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 3l2f_1_C DATA FIRST_RESID 24 DATA SEQUENCE KFKAADNFPD LSKHNNVMAS QLTKELYEKY WDKVTPNGVT FDKCIQTGVD DATA SEQUENCE NPGNKFYGKK TGCVFGDEYS YECYKEFFDK CIEEIHHFKP SDKHPAPDLD DATA SEQUENCE HNKLVGGVFE DKYVKSCRIR CGRSVKGVCL PPAMSRAERR LVEKVVSDAL DATA SEQUENCE GGLKGDLAGK YYPLTTMNEK DQEQLIEDHF LFEKPTGALL TTSGCARDWP DATA SEQUENCE DGRGIWHNNE KNFLVWINEE DHIRVISMQK GGDLKAVFSR FARGLLEVER DATA SEQUENCE LMKECGHGLM HNDRLGYICT CPTNMGTVVR ASVHLRLAFL EKHPRFDEML DATA SEQUENCE GKLRLGKRGT GGESSLATDS TYDISNWARL GKSERELVQV LVDGVNLLIA DATA SEQUENCE CDKKLEAGQS IDDMIPK 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.425 176.600 -0.292 0.000 0.988 24 K CA 0.000 56.089 56.287 -0.331 0.000 0.838 24 K CB 0.000 32.097 32.500 -0.671 0.000 1.064 25 F N 3.776 123.810 119.950 0.140 0.000 2.399 25 F HA 0.471 4.998 4.527 -0.000 0.000 0.334 25 F C 0.652 176.523 175.800 0.119 0.000 1.097 25 F CA -0.561 57.511 58.000 0.119 0.000 1.076 25 F CB 1.170 40.257 39.000 0.145 0.000 1.162 25 F HN -0.144 nan 8.300 nan 0.000 0.495 26 K N 0.931 121.434 120.400 0.171 0.000 2.109 26 K HA 0.590 4.910 4.320 -0.000 0.000 0.243 26 K C 0.793 177.115 176.600 -0.463 0.000 1.006 26 K CA -0.381 55.889 56.287 -0.029 0.000 0.917 26 K CB 0.841 33.322 32.500 -0.033 0.000 1.081 26 K HN 0.661 nan 8.250 nan 0.000 0.468 27 A N 0.802 123.173 122.820 -0.749 0.000 2.067 27 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 27 A C 2.021 179.361 177.584 -0.407 0.000 1.158 27 A CA 1.922 53.243 52.037 -1.194 0.000 0.661 27 A CB -0.716 17.682 19.000 -1.003 0.000 0.801 27 A HN 0.753 nan 8.150 nan 0.000 0.452 28 A N -0.221 122.446 122.820 -0.255 0.000 1.930 28 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 28 A C 1.706 179.231 177.584 -0.098 0.000 1.176 28 A CA 1.409 53.362 52.037 -0.139 0.000 0.632 28 A CB -0.366 18.564 19.000 -0.116 0.000 0.819 28 A HN 0.400 nan 8.150 nan 0.000 0.445 29 D N -0.164 120.169 120.400 -0.112 0.000 2.182 29 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 29 D C 1.382 177.590 176.300 -0.154 0.000 0.986 29 D CA 1.360 55.312 54.000 -0.080 0.000 0.847 29 D CB -0.173 40.644 40.800 0.028 0.000 0.942 29 D HN 0.463 nan 8.370 nan 0.000 0.467 30 N N -0.958 117.629 118.700 -0.190 0.000 2.356 30 N HA -0.023 4.717 4.740 -0.000 0.000 0.178 30 N C -0.205 175.147 175.510 -0.263 0.000 1.075 30 N CA -0.302 52.650 53.050 -0.163 0.000 0.889 30 N CB 0.052 38.530 38.487 -0.014 0.000 0.999 30 N HN -0.069 nan 8.380 nan 0.000 0.464 31 F N 4.074 123.733 119.950 -0.484 0.000 2.569 31 F HA 0.085 4.612 4.527 -0.000 0.000 0.395 31 F C -1.651 173.853 175.800 -0.493 0.000 1.028 31 F CA -2.261 55.311 58.000 -0.712 0.000 1.158 31 F CB 0.015 38.735 39.000 -0.466 0.000 1.023 31 F HN 0.113 nan 8.300 nan 0.000 0.547 32 P HA -0.030 nan 4.420 nan 0.000 0.267 32 P C -0.954 175.872 177.300 -0.789 0.000 1.200 32 P CA -0.133 62.498 63.100 -0.782 0.000 0.772 32 P CB 0.649 31.891 31.700 -0.763 0.000 0.855 33 D N 2.221 122.355 120.400 -0.444 0.000 2.313 33 D HA 0.159 4.798 4.640 -0.000 0.000 0.239 33 D C 0.158 176.259 176.300 -0.332 0.000 1.142 33 D CA -0.293 53.524 54.000 -0.304 0.000 0.847 33 D CB 0.168 40.886 40.800 -0.137 0.000 1.082 33 D HN 0.232 nan 8.370 nan 0.000 0.480 34 L N 3.174 124.175 121.223 -0.371 0.000 3.017 34 L HA 0.151 4.491 4.340 -0.000 0.000 0.255 34 L C 1.862 178.727 176.870 -0.008 0.000 1.247 34 L CA -0.322 54.216 54.840 -0.504 0.000 1.038 34 L CB 0.177 41.907 42.059 -0.548 0.000 1.380 34 L HN 0.257 nan 8.230 nan 0.000 0.548 35 S N 0.921 116.657 115.700 0.060 0.000 2.374 35 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 35 S C 1.811 176.484 174.600 0.122 0.000 1.037 35 S CA 1.705 59.952 58.200 0.079 0.000 1.024 35 S CB 0.015 63.241 63.200 0.044 0.000 0.861 35 S HN 0.520 nan 8.310 nan 0.000 0.456 36 K N -0.090 120.425 120.400 0.191 0.000 2.379 36 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 36 K C -0.200 176.401 176.600 0.002 0.000 1.031 36 K CA 0.136 56.443 56.287 0.032 0.000 1.037 36 K CB 0.063 32.504 32.500 -0.099 0.000 0.824 36 K HN 0.404 nan 8.250 nan 0.000 0.516 37 H N 1.192 120.246 119.070 -0.027 0.000 2.629 37 H HA 0.180 4.736 4.556 -0.000 0.000 0.357 37 H C -0.661 174.668 175.328 0.001 0.000 1.121 37 H CA -0.346 55.691 56.048 -0.018 0.000 1.406 37 H CB 0.533 30.276 29.762 -0.032 0.000 1.456 37 H HN 0.035 nan 8.280 nan 0.000 0.579 38 N N 1.827 120.596 118.700 0.115 0.000 2.690 38 N HA 0.159 4.899 4.740 -0.000 0.000 0.255 38 N C -1.634 173.934 175.510 0.097 0.000 1.195 38 N CA -0.593 52.509 53.050 0.088 0.000 0.790 38 N CB 0.237 38.755 38.487 0.052 0.000 1.216 38 N HN 0.813 nan 8.380 nan 0.000 0.528 39 N N -0.394 118.374 118.700 0.112 0.000 2.961 39 N HA 0.118 4.858 4.740 -0.000 0.000 0.245 39 N C 0.088 175.672 175.510 0.124 0.000 1.404 39 N CA -0.838 52.283 53.050 0.118 0.000 0.880 39 N CB 0.727 39.284 38.487 0.116 0.000 1.461 39 N HN -0.128 nan 8.380 nan 0.000 0.510 40 V N -0.001 119.994 119.914 0.135 0.000 2.332 40 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 40 V C 2.376 178.569 176.094 0.165 0.000 1.055 40 V CA 2.112 64.496 62.300 0.142 0.000 1.038 40 V CB -0.733 31.173 31.823 0.138 0.000 0.651 40 V HN 0.841 nan 8.190 nan 0.000 0.450 41 M N 0.814 120.530 119.600 0.193 0.000 2.149 41 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 41 M C 2.112 178.526 176.300 0.189 0.000 1.064 41 M CA 2.615 58.087 55.300 0.288 0.000 1.102 41 M CB -0.850 31.907 32.600 0.261 0.000 1.369 41 M HN 0.331 nan 8.290 nan 0.000 0.408 42 A N -0.692 122.190 122.820 0.103 0.000 2.015 42 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 42 A C 2.254 179.890 177.584 0.088 0.000 1.163 42 A CA 1.960 54.025 52.037 0.047 0.000 0.646 42 A CB -0.756 18.271 19.000 0.045 0.000 0.806 42 A HN 0.623 nan 8.150 nan 0.000 0.448 43 S N -0.539 115.232 115.700 0.117 0.000 2.395 43 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 43 S C 1.923 176.609 174.600 0.144 0.000 1.027 43 S CA 1.141 59.410 58.200 0.115 0.000 0.965 43 S CB -0.100 63.165 63.200 0.107 0.000 0.812 43 S HN 0.632 nan 8.310 nan 0.000 0.482 44 Q N 0.058 119.978 119.800 0.201 0.000 2.384 44 Q HA 0.278 4.618 4.340 -0.000 0.000 0.207 44 Q C 0.102 176.311 176.000 0.348 0.000 0.904 44 Q CA -0.039 55.919 55.803 0.258 0.000 0.933 44 Q CB -0.300 28.590 28.738 0.255 0.000 1.077 44 Q HN 0.344 nan 8.270 nan 0.000 0.522 45 L N 2.752 124.163 121.223 0.312 0.000 2.360 45 L HA 0.188 4.528 4.340 -0.000 0.000 0.276 45 L C 0.077 177.109 176.870 0.270 0.000 1.121 45 L CA 0.358 55.364 54.840 0.275 0.000 0.845 45 L CB 0.889 43.029 42.059 0.136 0.000 1.143 45 L HN 0.090 nan 8.230 nan 0.000 0.452 46 T N 0.574 115.274 114.554 0.244 0.000 2.932 46 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 46 T C 0.920 175.579 174.700 -0.068 0.000 1.039 46 T CA -0.808 61.356 62.100 0.106 0.000 1.024 46 T CB 1.387 70.290 68.868 0.059 0.000 1.090 46 T HN 0.621 nan 8.240 nan 0.000 0.496 47 K N 0.331 120.457 120.400 -0.457 0.000 2.057 47 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 47 K C 2.195 178.615 176.600 -0.299 0.000 1.049 47 K CA 1.558 57.363 56.287 -0.803 0.000 0.931 47 K CB -0.119 31.936 32.500 -0.743 0.000 0.714 47 K HN 0.826 nan 8.250 nan 0.000 0.440 48 E N 1.404 121.498 