 605 E CB 0.041 29.755 29.700 0.023 0.000 0.755 605 E HN 0.129 nan 8.360 nan 0.000 0.453 606 L N 0.616 121.819 121.223 -0.034 0.000 1.994 606 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 606 L C 2.261 179.044 176.870 -0.145 0.000 1.071 606 L CA 1.439 56.230 54.840 -0.082 0.000 0.745 606 L CB -0.629 41.383 42.059 -0.079 0.000 0.892 606 L HN -0.040 nan 8.230 nan 0.000 0.431 607 V N 0.242 120.032 119.914 -0.207 0.000 2.282 607 V HA -0.334 3.785 4.120 -0.003 0.000 0.249 607 V C 2.791 178.653 176.094 -0.386 0.000 1.057 607 V CA 2.318 64.345 62.300 -0.456 0.000 1.032 607 V CB -0.819 30.420 31.823 -0.973 0.000 0.645 607 V HN 0.476 nan 8.190 nan 0.000 0.447 608 R N -0.284 120.087 120.500 -0.215 0.000 2.105 608 R HA -0.145 4.193 4.340 -0.003 0.000 0.239 608 R C 2.391 178.638 176.300 -0.088 0.000 1.135 608 R CA 1.490 57.533 56.100 -0.095 0.000 0.967 608 R CB -0.504 29.812 30.300 0.026 0.000 0.861 608 R HN 0.577 nan 8.270 nan 0.000 0.442 609 A N 0.384 123.150 122.820 -0.089 0.000 1.872 609 A HA -0.077 4.241 4.320 -0.003 0.000 0.214 609 A C 2.316 179.845 177.584 -0.092 0.000 1.187 609 A CA 1.079 53.072 52.037 -0.074 0.000 0.614 609 A CB -0.454 18.506 19.000 -0.066 0.000 0.826 609 A HN 0.101 nan 8.150 nan 0.000 0.442 610 V N 0.391 120.228 119.914 -0.128 0.000 2.295 610 V HA -0.271 3.847 4.120 -0.003 0.000 0.246 610 V C 2.582 178.598 176.094 -0.130 0.000 1.049 610 V CA 1.960 64.180 62.300 -0.133 0.000 1.024 610 V CB -0.838 30.885 31.823 -0.167 0.000 0.648 610 V HN 0.557 nan 8.190 nan 0.000 0.447 611 L N -0.335 120.790 121.223 -0.163 0.000 2.042 611 L HA -0.257 4.081 4.340 -0.003 0.000 0.210 611 L C 2.606 179.429 176.870 -0.078 0.000 1.076 611 L CA 2.067 56.825 54.840 -0.136 0.000 0.749 611 L CB -0.602 41.363 42.059 -0.157 0.000 0.893 611 L HN 0.325 nan 8.230 nan 0.000 0.432 612 K N 0.173 120.535 120.400 -0.064 0.000 2.026 612 K HA -0.173 4.146 4.320 -0.003 0.000 0.208 612 K C 1.998 178.576 176.600 -0.037 0.000 1.048 612 K CA 1.469 57.733 56.287 -0.039 0.000 0.929 612 K CB -0.107 32.375 32.500 -0.030 0.000 0.713 612 K HN 0.280 nan 8.250 nan 0.000 0.439 613 A N 0.407 123.201 122.820 -0.045 0.000 2.167 613 A HA -0.034 4.285 4.320 -0.003 0.000 0.214 613 A C 0.540 178.105 177.584 -0.031 0.000 1.151 613 A CA 0.690 52.706 52.037 -0.035 0.000 0.735 613 A CB -0.022 18.955 19.000 -0.037 0.000 0.802 613 A HN 0.383 nan 8.150 nan 0.000 0.467 614 N N -1.427 117.248 118.700 -0.043 0.000 2.793 614 N HA 0.199 4.937 4.740 -0.003 0.000 0.251 614 N C -2.819 172.662 175.510 -0.048 0.000 1.308 614 N CA -1.192 51.836 53.050 -0.037 0.000 0.781 614 N CB 1.203 39.670 38.487 -0.033 0.000 1.439 614 N HN -0.237 nan 8.380 nan 0.000 0.562 615 P HA -0.097 nan 4.420 nan 0.000 0.217 615 P C 0.225 177.498 177.300 -0.044 0.000 1.151 615 P CA 1.267 64.345 63.100 -0.037 0.000 0.849 615 P CB 0.232 31.918 31.700 -0.023 0.000 0.787 616 N N -0.750 117.926 118.700 -0.040 0.000 2.509 616 N HA 0.018 4.756 4.740 -0.003 0.000 0.239 616 N C -0.079 175.395 175.510 -0.060 0.000 1.215 616 N CA 0.591 53.615 53.050 -0.044 0.000 0.882 616 N CB -0.581 37.887 38.487 -0.032 0.000 1.189 616 N HN 0.155 nan 8.380 nan 0.000 0.490 617 T N 0.463 114.970 114.554 -0.080 0.000 2.897 617 T HA 0.145 4.493 4.350 -0.003 0.000 0.294 617 T C 0.244 174.875 174.700 -0.115 0.000 1.004 617 T CA -0.322 61.716 62.100 -0.104 0.000 1.106 617 T CB 2.229 71.015 68.868 -0.138 0.000 0.949 617 T HN -0.054 nan 8.240 nan 0.000 0.520 618 V N 5.923 125.768 119.914 -0.115 0.000 2.350 618 V HA 0.522 4.641 4.120 -0.003 0.000 0.276 618 V C -0.447 175.563 176.094 -0.139 0.000 1.028 618 V CA -0.756 61.472 62.300 -0.121 0.000 0.860 618 V CB 0.133 31.889 31.823 -0.112 0.000 0.990 618 V HN 0.774 nan 8.190 nan 0.000 0.453 619 I N 7.276 127.745 120.570 -0.168 0.000 2.312 619 I HA 0.344 4.512 4.170 -0.003 0.000 0.291 619 I C -0.285 175.745 176.117 -0.146 0.000 1.031 619 I CA -0.444 60.746 61.300 -0.183 0.000 1.293 619 I CB 1.587 39.423 38.000 -0.272 0.000 1.403 619 I HN 0.339 nan 8.210 nan 0.000 0.484 620 V N 5.885 125.742 119.914 -0.094 0.000 2.333 620 V HA 0.240 4.358 4.120 -0.003 0.000 0.274 620 V C -0.051 176.027 176.094 -0.027 0.000 1.028 620 V CA -0.634 61.623 62.300 -0.072 0.000 0.851 620 V CB 1.195 33.000 31.823 -0.031 0.000 1.000 620 V HN 0.700 nan 8.190 nan 0.000 0.456 621 N N 4.152 122.828 118.700 -0.040 0.000 2.419 621 N HA 0.394 5.133 4.740 -0.003 0.000 0.277 621 N C -0.570 174.952 175.510 0.021 0.000 1.006 621 N CA -0.470 52.619 53.050 0.065 0.000 0.923 621 N CB 1.187 39.801 38.487 0.211 0.000 1.140 621 N HN 0.703 nan 8.380 nan 0.000 0.488 622 Q N 1.778 121.627 119.800 0.081 0.000 2.347 622 Q HA 0.505 4.843 4.340 -0.003 0.000 0.262 622 Q C -1.047 174.952 176.000 -0.002 0.000 0.980 622 Q CA -0.792 55.031 55.803 0.032 0.000 0.867 622 Q CB 1.377 30.215 28.738 0.168 0.000 1.242 622 Q HN 0.691 nan 8.270 nan 0.000 0.453 623 S N -0.278 115.278 115.700 -0.240 0.000 2.588 623 S HA 0.583 5.051 4.470 -0.003 0.000 0.269 623 S C 0.309 174.718 174.600 -0.318 0.000 1.157 623 S CA -0.449 57.605 58.200 -0.244 0.000 0.824 623 S CB 1.074 64.307 63.200 0.055 0.000 1.126 623 S HN 0.580 nan 8.310 nan 0.000 0.464 624 G N 0.383 109.144 108.800 -0.065 0.000 2.683 624 G HA2 0.411 4.369 3.960 -0.003 0.000 0.213 624 G HA3 0.411 4.369 3.960 -0.003 0.000 0.213 624 G C 0.484 175.634 174.900 0.416 0.000 1.142 624 G CA 0.810 46.092 45.100 0.304 0.000 0.793 624 G HN 1.368 nan 8.290 nan 0.000 0.534 625 T N -2.859 111.830 114.554 0.225 0.000 2.841 625 T HA 0.587 4.936 4.350 -0.003 0.000 0.296 625 T C -3.439 171.039 174.700 -0.369 0.000 1.166 625 T CA -1.880 60.251 62.100 0.051 0.000 1.007 625 T CB 2.346 71.244 68.868 0.050 0.000 1.253 625 T HN -0.222 nan 8.240 nan 0.000 0.511 626 P HA 0.350 nan 4.420 nan 0.000 0.268 626 P C -0.447 176.287 177.300 -0.943 0.000 1.205 626 P CA -0.394 61.679 63.100 -1.711 0.000 0.771 626 P CB 0.435 31.214 31.700 -1.534 0.000 0.858 627 V N -0.555 118.846 119.914 -0.855 0.000 2.960 627 V HA 0.514 4.632 4.120 -0.003 0.000 0.315 627 V C -0.140 175.559 176.094 -0.658 0.000 1.087 627 V CA -1.096 60.887 62.300 -0.528 0.000 0.982 627 V CB 1.955 33.606 31.823 -0.287 0.000 1.039 627 V HN 0.368 nan 8.190 nan 0.000 0.437 628 E N 1.127 121.039 120.200 -0.479 0.000 2.289 628 E HA 0.389 4.737 4.350 -0.003 0.000 0.278 628 E C -1.664 174.614 176.600 -0.537 0.000 1.032 628 E CA -0.448 55.700 56.400 -0.420 0.000 0.854 628 E CB 0.899 30.454 29.700 -0.242 0.000 1.046 628 E HN 0.616 nan 8.360 nan 0.000 0.409 629 F N 6.154 125.927 119.950 -0.296 0.000 2.307 629 F HA 0.280 4.806 4.527 -0.003 0.000 0.369 629 F C -1.652 173.611 175.800 -0.896 0.000 1.076 629 F CA -2.559 54.881 58.000 -0.933 0.000 1.149 629 F CB 1.079 39.446 39.000 -1.056 0.000 1.410 629 F HN 0.402 nan 8.300 nan 0.000 0.481 630 P HA -0.130 nan 4.420 nan 0.000 0.220 630 P C 1.096 178.298 177.300 -0.163 0.000 1.148 630 P CA 1.193 64.120 63.100 -0.287 0.000 0.803 630 P CB -0.001 31.614 31.700 -0.142 0.000 0.782 631 W N -1.227 120.142 121.300 0.116 0.000 3.391 631 W HA 0.353 5.011 4.660 -0.003 0.000 0.372 631 W C 0.706 177.267 176.519 0.070 0.000 1.171 631 W CA -0.694 56.692 57.345 0.069 0.000 1.862 631 W CB -0.955 28.534 29.460 0.048 0.000 1.048 631 W HN -0.134 nan 8.180 nan 0.000 0.726 632 L N 2.222 123.528 121.223 0.139 0.000 2.042 632 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 632 L C 2.581 179.583 176.870 0.219 0.000 1.076 632 L CA 2.389 57.351 54.840 0.203 0.000 0.749 632 L CB -0.863 41.261 42.059 0.107 0.000 0.893 632 L HN 0.049 nan 8.230 nan 0.000 0.432 633 E N -0.982 119.305 120.200 0.144 0.000 2.209 633 E HA -0.225 4.123 4.350 -0.003 0.000 0.196 633 E C 1.107 177.772 176.600 0.107 0.000 0.993 633 E CA 1.448 57.905 56.400 0.096 0.000 0.819 633 E CB 0.025 29.755 29.700 0.049 0.000 0.745 633 E HN 0.548 nan 8.360 nan 0.000 0.477 634 D N -0.608 119.884 120.400 0.153 0.000 2.349 634 D HA 0.138 4.776 4.640 -0.003 0.000 0.214 634 D C -0.526 175.830 176.300 0.095 0.000 1.063 634 D CA 0.250 54.316 54.000 0.110 0.000 0.847 634 D CB 0.626 41.489 40.800 0.105 0.000 0.933 634 D HN 0.141 nan 8.370 nan 0.000 0.513 635 A N 0.575 123.490 122.820 0.158 0.000 2.276 635 A HA 0.336 4.654 4.320 -0.003 0.000 0.300 635 A C 0.702 178.315 177.584 0.049 0.000 1.235 635 A CA -0.474 51.612 52.037 0.082 0.000 0.867 635 A CB 0.211 19.322 19.000 0.185 0.000 1.137 635 A HN 0.010 nan 8.150 nan 0.000 0.527 636 N N 1.143 119.842 118.700 -0.003 0.000 2.392 636 N HA 0.295 5.033 4.740 -0.003 