120.200 -0.176 0.000 2.070 48 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 48 E C 2.018 178.573 176.600 -0.076 0.000 1.004 48 E CA 1.264 57.602 56.400 -0.103 0.000 0.805 48 E CB -0.065 29.590 29.700 -0.074 0.000 0.744 48 E HN 0.268 nan 8.360 nan 0.000 0.451 49 L N -0.196 121.017 121.223 -0.017 0.000 2.056 49 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 49 L C 2.670 179.575 176.870 0.059 0.000 1.078 49 L CA 1.406 56.240 54.840 -0.009 0.000 0.749 49 L CB -0.636 41.517 42.059 0.157 0.000 0.901 49 L HN 0.257 nan 8.230 nan 0.000 0.433 50 Y N 0.976 121.354 120.300 0.131 0.000 2.097 50 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 50 Y C 2.794 178.811 175.900 0.195 0.000 1.152 50 Y CA 1.991 60.280 58.100 0.314 0.000 1.136 50 Y CB -0.185 38.503 38.460 0.379 0.000 0.975 50 Y HN 0.143 nan 8.280 nan 0.000 0.498 51 E N 1.022 121.286 120.200 0.107 0.000 2.130 51 E HA -0.309 4.041 4.350 -0.000 0.000 0.196 51 E C 2.195 178.829 176.600 0.058 0.000 0.998 51 E CA 1.826 58.242 56.400 0.026 0.000 0.806 51 E CB -0.321 29.353 29.700 -0.043 0.000 0.738 51 E HN 0.592 nan 8.360 nan 0.000 0.459 52 K N -0.969 119.366 120.400 -0.109 0.000 2.057 52 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 52 K C 1.827 178.289 176.600 -0.231 0.000 1.049 52 K CA 1.474 57.604 56.287 -0.262 0.000 0.931 52 K CB -0.181 31.977 32.500 -0.570 0.000 0.714 52 K HN 0.233 nan 8.250 nan 0.000 0.440 53 Y N -0.918 119.252 120.300 -0.217 0.000 2.462 53 Y HA -0.012 4.538 4.550 -0.000 0.000 0.253 53 Y C 1.870 177.604 175.900 -0.276 0.000 1.095 53 Y CA -0.455 57.396 58.100 -0.415 0.000 1.283 53 Y CB 0.232 37.928 38.460 -1.273 0.000 1.138 53 Y HN 0.301 nan 8.280 nan 0.000 0.522 54 W N 2.392 123.517 121.300 -0.292 0.000 2.364 54 W HA -0.169 4.491 4.660 -0.000 0.000 0.281 54 W C 0.008 176.471 176.519 -0.094 0.000 1.219 54 W CA 1.628 58.758 57.345 -0.357 0.000 1.220 54 W CB -0.538 28.456 29.460 -0.776 0.000 1.127 54 W HN 0.295 nan 8.180 nan 0.000 0.556 55 D N 0.147 120.110 120.400 -0.729 0.000 2.559 55 D HA 0.148 4.788 4.640 -0.000 0.000 0.234 55 D C -0.227 175.927 176.300 -0.243 0.000 1.226 55 D CA -0.188 53.398 54.000 -0.692 0.000 0.830 55 D CB -0.413 39.897 40.800 -0.817 0.000 1.028 55 D HN 0.105 nan 8.370 nan 0.000 0.492 56 K N 0.566 120.927 120.400 -0.065 0.000 2.207 56 K HA 0.565 4.885 4.320 -0.000 0.000 0.255 56 K C -1.398 175.277 176.600 0.124 0.000 0.941 56 K CA -0.723 55.590 56.287 0.044 0.000 0.825 56 K CB 1.956 34.535 32.500 0.131 0.000 1.119 56 K HN -0.101 nan 8.250 nan 0.000 0.430 57 V N 1.570 121.511 119.914 0.045 0.000 3.007 57 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 57 V C 0.086 176.175 176.094 -0.009 0.000 1.120 57 V CA -1.042 61.299 62.300 0.068 0.000 0.980 57 V CB 1.751 33.586 31.823 0.021 0.000 1.033 57 V HN 1.029 nan 8.190 nan 0.000 0.429 58 T N 0.365 114.932 114.554 0.021 0.000 2.816 58 T HA 0.324 4.674 4.350 -0.000 0.000 0.282 58 T C -1.641 172.984 174.700 -0.125 0.000 0.993 58 T CA -1.345 60.715 62.100 -0.066 0.000 0.994 58 T CB 1.191 70.093 68.868 0.056 0.000 1.025 58 T HN 0.476 nan 8.240 nan 0.000 0.529 59 P HA -0.047 nan 4.420 nan 0.000 0.217 59 P C 1.190 178.423 177.300 -0.113 0.000 1.148 59 P CA 0.890 63.830 63.100 -0.267 0.000 0.828 59 P CB 0.020 31.401 31.700 -0.531 0.000 0.783 60 N N -2.082 116.596 118.700 -0.037 0.000 2.422 60 N HA 0.047 4.787 4.740 -0.000 0.000 0.181 60 N C 1.433 176.979 175.510 0.060 0.000 1.080 60 N CA 1.294 54.378 53.050 0.055 0.000 0.893 60 N CB 0.365 38.939 38.487 0.145 0.000 0.973 60 N HN 0.196 nan 8.380 nan 0.000 0.456 61 G N -0.446 108.386 108.800 0.053 0.000 2.284 61 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.201 61 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.201 61 G C -0.026 174.930 174.900 0.093 0.000 0.998 61 G CA -0.092 45.043 45.100 0.059 0.000 0.651 61 G HN 0.125 nan 8.290 nan 0.000 0.489 62 V N 3.630 123.627 119.914 0.137 0.000 2.506 62 V HA 0.364 4.484 4.120 -0.000 0.000 0.296 62 V C 1.465 177.702 176.094 0.237 0.000 1.004 62 V CA 1.114 63.531 62.300 0.194 0.000 1.150 62 V CB 0.051 32.033 31.823 0.265 0.000 0.911 62 V HN 0.784 nan 8.190 nan 0.000 0.476 63 T N 2.295 116.960 114.554 0.184 0.000 2.849 63 T HA 0.380 4.730 4.350 -0.000 0.000 0.276 63 T C 0.729 175.488 174.700 0.099 0.000 0.971 63 T CA -0.346 61.854 62.100 0.167 0.000 0.949 63 T CB 0.846 69.762 68.868 0.079 0.000 1.093 63 T HN 0.293 nan 8.240 nan 0.000 0.545 64 F N 0.978 120.758 119.950 -0.285 0.000 2.149 64 F HA 0.091 4.618 4.527 -0.000 0.000 0.294 64 F C 1.867 177.490 175.800 -0.295 0.000 1.095 64 F CA 0.941 58.539 58.000 -0.669 0.000 1.276 64 F CB -0.882 37.718 39.000 -0.666 0.000 1.023 64 F HN 0.537 nan 8.300 nan 0.000 0.480 65 D N 0.555 120.884 120.400 -0.118 0.000 2.133 65 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 65 D C 2.255 178.496 176.300 -0.098 0.000 1.001 65 D CA 1.201 55.148 54.000 -0.089 0.000 0.844 65 D CB -0.307 40.523 40.800 0.049 0.000 0.944 65 D HN 0.070 nan 8.370 nan 0.000 0.447 66 K N 0.789 121.170 120.400 -0.032 0.000 2.001 66 K HA -0.104 4.216 4.320 -0.000 0.000 0.214 66 K C 2.223 178.822 176.600 -0.002 0.000 1.050 66 K CA 0.898 57.193 56.287 0.013 0.000 0.934 66 K CB -1.014 31.529 32.500 0.072 0.000 0.718 66 K HN 0.225 nan 8.250 nan 0.000 0.443 67 C N 0.730 120.025 119.300 -0.008 0.000 2.410 67 C HA -0.065 4.395 4.460 -0.000 0.000 0.281 67 C C 2.458 177.419 174.990 -0.048 0.000 1.318 67 C CA 0.850 59.894 59.018 0.043 0.000 1.776 67 C CB -0.995 26.847 27.740 0.170 0.000 1.942 67 C HN 0.650 nan 8.230 nan 0.000 0.508 68 I N -1.558 118.885 120.570 -0.212 0.000 4.057 68 I HA 0.143 4.313 4.170 -0.000 0.000 0.334 68 I C 2.152 178.187 176.117 -0.137 0.000 1.308 68 I CA 0.401 61.571 61.300 -0.217 0.000 1.125 68 I CB -0.616 37.105 38.000 -0.464 0.000 1.034 68 I HN 0.026 nan 8.210 nan 0.000 0.401 69 Q N 1.656 121.395 119.800 -0.102 0.000 2.290 69 Q HA -0.247 4.093 4.340 -0.000 0.000 0.211 69 Q C 2.165 178.147 176.000 -0.031 0.000 0.991 69 Q CA 2.761 58.527 55.803 -0.062 0.000 0.893 69 Q CB -0.651 28.068 28.738 -0.031 0.000 0.913 69 Q HN 0.607 nan 8.270 nan 0.000 0.428 70 T N -2.257 112.288 114.554 -0.014 0.000 2.904 70 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 70 T C 1.426 176.140 174.700 0.024 0.000 1.059 70 T CA 1.288 63.394 62.100 0.010 0.000 1.137 70 T CB -0.319 68.562 68.868 0.022 0.000 0.879 70 T HN 0.489 nan 8.240 nan 0.000 0.467 71 G N 0.210 109.022 108.800 0.021 0.000 2.492 71 G HA2 0.020 3.980 3.960 -0.000 0.000 0.214 71 G HA3 0.020 3.980 3.960 -0.000 0.000 0.214 71 G C 1.625 176.584 174.900 0.099 0.000 1.147 71 G CA 0.677 45.810 45.100 0.055 0.000 0.809 71 G HN 0.468 nan 8.290 nan 0.000 0.533 72 V N 1.989 121.916 119.914 0.022 0.000 2.295 72 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 72 V C 2.125 178.301 176.094 0.136 0.000 1.049 72 V CA 2.017 64.353 62.300 0.061 0.000 1.024 72 V CB -0.411 31.366 31.823 -0.077 0.000 0.648 72 V HN 0.264 nan 8.190 nan 0.000 0.447 73 D N 0.315 120.742 120.400 0.045 0.000 2.378 73 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 73 D C 0.442 176.743 176.300 0.002 0.000 1.012 73 D CA 0.568 54.577 54.000 0.015 0.000 0.905 73 D CB -0.277 40.524 40.800 0.002 0.000 0.895 73 D HN 0.450 nan 8.370 nan 0.000 0.532 74 N N 0.536 119.249 118.700 0.022 0.000 2.711 74 N HA 0.083 4.823 4.740 -0.000 0.000 0.263 74 N C -1.953 173.543 175.510 -0.023 0.000 1.667 74 N CA -0.831 52.218 53.050 -0.002 0.000 0.785 74 N CB 1.974 40.477 38.487 0.028 0.000 1.231 74 N HN -0.002 nan 8.380 nan 0.000 0.503 75 P HA -0.069 nan 4.420 nan 0.000 0.219 75 P C 0.702 177.938 177.300 -0.108 0.000 1.146 75 P CA 1.130 64.042 63.100 -0.312 0.000 0.808 75 P CB 0.773 32.118 31.700 -0.592 0.000 0.779 76 G N -0.882 107.871 108.800 -0.078 0.000 2.949 76 G HA2 0.478 4.438 3.960 -0.000 0.000 0.285 76 G HA3 0.478 4.438 3.960 -0.000 0.000 0.285 76 G C -1.769 173.122 174.900 -0.015 0.000 1.395 76 G CA -0.422 44.656 45.100 -0.038 0.000 0.901 76 G HN 0.085 nan 8.290 nan 0.000 0.519 77 N N -0.923 117.771 118.700 -0.010 0.000 2.480 77 N HA 0.248 4.988 4.740 -0.000 0.000 0.289 77 N C 0.598 176.052 175.510 -0.094 0.000 1.073 77 N CA -0.616 52.437 53.050 0.006 0.000 0.885 77 N CB 2.058 40.599 38.487 0.090 0.000 1.421 77 N HN 0.384 nan 8.380 nan 0.000 0.503 78 K N 1.586 121.819 120.400 -0.278 0.000 2.360 78 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 78 K C -0.197 175.955 176.600 -0.747 0.000 1.046 78 K CA 1.081 57.009 56.287 -0.599 0.000 0.945 78 K CB -0.046 31.880 32.500 -0.957 0.000 0.750 78 K HN 0.398 nan 8.250 nan 0.000 0.464 79 F N -0.990 118.933 119.950 -0.045 0.000 2.697 79 F HA 0.293 4.820 4.527 -0.000 0.000 0.386 79 F C 0.409 176.212 175.800 0.004 0.000 1.154 79 F CA -1.527 56.394 58.000 -0.131 0.000 1.108 79 F CB -0.004 38.889 39.000 -0.179 0.000 1.429 79 F HN -0.194 nan 8.300 nan 0.000 0.509 80 Y N 0.709 121.175 120.300 0.277 0.000 2.526 80 Y HA 0.405 4.955 4.550 -0.000 0.000 0.330 80 Y C 0.859 176.854 175.900 0.158 0.000 1.156 80 Y CA 0.144 58.344 58.100 0.166 0.000 1.419 80 Y CB -0.280 38.270 38.460 0.149 0.000 1.250 80 Y HN 0.773 nan 8.280 nan 0.000 0.540 81 G N 2.482 111.444 108.800 0.269 0.000 2.619 81 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 81 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 81 G C -1.474 173.541 174.900 0.191 0.000 1.256 81 G CA -1.091 44.136 45.100 0.211 0.000 0.826 81 G HN 0.653 nan 8.290 nan 0.000 0.619 82 K N 0.764 121.280 120.400 0.192 0.000 2.234 82 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 82 K C 0.300 177.040 176.600 0.234 0.000 1.039 82 K CA -0.739 55.657 56.287 0.182 0.000 0.928 82 K CB 0.386 32.972 32.500 0.143 0.000 1.039 82 K HN 0.388 nan 8.250 nan 0.000 0.470 83 K N 2.108 122.608 120.400 0.168 0.000 2.087 83 K HA 0.153 4.473 4.320 -0.000 0.000 0.255 83 K C 0.999 177.674 176.600 0.125 0.000 0.988 83 K CA -0.392 55.978 56.287 0.138 0.000 0.915 83 K CB 1.352 33.919 32.500 0.110 0.000 1.043 83 K HN 0.614 nan 8.250 nan 0.000 0.457 84 T N -0.430 114.181 114.554 0.095 0.000 2.770 84 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 84 T C 1.079 175.844 174.700 0.108 0.000 1.039 84 T CA 1.075 63.231 62.100 0.094 0.000 1.142 84 T CB -0.287 68.614 68.868 0.055 0.000 0.868 84 T HN 0.871 nan 8.240 nan 0.000 0.435 85 G N 1.387 110.241 108.800 0.090 0.000 2.182 85 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 85 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 85 G C 0.227 175.182 174.900 0.091 0.000 1.042 85 G CA -0.034 45.117 45.100 0.085 0.000 0.775 85 G HN 1.357 nan 8.290 nan 0.000 0.501 86 C N -2.478 116.882 119.300 0.100 0.000 3.289 86 C HA 0.880 5.340 4.460 -0.000 0.000 0.354 86 C C 0.181 175.210 174.990 0.065 0.000 1.201 86 C CA -0.244 58.849 59.018 0.124 0.000 1.199 86 C CB 1.433 29.348 27.740 0.291 0.000 1.511 86 C HN 1.841 nan 8.230 nan 0.000 0.506 87 V N -1.592 118.344 119.914 0.035 0.000 3.139 87 V HA 0.850 4.970 4.120 -0.000 0.000 0.310 87 V C -0.860 175.074 176.094 -0.266 0.000 1.260 87 V CA -1.018 61.220 62.300 -0.103 0.000 1.064 87 V CB 1.638 33.470 31.823 0.015 0.000 1.160 87 V HN 0.902 nan 8.190 nan 0.000 0.470 88 F N 0.048 120.033 119.950 0.058 0.000 2.444 88 F HA 0.728 5.255 4.527 -0.000 0.000 0.342 88 F C 1.381 177.246 175.800 0.109 0.000 1.121 88 F CA 0.174 58.217 58.000 0.072 0.000 0.997 88 F CB 2.200 41.168 39.000 -0.054 0.000 1.130 88 F HN 0.737 nan 8.300 nan 0.000 0.454 89 G N 1.309 110.317 108.800 0.346 0.000 2.395 89 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 89 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 89 G C -0.002 175.028 174.900 0.218 0.000 1.177 89 G CA 0.894 46.142 45.100 0.247 0.000 0.794 89 G HN 0.654 nan 8.290 nan 0.000 0.532 90 D N -2.137 118.412 120.400 0.247 0.000 2.989 90 D HA 0.187 4.827 4.640 -0.000 0.000 0.284 90 D C 0.951 177.307 176.300 0.093 0.000 1.212 90 D CA -0.541 53.568 54.000 0.181 0.000 1.055 90 D CB 0.276 41.220 40.800 0.240 0.000 1.351 90 D HN -0.004 nan 8.370 nan 0.000 0.611 91 E N -1.624 118.560 120.200 -0.027 0.000 2.285 91 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 91 E C 0.683 177.123 176.600 -0.266 0.000 0.997 91 E CA 0.441 56.703 56.400 -0.230 0.000 0.845 91 E CB -0.061 29.412 29.700 -0.379 0.000 0.782 91 E HN 0.451 nan 8.360 nan 0.000 0.491 92 Y N -0.419 119.901 120.300 0.033 0.000 2.490 92 Y HA 0.156 4.706 4.550 -0.000 0.000 0.281 92 Y C 2.176 178.099 175.900 0.039 0.000 1.174 92 Y CA 0.031 58.142 58.100 0.019 0.000 1.295 92 Y CB 0.512 38.974 38.460 0.003 0.000 1.062 92 Y HN 0.005 nan 8.280 nan 0.000 0.522 93 S N -0.554 115.305 115.700 0.265 0.000 2.387 93 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 93 S C 1.762 176.692 174.600 0.551 0.000 1.026 93 S CA 0.881 59.350 58.200 0.449 0.000 0.972 93 S CB -0.461 63.163 63.200 0.707 0.000 0.814 93 S HN 0.650 nan 8.310 nan 0.000 0.477 94 Y N 2.621 123.081 120.300 0.266 0.000 2.053 94 Y HA -0.212 4.338 4.550 -0.000 0.000 0.277 94 Y C 2.218 178.296 175.900 0.298 0.000 1.159 94 Y CA 1.945 60.243 58.100 0.330 0.000 1.125 94 Y CB -0.244 38.150 38.460 -0.111 0.000 0.969 94 Y HN 0.239 nan 8.280 nan 0.000 0.492 95 E N -0.973 119.179 120.200 -0.080 0.000 2.216 95 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 95 E C 2.382 178.856 176.600 -0.209 0.000 0.988 95 E CA 0.775 57.055 56.400 -0.200 0.000 0.834 95 E CB -0.468 29.240 29.700 0.013 0.000 0.772 95 E HN 0.508 nan 8.360 nan 0.000 0.479 96 C N 0.346 119.478 119.300 -0.280 0.000 2.393 96 C HA -0.182 4.278 4.460 -0.000 0.000 0.276 96 C C 1.554 175.973 174.990 -0.953 0.000 1.215 96 C CA 0.984 59.604 59.018 -0.664 0.000 1.743 96 C CB -0.726 26.355 27.740 -1.098 0.000 2.044 96 C HN 0.429 nan 8.230 nan 0.000 0.464 97 Y N -0.323 119.722 120.300 -0.425 0.000 2.669 97 Y HA 0.230 4.780 4.550 -0.000 0.000 0.302 97 Y C 1.444 177.146 175.900 -0.329 0.000 1.000 97 Y CA -0.273 57.157 58.100 -1.117 0.000 1.222 97 Y CB -0.320 37.606 38.460 -0.891 0.000 1.209 97 Y HN 0.237 nan 8.280 nan 0.000 0.571 98 K N 1.314 121.666 120.400 -0.079 0.000 2.148 98 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 98 K C 1.599 178.281 176.600 0.136 0.000 1.050 98 K CA 1.509 57.726 56.287 -0.117 0.000 0.942 98 K CB 0.165 32.466 32.500 -0.330 0.000 0.724 98 K HN 0.474 nan 8.250 nan 0.000 0.446 99 E N -0.613 119.769 120.200 0.303 0.000 2.401 99 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 99 E C 1.335 178.142 176.600 0.345 0.000 1.023 99 E CA 0.616 57.179 56.400 0.272 0.000 0.859 99 E CB 0.014 29.822 29.700 