0.000 0.177 636 N C 0.164 175.665 175.510 -0.015 0.000 1.066 636 N CA 0.730 53.780 53.050 -0.000 0.000 0.895 636 N CB 0.456 38.937 38.487 -0.011 0.000 0.988 636 N HN 0.706 nan 8.380 nan 0.000 0.457 637 A N 1.032 123.824 122.820 -0.046 0.000 2.385 637 A HA 0.602 4.920 4.320 -0.003 0.000 0.290 637 A C -1.759 175.761 177.584 -0.106 0.000 1.094 637 A CA -0.419 51.579 52.037 -0.065 0.000 0.729 637 A CB 0.994 19.952 19.000 -0.069 0.000 1.194 637 A HN 0.098 nan 8.150 nan 0.000 0.442 638 L N 3.306 124.448 121.223 -0.135 0.000 2.406 638 L HA 0.757 5.096 4.340 -0.003 0.000 0.272 638 L C -1.479 175.227 176.870 -0.274 0.000 0.980 638 L CA -0.373 54.336 54.840 -0.218 0.000 0.831 638 L CB 2.075 43.984 42.059 -0.251 0.000 1.253 638 L HN 0.422 nan 8.230 nan 0.000 0.406 639 V N 4.356 124.114 119.914 -0.260 0.000 2.444 639 V HA 0.456 4.574 4.120 -0.003 0.000 0.294 639 V C -0.454 175.459 176.094 -0.302 0.000 1.022 639 V CA -0.593 61.550 62.300 -0.260 0.000 0.850 639 V CB 1.644 33.365 31.823 -0.171 0.000 0.992 639 V HN 0.802 nan 8.190 nan 0.000 0.426 640 Q N 3.911 123.458 119.800 -0.421 0.000 2.349 640 Q HA 0.590 4.928 4.340 -0.003 0.000 0.254 640 Q C 0.388 176.053 176.000 -0.560 0.000 0.980 640 Q CA 0.365 55.828 55.803 -0.568 0.000 0.924 640 Q CB 1.494 29.687 28.738 -0.908 0.000 1.209 640 Q HN 0.853 nan 8.270 nan 0.000 0.445 641 A N 4.112 126.717 122.820 -0.359 0.000 2.343 641 A HA 0.326 4.644 4.320 -0.003 0.000 0.223 641 A C -0.341 177.287 177.584 0.073 0.000 1.214 641 A CA -0.119 51.853 52.037 -0.108 0.000 0.900 641 A CB -0.468 18.530 19.000 -0.003 0.000 0.942 641 A HN 0.949 nan 8.150 nan 0.000 0.507 642 W N -2.397 118.882 121.300 -0.035 0.000 2.612 642 W HA -0.314 4.344 4.660 -0.003 0.000 0.192 642 W C -0.437 175.950 176.519 -0.219 0.000 0.646 642 W CA 0.789 58.041 57.345 -0.156 0.000 0.687 642 W CB -1.218 28.232 29.460 -0.016 0.000 1.270 642 W HN 0.262 nan 8.180 nan 0.000 0.372 643 Y N 1.544 122.084 120.300 0.399 0.000 2.587 643 Y HA 0.513 5.062 4.550 -0.003 0.000 0.328 643 Y C 1.033 177.052 175.900 0.199 0.000 0.980 643 Y CA -0.817 57.420 58.100 0.228 0.000 1.272 643 Y CB 0.678 39.226 38.460 0.147 0.000 1.094 643 Y HN 0.493 nan 8.280 nan 0.000 0.503 644 G N 1.176 110.164 108.800 0.314 0.000 3.026 644 G HA2 0.379 4.337 3.960 -0.003 0.000 0.208 644 G HA3 0.379 4.337 3.960 -0.003 0.000 0.208 644 G C 0.962 175.956 174.900 0.157 0.000 1.169 644 G CA 0.375 45.610 45.100 0.224 0.000 0.788 644 G HN 1.063 nan 8.290 nan 0.000 0.533 645 G N 0.614 109.503 108.800 0.148 0.000 2.562 645 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.250 645 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.250 645 G C 0.884 175.790 174.900 0.009 0.000 1.269 645 G CA 0.172 45.308 45.100 0.061 0.000 0.919 645 G HN 0.243 nan 8.290 nan 0.000 0.574 646 N N 0.991 119.636 118.700 -0.091 0.000 2.043 646 N HA -0.047 4.691 4.740 -0.003 0.000 0.193 646 N C 1.697 177.230 175.510 0.037 0.000 1.037 646 N CA 1.745 54.697 53.050 -0.163 0.000 0.851 646 N CB -0.194 38.017 38.487 -0.462 0.000 1.027 646 N HN 0.601 nan 8.380 nan 0.000 0.422 647 E N 0.992 121.234 120.200 0.071 0.000 2.359 647 E HA 0.018 4.366 4.350 -0.003 0.000 0.187 647 E C 1.587 178.261 176.600 0.123 0.000 1.081 647 E CA -0.189 56.302 56.400 0.151 0.000 0.929 647 E CB -0.189 29.583 29.700 0.120 0.000 1.086 647 E HN 0.387 nan 8.360 nan 0.000 0.462 648 L N -1.914 119.381 121.223 0.120 0.000 2.079 648 L HA 0.005 4.343 4.340 -0.003 0.000 0.210 648 L C 1.967 178.913 176.870 0.127 0.000 1.081 648 L CA 2.369 57.287 54.840 0.130 0.000 0.752 648 L CB -1.140 41.009 42.059 0.150 0.000 0.896 648 L HN 0.031 nan 8.230 nan 0.000 0.433 649 G N -0.354 108.522 108.800 0.127 0.000 2.402 649 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.216 649 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.216 649 G C 1.381 176.339 174.900 0.098 0.000 1.162 649 G CA 0.720 45.888 45.100 0.114 0.000 0.777 649 G HN 0.483 nan 8.290 nan 0.000 0.539 650 N N 1.091 119.849 118.700 0.097 0.000 2.331 650 N HA 0.014 4.752 4.740 -0.003 0.000 0.180 650 N C 2.392 177.955 175.510 0.088 0.000 1.019 650 N CA 0.997 54.095 53.050 0.080 0.000 0.881 650 N CB -0.263 38.267 38.487 0.072 0.000 0.972 650 N HN 0.309 nan 8.380 nan 0.000 0.435 651 A N 1.094 123.971 122.820 0.095 0.000 1.873 651 A HA -0.010 4.308 4.320 -0.003 0.000 0.215 651 A C 2.306 179.945 177.584 0.091 0.000 1.186 651 A CA 0.738 52.830 52.037 0.093 0.000 0.616 651 A CB -0.568 18.492 19.000 0.100 0.000 0.823 651 A HN 0.159 nan 8.150 nan 0.000 0.442 652 I N -0.220 120.406 120.570 0.093 0.000 2.142 652 I HA -0.297 3.871 4.170 -0.003 0.000 0.240 652 I C 3.034 179.207 176.117 0.093 0.000 1.078 652 I CA 1.036 62.383 61.300 0.079 0.000 1.343 652 I CB -0.405 37.643 38.000 0.080 0.000 1.046 652 I HN 0.372 nan 8.210 nan 0.000 0.405 653 A N 0.797 123.692 122.820 0.124 0.000 1.869 653 A HA -0.341 3.977 4.320 -0.003 0.000 0.218 653 A C 1.945 179.662 177.584 0.222 0.000 1.203 653 A CA 2.576 54.734 52.037 0.201 0.000 0.638 653 A CB -0.963 18.128 19.000 0.153 0.000 0.831 653 A HN 0.397 nan 8.150 nan 0.000 0.450 654 D N -0.660 119.829 120.400 0.149 0.000 2.126 654 D HA -0.143 4.495 4.640 -0.003 0.000 0.190 654 D C 1.976 178.367 176.300 0.151 0.000 1.001 654 D CA 1.682 55.767 54.000 0.142 0.000 0.841 654 D CB -0.581 40.281 40.800 0.103 0.000 0.949 654 D HN 0.218 nan 8.370 nan 0.000 0.446 655 V N 0.510 120.486 119.914 0.103 0.000 2.407 655 V HA -0.129 3.990 4.120 -0.003 0.000 0.245 655 V C 2.577 178.731 176.094 0.100 0.000 1.041 655 V CA 0.761 63.100 62.300 0.065 0.000 1.040 655 V CB -0.300 31.517 31.823 -0.010 0.000 0.671 655 V HN 0.218 nan 8.190 nan 0.000 0.455 656 L N -1.305 119.943 121.223 0.041 0.000 2.081 656 L HA -0.233 4.105 4.340 -0.003 0.000 0.212 656 L C 2.100 178.833 176.870 -0.228 0.000 1.080 656 L CA 1.989 56.766 54.840 -0.105 0.000 0.754 656 L CB -0.382 41.569 42.059 -0.180 0.000 0.893 656 L HN 0.403 nan 8.230 nan 0.000 0.433 657 Y N -1.439 118.905 120.300 0.075 0.000 2.458 657 Y HA 0.221 4.769 4.550 -0.003 0.000 0.256 657 Y C 1.695 177.645 175.900 0.083 0.000 1.159 657 Y CA 0.441 58.574 58.100 0.055 0.000 1.261 657 Y CB 0.896 39.380 38.460 0.039 0.000 1.119 657 Y HN 0.219 nan 8.280 nan 0.000 0.524 658 G N -0.158 108.796 108.800 0.255 0.000 2.175 658 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.244 658 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.244 658 G C 0.837 175.890 174.900 0.255 0.000 0.982 658 G CA 0.551 45.811 45.100 0.267 0.000 0.641 658 G HN 0.344 nan 8.290 nan 0.000 0.527 659 D N -0.253 120.274 120.400 0.212 0.000 2.144 659 D HA 0.046 4.684 4.640 -0.003 0.000 0.199 659 D C 1.189 177.577 176.300 0.148 0.000 0.984 659 D CA 1.385 55.485 54.000 0.165 0.000 0.834 659 D CB 0.263 41.140 40.800 0.128 0.000 0.955 659 D HN 0.369 nan 8.370 nan 0.000 0.465 660 V N 1.629 121.624 119.914 0.134 0.000 2.448 660 V HA 0.168 4.286 4.120 -0.003 0.000 0.295 660 V C 0.116 176.250 176.094 0.067 0.000 1.025 660 V CA -0.747 61.614 62.300 0.103 0.000 0.859 660 V CB 2.451 34.319 31.823 0.075 0.000 0.988 660 V HN -0.239 nan 8.190 nan 0.000 0.431 661 V N 8.029 127.968 119.914 0.043 0.000 2.455 661 V HA 0.207 4.325 4.120 -0.003 0.000 0.273 661 V C -2.062 173.897 176.094 -0.225 0.000 1.045 661 V CA -1.618 60.612 62.300 -0.116 0.000 0.976 661 V CB 1.109 32.909 31.823 -0.040 0.000 0.993 661 V HN 0.769 nan 8.190 nan 0.000 0.475 662 P HA 0.022 nan 4.420 nan 0.000 0.261 662 P C 0.025 177.192 177.300 -0.222 0.000 1.173 662 P CA 0.517 63.413 63.100 -0.340 0.000 0.760 662 P CB 0.188 31.578 31.700 -0.517 0.000 0.783 663 N N 0.664 119.290 118.700 -0.124 0.000 2.036 663 N HA 0.134 4.872 4.740 -0.003 0.000 0.228 663 N C 0.653 176.118 175.510 -0.074 0.000 1.368 663 N CA -0.522 52.475 53.050 -0.088 0.000 0.846 663 N CB 0.122 38.590 38.487 -0.031 0.000 1.145 663 N HN 0.377 nan 8.380 nan 0.000 0.502 664 G N 0.555 109.332 108.800 -0.038 0.000 2.606 664 G HA2 0.442 4.400 3.960 -0.003 0.000 0.252 664 G HA3 0.442 4.400 3.960 -0.003 0.000 0.252 664 G C -0.516 174.348 174.900 -0.060 0.000 1.206 664 G CA -0.238 44.875 45.100 0.022 0.000 0.861 664 G HN 0.026 nan 8.290 nan 0.000 0.561 665 K N 0.362 120.737 120.400 -0.043 0.000 2.385 665 K HA 0.335 4.653 4.320 -0.003 0.000 0.248 665 K C -0.232 176.428 176.600 0.100 0.000 0.955 665 K CA -0.877 55.308 56.287 -0.170 0.000 0.816 665 K CB 2.472 34.553 32.500 -0.698 0.000 1.250 665 K HN 0.344 nan 8.250 nan 0.000 0.434 666 L N 2.188 123.475 121.223 0.107 0.000 2.559 666 L HA -0.068 4.270 4.340 -0.003 0.000 0.274 666 L C 1.475 178.473 176.870 0.214 0.000 1.205 666 L CA 0.226 55.247 54.840 0.301 0.000 0.907 666 L CB 0.232 42.474 42.059 0.305 0.000 1.153 666 L HN 0.799 nan 8.230 nan 0.000 0.490 667 S N 3.626 119.510 115.700 0.306 0.000 2.527 667 S HA 0.197 4.666 4.470 -0.003 0.000 0.222 667 S C 0.357 175.253 174.600 0.493 0.000 0.985 667 S CA -0.085 58.258 58.200 0.237 0.000 0.921 667 S CB -0.069 63.147 63.200 0.028 0.000 0.772 667 S HN 0.465 nan 8.310 nan 0.000 0.529 668 L N 1.059 122.610 121.223 0.546 0.000 2.370 668 L HA 0.504 4.843 4.340 -0.003 0.000 0.266 668 L C -0.354 176.861 176.870 0.576 0.000 1.002 668 L CA -0.832 54.344 54.840 0.560 0.000 0.818 668 L CB 2.059 44.379 42.059 0.435 0.000 1.325 668 L HN -0.094 nan 8.230 nan 0.000 0.418 669 S N 0.835 116.851 115.700 0.527 0.000 2.549 669 S HA 0.111 4.579 4.470 -0.003 0.000 0.283 669 S C -0.830 173.933 174.600 0.272 0.000 1.320 669 S CA -0.242 58.202 58.200 0.407 0.000 1.058 669 S CB 0.426 63.899 63.200 0.455 0.000 0.882 669 S HN 0.479 nan 8.310 nan 0.000 0.498 670 W N 6.718 128.002 121.300 -0.026 0.000 2.406 670 W HA 0.274 4.932 4.660 -0.003 0.000 0.308 670 W C -2.816 173.513 176.519 -0.317 0.000 0.965 670 W CA -2.488 54.804 57.345 -0.089 0.000 1.589 670 W CB 0.898 30.383 29.460 0.041 0.000 1.417 670 W HN 0.498 nan 8.180 nan 0.000 0.415 671 P HA 0.023 nan 4.420 nan 0.000 0.273 671 P C 0.759 177.882 177.300 -0.295 0.000 1.250 671 P CA 0.124 63.003 63.100 -0.369 0.000 0.793 671 P CB 1.072 32.660 31.700 -0.186 0.000 1.011 672 F N -0.427 119.437 119.950 -0.144 0.000 2.128 672 F HA -0.009 4.516 4.527 -0.003 0.000 0.295 672 F C 1.611 177.320 175.800 -0.151 0.000 1.100 672 F CA 1.752 59.671 58.000 -0.136 0.000 1.260 672 F CB -0.258 38.660 39.000 -0.136 0.000 1.009 672 F HN 0.084 nan 8.300 nan 0.000 0.476 673 K N -0.170 120.265 120.400 0.060 0.000 2.395 673 K HA 0.274 4.592 4.320 -0.003 0.000 0.247 673 K C 0.487 177.027 176.600 -0.100 0.000 0.973 673 K CA -0.721 55.536 56.287 -0.050 0.000 0.828 673 K CB 1.973 34.434 32.500 -0.065 0.000 1.272 673 K HN -0.123 nan 8.250 nan 0.000 0.439 674 L N 2.074 123.219 121.223 -0.131 0.000 2.081 674 L HA -0.232 4.106 4.340 -0.003 0.000 0.212 674 L C 1.590 178.315 176.870 -0.242 0.000 1.080 674 L CA 2.153 56.923 54.840 -0.116 0.000 0.754 674 L CB -0.308 41.736 42.059 -0.025 0.000 0.893 674 L HN 0.608 nan 8.230 nan 0.000 0.433 675 Q N -0.634 118.865 119.800 -0.500 0.000 2.515 675 Q HA -0.078 4.260 4.340 -0.003 0.000 0.212 675 Q C 1.262 177.023 176.000 -0.399 0.000 0.970 675 Q CA 0.939 56.160 55.803 -0.970 0.000 0.941 675 Q CB -0.123 28.086 28.738 -0.883 0.000 0.998 675 Q HN 0.524 nan 8.270 nan 0.000 0.518 676 D N 0.131 120.462 120.400 -0.115 0.000 2.348 676 D HA -0.039 4.599 4.640 -0.003 0.000 0.211 676 D C 0.108 176.564 176.300 0.260 0.000 0.998 676 D CA 0.288 54.363 54.000 0.125 0.000 0.873 676 D CB -0.165 40.771 40.800 0.227 0.000 0.925 676 D HN 0.367 nan 8.370 nan 0.000 0.524 677 N N 1.141 119.909 118.700 0.113 0.000 2.513 677 N HA 0.075 4.813 4.740 -0.003 0.000 0.274 677 N C -1.821 173.552 175.510 -0.229 0.000 1.189 677 N CA -1.166 51.911 53.050 0.045 0.000 0.975 677 N CB 1.607 40.115 38.487 0.034 0.000 1.157 677 N HN -0.286 nan 8.380 nan 0.000 0.465 678 P HA -0.080 nan 4.420 nan 0.000 0.218 678 P C 0.349 177.426 177.300 -0.373 0.000 1.149 678 P CA 1.267 63.749 63.100 -1.029 0.000 0.817 678 P CB -0.058 30.857 31.700 -1.308 0.000 0.785 679 A N -1.695 120.996 122.820 -0.214 0.000 2.370 679 A HA 0.113 4.431 4.320 -0.003 0.000 0.238 679 A C 1.494 179.091 177.584 0.021 0.000 1.289 679 A CA -0.524 51.475 52.037 -0.063 0.000 0.885 679 A CB -1.592 17.406 19.000 -0.003 0.000 0.961 679 A HN -0.027 nan 8.150 nan 0.000 0.499 680 F N 0.654 120.533 119.950 -0.118 0.000 2.063 680 F HA -0.246 4.279 4.527 -0.003 0.000 0.298 680 F C 1.582 177.379 175.800 -0.004 0.000 1.109 680 F CA 2.168 60.131 58.000 -0.062 0.000 1.212 680 F CB -0.179 38.797 39.000 -0.039 0.000 0.973 680 F HN 0.258 nan 8.300 nan 0.000 0.480 681 L N -0.810 120.360 121.223 -0.089 0.000 2.446 681 L HA 0.000 4.339 4.340 -0.003 0.000 0.219 681 L C -0.041 176.766 176.870 -0.105 0.000 1.116 681 L CA 0.607 55.333 54.840 -0.190 0.000 0.844 681 L CB -0.388 41.650 42.059 -0.034 0.000 0.970 681 L HN 0.074 nan 8.230 nan 0.000 0.457 682 N N -0.656 118.028 118.700 -0.027 0.000 2.886 682 N HA 0.184 4.922 4.740 -0.003 0.000 0.285 682 N C -0.724 174.821 175.510 0.059 0.000 1.706 682 N CA -0.117 52.930 53.050 -0.005 0.000 0.904 682 N CB 0.556 39.045 38.487 0.003 0.000 1.224 682 N HN -0.010 nan 8.380 nan 0.000 0.488 683 F N 0.984 120.853 119.950 -0.134 0.000 2.733 683 F HA 0.378 4.903 4.527 -0.003 0.000 0.380 683 F C -0.282 175.469 175.800 -0.083 0.000 1.324 683 F CA -0.447 57.488 58.000 -0.109 0.000 1.178 683 F CB 0.417 39.363 39.000 -0.090 0.000 1.093 683 F HN -0.090 nan 8.300 nan 0.000 0.512 684 K N -0.041 120.291 120.400 -0.113 0.000 2.498 684 K HA 0.451 4.769 4.320 -0.003 0.000 0.254 684 K C -0.644 175.869 176.600 -0.145 0.000 0.933 684 K CA -0.509 55.707 56.287 -0.119 0.000 0.806 684 K CB 1.823 34.264 32.500 -0.097 0.000 1.301 684 K HN -0.081 nan 8.250 nan 0.000 0.432 685 T N 3.351 117.825 114.554 -0.133 0.000 2.743 685 T HA 0.123 4.471 4.350 -0.003 0.000 0.290 685 T C -0.745 173.870 174.700 -0.142 0.000 0.908 685 T CA -0.065 61.967 62.100 -0.112 0.000 1.092 685 T CB 0.135 68.954 68.868 -0.081 0.000 0.882 685 T HN 0.303 nan 8.240 nan 0.000 0.531 686 E N 2.649 122.755 120.200 -0.157 0.000 2.145 686 E HA 0.270 4.618 4.350 -0.003 0.000 0.270 686 E C -0.086 176.376 176.600 -0.229 0.000 0.906 686 E CA -0.732 55.466 56.400 -0.336 0.000 0.761 686 E CB 0.847 30.347 29.700 -0.333 0.000 1.116 686 E HN 0.618 nan 8.360 nan 0.000 0.408 687 F N 1.837 121.772 119.950 -0.025 0.000 3.093 687 F HA -0.273 4.252 4.527 -0.003 0.000 0.287 687 F C 1.222 177.001 175.800 -0.034 0.000 0.882 687 F CA 1.093 59.078 58.000 -0.026 0.000 1.063 687 F CB -2.104 36.881 39.000 -0.025 0.000 1.097 687 F HN 0.803 nan 8.300 nan 0.000 0.604 688 G N -0.669 108.162 108.800 0.053 0.000 2.176 688 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.253 688 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.253 688 G C 0.130 175.024 174.900 -0.010 0.000 0.979 688 G CA 0.451 45.560 45.100 0.015 0.000 0.641 688 G HN 0.955 nan 8.290 nan 0.000 0.530 689 R N -1.394 119.109 120.500 0.006 0.000 2.836 689 R HA 0.831 5.169 4.340 -0.003 0.000 0.269 689 R C -1.056 175.238 176.300 -0.010 0.000 1.010 689 R CA -1.063 55.034 56.100 -0.005 0.000 0.930 689 R CB 1.585 31.897 30.300 0.020 0.000 1.218 689 R HN 0.486 nan 8.270 nan 0.000 0.473 690 V N 2.452 122.370 119.914 0.007 0.000 2.447 690 V HA 0.413 4.532 4.120 -0.003 0.000 0.292 690 V C -0.412 175.761 176.094 0.131 0.000 1.021 690 V CA -0.682 61.638 62.300 0.033 0.000 0.850 690 V CB 1.390 33.224 31.823 0.018 0.000 1.005 690 V HN 0.664 nan 8.190 nan 0.000 0.426 691 I N 4.823 125.454 120.570 0.103 0.000 2.379 691 I HA 0.227 4.395 4.170 -0.003 0.000 0.290 691 I C -0.323 175.920 176.117 0.209 0.000 1.063 691 I CA -0.404 60.977 61.300 0.136 0.000 1.351 691 I CB 0.480 38.528 38.000 0.080 0.000 1.410 691 I HN 0.530 nan 8.210 nan 0.000 0.505 692 Y N 5.978 126.260 120.300 -0.030 0.000 2.603 692 Y HA 0.110 4.658 4.550 -0.003 0.000 0.341 692 Y C 1.659 177.582 175.900 0.039 0.000 1.272 692 Y CA -0.658 57.442 58.100 0.000 0.000 1.891 692 Y CB -0.380 38.063 38.460 -0.029 0.000 1.910 692 Y HN 0.699 nan 8.280 nan 0.000 0.432 693 G N 1.163 110.045 108.800 0.137 0.000 2.432 693 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.219 693 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.219 693 G C 1.554 176.535 174.900 0.134 0.000 1.135 693 G CA 0.719 45.887 45.100 0.115 0.000 0.767 693 G HN 0.554 nan 8.290 nan 0.000 0.550 694 E N 0.959 121.230 120.200 0.117 0.000 2.418 694 E HA -0.014 4.335 4.350 -0.003 0.000 0.197 694 E C 0.894 177.651 176.600 0.260 0.000 1.026 694 E CA 1.052 57.548 56.400 0.160 0.000 0.862 694 E CB -0.251 29.453 29.700 0.007 0.000 0.799 694 E HN 0.335 nan 8.360 nan 0.000 0.518 695 D N 0.825 121.357 120.400 0.219 0.000 3.608 695 D HA -0.322 4.316 4.640 -0.003 0.000 0.152 695 D C 1.291 177.652 176.300 0.101 0.000 0.971 695 D CA 2.984 57.094 54.000 0.182 0.000 1.072 695 D CB -1.323 39.573 40.800 0.161 0.000 0.507 695 D HN 0.331 nan 8.370 nan 0.000 0.520 696 I N -2.024 118.472 120.570 -0.124 0.000 2.830 696 I HA 0.069 4.238 4.170 -0.003 0.000 0.263 696 I