0.181 0.000 0.780 99 E HN 0.399 nan 8.360 nan 0.000 0.523 100 F N -0.774 119.339 119.950 0.271 0.000 2.343 100 F HA 0.072 4.599 4.527 -0.000 0.000 0.286 100 F C 1.361 177.261 175.800 0.167 0.000 1.057 100 F CA 0.422 58.536 58.000 0.191 0.000 1.365 100 F CB -0.370 38.750 39.000 0.200 0.000 1.114 100 F HN -0.095 nan 8.300 nan 0.000 0.545 101 F N 1.516 121.393 119.950 -0.122 0.000 2.269 101 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 101 F C 2.105 177.926 175.800 0.035 0.000 1.082 101 F CA 1.327 59.222 58.000 -0.175 0.000 1.360 101 F CB -1.055 38.094 39.000 0.248 0.000 1.041 101 F HN 0.029 nan 8.300 nan 0.000 0.512 102 D N 0.024 120.602 120.400 0.295 0.000 2.351 102 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 102 D C 1.984 178.401 176.300 0.195 0.000 0.968 102 D CA 0.798 54.974 54.000 0.292 0.000 0.899 102 D CB -0.052 40.902 40.800 0.255 0.000 0.907 102 D HN 0.349 nan 8.370 nan 0.000 0.514 103 K N -0.321 120.140 120.400 0.101 0.000 2.099 103 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 103 K C 2.269 178.917 176.600 0.079 0.000 1.047 103 K CA 0.356 56.696 56.287 0.089 0.000 0.963 103 K CB -0.281 32.273 32.500 0.091 0.000 0.759 103 K HN 0.131 nan 8.250 nan 0.000 0.451 104 C N 1.543 120.836 119.300 -0.012 0.000 2.410 104 C HA -0.034 4.426 4.460 -0.000 0.000 0.281 104 C C 2.578 177.651 174.990 0.139 0.000 1.318 104 C CA 0.504 59.540 59.018 0.029 0.000 1.776 104 C CB -0.854 26.848 27.740 -0.064 0.000 1.942 104 C HN 0.354 nan 8.230 nan 0.000 0.508 105 I N 0.345 121.043 120.570 0.212 0.000 2.617 105 I HA -0.114 4.056 4.170 -0.000 0.000 0.256 105 I C 2.631 178.966 176.117 0.362 0.000 1.167 105 I CA 1.171 62.671 61.300 0.333 0.000 1.469 105 I CB -0.402 37.823 38.000 0.376 0.000 1.098 105 I HN 0.412 nan 8.210 nan 0.000 0.436 106 E N 1.110 121.476 120.200 0.277 0.000 2.076 106 E HA -0.258 4.092 4.350 -0.000 0.000 0.190 106 E C 2.059 178.788 176.600 0.216 0.000 0.979 106 E CA 0.983 57.530 56.400 0.245 0.000 0.807 106 E CB 0.129 29.922 29.700 0.156 0.000 0.761 106 E HN 0.411 nan 8.360 nan 0.000 0.454 107 E N 0.573 120.880 120.200 0.180 0.000 2.038 107 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 107 E C 2.033 178.809 176.600 0.294 0.000 1.000 107 E CA 1.837 58.349 56.400 0.187 0.000 0.803 107 E CB -0.151 29.643 29.700 0.157 0.000 0.750 107 E HN 0.301 nan 8.360 nan 0.000 0.448 108 I N 0.387 121.091 120.570 0.224 0.000 2.072 108 I HA -0.264 3.906 4.170 -0.000 0.000 0.235 108 I C 2.232 178.425 176.117 0.126 0.000 1.058 108 I CA 1.443 62.815 61.300 0.119 0.000 1.320 108 I CB -0.493 37.345 38.000 -0.269 0.000 1.047 108 I HN 0.281 nan 8.210 nan 0.000 0.397 109 H N -0.471 118.783 119.070 0.307 0.000 2.539 109 H HA 0.087 4.643 4.556 -0.000 0.000 0.269 109 H C 0.042 175.630 175.328 0.434 0.000 0.980 109 H CA 0.202 56.419 56.048 0.281 0.000 1.152 109 H CB 0.079 29.926 29.762 0.141 0.000 1.407 109 H HN 0.422 nan 8.280 nan 0.000 0.564 110 H N -1.268 117.992 119.070 0.317 0.000 2.899 110 H HA -0.192 4.364 4.556 -0.000 0.000 0.282 110 H C -0.709 174.791 175.328 0.287 0.000 1.198 110 H CA 0.554 56.751 56.048 0.247 0.000 1.140 110 H CB -2.406 27.476 29.762 0.199 0.000 1.317 110 H HN 0.332 nan 8.280 nan 0.000 0.375 111 F N 0.892 120.996 119.950 0.257 0.000 2.458 111 F HA 0.485 5.012 4.527 -0.000 0.000 0.336 111 F C 0.180 176.068 175.800 0.147 0.000 1.114 111 F CA -0.748 57.365 58.000 0.188 0.000 0.987 111 F CB 0.890 40.006 39.000 0.194 0.000 1.130 111 F HN -0.099 nan 8.300 nan 0.000 0.458 112 K N 5.673 125.912 120.400 -0.268 0.000 2.267 112 K HA 0.395 4.715 4.320 -0.000 0.000 0.236 112 K C -2.085 174.399 176.600 -0.193 0.000 1.030 112 K CA -1.669 54.536 56.287 -0.135 0.000 0.930 112 K CB 0.921 33.354 32.500 -0.113 0.000 1.182 112 K HN 0.295 nan 8.250 nan 0.000 0.474 113 P HA -0.106 nan 4.420 nan 0.000 0.225 113 P C 0.792 178.071 177.300 -0.035 0.000 1.156 113 P CA 1.002 64.124 63.100 0.038 0.000 0.787 113 P CB 0.219 31.971 31.700 0.087 0.000 0.802 114 S N -2.848 112.791 115.700 -0.102 0.000 2.528 114 S HA 0.044 4.514 4.470 -0.000 0.000 0.219 114 S C 0.854 175.348 174.600 -0.178 0.000 0.985 114 S CA -0.087 58.056 58.200 -0.095 0.000 0.914 114 S CB -0.664 62.497 63.200 -0.065 0.000 0.776 114 S HN -0.026 nan 8.310 nan 0.000 0.526 115 D N 2.045 122.203 120.400 -0.404 0.000 2.371 115 D HA 0.366 5.006 4.640 -0.000 0.000 0.242 115 D C -0.186 175.919 176.300 -0.324 0.000 1.218 115 D CA 0.347 54.007 54.000 -0.566 0.000 0.945 115 D CB 0.540 40.587 40.800 -1.256 0.000 1.137 115 D HN 0.252 nan 8.370 nan 0.000 0.464 116 K N 0.535 120.939 120.400 0.005 0.000 2.588 116 K HA 0.090 4.410 4.320 -0.000 0.000 0.250 116 K C -1.187 175.645 176.600 0.387 0.000 0.972 116 K CA -0.619 55.842 56.287 0.290 0.000 0.821 116 K CB 1.049 33.625 32.500 0.126 0.000 1.249 116 K HN 0.450 nan 8.250 nan 0.000 0.442 117 H N 4.918 124.179 119.070 0.318 0.000 3.125 117 H HA 0.057 4.613 4.556 -0.000 0.000 0.310 117 H C -1.832 173.551 175.328 0.092 0.000 0.980 117 H CA -0.001 56.121 56.048 0.123 0.000 1.422 117 H CB 0.693 30.407 29.762 -0.081 0.000 1.432 117 H HN 0.363 nan 8.280 nan 0.000 0.577 118 P HA 0.094 nan 4.420 nan 0.000 0.280 118 P C -0.724 176.504 177.300 -0.120 0.000 1.278 118 P CA -0.464 62.540 63.100 -0.161 0.000 0.787 118 P CB 0.441 32.035 31.700 -0.176 0.000 1.163 119 A N 0.303 123.107 122.820 -0.027 0.000 2.332 119 A HA 0.478 4.798 4.320 -0.000 0.000 0.258 119 A C -1.992 175.621 177.584 0.048 0.000 1.087 119 A CA -1.133 50.925 52.037 0.035 0.000 0.802 119 A CB -1.617 17.403 19.000 0.034 0.000 1.042 119 A HN 0.408 nan 8.150 nan 0.000 0.489 120 P HA 0.223 nan 4.420 nan 0.000 0.270 120 P C -0.873 176.493 177.300 0.110 0.000 1.227 120 P CA 0.308 63.495 63.100 0.146 0.000 0.788 120 P CB 0.383 32.180 31.700 0.160 0.000 0.926 121 D N 1.018 121.505 120.400 0.145 0.000 2.351 121 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 121 D C -0.235 176.198 176.300 0.221 0.000 1.331 121 D CA -0.191 53.893 54.000 0.140 0.000 0.959 121 D CB 0.068 40.938 40.800 0.117 0.000 1.432 121 D HN 0.128 nan 8.370 nan 0.000 0.544 122 L N 1.093 122.414 121.223 0.164 0.000 2.640 122 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 122 L C 0.803 177.653 176.870 -0.033 0.000 1.123 122 L CA -0.196 54.726 54.840 0.138 0.000 0.900 122 L CB 0.241 42.333 42.059 0.055 0.000 1.146 122 L HN 0.272 nan 8.230 nan 0.000 0.484 123 D N 1.135 121.555 120.400 0.033 0.000 2.402 123 D HA -0.098 4.542 4.640 -0.000 0.000 0.268 123 D C 1.194 177.481 176.300 -0.020 0.000 1.294 123 D CA 0.197 54.174 54.000 -0.039 0.000 0.945 123 D CB 0.653 41.440 40.800 -0.022 0.000 1.112 123 D HN 0.428 nan 8.370 nan 0.000 0.517 124 H N 1.538 120.489 119.070 -0.197 0.000 2.556 124 H HA 0.160 4.716 4.556 -0.000 0.000 0.268 124 H C 0.883 176.250 175.328 0.064 0.000 0.996 124 H CA 0.121 56.113 56.048 -0.093 0.000 1.157 124 H CB 0.164 29.727 29.762 -0.332 0.000 1.355 124 H HN 0.220 nan 8.280 nan 0.000 0.597 125 N N 1.017 119.552 118.700 -0.276 0.000 2.395 125 N HA -0.063 4.677 4.740 -0.000 0.000 0.175 125 N C 1.174 176.662 175.510 -0.037 0.000 1.029 125 N CA 0.374 53.320 53.050 -0.174 0.000 0.897 125 N CB 0.179 38.522 38.487 -0.239 0.000 0.991 125 N HN 0.337 nan 8.380 nan 0.000 0.441 126 K N 1.058 121.459 120.400 0.002 0.000 2.283 126 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 126 K C 0.757 177.394 176.600 0.061 0.000 1.048 126 K CA -0.067 56.240 56.287 0.033 0.000 0.948 126 K CB -0.512 32.018 32.500 0.050 0.000 0.742 126 K HN 0.124 nan 8.250 nan 0.000 0.458 127 L N 2.017 123.304 121.223 0.107 0.000 2.513 127 L HA -0.035 4.305 4.340 -0.000 0.000 0.272 127 L C -0.539 176.363 176.870 0.054 0.000 1.187 127 L CA 0.176 55.080 54.840 0.107 0.000 0.895 127 L CB 0.595 42.766 42.059 0.187 0.000 1.147 127 L HN -0.219 nan 8.230 nan 0.000 0.483 128 V N 7.005 126.939 119.914 0.034 0.000 2.348 128 V HA 0.774 4.894 4.120 -0.000 0.000 0.270 128 V C 0.865 176.955 176.094 -0.006 0.000 1.037 128 V CA 0.313 62.621 62.300 0.013 0.000 0.872 128 V CB -0.295 31.537 31.823 0.015 0.000 1.002 128 V HN 1.178 nan 8.190 nan 0.000 0.464 129 G N 3.951 112.728 108.800 -0.038 0.000 2.508 129 G HA2 0.345 4.305 3.960 -0.000 0.000 0.220 129 G HA3 0.345 4.305 3.960 -0.000 0.000 0.220 129 G C 0.669 175.447 174.900 -0.203 0.000 1.287 129 G CA -0.128 44.907 45.100 -0.109 0.000 0.916 129 G HN 2.116 nan 8.290 nan 0.000 0.574 130 G N -2.811 105.704 108.800 -0.474 0.000 2.141 130 G HA2 0.137 4.097 3.960 -0.000 0.000 0.242 130 G HA3 0.137 4.097 3.960 -0.000 0.000 0.242 130 G C 0.248 174.695 174.900 -0.756 0.000 0.982 130 G CA 0.946 45.657 45.100 -0.648 0.000 0.662 130 G HN 1.957 nan 8.290 nan 0.000 0.527 131 V N 1.475 120.953 119.914 -0.727 0.000 2.284 131 V HA 0.632 4.752 4.120 -0.000 0.000 0.274 131 V C 0.026 175.871 176.094 -0.414 0.000 1.023 131 V CA -0.812 61.228 62.300 -0.433 0.000 0.808 131 V CB 0.351 32.068 31.823 -0.176 0.000 1.035 131 V HN 0.262 nan 8.190 nan 0.000 0.445 132 F N 1.076 121.055 119.950 0.049 0.000 2.408 132 F HA 0.469 4.996 4.527 -0.000 0.000 0.325 132 F C 0.928 176.776 175.800 0.080 0.000 1.082 132 F CA -0.843 57.191 58.000 0.057 0.000 1.032 132 F CB 0.853 39.889 39.000 0.060 0.000 1.259 132 F HN 0.350 nan 8.300 nan 0.000 0.503 133 E N 0.638 121.033 120.200 0.325 0.000 2.413 133 E HA -0.071 4.279 4.350 -0.000 0.000 0.263 133 E C -0.049 176.696 176.600 0.243 0.000 1.015 133 E CA -0.118 56.437 56.400 0.257 0.000 0.916 133 E CB 0.591 30.480 29.700 0.315 0.000 0.947 133 E HN 0.573 nan 8.360 nan 0.000 0.440 134 D N 2.890 123.385 120.400 0.158 0.000 2.264 134 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 134 D C 1.510 177.855 176.300 0.075 0.000 0.966 134 D CA 0.886 54.953 54.000 0.113 0.000 0.864 134 D CB 0.115 40.961 40.800 0.076 0.000 0.933 134 D HN 0.401 nan 8.370 nan 0.000 0.499 135 K N -0.682 119.749 120.400 0.051 0.000 2.103 135 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 135 K C 1.150 177.620 176.600 -0.216 0.000 1.048 135 K CA 1.259 57.475 56.287 -0.118 0.000 0.930 135 K CB 0.020 32.386 32.500 -0.225 0.000 0.716 135 K HN 0.243 nan 8.250 nan 0.000 0.444 136 Y N -0.478 119.857 120.300 0.059 0.000 2.422 136 Y HA 0.151 4.701 4.550 -0.000 0.000 0.291 136 Y C 0.477 176.399 175.900 0.037 0.000 1.144 136 Y CA -0.339 57.786 58.100 0.041 0.000 1.208 136 Y CB 0.692 39.164 38.460 0.020 0.000 1.195 136 Y HN -0.281 nan 8.280 nan 0.000 0.535 137 V N 2.583 122.624 119.914 0.212 0.000 2.364 137 V HA 0.166 4.286 4.120 -0.000 0.000 0.272 137 V C 0.388 176.561 176.094 0.131 0.000 1.036 137 V CA -0.642 61.745 62.300 0.144 0.000 0.880 137 V CB 1.396 33.308 31.823 0.148 0.000 0.991 137 V HN 0.200 nan 8.190 nan 0.000 0.460 138 K N 2.491 122.961 120.400 0.117 0.000 2.168 138 K HA 0.198 4.518 4.320 -0.000 0.000 0.201 138 K C 0.730 177.363 176.600 0.054 0.000 1.049 138 K CA 0.728 57.071 56.287 0.092 0.000 0.974 138 K CB 0.356 32.920 32.500 0.106 0.000 0.792 138 K HN 0.765 nan 8.250 nan 0.000 0.463 139 S N -0.621 115.085 115.700 0.010 0.000 2.556 139 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 139 S C -0.541 173.996 174.600 -0.104 0.000 1.135 139 S CA -1.112 57.040 58.200 -0.081 0.000 0.858 139 S CB 1.592 64.669 63.200 -0.206 0.000 1.114 139 S HN 0.123 nan 8.310 nan 0.000 0.468 140 C N 1.358 120.627 119.300 -0.053 0.000 2.435 140 C HA 0.924 5.384 4.460 -0.000 0.000 0.333 140 C C 0.090 175.046 174.990 -0.057 0.000 1.202 140 C CA -0.606 58.400 59.018 -0.020 0.000 1.830 140 C CB 1.169 28.949 27.740 0.066 0.000 2.326 140 C HN 1.041 nan 8.230 nan 0.000 0.507 141 R N 2.267 122.728 120.500 -0.066 0.000 2.535 141 R HA 0.725 5.065 4.340 -0.000 0.000 0.274 141 R C -1.922 174.323 176.300 -0.091 0.000 1.090 141 R CA -0.356 55.701 56.100 -0.071 0.000 0.930 141 R CB 0.908 31.135 30.300 -0.123 0.000 1.223 141 R HN 0.833 nan 8.270 nan 0.000 0.441 142 I N 4.243 124.752 120.570 -0.101 0.000 2.569 142 I HA 0.591 4.761 4.170 -0.000 0.000 0.296 142 I C -0.428 175.509 176.117 -0.300 0.000 1.028 142 I CA -1.070 60.058 61.300 -0.288 0.000 1.082 142 I CB 1.921 39.654 38.000 -0.446 0.000 1.264 142 I HN 0.601 nan 8.210 nan 0.000 0.429 143 R N 5.153 125.429 120.500 -0.374 0.000 2.663 143 R HA 0.684 5.024 4.340 -0.000 0.000 0.267 143 R C -1.862 174.431 176.300 -0.011 0.000 1.038 143 R CA -0.383 55.662 56.100 -0.092 0.000 0.886 143 R CB 1.902 32.128 30.300 -0.123 0.000 1.249 143 R HN 0.908 nan 8.270 nan 0.000 0.463 144 C N -0.063 119.369 119.300 0.220 0.000 3.154 144 C HA 0.980 5.440 4.460 -0.000 0.000 0.312 144 C C 0.007 175.030 174.990 0.055 0.000 1.349 144 C CA -0.190 58.915 59.018 0.145 0.000 1.518 144 C CB 1.494 29.403 27.740 0.282 0.000 1.934 144 C HN 0.945 nan 8.230 nan 0.000 0.462 145 G N 1.277 110.084 108.800 0.011 0.000 2.453 145 G HA2 0.807 4.767 3.960 -0.000 0.000 0.323 145 G HA3 0.807 4.767 3.960 -0.000 0.000 0.323 145 G C -1.265 173.603 174.900 -0.053 0.000 1.198 145 G CA -0.547 44.551 45.100 -0.004 0.000 0.959 145 G HN 0.880 nan 8.290 nan 0.000 0.482 146 R N -0.005 120.472 120.500 -0.039 0.000 2.771 146 R HA 0.657 4.997 4.340 -0.000 0.000 0.274 146 R C -1.012 175.310 176.300 0.037 0.000 0.987 146 R CA -0.758 55.312 56.100 -0.051 0.000 0.908 146 R CB 2.071 32.300 30.300 -0.118 0.000 1.213 146 R HN 0.525 nan 8.270 nan 0.000 0.468 147 S N 0.318 116.064 115.700 0.076 0.000 2.532 147 S HA 0.506 4.976 4.470 -0.000 0.000 0.301 147 S C -0.303 174.429 174.600 0.220 0.000 1.083 147 S CA -0.800 57.514 58.200 0.190 0.000 1.025 147 S CB 2.226 65.463 63.200 0.061 0.000 1.056 147 S HN 0.269 nan 8.310 nan 0.000 0.494 148 V N 2.965 123.070 119.914 0.319 0.000 2.383 148 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 148 V C 0.433 176.550 176.094 0.037 0.000 1.036 148 V CA -0.730 61.591 62.300 0.035 0.000 0.889 148 V CB 0.785 32.490 31.823 -0.197 0.000 0.985 148 V HN 0.814 nan 8.190 nan 0.000 0.459 149 K N 3.542 123.958 120.400 0.028 0.000 2.295 149 K HA 0.479 4.799 4.320 -0.000 0.000 0.270 149 K C 1.029 177.628 176.600 -0.002 0.000 1.011 149 K CA 0.698 56.991 56.287 0.010 0.000 0.953 149 K CB 0.682 33.182 32.500 0.000 0.000 0.956 149 K HN 1.047 nan 8.250 nan 0.000 0.477 150 G N 1.025 109.822 108.800 -0.004 0.000 2.157 150 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.239 150 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.239 150 G C -0.571 174.348 174.900 0.033 0.000 0.982 150 G CA -0.012 45.100 45.100 0.020 0.000 0.650 150 G HN 0.550 nan 8.290 nan 0.000 0.527 151 V N 0.110 120.046 119.914 0.036 0.000 2.888 151 V HA 0.531 4.651 4.120 -0.000 