C 0.710 176.598 176.117 -0.383 0.000 1.230 696 I CA 0.666 61.777 61.300 -0.315 0.000 1.480 696 I CB -0.430 37.285 38.000 -0.476 0.000 1.095 696 I HN 0.055 nan 8.210 nan 0.000 0.455 697 F N 2.901 122.890 119.950 0.065 0.000 2.619 697 F HA 0.423 4.949 4.527 -0.003 0.000 0.350 697 F C 0.040 175.849 175.800 0.015 0.000 1.259 697 F CA -0.272 57.768 58.000 0.066 0.000 1.204 697 F CB -0.052 39.051 39.000 0.172 0.000 1.556 697 F HN -0.204 nan 8.300 nan 0.000 0.650 698 V N 1.484 121.431 119.914 0.055 0.000 2.715 698 V HA 0.793 4.911 4.120 -0.003 0.000 0.310 698 V C 0.816 176.882 176.094 -0.047 0.000 1.054 698 V CA -0.409 61.877 62.300 -0.022 0.000 0.928 698 V CB 1.252 33.043 31.823 -0.053 0.000 1.007 698 V HN 0.856 nan 8.190 nan 0.000 0.437 699 G N 3.340 112.150 108.800 0.017 0.000 2.652 699 G HA2 -0.396 3.563 3.960 -0.003 0.000 0.318 699 G HA3 -0.396 3.563 3.960 -0.003 0.000 0.318 699 G C 0.702 175.762 174.900 0.267 0.000 1.295 699 G CA 1.598 46.812 45.100 0.189 0.000 0.999 699 G HN 1.509 nan 8.290 nan 0.000 0.548 700 Y N 0.687 121.168 120.300 0.302 0.000 2.403 700 Y HA 0.090 4.638 4.550 -0.003 0.000 0.291 700 Y C 2.874 178.921 175.900 0.246 0.000 1.143 700 Y CA 1.636 59.936 58.100 0.333 0.000 1.257 700 Y CB -0.538 38.080 38.460 0.262 0.000 0.984 700 Y HN 0.418 nan 8.280 nan 0.000 0.550 701 R N -0.801 119.525 120.500 -0.290 0.000 2.152 701 R HA -0.173 4.166 4.340 -0.003 0.000 0.232 701 R C 1.814 178.267 176.300 0.255 0.000 1.117 701 R CA 1.801 57.891 56.100 -0.016 0.000 0.981 701 R CB -0.592 29.652 30.300 -0.094 0.000 0.870 701 R HN 0.533 nan 8.270 nan 0.000 0.451 702 Y N -0.069 120.242 120.300 0.018 0.000 2.163 702 Y HA -0.166 4.382 4.550 -0.003 0.000 0.288 702 Y C 1.740 177.552 175.900 -0.146 0.000 1.112 702 Y CA 1.086 59.122 58.100 -0.107 0.000 1.104 702 Y CB -0.501 37.773 38.460 -0.309 0.000 1.016 702 Y HN -0.112 nan 8.280 nan 0.000 0.497 703 Y N 1.315 121.689 120.300 0.124 0.000 2.139 703 Y HA -0.282 4.266 4.550 -0.003 0.000 0.282 703 Y C 2.423 178.306 175.900 -0.028 0.000 1.179 703 Y CA 2.015 60.126 58.100 0.019 0.000 1.161 703 Y CB -0.853 37.696 38.460 0.148 0.000 0.970 703 Y HN 0.301 nan 8.280 nan 0.000 0.511 704 E N -0.262 120.050 120.200 0.187 0.000 2.150 704 E HA -0.207 4.141 4.350 -0.003 0.000 0.193 704 E C 2.050 178.653 176.600 0.004 0.000 0.985 704 E CA 1.160 57.630 56.400 0.117 0.000 0.814 704 E CB -0.112 29.695 29.700 0.178 0.000 0.752 704 E HN 0.299 nan 8.360 nan 0.000 0.466 705 K N 0.461 120.811 120.400 -0.084 0.000 2.167 705 K HA -0.062 4.256 4.320 -0.003 0.000 0.203 705 K C 1.580 178.022 176.600 -0.264 0.000 1.052 705 K CA 0.423 56.593 56.287 -0.194 0.000 0.956 705 K CB 0.174 32.459 32.500 -0.358 0.000 0.735 705 K HN -0.041 nan 8.250 nan 0.000 0.451 706 L N 1.575 122.592 121.223 -0.343 0.000 2.552 706 L HA 0.089 4.427 4.340 -0.003 0.000 0.227 706 L C 0.120 176.909 176.870 -0.135 0.000 1.146 706 L CA 1.075 55.738 54.840 -0.294 0.000 0.858 706 L CB -0.474 41.330 42.059 -0.426 0.000 0.969 706 L HN 0.262 nan 8.230 nan 0.000 0.451 707 Q N -0.026 119.727 119.800 -0.078 0.000 2.453 707 Q HA -0.279 4.060 4.340 -0.003 0.000 0.294 707 Q C 0.404 176.405 176.000 0.000 0.000 1.295 707 Q CA 0.604 56.392 55.803 -0.024 0.000 0.853 707 Q CB -1.381 27.337 28.738 -0.032 0.000 1.193 707 Q HN 0.487 nan 8.270 nan 0.000 0.461 708 R N 1.383 121.903 120.500 0.033 0.000 2.254 708 R HA 0.287 4.625 4.340 -0.003 0.000 0.318 708 R C -0.403 175.964 176.300 0.112 0.000 1.031 708 R CA -0.490 55.666 56.100 0.093 0.000 0.905 708 R CB 0.796 31.197 30.300 0.168 0.000 1.050 708 R HN -0.021 nan 8.270 nan 0.000 0.456 709 K N 3.148 123.607 120.400 0.100 0.000 2.295 709 K HA 0.198 4.516 4.320 -0.003 0.000 0.270 709 K C -0.193 176.438 176.600 0.051 0.000 1.011 709 K CA -0.491 55.855 56.287 0.100 0.000 0.953 709 K CB 1.305 33.905 32.500 0.167 0.000 0.956 709 K HN 0.475 nan 8.250 nan 0.000 0.477 710 V N -1.647 118.120 119.914 -0.245 0.000 3.001 710 V HA 0.509 4.627 4.120 -0.003 0.000 0.314 710 V C 0.876 176.239 176.094 -1.218 0.000 1.099 710 V CA -0.661 61.212 62.300 -0.711 0.000 0.989 710 V CB 1.435 32.897 31.823 -0.602 0.000 1.040 710 V HN 0.836 nan 8.190 nan 0.000 0.434 711 A N 1.632 123.399 122.820 -1.754 0.000 1.883 711 A HA 0.234 4.552 4.320 -0.003 0.000 0.217 711 A C 0.619 177.288 177.584 -1.526 0.000 1.186 711 A CA 1.768 52.816 52.037 -1.649 0.000 0.624 711 A CB -0.608 17.824 19.000 -0.946 0.000 0.822 711 A HN 0.957 nan 8.150 nan 0.000 0.444 712 F N -1.632 118.073 119.950 -0.407 0.000 2.608 712 F HA 0.517 5.042 4.527 -0.003 0.000 0.309 712 F C -2.767 172.916 175.800 -0.195 0.000 1.103 712 F CA -2.384 55.372 58.000 -0.407 0.000 0.954 712 F CB 2.096 40.842 39.000 -0.423 0.000 1.267 712 F HN -0.103 nan 8.300 nan 0.000 0.444 713 P HA 0.282 nan 4.420 nan 0.000 0.285 713 P C -0.782 176.675 177.300 0.261 0.000 1.285 713 P CA -0.523 62.648 63.100 0.118 0.000 0.854 713 P CB 1.375 33.118 31.700 0.072 0.000 1.180 714 F N 1.028 121.099 119.950 0.201 0.000 2.608 714 F HA 0.307 4.832 4.527 -0.003 0.000 0.380 714 F C 1.441 177.336 175.800 0.158 0.000 1.083 714 F CA 2.071 60.209 58.000 0.230 0.000 1.266 714 F CB -0.413 38.728 39.000 0.235 0.000 1.076 714 F HN 0.733 nan 8.300 nan 0.000 0.574 715 G N 3.814 112.229 108.800 -0.642 0.000 2.159 715 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.256 715 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.256 715 G C -0.337 174.393 174.900 -0.284 0.000 0.977 715 G CA 0.116 44.838 45.100 -0.630 0.000 0.652 715 G HN 0.940 nan 8.290 nan 0.000 0.531 716 Y N 0.969 121.143 120.300 -0.211 0.000 2.301 716 Y HA 0.535 5.083 4.550 -0.003 0.000 0.325 716 Y C 0.616 176.409 175.900 -0.178 0.000 1.203 716 Y CA 0.555 58.569 58.100 -0.143 0.000 1.255 716 Y CB 1.670 40.110 38.460 -0.033 0.000 1.232 716 Y HN 0.677 nan 8.280 nan 0.000 0.501 717 G N 5.786 114.190 108.800 -0.660 0.000 2.716 717 G HA2 0.383 4.341 3.960 -0.003 0.000 0.299 717 G HA3 0.383 4.341 3.960 -0.003 0.000 0.299 717 G C -2.186 172.344 174.900 -0.618 0.000 1.450 717 G CA -0.955 43.820 45.100 -0.541 0.000 0.968 717 G HN 0.743 nan 8.290 nan 0.000 0.566 718 L N 1.206 122.138 121.223 -0.486 0.000 2.379 718 L HA 0.763 5.101 4.340 -0.003 0.000 0.269 718 L C 0.834 177.544 176.870 -0.267 0.000 1.084 718 L CA -0.702 53.937 54.840 -0.335 0.000 0.802 718 L CB 1.761 43.678 42.059 -0.237 0.000 1.175 718 L HN 0.593 nan 8.230 nan 0.000 0.448 719 S N -0.485 115.102 115.700 -0.188 0.000 2.823 719 S HA 0.419 4.887 4.470 -0.003 0.000 0.316 719 S C 0.039 174.504 174.600 -0.226 0.000 1.116 719 S CA -0.413 57.658 58.200 -0.216 0.000 0.911 719 S CB 0.859 64.072 63.200 0.021 0.000 1.276 719 S HN 0.425 nan 8.310 nan 0.000 0.565 720 Y N 0.685 120.831 120.300 -0.257 0.000 2.457 720 Y HA 0.373 4.921 4.550 -0.003 0.000 0.263 720 Y C 1.313 177.075 175.900 -0.231 0.000 1.164 720 Y CA -0.035 57.825 58.100 -0.399 0.000 1.274 720 Y CB -0.132 37.755 38.460 -0.956 0.000 1.097 720 Y HN 0.569 nan 8.280 nan 0.000 0.523 721 T N -1.032 113.480 114.554 -0.069 0.000 2.742 721 T HA 0.613 4.962 4.350 -0.003 0.000 0.282 721 T C -0.213 174.277 174.700 -0.351 0.000 1.025 721 T CA -0.268 61.733 62.100 -0.166 0.000 1.020 721 T CB 1.358 70.074 68.868 -0.254 0.000 1.317 721 T HN 0.059 nan 8.240 nan 0.000 0.538 722 T N -0.401 113.857 114.554 -0.493 0.000 2.926 722 T HA 0.844 5.192 4.350 -0.003 0.000 0.289 722 T C -1.409 172.860 174.700 -0.717 0.000 1.054 722 T CA -0.636 61.213 62.100 -0.419 0.000 1.015 722 T CB 1.279 70.040 68.868 -0.178 0.000 1.167 722 T HN 0.411 nan 8.240 nan 0.000 0.526 723 F N -0.079 119.852 119.950 -0.033 0.000 2.628 723 F HA 0.542 5.067 4.527 -0.003 0.000 0.309 723 F C -0.147 175.637 175.800 -0.027 0.000 1.108 723 F CA -0.809 57.171 58.000 -0.033 0.000 0.971 723 F CB 2.252 41.222 39.000 -0.049 0.000 1.279 723 F HN 0.945 nan 8.300 nan 0.000 0.441 724 E N 2.064 122.370 120.200 0.176 0.000 2.393 724 E HA 0.876 5.224 4.350 -0.003 0.000 0.265 724 E C -1.794 174.857 176.600 0.086 0.000 0.941 724 E CA -1.145 55.317 56.400 0.103 0.000 0.801 724 E CB 2.920 32.655 29.700 0.057 0.000 1.313 724 E HN 0.533 nan 8.360 nan 0.000 0.435 725 L N -1.696 119.556 121.223 0.048 0.000 2.568 725 L HA 0.758 5.096 4.340 -0.003 0.000 0.257 725 L C -1.937 174.943 176.870 0.018 0.000 1.024 725 L CA -0.708 54.149 54.840 0.029 0.000 0.854 725 L CB 1.964 44.029 42.059 0.010 0.000 1.460 725 L HN 0.753 nan 8.230 nan 0.000 0.409 726 D N -0.601 119.807 120.400 0.013 0.000 2.609 726 D HA 0.542 5.180 4.640 -0.003 0.000 0.239 726 D C -0.955 175.347 176.300 0.003 0.000 1.229 726 D CA -0.474 53.529 54.000 0.006 0.000 0.808 726 D CB 1.485 42.291 40.800 0.010 0.000 1.448 726 D HN 0.674 nan 8.370 nan 0.000 0.433 727 I N 1.791 122.357 120.570 -0.007 0.000 2.406 727 I HA 0.080 4.248 4.170 -0.003 0.000 0.293 727 I C 1.158 177.291 176.117 0.026 0.000 1.101 727 I CA -0.007 61.293 61.300 0.000 0.000 1.334 727 I CB 0.704 38.680 38.000 -0.039 0.000 1.421 727 I HN 0.556 nan 8.210 nan 0.000 0.513 728 S N 2.740 118.461 115.700 0.035 0.000 2.501 728 S HA 0.093 4.561 4.470 -0.003 0.000 0.220 728 S C 0.375 175.007 174.600 0.053 0.000 0.997 728 S CA -0.026 58.197 58.200 0.038 0.000 0.919 728 S CB 0.137 63.355 63.200 0.029 0.000 0.778 728 S HN 0.667 nan 8.310 nan 0.000 0.523 729 D N -0.608 119.838 120.400 0.077 0.000 2.803 729 D HA 0.542 5.180 4.640 -0.003 0.000 0.218 729 D C -2.269 174.146 176.300 0.192 0.000 1.245 729 D CA -0.568 53.491 54.000 0.099 0.000 0.821 729 D CB 1.906 42.738 40.800 0.053 0.000 1.626 729 D HN 0.086 nan 8.370 nan 0.000 0.487 730 F N 3.191 123.132 119.950 -0.015 0.000 3.051 730 F HA 0.390 4.915 4.527 -0.003 0.000 0.363 730 F C -1.417 174.360 175.800 -0.038 0.000 1.257 730 F CA -0.526 57.458 58.000 -0.027 0.000 1.126 730 F CB 0.807 39.800 39.000 -0.011 0.000 1.476 730 F HN -0.019 nan 8.300 nan 0.000 0.576 731 K N 5.202 125.266 120.400 -0.559 0.000 2.270 731 K HA 0.756 5.074 4.320 -0.003 0.000 0.255 731 K C -1.483 174.714 176.600 -0.672 0.000 0.936 731 K CA -0.658 55.313 56.287 -0.526 0.000 0.809 731 K CB 2.351 34.702 32.500 -0.249 0.000 1.131 731 K HN 0.409 nan 8.250 nan 0.000 0.427 732 V N 0.251 119.812 119.914 -0.588 0.000 2.483 732 V HA 0.422 4.540 4.120 -0.003 0.000 0.297 732 V C 0.696 176.637 176.094 -0.255 0.000 1.027 732 V CA -1.036 60.983 62.300 -0.467 0.000 0.855 732 V CB 0.922 32.413 31.823 -0.552 0.000 0.995 732 V HN 0.905 nan 8.190 nan 0.000 0.424 733 T N -0.545 113.891 114.554 -0.197 0.000 2.833 733 T HA 0.170 4.519 4.350 -0.003 0.000 0.312 733 T C 0.830 175.472 174.700 -0.097 0.000 1.085 733 T CA 0.412 62.436 62.100 -0.126 0.000 0.955 733 T CB 0.585 69.387 68.868 -0.110 0.000 1.353 733 T HN 0.593 nan 8.240 nan 0.000 0.544 734 D N 1.423 121.783 120.400 -0.067 0.000 2.144 734 D HA -0.047 4.591 4.640 -0.003 0.000 0.199 734 D C 0.337 176.600 176.300 -0.062 0.000 0.984 734 D CA 1.497 55.470 54.000 -0.045 0.000 0.834 734 D CB -0.083 40.700 40.800 -0.030 0.000 0.955 734 D HN 0.813 nan 8.370 nan 0.000 0.465 735 D N -0.356 119.990 120.400 -0.089 0.000 3.060 735 D HA 0.166 4.804 4.640 -0.003 0.000 0.326 735 D C -0.388 175.826 176.300 -0.143 0.000 1.253 735 D CA -0.413 53.517 54.000 -0.116 0.000 0.737 735 D CB 0.064 40.796 40.800 -0.114 0.000 1.260 735 D HN -0.063 nan 8.370 nan 0.000 0.542 736 K N 0.515 120.819 120.400 -0.160 0.000 2.562 736 K HA 0.500 4.818 4.320 -0.003 0.000 0.267 736 K C -1.061 175.411 176.600 -0.213 0.000 0.938 736 K CA -0.649 55.535 56.287 -0.170 0.000 0.840 736 K CB 2.515 34.931 32.500 -0.141 0.000 1.390 736 K HN 0.022 nan 8.250 nan 0.000 0.428 737 I N 1.657 122.110 120.570 -0.195 0.000 2.411 737 I HA 0.322 4.490 4.170 -0.003 0.000 0.284 737 I C -0.430 175.612 176.117 -0.126 0.000 1.012 737 I CA -0.694 60.477 61.300 -0.215 0.000 1.119 737 I CB 1.897 39.818 38.000 -0.132 0.000 1.261 737 I HN 0.641 nan 8.210 nan 0.000 0.448 738 A N 7.753 130.469 122.820 -0.173 0.000 2.274 738 A HA 0.814 5.132 4.320 -0.003 0.000 0.309 738 A C -0.731 176.853 177.584 -0.000 0.000 1.226 738 A CA -0.403 51.582 52.037 -0.087 0.000 0.853 738 A CB 0.738 19.674 19.000 -0.108 0.000 1.146 738 A HN 0.766 nan 8.150 nan 0.000 0.518 739 I N 1.595 122.214 120.570 0.083 0.000 2.533 739 I HA 0.635 4.803 4.170 -0.003 0.000 0.290 739 I C -0.716 175.451 176.117 0.084 0.000 1.056 739 I CA -0.041 61.362 61.300 0.171 0.000 1.057 739 I CB 2.261 40.424 38.000 0.272 0.000 1.240 739 I HN 0.445 nan 8.210 nan 0.000 0.423 740 S N 5.766 121.514 115.700 0.080 0.000 2.503 740 S HA 0.787 5.255 4.470 -0.003 0.000 0.301 740 S C -0.904 173.718 174.600 0.037 0.000 1.087 740 S CA -0.696 57.530 58.200 0.043 0.000 1.042 740 S CB 2.048 65.267 63.200 0.032 0.000 1.043 740 S HN 0.475 nan 8.310 nan 0.000 0.489 741 V N 2.579 122.505 119.914 0.020 0.000 2.577 741 V HA 0.370 4.489 4.120 -0.003 0.000 0.303 741 V C -1.054 175.046 176.094 0.011 0.000 1.042 741 V CA -0.904 61.403 62.300 0.012 0.000 0.872 741 V CB 1.990 33.814 31.823 0.002 0.000 0.998 741 V HN 0.833 nan 8.190 nan 0.000 0.423 742 D N 3.482 123.891 120.400 0.015 0.000 2.210 742 D HA 0.575 5.213 4.640 -0.003 0.000 0.249 742 D C -0.534 175.778 176.300 0.021 0.000 1.078 742 D CA -0.069 53.942 54.000 0.019 0.000 0.875 742 D CB 2.579 43.392 40.800 0.023 0.000 1.175 742 D HN 0.240 nan 8.370 nan 0.000 0.440 743 V N 2.010 121.940 119.914 0.026 0.000 2.789 743 V HA 0.410 4.528 4.120 -0.003 0.000 0.311 743 V C -0.142 176.003 176.094 0.086 0.000 1.073 743 V CA -0.819 61.505 62.300 0.041 0.000 0.921 743 V CB 2.622 34.437 31.823 -0.014 0.000 1.009 743 V HN 0.374 nan 8.190 nan 0.000 0.426 744 K N 2.666 123.152 120.400 0.144 0.000 2.482 744 K HA 0.393 4.712 4.320 -0.003 0.000 0.251 744 K C -0.684 176.054 176.600 0.230 0.000 0.936 744 K CA -0.743 55.633 56.287 0.150 0.000 0.791 744 K CB 1.453 34.001 32.500 0.079 0.000 1.213 744 K HN 0.663 nan 8.250 nan 0.000 0.428 745 N N 2.880 121.685 118.700 0.176 0.000 2.605 745 N HA -0.040 4.699 4.740 -0.003 0.000 0.282 745 N C 0.616 176.053 175.510 -0.120 0.000 1.206 745 N CA 0.268 53.273 53.050 -0.074 0.000 1.074 745 N CB 0.533 38.989 38.487 -0.053 0.000 1.434 745 N HN 0.673 nan 8.380 nan 0.000 0.506 746 T N -0.966 113.509 114.554 -0.132 0.000 3.051 746 T HA 0.038 4.386 4.350 -0.003 0.000 0.269 746 T C 1.091 175.728 174.700 -0.105 0.000 1.127 746 T CA 0.237 62.284 62.100 -0.088 0.000 1.107 746 T CB -0.241 68.590 68.868 -0.061 0.000 0.898 746 T HN 0.292 nan 8.240 nan 0.000 0.517 747 G N 1.541 110.242 108.800 -0.164 0.000 2.599 747 G HA2 0.410 4.368 3.960 -0.003 0.000 0.264 747 G HA3 0.410 4.368 3.960 -0.003 0.000 0.264 747 G C 0.054 174.907 174.900 -0.078 0.000 1.200 747 G CA -0.040 44.992 45.100 -0.113 0.000 0.896 747 G HN 0.475 nan 8.290 nan 0.000 0.536 748 D N -2.566 117.799 120.400 -0.059 0.000 2.539 748 D HA 0.085 4.723 4.640 -0.003 0.000 0.232 748 D C 0.968 177.210 176.300 -0.096 0.000 1.256 748 D CA -0.141 53.820 54.000 -0.065 0.000 0.810 748 D CB 0.538 41.305 40.800 -0.055 0.000 1.090 748 D HN 0.459 nan 8.370 nan 0.000 0.519 749 K N -1.022 119.304 120.400 -0.124 0.000 2.504 749 K HA 0.255 4.573 4.320 -0.003 0.000 0.203 749 K C -0.779 175.574 176.600 -0.412 0.000 1.350 749 K CA -0.080 56.025 56.287 -0.303 0.000 0.953 749 K CB 0.723 32.975 32.500 -0.412 0.000 1.243 749 K HN -0.054 nan 8.250 nan 0.000 0.534 750 F N 1.174 121.101 119.950 -0.038 0.000 2.520 750 F HA 0.510 5.035 4.527 -0.003 0.000 0.322 750 F C -0.082 175.695 175.800 -0.038 0.000 1.103 750 F CA -1.162 56.831 58.000 -0.011 0.000 0.926 750 F CB 1.768 40.783 39.000 0.025 0.000 1.154 750 F HN -0.058 nan 8.300 nan 0.000 0.453 751 A N 2.020 124.955 122.820 0.193 0.000 2.401 751 A HA 0.721 5.039 4.320 -0.003 0.000 0.259 751 A C 0.254 177.840 177.584 0.004 0.000 1.103 751 A CA 0.392 52.462 52.037 0.054 0.000 0.789 751 A CB -0.080 18.984 19.000 0.107 0.000 1.035 751 A HN 1.011 nan 8.150 nan 0.000 0.491 752 G N 0.154 108.882 108.800 -0.119 0.000 2.673 752 G HA2 0.521 4.479 3.960 -0.003 0.000 0.292 752 G HA3 0.521 4.479 3.960 -0.003 0.000 0.292 752 G C -0.918 174.021 174.900 0.065 0.000 1.450 752 G CA -0.375 44.736 45.100 0.017 0.000 0.837 752 G HN 0.775 nan 8.290 nan 0.000 0.505 753 S N -0.299 115.423 115.700 0.036 0.000 2.541 753 S HA 0.655 5.123 4.470 -0.003 0.000 0.283 753 S C -0.390 174.021 174.600 -0.315 0.000 1.196 753 S CA -0.393 57.759 58.200 -0.080 0.000 1.062 753 S CB 1.804 65.012 63.200 0.013 0.000 1.009 753 S HN 0.698 nan 8.310 nan 0.000 0.502 754 E N 1.365 121.210 120.200 -0.592 0.000 2.277 754 E HA 0.590 4.938 4.350 -0.003 0.000 0.266 754 E C -1.664 174.692 176.600 -0.406 0.000 0.901 754 E CA -0.770 55.144 56.400 -0.810 0.000 0.782 754 E CB 1.447 30.159 29.700 -1.648 0.000 1.228 754 E HN 0.269 nan 8.360 nan 0.000 0.424 755 V N 3.724 123.431 119.914 -0.346 0.000 2.350 755 V HA 0.344 4.463 4.120 -0.003 0.000 0.285 755 V C -0.451 175.535 176.094 -0.180 0.000 1.014 755 V CA -0.942 61.226 62.300 -0.220 0.000 0.831 755 V CB 1.483 33.098 31.823 -0.346 0.000 1.000 755 V HN 0.569 nan 8.190 nan 0.000 0.433 756 V N 5.859 125.730 