0.000 0.309 151 V C 1.143 177.314 176.094 0.127 0.000 1.114 151 V CA -0.586 61.742 62.300 0.046 0.000 0.940 151 V CB 1.801 33.594 31.823 -0.050 0.000 1.021 151 V HN 0.486 nan 8.190 nan 0.000 0.426 152 C N 4.000 123.383 119.300 0.138 0.000 2.837 152 C HA 0.185 4.644 4.460 -0.000 0.000 0.381 152 C C 0.600 175.726 174.990 0.226 0.000 1.298 152 C CA -0.067 59.050 59.018 0.165 0.000 2.083 152 C CB -0.460 27.364 27.740 0.140 0.000 2.664 152 C HN 0.652 nan 8.230 nan 0.000 0.736 153 L N 2.244 123.548 121.223 0.135 0.000 2.375 153 L HA 0.282 4.622 4.340 -0.000 0.000 0.268 153 L C -1.364 175.539 176.870 0.054 0.000 1.058 153 L CA -1.386 53.459 54.840 0.008 0.000 0.803 153 L CB 0.866 42.908 42.059 -0.028 0.000 1.212 153 L HN 0.425 nan 8.230 nan 0.000 0.451 154 P HA -0.151 nan 4.420 nan 0.000 0.217 154 P C -1.583 175.757 177.300 0.066 0.000 1.151 154 P CA 1.386 64.517 63.100 0.052 0.000 0.849 154 P CB -0.718 30.994 31.700 0.020 0.000 0.787 155 P HA -0.051 nan 4.420 nan 0.000 0.230 155 P C 0.722 178.071 177.300 0.083 0.000 1.158 155 P CA 1.648 64.791 63.100 0.073 0.000 0.769 155 P CB -0.177 31.568 31.700 0.076 0.000 0.807 156 A N -0.798 122.077 122.820 0.093 0.000 2.141 156 A HA 0.246 4.566 4.320 -0.000 0.000 0.196 156 A C 1.179 178.820 177.584 0.094 0.000 1.502 156 A CA -0.158 51.939 52.037 0.099 0.000 1.075 156 A CB -0.609 18.464 19.000 0.122 0.000 1.217 156 A HN 0.158 nan 8.150 nan 0.000 0.477 157 M N 1.537 121.198 119.600 0.101 0.000 2.249 157 M HA 0.418 4.898 4.480 -0.000 0.000 0.340 157 M C 0.159 176.502 176.300 0.072 0.000 1.166 157 M CA 0.283 55.642 55.300 0.097 0.000 1.115 157 M CB 0.226 32.903 32.600 0.127 0.000 1.606 157 M HN 0.310 nan 8.290 nan 0.000 0.448 158 S N 2.812 118.547 115.700 0.058 0.000 2.632 158 S HA 0.352 4.822 4.470 -0.000 0.000 0.271 158 S C 0.792 175.411 174.600 0.031 0.000 1.260 158 S CA -0.835 57.391 58.200 0.044 0.000 1.010 158 S CB 1.622 64.845 63.200 0.038 0.000 0.965 158 S HN 0.911 nan 8.310 nan 0.000 0.534 159 R N 0.785 121.301 120.500 0.026 0.000 2.154 159 R HA -0.196 4.144 4.340 -0.000 0.000 0.248 159 R C 2.382 178.685 176.300 0.004 0.000 1.155 159 R CA 1.570 57.678 56.100 0.014 0.000 0.979 159 R CB -0.952 29.358 30.300 0.016 0.000 0.869 159 R HN 0.851 nan 8.270 nan 0.000 0.452 160 A N 0.975 123.798 122.820 0.006 0.000 1.898 160 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 160 A C 1.841 179.416 177.584 -0.015 0.000 1.181 160 A CA 1.245 53.281 52.037 -0.003 0.000 0.620 160 A CB -0.224 18.778 19.000 0.002 0.000 0.819 160 A HN 0.331 nan 8.150 nan 0.000 0.442 161 E N -0.724 119.470 120.200 -0.009 0.000 2.072 161 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 161 E C 2.316 178.885 176.600 -0.052 0.000 0.985 161 E CA 0.919 57.303 56.400 -0.027 0.000 0.801 161 E CB -0.170 29.531 29.700 0.002 0.000 0.750 161 E HN 0.544 nan 8.360 nan 0.000 0.452 162 R N 1.060 121.544 120.500 -0.025 0.000 2.073 162 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 162 R C 2.362 178.630 176.300 -0.054 0.000 1.134 162 R CA 1.373 57.454 56.100 -0.032 0.000 0.952 162 R CB 0.016 30.308 30.300 -0.013 0.000 0.850 162 R HN -0.008 nan 8.270 nan 0.000 0.433 163 R N 0.247 120.722 120.500 -0.042 0.000 2.096 163 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 163 R C 2.261 178.519 176.300 -0.070 0.000 1.139 163 R CA 1.609 57.684 56.100 -0.043 0.000 0.952 163 R CB -0.649 29.634 30.300 -0.028 0.000 0.854 163 R HN 0.155 nan 8.270 nan 0.000 0.436 164 L N 0.523 121.698 121.223 -0.080 0.000 1.997 164 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 164 L C 2.036 178.805 176.870 -0.168 0.000 1.074 164 L CA 1.784 56.557 54.840 -0.112 0.000 0.763 164 L CB -0.662 41.334 42.059 -0.104 0.000 0.890 164 L HN -0.001 nan 8.230 nan 0.000 0.434 165 V N -0.355 119.444 119.914 -0.191 0.000 2.261 165 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 165 V C 2.575 178.546 176.094 -0.205 0.000 1.047 165 V CA 2.000 64.149 62.300 -0.252 0.000 1.015 165 V CB -0.754 30.884 31.823 -0.307 0.000 0.642 165 V HN 0.583 nan 8.190 nan 0.000 0.446 166 E N -0.144 119.968 120.200 -0.147 0.000 2.108 166 E HA -0.310 4.040 4.350 -0.000 0.000 0.203 166 E C 2.375 178.834 176.600 -0.235 0.000 1.022 166 E CA 1.768 58.078 56.400 -0.151 0.000 0.823 166 E CB -0.052 29.614 29.700 -0.057 0.000 0.744 166 E HN 0.415 nan 8.360 nan 0.000 0.456 167 K N 0.192 120.485 120.400 -0.179 0.000 1.991 167 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 167 K C 2.238 178.729 176.600 -0.182 0.000 1.038 167 K CA 0.920 57.109 56.287 -0.163 0.000 0.943 167 K CB -0.611 31.825 32.500 -0.107 0.000 0.736 167 K HN 0.053 nan 8.250 nan 0.000 0.440 168 V N 1.442 121.233 119.914 -0.205 0.000 2.252 168 V HA -0.315 3.805 4.120 -0.000 0.000 0.255 168 V C 2.543 178.504 176.094 -0.222 0.000 1.071 168 V CA 2.039 64.177 62.300 -0.270 0.000 1.050 168 V CB -0.386 31.097 31.823 -0.567 0.000 0.654 168 V HN 0.134 nan 8.190 nan 0.000 0.448 169 V N 0.305 120.069 119.914 -0.251 0.000 2.307 169 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 169 V C 2.646 178.584 176.094 -0.260 0.000 1.045 169 V CA 2.339 64.506 62.300 -0.222 0.000 1.024 169 V CB -0.479 31.221 31.823 -0.205 0.000 0.651 169 V HN 0.812 nan 8.190 nan 0.000 0.449 170 S N -0.834 114.661 115.700 -0.341 0.000 2.406 170 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 170 S C 1.641 176.113 174.600 -0.213 0.000 1.020 170 S CA 1.277 59.243 58.200 -0.391 0.000 0.965 170 S CB -0.399 62.372 63.200 -0.715 0.000 0.798 170 S HN 0.548 nan 8.310 nan 0.000 0.488 171 D N 2.726 123.031 120.400 -0.158 0.000 2.088 171 D HA 0.014 4.654 4.640 -0.000 0.000 0.191 171 D C 2.385 178.639 176.300 -0.077 0.000 0.992 171 D CA 1.763 55.714 54.000 -0.083 0.000 0.831 171 D CB -0.934 39.840 40.800 -0.043 0.000 0.973 171 D HN 0.512 nan 8.370 nan 0.000 0.447 172 A N 0.517 123.296 122.820 -0.070 0.000 1.997 172 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 172 A C 2.338 179.839 177.584 -0.138 0.000 1.172 172 A CA 1.141 53.139 52.037 -0.066 0.000 0.645 172 A CB -0.779 18.211 19.000 -0.018 0.000 0.813 172 A HN 0.288 nan 8.150 nan 0.000 0.454 173 L N -1.133 119.956 121.223 -0.224 0.000 2.418 173 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 173 L C 2.552 179.292 176.870 -0.216 0.000 1.125 173 L CA 0.518 55.129 54.840 -0.381 0.000 0.835 173 L CB -0.484 41.145 42.059 -0.716 0.000 0.953 173 L HN 0.488 nan 8.230 nan 0.000 0.454 174 G N -0.106 108.645 108.800 -0.080 0.000 2.509 174 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 174 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 174 G C 1.482 176.393 174.900 0.019 0.000 1.124 174 G CA 0.610 45.724 45.100 0.024 0.000 0.776 174 G HN 0.480 nan 8.290 nan 0.000 0.547 175 G N 0.093 108.876 108.800 -0.028 0.000 2.744 175 G HA2 0.194 4.154 3.960 -0.000 0.000 0.211 175 G HA3 0.194 4.154 3.960 -0.000 0.000 0.211 175 G C 0.714 175.611 174.900 -0.004 0.000 1.143 175 G CA -0.390 44.697 45.100 -0.021 0.000 0.788 175 G HN 0.386 nan 8.290 nan 0.000 0.534 176 L N 0.509 121.741 121.223 0.014 0.000 2.439 176 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 176 L C 0.445 177.372 176.870 0.094 0.000 1.179 176 L CA -0.024 54.851 54.840 0.057 0.000 0.828 176 L CB 0.868 42.996 42.059 0.115 0.000 1.106 176 L HN -0.015 nan 8.230 nan 0.000 0.467 177 K N 0.873 121.314 120.400 0.068 0.000 2.197 177 K HA 0.609 4.929 4.320 -0.000 0.000 0.247 177 K C 0.325 176.956 176.600 0.051 0.000 1.077 177 K CA 0.002 56.323 56.287 0.057 0.000 0.882 177 K CB 0.993 33.507 32.500 0.024 0.000 1.396 177 K HN 0.689 nan 8.250 nan 0.000 0.482 178 G N 1.876 110.696 108.800 0.034 0.000 2.634 178 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.309 178 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.309 178 G C 0.437 175.359 174.900 0.038 0.000 1.265 178 G CA 1.062 46.176 45.100 0.023 0.000 0.998 178 G HN 0.811 nan 8.290 nan 0.000 0.551 179 D N 0.731 121.145 120.400 0.024 0.000 2.349 179 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 179 D C 2.234 178.579 176.300 0.076 0.000 1.029 179 D CA 0.580 54.602 54.000 0.037 0.000 0.879 179 D CB -0.054 40.754 40.800 0.013 0.000 0.906 179 D HN 0.455 nan 8.370 nan 0.000 0.528 180 L N 0.330 121.603 121.223 0.083 0.000 2.592 180 L HA 0.299 4.639 4.340 -0.000 0.000 0.227 180 L C 1.143 178.273 176.870 0.433 0.000 1.127 180 L CA -0.211 54.739 54.840 0.182 0.000 0.884 180 L CB -0.018 42.030 42.059 -0.017 0.000 1.065 180 L HN -0.005 nan 8.230 nan 0.000 0.457 181 A N 0.023 123.018 122.820 0.292 0.000 2.354 181 A HA 0.617 4.937 4.320 -0.000 0.000 0.269 181 A C 0.431 178.158 177.584 0.239 0.000 1.109 181 A CA 0.432 52.675 52.037 0.343 0.000 0.800 181 A CB 0.674 19.783 19.000 0.182 0.000 1.045 181 A HN 0.294 nan 8.150 nan 0.000 0.489 182 G N 0.420 109.360 108.800 0.234 0.000 2.753 182 G HA2 0.558 4.518 3.960 -0.000 0.000 0.303 182 G HA3 0.558 4.518 3.960 -0.000 0.000 0.303 182 G C -1.157 173.508 174.900 -0.392 0.000 1.242 182 G CA -0.449 44.395 45.100 -0.426 0.000 0.810 182 G HN 0.767 nan 8.290 nan 0.000 0.515 183 K N -1.038 118.861 120.400 -0.835 0.000 2.443 183 K HA 0.552 4.872 4.320 -0.000 0.000 0.251 183 K C -1.946 174.234 176.600 -0.701 0.000 0.972 183 K CA -0.817 55.115 56.287 -0.592 0.000 0.833 183 K CB 2.623 34.746 32.500 -0.628 0.000 1.317 183 K HN 0.464 nan 8.250 nan 0.000 0.441 184 Y N 2.161 122.202 120.300 -0.431 0.000 2.331 184 Y HA 0.344 4.894 4.550 -0.000 0.000 0.338 184 Y C -1.616 174.028 175.900 -0.426 0.000 0.976 184 Y CA -0.518 57.477 58.100 -0.174 0.000 1.137 184 Y CB 0.649 39.179 38.460 0.117 0.000 1.172 184 Y HN 0.394 nan 8.280 nan 0.000 0.478 185 Y N 7.881 127.800 120.300 -0.636 0.000 2.464 185 Y HA 0.396 4.946 4.550 -0.000 0.000 0.326 185 Y C -2.269 173.190 175.900 -0.734 0.000 0.969 185 Y CA -3.193 54.590 58.100 -0.528 0.000 1.270 185 Y CB 0.463 38.758 38.460 -0.275 0.000 1.103 185 Y HN 0.515 nan 8.280 nan 0.000 0.491 186 P HA -0.042 nan 4.420 nan 0.000 0.269 186 P C 0.625 177.845 177.300 -0.132 0.000 1.215 186 P CA -0.224 62.677 63.100 -0.332 0.000 0.780 186 P CB 1.721 33.370 31.700 -0.085 0.000 0.898 187 L N 3.076 124.255 121.223 -0.073 0.000 2.179 187 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 187 L C 2.277 179.135 176.870 -0.020 0.000 1.096 187 L CA 2.232 57.049 54.840 -0.038 0.000 0.779 187 L CB -1.609 40.430 42.059 -0.033 0.000 0.922 187 L HN 0.443 nan 8.230 nan 0.000 0.443 188 T N -4.734 109.805 114.554 -0.026 0.000 3.155 188 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 188 T C 1.209 175.910 174.700 0.002 0.000 1.160 188 T CA 1.140 63.236 62.100 -0.007 0.000 1.075 188 T CB -0.863 68.001 68.868 -0.007 0.000 0.921 188 T HN 0.505 nan 8.240 nan 0.000 0.533 189 T N -2.326 112.225 114.554 -0.005 0.000 3.144 189 T HA 0.431 4.781 4.350 -0.000 0.000 0.290 189 T C 0.044 174.747 174.700 0.005 0.000 0.966 189 T CA -0.715 61.385 62.100 0.001 0.000 0.907 189 T CB -0.178 68.689 68.868 -0.002 0.000 1.152 189 T HN 0.396 nan 8.240 nan 0.000 0.532 190 M N 3.906 123.506 119.600 -0.001 0.000 2.129 190 M HA 0.380 4.860 4.480 -0.000 0.000 0.348 190 M C 0.016 176.313 176.300 -0.004 0.000 1.116 190 M CA -0.741 54.555 55.300 -0.006 0.000 1.022 190 M CB 1.110 33.694 32.600 -0.027 0.000 1.599 190 M HN 0.325 nan 8.290 nan 0.000 0.449 191 N N 3.542 122.237 118.700 -0.008 0.000 2.453 191 N HA -0.094 4.646 4.740 -0.000 0.000 0.253 191 N C 0.243 175.749 175.510 -0.008 0.000 1.252 191 N CA 0.272 53.319 53.050 -0.004 0.000 0.917 191 N CB 0.866 39.349 38.487 -0.007 0.000 1.117 191 N HN 0.962 nan 8.380 nan 0.000 0.442 192 E N 1.670 121.870 120.200 -0.000 0.000 2.209 192 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 192 E C 1.062 177.654 176.600 -0.014 0.000 0.993 192 E CA 1.392 57.792 56.400 0.000 0.000 0.819 192 E CB 0.163 29.867 29.700 0.006 0.000 0.745 192 E HN 0.669 nan 8.360 nan 0.000 0.477 193 K N -0.076 120.313 120.400 -0.019 0.000 2.365 193 K HA -0.034 4.286 4.320 -0.000 0.000 0.197 193 K C 1.257 177.835 176.600 -0.037 0.000 1.042 193 K CA 0.946 57.218 56.287 -0.025 0.000 0.987 193 K CB 0.268 32.755 32.500 -0.021 0.000 0.779 193 K HN 0.114 nan 8.250 nan 0.000 0.484 194 D N 0.965 121.338 120.400 -0.044 0.000 2.120 194 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 194 D C 1.854 178.111 176.300 -0.072 0.000 0.972 194 D CA 0.914 54.875 54.000 -0.066 0.000 0.837 194 D CB -0.078 40.674 40.800 -0.080 0.000 0.989 194 D HN 0.114 nan 8.370 nan 0.000 0.469 195 Q N 0.590 120.353 119.800 -0.062 0.000 2.045 195 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 195 Q C 1.829 177.791 176.000 -0.064 0.000 0.991 195 Q CA 1.644 57.407 55.803 -0.067 0.000 0.851 195 Q CB 0.028 28.748 28.738 -0.030 0.000 0.911 195 Q HN 0.342 nan 8.270 nan 0.000 0.418 196 E N -0.351 119.821 120.200 -0.047 0.000 2.209 196 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 196 E C 1.984 178.551 176.600 -0.056 0.000 0.993 196 E CA 1.027 57.398 56.400 -0.048 0.000 0.819 196 E CB -0.012 29.666 29.700 -0.038 0.000 0.745 196 E HN 0.260 nan 8.360 nan 0.000 0.477 197 Q N 0.861 120.630 119.800 -0.053 0.000 2.083 197 Q HA -0.036 4.303 4.340 -0.000 0.000 0.198 197 Q C 1.927 177.909 176.000 -0.031 0.000 0.969 197 Q CA 1.089 56.865 55.803 -0.046 0.000 0.838 197 Q CB -0.053 28.658 28.738 -0.045 0.000 0.900 197 Q HN 0.289 nan 8.270 nan 0.000 0.436 198 L N -0.432 120.769 121.223 -0.036 0.000 2.217 198 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 198 L C 2.018 178.891 176.870 0.004 0.000 1.107 198 L CA 0.508 55.360 54.840 0.020 0.000 0.783 198 L CB -0.179 41.852 42.059 -0.048 0.000 0.919 198 L HN 0.262 nan 8.230 nan 0.000 0.442 199 I N -0.926 119.604 120.570 -0.067 0.000 2.193 199 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 199 I C 2.576 178.599 176.117 -0.157 0.000 1.084 199 I CA 0.911 62.160 61.300 -0.085 0.000 1.365 199 I CB -0.290 37.661 38.000 -0.081 0.000 1.064 199 I HN 0.180 nan 8.210 nan 0.000 0.410 200 E N 0.909 121.010 120.200 -0.166 0.000 2.097 200 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 200 E C 1.363 177.690 176.600 -0.454 0.000 1.000 200 E CA 1.545 57.794 56.400 -0.252 0.000 0.804 200 E CB -0.177 29.434 29.700 -0.149 0.000 0.740 200 E HN 0.430 nan 8.360 nan 0.000 0.454 201 D N -1.050 119.171 120.400 -0.297 0.000 2.363 201 D HA -0.064 4.576 4.640 -0.000 0.000 0.226 201 D C 0.032 175.992 176.300 -0.566 0.000 1.020 201 D CA 0.431 54.248 54.000 -0.305 0.000 0.892 201 D CB 0.055 40.889 40.800 0.058 0.000 0.900 201 D HN 0.267 nan 8.370 nan 0.000 0.531 202 H N -2.811 116.088 