119.914 -0.072 0.000 2.488 756 V HA 0.315 4.433 4.120 -0.003 0.000 0.277 756 V C 0.083 176.208 176.094 0.051 0.000 1.046 756 V CA -0.185 62.098 62.300 -0.028 0.000 0.986 756 V CB 1.191 33.005 31.823 -0.015 0.000 0.989 756 V HN 0.926 nan 8.190 nan 0.000 0.475 757 Q N 3.541 123.362 119.800 0.035 0.000 2.330 757 Q HA 0.631 4.969 4.340 -0.003 0.000 0.269 757 Q C -1.341 174.637 176.000 -0.038 0.000 1.022 757 Q CA -0.584 55.239 55.803 0.034 0.000 0.796 757 Q CB 2.727 31.497 28.738 0.054 0.000 1.271 757 Q HN 0.577 nan 8.270 nan 0.000 0.450 758 V N 3.359 123.188 119.914 -0.142 0.000 2.417 758 V HA 0.461 4.579 4.120 -0.003 0.000 0.291 758 V C -1.088 174.842 176.094 -0.274 0.000 1.024 758 V CA -0.686 61.534 62.300 -0.133 0.000 0.861 758 V CB 0.477 32.280 31.823 -0.034 0.000 0.985 758 V HN 0.644 nan 8.190 nan 0.000 0.436 759 Y N 3.603 123.883 120.300 -0.034 0.000 2.549 759 Y HA 0.751 5.299 4.550 -0.003 0.000 0.339 759 Y C -0.509 175.333 175.900 -0.097 0.000 1.053 759 Y CA -0.911 57.232 58.100 0.072 0.000 1.105 759 Y CB 2.128 40.645 38.460 0.096 0.000 1.258 759 Y HN 0.494 nan 8.280 nan 0.000 0.478 760 F N 0.270 120.409 119.950 0.315 0.000 2.556 760 F HA 0.636 5.161 4.527 -0.003 0.000 0.314 760 F C -0.356 175.606 175.800 0.269 0.000 1.106 760 F CA -0.585 57.580 58.000 0.275 0.000 0.911 760 F CB 2.329 41.478 39.000 0.248 0.000 1.190 760 F HN 0.284 nan 8.300 nan 0.000 0.448 761 S N 1.301 117.240 115.700 0.397 0.000 2.548 761 S HA 0.830 5.298 4.470 -0.003 0.000 0.286 761 S C -0.957 173.785 174.600 0.236 0.000 1.098 761 S CA -0.800 57.558 58.200 0.264 0.000 0.930 761 S CB 1.927 65.211 63.200 0.141 0.000 1.070 761 S HN 0.727 nan 8.310 nan 0.000 0.480 762 A N 2.237 125.127 122.820 0.116 0.000 2.290 762 A HA 0.692 5.011 4.320 -0.003 0.000 0.310 762 A C 0.543 177.984 177.584 -0.239 0.000 1.202 762 A CA -0.570 51.322 52.037 -0.242 0.000 0.837 762 A CB 0.147 19.049 19.000 -0.164 0.000 1.139 762 A HN 0.882 nan 8.150 nan 0.000 0.509 763 L N 1.526 122.535 121.223 -0.356 0.000 2.116 763 L HA 0.050 4.388 4.340 -0.003 0.000 0.200 763 L C 1.044 177.814 176.870 -0.166 0.000 1.084 763 L CA 1.083 55.801 54.840 -0.204 0.000 0.766 763 L CB -0.041 41.906 42.059 -0.186 0.000 0.930 763 L HN 0.820 nan 8.230 nan 0.000 0.453 764 N N -1.002 117.580 118.700 -0.198 0.000 2.401 764 N HA 0.069 4.807 4.740 -0.003 0.000 0.264 764 N C -0.266 175.176 175.510 -0.113 0.000 1.238 764 N CA -0.200 52.776 53.050 -0.123 0.000 0.889 764 N CB 0.883 39.314 38.487 -0.095 0.000 1.196 764 N HN 0.052 nan 8.380 nan 0.000 0.511 765 S N 0.016 115.635 115.700 -0.135 0.000 2.645 765 S HA 0.254 4.722 4.470 -0.003 0.000 0.266 765 S C 0.967 175.527 174.600 -0.067 0.000 1.258 765 S CA -0.179 57.956 58.200 -0.108 0.000 0.990 765 S CB 1.016 64.133 63.200 -0.138 0.000 0.967 765 S HN 0.095 nan 8.310 nan 0.000 0.556 766 K N 0.854 121.224 120.400 -0.051 0.000 2.374 766 K HA 0.274 4.592 4.320 -0.003 0.000 0.202 766 K C -0.653 175.917 176.600 -0.050 0.000 1.040 766 K CA 0.061 56.330 56.287 -0.031 0.000 1.085 766 K CB 0.823 33.324 32.500 0.001 0.000 0.873 766 K HN 0.449 nan 8.250 nan 0.000 0.539 767 V N 1.296 121.143 119.914 -0.112 0.000 2.481 767 V HA 0.137 4.255 4.120 -0.003 0.000 0.286 767 V C 0.467 176.493 176.094 -0.114 0.000 1.042 767 V CA -0.582 61.605 62.300 -0.189 0.000 0.928 767 V CB 1.668 33.182 31.823 -0.514 0.000 0.986 767 V HN 0.058 nan 8.190 nan 0.000 0.462 768 S N 4.999 120.671 115.700 -0.046 0.000 2.533 768 S HA 0.445 4.913 4.470 -0.003 0.000 0.282 768 S C -0.056 174.580 174.600 0.060 0.000 1.304 768 S CA -0.257 57.972 58.200 0.049 0.000 1.063 768 S CB -0.082 63.199 63.200 0.134 0.000 0.881 768 S HN 0.718 nan 8.310 nan 0.000 0.493 769 R N 3.280 123.857 120.500 0.128 0.000 2.855 769 R HA 0.477 4.815 4.340 -0.003 0.000 0.266 769 R C -2.966 173.497 176.300 0.273 0.000 1.034 769 R CA -2.217 53.957 56.100 0.123 0.000 0.944 769 R CB 0.736 31.088 30.300 0.087 0.000 1.219 769 R HN 0.359 nan 8.270 nan 0.000 0.474 770 P HA 0.009 nan 4.420 nan 0.000 0.272 770 P C 0.932 178.370 177.300 0.230 0.000 1.223 770 P CA -0.278 63.018 63.100 0.327 0.000 0.784 770 P CB 0.610 32.428 31.700 0.197 0.000 0.923 771 V N 0.896 120.928 119.914 0.198 0.000 2.278 771 V HA -0.234 3.885 4.120 -0.003 0.000 0.251 771 V C 1.090 177.283 176.094 0.165 0.000 1.062 771 V CA 2.164 64.548 62.300 0.140 0.000 1.038 771 V CB -1.308 30.577 31.823 0.104 0.000 0.646 771 V HN 0.766 nan 8.190 nan 0.000 0.447 772 K N -0.786 119.751 120.400 0.229 0.000 2.575 772 K HA 0.636 4.954 4.320 -0.003 0.000 0.279 772 K C -1.570 175.310 176.600 0.467 0.000 0.969 772 K CA -0.840 55.629 56.287 0.303 0.000 0.868 772 K CB 2.079 34.712 32.500 0.221 0.000 1.457 772 K HN 0.157 nan 8.250 nan 0.000 0.426 773 E N 1.406 121.932 120.200 0.543 0.000 2.272 773 E HA 0.258 4.607 4.350 -0.003 0.000 0.269 773 E C -1.314 175.636 176.600 0.583 0.000 0.877 773 E CA -1.208 55.531 56.400 0.566 0.000 0.755 773 E CB 2.490 32.399 29.700 0.349 0.000 1.192 773 E HN 0.441 nan 8.360 nan 0.000 0.422 774 L N 2.798 124.337 121.223 0.526 0.000 2.453 774 L HA 0.084 4.422 4.340 -0.003 0.000 0.272 774 L C 0.350 177.229 176.870 0.015 0.000 1.182 774 L CA 0.781 55.651 54.840 0.050 0.000 0.858 774 L CB 0.247 42.397 42.059 0.153 0.000 1.120 774 L HN 0.495 nan 8.230 nan 0.000 0.474 775 K N 3.462 123.772 120.400 -0.150 0.000 2.588 775 K HA 0.409 4.728 4.320 -0.003 0.000 0.216 775 K C 0.036 176.199 176.600 -0.728 0.000 1.382 775 K CA 0.406 56.362 56.287 -0.553 0.000 1.008 775 K CB 1.320 33.715 32.500 -0.175 0.000 1.138 775 K HN 0.729 nan 8.250 nan 0.000 0.619 776 G N 1.246 109.929 108.800 -0.195 0.000 2.692 776 G HA2 0.667 4.625 3.960 -0.003 0.000 0.291 776 G HA3 0.667 4.625 3.960 -0.003 0.000 0.291 776 G C -1.508 173.567 174.900 0.293 0.000 1.423 776 G CA -0.735 44.370 45.100 0.008 0.000 0.843 776 G HN 0.018 nan 8.290 nan 0.000 0.486 777 F N -1.499 118.540 119.950 0.149 0.000 2.725 777 F HA 0.829 5.354 4.527 -0.003 0.000 0.309 777 F C -1.242 174.610 175.800 0.086 0.000 1.132 777 F CA -1.214 56.863 58.000 0.128 0.000 0.957 777 F CB 1.754 40.915 39.000 0.268 0.000 1.286 777 F HN 0.430 nan 8.300 nan 0.000 0.440 778 E N 1.531 121.848 120.200 0.195 0.000 2.366 778 E HA 0.345 4.693 4.350 -0.003 0.000 0.278 778 E C -1.857 174.800 176.600 0.095 0.000 0.923 778 E CA -0.933 55.515 56.400 0.080 0.000 0.761 778 E CB 3.184 32.885 29.700 0.001 0.000 1.231 778 E HN 0.746 nan 8.360 nan 0.000 0.443 779 K N 1.181 121.626 120.400 0.075 0.000 2.292 779 K HA 0.574 4.892 4.320 -0.003 0.000 0.257 779 K C -1.383 175.219 176.600 0.003 0.000 0.940 779 K CA -0.726 55.583 56.287 0.036 0.000 0.811 779 K CB 1.888 34.438 32.500 0.084 0.000 1.120 779 K HN 0.240 nan 8.250 nan 0.000 0.428 780 V N 4.869 124.755 119.914 -0.048 0.000 2.577 780 V HA 0.246 4.364 4.120 -0.003 0.000 0.303 780 V C -0.950 175.152 176.094 0.013 0.000 1.042 780 V CA -0.683 61.608 62.300 -0.015 0.000 0.872 780 V CB 1.502 33.303 31.823 -0.038 0.000 0.998 780 V HN 0.866 nan 8.190 nan 0.000 0.423 781 H N 6.834 125.907 119.070 0.004 0.000 2.610 781 H HA 0.594 5.149 4.556 -0.003 0.000 0.336 781 H C -1.337 174.039 175.328 0.080 0.000 1.087 781 H CA 0.096 56.172 56.048 0.047 0.000 1.405 781 H CB 1.283 31.074 29.762 0.047 0.000 1.460 781 H HN 0.569 nan 8.280 nan 0.000 0.538 782 L N 4.016 125.122 121.223 -0.195 0.000 2.482 782 L HA 0.235 4.574 4.340 -0.003 0.000 0.263 782 L C -0.365 176.469 176.870 -0.059 0.000 0.957 782 L CA -0.902 53.941 54.840 0.005 0.000 0.836 782 L CB 2.514 44.667 42.059 0.155 0.000 1.324 782 L HN 0.544 nan 8.230 nan 0.000 0.406 783 E N 1.832 122.052 120.200 0.034 0.000 2.280 783 E HA 0.362 4.710 4.350 -0.003 0.000 0.264 783 E C -2.441 174.168 176.600 0.015 0.000 1.064 783 E CA -2.033 54.389 56.400 0.037 0.000 0.900 783 E CB 0.831 30.571 29.700 0.067 0.000 1.123 783 E HN 0.207 nan 8.360 nan 0.000 0.418 784 P HA -0.032 nan 4.420 nan 0.000 0.260 784 P C 0.701 177.992 177.300 -0.015 0.000 1.185 784 P CA 1.355 64.439 63.100 -0.026 0.000 0.763 784 P CB 0.165 31.843 31.700 -0.035 0.000 0.776 785 G N 2.339 111.128 108.800 -0.018 0.000 2.284 785 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.247 785 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.247 785 G C 0.346 175.256 174.900 0.017 0.000 1.012 785 G CA 0.014 45.112 45.100 -0.003 0.000 0.618 785 G HN 0.610 nan 8.290 nan 0.000 0.521 786 E N 1.105 121.322 120.200 0.029 0.000 2.414 786 E HA 0.385 4.733 4.350 -0.003 0.000 0.263 786 E C 0.244 176.877 176.600 0.056 0.000 1.000 786 E CA 0.203 56.629 56.400 0.044 0.000 0.914 786 E CB 0.274 30.008 29.700 0.057 0.000 0.948 786 E HN 0.459 nan 8.360 nan 0.000 0.444 787 K N 3.777 124.206 120.400 0.048 0.000 2.324 787 K HA 0.378 4.696 4.320 -0.003 0.000 0.253 787 K C -1.227 175.399 176.600 0.044 0.000 0.932 787 K CA -0.723 55.594 56.287 0.050 0.000 0.799 787 K CB 1.158 33.682 32.500 0.040 0.000 1.154 787 K HN 0.325 nan 8.250 nan 0.000 0.425 788 K N 1.760 122.186 120.400 0.043 0.000 2.477 788 K HA 0.329 4.647 4.320 -0.003 0.000 0.255 788 K C -1.124 175.490 176.600 0.023 0.000 0.952 788 K CA -0.984 55.323 56.287 0.033 0.000 0.826 788 K CB 2.375 34.897 32.500 0.037 0.000 1.331 788 K HN 0.571 nan 8.250 nan 0.000 0.437 789 T N 1.318 115.883 114.554 0.018 0.000 2.875 789 T HA 0.392 4.740 4.350 -0.003 0.000 0.284 789 T C -0.466 174.239 174.700 0.007 0.000 0.995 789 T CA -0.728 61.380 62.100 0.013 0.000 1.060 789 T CB 1.155 70.031 68.868 0.013 0.000 0.967 789 T HN 0.409 nan 8.240 nan 0.000 0.476 790 V N 1.306 121.222 119.914 0.003 0.000 2.604 790 V HA 0.692 4.810 4.120 -0.003 0.000 0.305 790 V C -0.660 175.433 176.094 -0.001 0.000 1.043 790 V CA -1.054 61.244 62.300 -0.003 0.000 0.888 790 V CB 1.932 33.750 31.823 -0.008 0.000 0.995 790 V HN 0.741 nan 8.190 nan 0.000 0.429 791 N N 3.524 122.219 118.700 -0.009 0.000 2.405 791 N HA 0.731 5.469 4.740 -0.003 0.000 0.299 791 N C -1.174 174.325 175.510 -0.018 0.000 1.075 791 N CA -0.236 52.810 53.050 -0.008 0.000 0.884 791 N CB 2.538 41.017 38.487 -0.013 0.000 1.194 791 N HN 0.709 nan 8.380 nan 0.000 0.491 792 I N 1.128 121.695 120.570 -0.006 0.000 2.498 792 I HA 0.253 4.421 4.170 -0.003 0.000 0.290 792 I C -0.991 175.120 176.117 -0.010 0.000 1.032 792 I CA -0.493 60.799 61.300 -0.013 0.000 1.073 792 I CB 1.872 39.879 38.000 0.012 0.000 1.251 792 I HN 0.403 nan 8.210 nan 0.000 0.426 793 D N 6.949 127.327 120.400 -0.037 0.000 2.671 793 D HA 0.831 5.469 4.640 -0.003 0.000 0.232 793 D C -1.306 174.956 176.300 -0.063 0.000 1.114 793 D CA -0.527 53.444 54.000 -0.048 0.000 0.858 793 D CB 2.230 42.993 40.800 -0.061 0.000 1.544 793 D HN 0.266 nan 8.370 nan 0.000 0.471 794 L N -1.969 119.204 121.223 -0.082 0.000 2.710 794 L HA 0.580 4.919 4.340 -0.003 0.000 0.260 794 L C -0.918 175.859 176.870 -0.156 0.000 0.993 794 L CA -1.233 53.538 54.840 -0.115 0.000 0.877 794 L CB 1.182 43.162 42.059 -0.132 0.000 1.461 794 L HN 0.142 nan 8.230 nan 0.000 0.413 795 E N 0.695 120.783 120.200 -0.187 0.000 2.313 795 E HA 0.401 4.749 4.350 -0.003 0.000 0.272 795 E C 0.641 177.085 176.600 -0.261 0.000 1.038 795 E CA -0.535 55.734 56.400 -0.219 0.000 0.863 795 E CB 1.541 31.094 29.700 -0.245 0.000 1.060 795 E HN 0.600 nan 8.360 nan 0.000 0.402 796 L N 2.831 123.910 121.223 -0.240 0.000 1.991 796 L HA -0.352 3.986 4.340 -0.003 0.000 0.221 796 L C 2.428 179.140 176.870 -0.263 0.000 1.079 796 L CA 2.225 56.922 54.840 -0.238 0.000 0.778 796 L CB -0.587 41.370 42.059 -0.170 0.000 0.893 796 L HN 0.652 nan 8.230 nan 0.000 0.437 797 K N -0.855 119.369 120.400 -0.293 0.000 2.218 797 K HA -0.209 4.109 4.320 -0.003 0.000 0.205 797 K C 1.261 177.696 176.600 -0.275 0.000 1.046 797 K CA 2.025 58.116 56.287 -0.328 0.000 0.933 797 K CB -0.261 31.782 32.500 -0.763 0.000 0.728 797 K HN 0.385 nan 8.250 nan 0.000 0.454 798 D N 0.160 120.362 120.400 -0.331 0.000 2.354 798 D HA 0.072 4.711 4.640 -0.003 0.000 0.209 798 D C 1.571 177.717 176.300 -0.257 0.000 1.015 798 D CA 0.870 54.712 54.000 -0.264 0.000 0.867 798 D CB 0.568 41.213 40.800 -0.257 0.000 0.933 798 D HN 0.461 nan 8.370 nan 0.000 0.520 799 A N 0.857 123.457 122.820 -0.367 0.000 1.997 799 A HA 0.114 4.432 4.320 -0.003 0.000 0.212 799 A C 1.808 179.142 177.584 -0.418 0.000 1.178 799 A CA 0.272 51.950 52.037 -0.599 0.000 0.698 799 A CB -0.049 18.235 19.000 -1.192 0.000 0.842 799 A HN 0.285 nan 8.150 nan 0.000 0.458 800 I N -3.846 116.573 120.570 -0.251 0.000 3.994 800 I HA 0.345 4.514 4.170 -0.003 0.000 0.323 800 I C -0.438 175.713 176.117 0.056 0.000 1.501 800 I CA -0.350 60.872 61.300 -0.130 0.000 1.112 800 I CB 0.803 38.536 38.000 -0.444 0.000 1.254 800 I HN -0.113 nan 8.210 nan 0.000 0.495 801 S N 1.669 117.460 115.700 0.151 0.000 2.584 801 S HA 0.544 5.012 4.470 -0.003 0.000 0.273 801 S C -0.531 174.333 174.600 0.440 0.000 1.311 801 S CA -0.330 58.053 58.200 0.305 0.000 1.034 801 S CB 0.598 64.092 63.200 0.490 0.000 0.939 801 S HN 0.478 nan 8.310 nan 0.000 0.513 802 Y N -0.367 120.145 120.300 0.354 0.000 2.621 802 Y HA 0.764 5.312 4.550 -0.003 0.000 0.334 802 Y C -0.807 175.295 175.900 0.338 0.000 1.074 802 Y CA -1.858 56.459 58.100 0.361 0.000 1.149 802 Y CB 0.517 39.102 38.460 0.209 0.000 1.302 802 Y HN 0.468 nan 8.280 nan 0.000 0.501 803 F N 3.328 123.228 119.950 -0.083 0.000 2.421 803 F HA 0.296 4.821 4.527 -0.003 0.000 0.358 803 F C 0.134 175.781 175.800 -0.255 0.000 1.115 803 F CA -0.583 57.063 58.000 -0.590 0.000 1.160 803 F CB 0.361 38.838 39.000 -0.871 0.000 1.123 803 F HN 0.653 nan 8.300 nan 0.000 0.508 804 N N 5.467 123.599 118.700 -0.947 0.000 2.415 804 N HA -0.031 4.707 4.740 -0.003 0.000 0.250 804 N C 1.003 176.200 175.510 -0.523 0.000 1.127 804 N CA 0.368 53.163 53.050 -0.425 0.000 0.945 804 N CB 0.476 38.791 38.487 -0.286 0.000 1.196 804 N HN 0.895 nan 8.380 nan 0.000 0.499 805 E N 2.482 122.637 120.200 -0.076 0.000 2.110 805 E HA -0.210 4.138 4.350 -0.003 0.000 0.193 805 E C 1.042 177.634 176.600 -0.012 0.000 0.988 805 E CA 1.005 57.453 56.400 0.079 0.000 0.804 805 E CB 0.217 29.999 29.700 0.136 0.000 0.745 805 E HN 0.736 nan 8.360 nan 0.000 0.458 806 E N -0.189 119.987 120.200 -0.039 0.000 2.208 806 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 806 E C 1.789 178.329 176.600 -0.100 0.000 0.988 806 E CA 0.600 56.973 56.400 -0.046 0.000 0.828 806 E CB 0.190 29.875 29.700 -0.025 0.000 0.763 806 E HN 0.292 nan 8.360 nan 0.000 0.478 807 L N -1.271 119.845 121.223 -0.178 0.000 2.556 807 L HA 0.280 4.618 4.340 -0.003 0.000 0.226 807 L C 1.217 177.928 176.870 -0.264 0.000 1.089 807 L CA 0.359 55.054 54.840 -0.243 0.000 0.864 807 L CB 0.609 42.463 42.059 -0.341 0.000 1.067 807 L HN 0.339 nan 8.230 nan 0.000 0.477 808 G N 1.432 110.044 108.800 -0.313 0.000 2.182 808 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.248 808 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.248 808 G C -0.106 174.548 174.900 -0.410 0.000 1.042 808 G CA 0.204 45.182 45.100 -0.204 0.000 0.775 808 G HN 0.366 nan 8.290 nan 0.000 0.501 809 K N -1.579 118.272 120.400 -0.916 0.000 2.527 809 K HA 0.477 4.795 4.320 -0.003 0.000 0.260 809 K C -0.472 175.486 176.600 -1.070 0.000 0.937 809 K CA -1.062 54.775 56.287 -0.750 0.000 0.826 809 K CB 1.411 33.734 32.500 -0.296 0.000 1.359 809 K HN 0.139 nan 8.250 nan 0.000 0.434 810 W N 2.271 123.071 121.300 -0.833 0.000 2.181 810 W HA 0.119 4.777 4.660 -0.003 0.000 0.335 810 W C 0.594 176.766 176.519 -0.579 0.000 1.310 810 W CA 0.405 57.197 57.345 -0.921 0.000 1.226 810 W CB 0.318 28.665 29.460 -1.855 0.000 1.155 810 W HN 0.405 nan 8.180 nan 0.000 0.565 811 H N 1.807 120.621 119.070 -0.427 0.000 2.658 811 H HA 0.401 4.955 4.556 -0.003 0.000 0.337 811 H C -1.178 174.056 175.328 -0.157 0.000 1.009 811 H CA -0.869 54.934 56.048 -0.407 0.000 1.231 811 H CB 1.348 30.758 29.762 -0.588 0.000 1.508 811 H HN 0.176 nan 8.280 nan 0.000 0.517 812 V N 6.080 125.976 119.914 -0.029 0.000 2.339 812 V HA 0.017 4.136 4.120 -0.003 0.000 0.261 812 V C 0.431 176.317 176.094 -0.347 0.000 1.058 812 V CA -0.110 62.131 62.300 -0.098 0.000 0.897 812 V CB 0.681 32.503 31.823 -0.003 0.000 1.052 812 V HN 0.745 nan 8.190 nan 0.000 0.480 813 E N 4.017 123.979 120.200 -0.396 0.000 2.338 813 E HA 0.475 4.824 4.350 -0.003 0.000 0.272 813 E C 0.354 176.981 176.600 0.045 0.000 1.029 813 E CA -0.536 55.633 56.400 -0.385 0.000 0.872 813 E CB 1.103 30.711 29.700 -0.153 0.000 1.015 813 E HN 0.778 nan 8.360 nan 0.000 0.417 814 A N 3.425 126.278 122.820 0.054 0.000 2.524 814 A HA 0.495 4.814 4.320 -0.003 0.000 0.250 814 A C 0.564 178.229 177.584 0.135 0.000 1.078 814 A CA 0.854 52.964 52.037 0.121 0.000 0.761 814 A CB 0.016 19.074 19.000 0.096 0.000 1.012 814 A HN 0.811 nan 8.150 nan 0.000 0.500 815 G N 1.576 110.481 108.800 0.175 0.000 2.351 815 G HA2 0.391 4.349 3.960 -0.003 0.000 0.279 815 G HA3 0.391 4.349 3.960 -0.003 0.000 0.279 815 G C -1.423 173.461 174.900 -0.026 0.000 1.297 815 G CA -0.707 44.409 45.100 0.027 0.000 0.886 815 G HN 0.744 nan 8.290 nan 0.000 0.493 816 E N 0.080 120.106 120.200 -0.291 0.000 2.151 816 E HA 0.584 4.932 4.350 -0.003 0.000 0.275 816 E C -1.423 174.801 176.600 -0.625 0.000 0.936 816 E CA -0.411 55.816 56.400 -0.289 0.000 0.777 816 E CB 2.055 31.646 29.700 -0.181 0.000 1.108 816 E HN 0.430 nan 8.360 nan 0.000 0.401 817 Y N 1.094 121.129 120.300 -0.442 0.000 2.598 817 Y HA 0.527 5.075 4.550 -0.003 0.000 0.340 817 Y C -0.451 175.169 175.900 -0.468 0.000 1.038 817 Y CA -1.169 56.625 58.100 -0.509 0.000 1.100 817 Y CB 1.578 39.587 38.460 -0.752 0.000 1.281 817 Y HN 0.361 nan 8.280 nan 0.000 0.488 818 L N 1.289 122.497 121.223 -0.025 0.000 2.410 818 L HA 0.622 4.960 4.340 -0.003 0.000 0.270 818 L C -1.219 175.690 176.870 0.066 0.000 0.983 818 L CA -0.676 54.176 54.840 0.021 0.000 0.822 818 L CB 2.133 44.190 42.059 -0.004 0.000 1.285 818 L HN 0.471 nan 8.230 nan 0.000 0.409 819 V N 3.485 123.380 119.914 -0.032 0.000 2.394 819 V HA 0.652 4.771 4.120 -0.003 0.000 0.282 819 V C -0.413 175.527 176.094 -0.258 0.000 1.031 819 V CA -0.013 62.066 62.300 -0.368 0.000 0.881 819 V CB 1.713 33.207 31.823 -0.549 0.000 0.982 819 V HN 0.852 nan 8.190 nan 0.000 0.451 820 S N 5.445 121.037 115.700 -0.180 0.000 2.478 820 S HA 0.701 5.169 4.470 -0.003 0.000 0.312 820 S C -0.631 173.981 174.600 0.020 0.000 1.094 820 S CA -0.511 57.661 58.200 -0.046 0.000 1.081 820 S CB 1.666 64.887 63.200 0.035 0.000 1.007 820 S HN 0.609 nan 8.310 nan 0.000 0.475 821 V N 2.378 122.290 119.914 -0.003 0.000 2.628 821 V HA 0.991 5.109 4.120 -0.003 0.000 0.306 821 V C 0.634 176.759 176.094 0.052 0.000 1.045 821 V CA -0.233 62.085 62.300 0.029 0.000 0.905 821 V CB 1.580 33.386 31.823 -0.029 0.000 0.997 821 V HN 1.061 nan 8.190 nan 0.000 0.436 822 G N 1.889 110.736 108.800 0.079 0.000 2.427 822 G HA2 0.472 4.430 3.960 -0.003 0.000 0.306 822 G HA3 0.472 4.430 3.960 -0.003 0.000 0.306 822 G C 0.027 174.946 174.900 0.032 0.000 1.280 822 G CA 0.365 45.498 45.100 0.055 0.000 0.837 822 G HN 0.783 nan 8.290 nan 0.000 0.482 823 T N -2.727 111.826 114.554 -0.002 0.000 3.040 823 T HA 0.555 4.903 4.350 -0.003 0.000 0.266 823 T C 0.694 175.332 174.700 -0.103 0.000 1.005 823 T CA 1.001 63.053 62.100 -0.080 0.000 0.906 823 T CB -0.189 68.616 68.868 -0.104 0.000 1.082 823 T HN 1.881 nan 8.240 nan 0.000 0.531 824 S N 0.181 115.878 115.700 -0.005 0.000 2.611 824 S HA 0.447 4.916 4.470 -0.003 0.000 0.268 824 S C 0.959 175.598 174.600 0.066 0.000 1.156 824 S CA 0.074 58.286 58.200 0.020 0.000 0.817 824 S CB 1.042 64.292 63.200 0.083 0.000 1.122 824 S HN 0.318 nan 8.310 nan 0.000 0.466 825 S N -0.257 115.475 115.700 0.053 0.000 2.465 825 S HA -0.094 4.374 4.470 -0.003 0.000 0.241 825 S C 0.746 175.229 174.600 -0.195 0.000 1.000 825 S CA 1.819 59.873 58.200 -0.242 0.000 0.964 825 S CB -0.628 62.471 63.200 -0.168 0.000 0.763 825 S HN 0.806 nan 8.310 nan 0.000 0.512 826 D N 0.578 120.958 120.400 -0.034 0.000 2.469 826 D HA 0.170 4.808 4.640 -0.003 0.000 0.215 826 D C -0.663 175.649 176.300 0.020 0.000 1.154 826 D CA -0.148 53.850 54.000 -0.003 0.000 0.832 826 D CB 0.253 41.076 40.800 0.038 0.000 1.008 826 D HN 0.210 nan 8.370 nan 0.000 0.506 827 D N 1.255 121.665 120.400 0.017 0.000 2.772 827 D HA 0.111 4.750 4.640 -0.003 0.000 0.326 827 D C -0.172 176.136 176.300 0.015 0.000 1.207 827 D CA -0.375 53.643 54.000 0.030 0.000 0.777 827 D CB 0.782 41.610 40.800 0.048 0.000 1.169 827 D HN 0.131 nan 8.370 nan 0.000 0.506 828 I N 1.668 122.236 120.570 -0.004 0.000 2.471 828 I HA 0.087 4.256 4.170 -0.003 0.000 0.286 828 I C 1.538 177.657 176.117 0.004 0.000 1.079 828 I CA 0.100 61.401 61.300 0.001 0.000 1.398 828 I CB 1.142 39.129 38.000 -0.022 0.000 1.403 828 I HN 0.193 nan 8.210 nan 0.000 0.530 829 L N 4.105 125.332 121.223 0.006 0.000 2.731 829 L HA 0.225 4.564 4.340 -0.003 0.000 0.240 829 L C 0.490 177.357 176.870 -0.005 0.000 1.120 829 L CA 0.290 55.133 54.840 0.004 0.000 0.913 829 L CB 0.460 42.525 42.059 0.011 0.000 1.213 829 L HN 0.660 nan 8.230 nan 0.000 0.515 830 S N 0.259 115.950 115.700 -0.016 0.000 2.582 830 S HA 0.512 4.980 4.470 -0.003 0.000 0.287 830 S C -1.192 173.373 174.600 -0.059 0.000 1.146 830 S CA -0.557 57.624 58.200 -0.032 0.000 0.941 830 S CB 1.510 64.691 63.200 -0.032 0.000 1.115 830 S HN 0.002 nan 8.310 nan 0.000 0.458 831 V N 2.014 121.885 119.914 -0.073 0.000 3.049 831 V HA 0.962 5.080 4.120 -0.003 0.000 0.309 831 V C -1.416 174.593 176.094 -0.142 0.000 1.148 831 V CA -0.794 61.440 62.300 -0.109 0.000 0.990 831 V CB 2.113 33.894 31.823 -0.071 0.000 1.039 831 V HN 0.800 nan 8.190 nan 0.000 0.430 832 K N 1.534 121.799 120.400 -0.225 0.000 2.435 832 K HA 0.656 4.974 4.320 -0.003 0.000 0.251 832 K C -0.993 175.576 176.600 -0.051 0.000 0.954 832 K CA -0.404 55.749 56.287 -0.223 0.000 0.820 832 K CB 2.230 34.369 32.500 -0.602 0.000 1.292 832 K HN 1.082 nan 8.250 nan 0.000 0.436 833 E N 2.494 122.756 120.200 0.103 0.000 2.202 833 E HA 0.628 4.976 4.350 -0.003 0.000 0.272 833 E C -1.190 175.684 176.600 0.458 0.000 0.951 833 E CA -0.716 55.793 56.400 0.181 0.000 0.813 833 E CB 0.796 30.545 29.700 0.082 0.000 1.151 833 E HN 0.408 nan 8.360 nan 0.000 0.398 834 F N 0.320 120.436 119.950 0.277 0.000 2.664 834 F HA 0.642 5.167 4.527 -0.003 0.000 0.317 834 F C -0.981 174.968 175.800 0.249 0.000 1.108 834 F CA -1.380 56.792 58.000 0.286 0.000 0.957 834 F CB 1.365 40.576 39.000 0.352 0.000 1.365 834 F HN 0.378 nan 8.300 nan 0.000 0.475 835 K N 1.026 121.625 120.400 0.331 0.000 2.259 835 K HA 0.770 5.088 4.320 -0.003 0.000 0.252 835 K C -1.953 174.822 176.600 0.291 0.000 0.936 835 K CA -0.850 55.564 56.287 0.213 0.000 0.810 835 K CB 2.220 34.807 32.500 0.144 0.000 1.143 835 K HN 0.667 nan 8.250 nan 0.000 0.427 836 V N 4.468 124.537 119.914 0.259 0.000 2.378 836 V HA 0.187 4.305 4.120 -0.003 0.000 0.288 836 V C 0.355 176.537 176.094 0.147 0.000 1.016 836 V CA -0.589 61.841 62.300 0.216 0.000 0.840 836 V CB 1.397 33.340 31.823 0.200 0.000 0.994 836 V HN 0.886 nan 8.190 nan 0.000 0.431 837 E N 2.728 122.993 120.200 0.109 0.000 2.086 837 E HA -0.008 4.340 4.350 -0.003 0.000 0.190 837 E C 0.780 177.424 176.600 0.074 0.000 0.975 837 E CA 0.502 56.952 56.400 0.083 0.000 0.813 837 E CB 0.430 30.170 29.700 0.067 0.000 0.768 837 E HN 0.499 nan 8.360 nan 0.000 0.457 838 K N 2.694 123.134 120.400 0.066 0.000 2.266 838 K HA 0.047 4.365 4.320 -0.003 0.000 0.274 838 K C -0.012 176.617 176.600 0.049 0.000 1.090 838 K CA -0.209 56.111 56.287 0.055 0.000 0.925 838 K CB 0.554 33.078 32.500 0.040 0.000 1.225 838 K HN 0.018 nan 8.250 nan 0.000 0.458 839 E N 3.888 124.123 120.200 0.059 0.000 2.408 839 E HA 0.110 4.458 4.350 -0.003 0.000 0.259 839 E C -1.062 175.551 176.600 0.022 0.000 1.110 839 E CA -0.525 55.895 56.400 0.034 0.000 0.929 839 E CB 0.777 30.530 29.700 0.087 0.000 0.971 839 E HN 0.347 nan 8.360 nan 0.000 0.438 840 L N 2.632 123.843 121.223 -0.021 0.000 2.526 840 L HA 0.400 4.738 4.340 -0.003 0.000 0.263 840 L C -2.129 174.770 176.870 0.048 0.000 0.943 840 L CA -0.525 54.350 54.840 0.058 0.000 0.859 840 L CB 1.649 43.769 42.059 0.101 0.000 1.313 840 L HN 0.582 nan 8.230 nan 0.000 0.406 841 Y N 4.438 124.895 120.300 0.262 0.000 2.409 841 Y HA 0.794 5.343 4.550 -0.003 0.000 0.339 841 Y C -0.524 175.566 175.900 0.317 0.000 1.033 841 Y CA -0.091 58.128 58.100 0.198 0.000 1.094 841 Y CB 1.660 40.131 38.460 0.018 0.000 1.210 841 Y HN 0.678 nan 8.280 nan 0.000 0.456 842 W N 1.238 122.709 121.300 0.285 0.000 3.074 842 W HA 0.765 5.424 4.660 -0.003 0.000 0.332 842 W C -2.248 174.491 176.519 0.367 0.000 1.253 842 W CA -1.213 56.280 57.345 0.247 0.000 1.180 842 W CB 1.572 31.129 29.460 0.161 0.000 1.445 842 W HN 0.459 nan 8.180 nan 0.000 0.573 843 K N 0.488 121.232 120.400 0.574 0.000 2.466 843 K HA 0.678 4.996 4.320 -0.003 0.000 0.260 843 K C 0.151 177.134 176.600 0.638 0.000 1.011 843 K CA 0.149 56.741 56.287 0.509 0.000 0.871 843 K CB 2.425 35.114 32.500 0.316 0.000 1.404 843 K HN 1.023 nan 8.250 nan 0.000 0.450 844 G N 0.279 109.451 108.800 0.621 0.000 2.545 844 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.216 844 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.216 844 G C -1.347 173.806 174.900 0.421 0.000 1.314 844 G CA -0.730 44.693 45.100 0.538 0.000 0.906 844 G HN 0.270 nan 8.290 nan 0.000 0.563 845 L N 0.000 121.321 121.223 0.164 0.000 2.949 845 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 845 L CA 0.000 54.794 54.840 -0.077 0.000 0.813 845 L CB 0.000 41.978 42.059 -0.134 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502