119.070 -0.285 0.000 3.151 202 H HA -0.172 4.384 4.556 -0.000 0.000 0.230 202 H C 0.596 175.738 175.328 -0.310 0.000 1.186 202 H CA 0.575 56.450 56.048 -0.288 0.000 1.124 202 H CB -1.897 27.664 29.762 -0.335 0.000 1.208 202 H HN 0.253 nan 8.280 nan 0.000 0.318 203 F N 0.108 120.139 119.950 0.136 0.000 2.437 203 F HA 0.210 4.737 4.527 -0.000 0.000 0.288 203 F C 1.341 177.327 175.800 0.310 0.000 1.085 203 F CA 0.165 58.255 58.000 0.150 0.000 1.430 203 F CB 0.440 39.436 39.000 -0.005 0.000 1.120 203 F HN 0.028 nan 8.300 nan 0.000 0.556 204 L N 0.658 122.035 121.223 0.256 0.000 2.325 204 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 204 L C -0.243 176.448 176.870 -0.299 0.000 1.023 204 L CA -1.453 53.303 54.840 -0.140 0.000 0.811 204 L CB 0.452 42.297 42.059 -0.356 0.000 1.249 204 L HN 0.034 nan 8.230 nan 0.000 0.431 205 F N 0.834 120.402 119.950 -0.638 0.000 2.586 205 F HA 0.354 4.881 4.527 -0.000 0.000 0.344 205 F C 0.735 176.385 175.800 -0.249 0.000 1.188 205 F CA -0.631 56.964 58.000 -0.675 0.000 1.359 205 F CB -0.471 37.841 39.000 -1.147 0.000 1.129 205 F HN 0.721 nan 8.300 nan 0.000 0.609 206 E N 1.016 121.267 120.200 0.084 0.000 2.620 206 E HA 0.290 4.640 4.350 -0.000 0.000 0.255 206 E C -0.872 175.760 176.600 0.052 0.000 1.346 206 E CA -1.028 55.390 56.400 0.031 0.000 1.013 206 E CB 0.407 30.099 29.700 -0.014 0.000 1.131 206 E HN 0.611 nan 8.360 nan 0.000 0.608 207 K N 0.689 121.063 120.400 -0.043 0.000 2.258 207 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 207 K C -1.851 174.560 176.600 -0.314 0.000 1.007 207 K CA -1.554 54.644 56.287 -0.148 0.000 0.941 207 K CB 0.316 32.733 32.500 -0.138 0.000 0.966 207 K HN 0.446 nan 8.250 nan 0.000 0.480 208 P HA -0.064 nan 4.420 nan 0.000 0.271 208 P C -0.029 177.017 177.300 -0.424 0.000 1.601 208 P CA 0.655 63.258 63.100 -0.828 0.000 0.856 208 P CB -0.652 30.127 31.700 -1.535 0.000 1.820 209 T N -5.168 109.228 114.554 -0.263 0.000 3.040 209 T HA 0.235 4.585 4.350 -0.000 0.000 0.266 209 T C 1.038 175.681 174.700 -0.096 0.000 1.005 209 T CA -0.196 61.810 62.100 -0.156 0.000 0.906 209 T CB -0.160 68.638 68.868 -0.117 0.000 1.082 209 T HN 0.142 nan 8.240 nan 0.000 0.531 210 G N 0.894 109.631 108.800 -0.104 0.000 2.321 210 G HA2 0.394 4.354 3.960 -0.000 0.000 0.237 210 G HA3 0.394 4.354 3.960 -0.000 0.000 0.237 210 G C 1.172 176.059 174.900 -0.023 0.000 1.282 210 G CA -0.097 44.969 45.100 -0.056 0.000 0.886 210 G HN 0.464 nan 8.290 nan 0.000 0.528 211 A N 2.981 125.814 122.820 0.021 0.000 1.849 211 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 211 A C 2.406 180.001 177.584 0.018 0.000 1.202 211 A CA 1.997 54.054 52.037 0.032 0.000 0.629 211 A CB -0.726 18.317 19.000 0.072 0.000 0.834 211 A HN 1.083 nan 8.150 nan 0.000 0.447 212 L N -0.686 120.553 121.223 0.026 0.000 1.971 212 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 212 L C 2.325 179.201 176.870 0.011 0.000 1.072 212 L CA 2.524 57.379 54.840 0.024 0.000 0.758 212 L CB -0.733 41.344 42.059 0.030 0.000 0.889 212 L HN 0.374 nan 8.230 nan 0.000 0.433 213 L N -0.410 120.812 121.223 -0.001 0.000 2.034 213 L HA -0.296 4.043 4.340 -0.000 0.000 0.217 213 L C 2.579 179.445 176.870 -0.007 0.000 1.077 213 L CA 2.863 57.698 54.840 -0.009 0.000 0.769 213 L CB -1.034 40.997 42.059 -0.047 0.000 0.890 213 L HN 0.758 nan 8.230 nan 0.000 0.435 214 T N -5.930 108.609 114.554 -0.025 0.000 3.054 214 T HA -0.056 4.294 4.350 -0.000 0.000 0.259 214 T C 1.676 176.375 174.700 -0.002 0.000 1.092 214 T CA 0.845 62.932 62.100 -0.022 0.000 1.121 214 T CB -0.822 68.016 68.868 -0.050 0.000 0.912 214 T HN 0.540 nan 8.240 nan 0.000 0.489 215 T N 0.482 115.037 114.554 0.002 0.000 3.043 215 T HA 0.041 4.391 4.350 -0.000 0.000 0.263 215 T C 2.030 176.739 174.700 0.014 0.000 1.094 215 T CA 0.896 63.000 62.100 0.007 0.000 1.127 215 T CB -0.518 68.353 68.868 0.006 0.000 0.905 215 T HN 0.521 nan 8.240 nan 0.000 0.490 216 S N 0.015 115.728 115.700 0.021 0.000 2.556 216 S HA 0.495 4.965 4.470 -0.000 0.000 0.216 216 S C 1.785 176.409 174.600 0.041 0.000 0.970 216 S CA 0.233 58.451 58.200 0.030 0.000 0.912 216 S CB -0.364 62.856 63.200 0.033 0.000 0.790 216 S HN 1.187 nan 8.310 nan 0.000 0.504 217 G N 0.195 109.019 108.800 0.040 0.000 2.143 217 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.249 217 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.249 217 G C 0.630 175.573 174.900 0.071 0.000 0.981 217 G CA 0.017 45.148 45.100 0.053 0.000 0.665 217 G HN 0.610 nan 8.290 nan 0.000 0.528 218 C N 0.605 119.948 119.300 0.072 0.000 2.539 218 C HA 0.541 5.001 4.460 -0.000 0.000 0.271 218 C C 2.396 177.490 174.990 0.174 0.000 1.412 218 C CA 1.106 60.182 59.018 0.097 0.000 1.729 218 C CB -1.007 26.777 27.740 0.075 0.000 1.739 218 C HN 1.009 nan 8.230 nan 0.000 0.570 219 A N -0.225 122.695 122.820 0.166 0.000 2.538 219 A HA 0.284 4.604 4.320 -0.000 0.000 0.269 219 A C 0.532 178.272 177.584 0.260 0.000 1.231 219 A CA -0.361 51.845 52.037 0.282 0.000 0.948 219 A CB -0.061 18.959 19.000 0.032 0.000 1.110 219 A HN 0.580 nan 8.150 nan 0.000 0.529 220 R N 1.661 122.264 120.500 0.172 0.000 2.537 220 R HA 0.262 4.602 4.340 -0.000 0.000 0.280 220 R C -0.535 175.855 176.300 0.151 0.000 1.058 220 R CA 0.420 56.602 56.100 0.136 0.000 1.057 220 R CB 0.088 30.443 30.300 0.091 0.000 0.973 220 R HN 0.359 nan 8.270 nan 0.000 0.438 221 D N 0.063 120.548 120.400 0.141 0.000 3.051 221 D HA -0.207 4.433 4.640 -0.000 0.000 0.218 221 D C -0.693 175.684 176.300 0.127 0.000 1.129 221 D CA 0.670 54.734 54.000 0.107 0.000 0.868 221 D CB -1.017 39.818 40.800 0.058 0.000 1.100 221 D HN 0.562 nan 8.370 nan 0.000 0.429 222 W N 2.416 123.724 121.300 0.012 0.000 2.216 222 W HA 0.237 4.897 4.660 -0.000 0.000 0.326 222 W C -1.524 175.007 176.519 0.021 0.000 1.319 222 W CA -0.681 56.672 57.345 0.014 0.000 1.213 222 W CB 0.486 29.950 29.460 0.006 0.000 1.171 222 W HN -0.038 nan 8.180 nan 0.000 0.557 223 P HA 0.046 nan 4.420 nan 0.000 0.250 223 P C -0.461 176.622 177.300 -0.362 0.000 1.808 223 P CA -0.035 62.691 63.100 -0.624 0.000 1.117 223 P CB -0.037 31.457 31.700 -0.343 0.000 1.602 224 D N 1.033 121.319 120.400 -0.189 0.000 2.339 224 D HA 0.254 4.894 4.640 -0.000 0.000 0.256 224 D C 1.168 177.392 176.300 -0.126 0.000 1.214 224 D CA 1.060 54.996 54.000 -0.107 0.000 0.877 224 D CB 0.377 41.154 40.800 -0.039 0.000 1.111 224 D HN 0.356 nan 8.370 nan 0.000 0.478 225 G N 3.790 112.536 108.800 -0.090 0.000 2.179 225 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 225 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 225 G C 0.349 175.213 174.900 -0.059 0.000 0.990 225 G CA -0.317 44.746 45.100 -0.062 0.000 0.646 225 G HN 0.553 nan 8.290 nan 0.000 0.517 226 R N 0.258 120.682 120.500 -0.127 0.000 2.540 226 R HA 0.764 5.104 4.340 -0.000 0.000 0.287 226 R C 0.582 176.936 176.300 0.089 0.000 0.980 226 R CA 0.638 56.673 56.100 -0.108 0.000 0.966 226 R CB 1.791 31.830 30.300 -0.435 0.000 1.106 226 R HN 0.809 nan 8.270 nan 0.000 0.480 227 G N 0.576 109.532 108.800 0.261 0.000 2.623 227 G HA2 0.503 4.463 3.960 -0.000 0.000 0.290 227 G HA3 0.503 4.463 3.960 -0.000 0.000 0.290 227 G C -1.738 173.390 174.900 0.380 0.000 1.437 227 G CA -0.602 44.652 45.100 0.256 0.000 0.798 227 G HN 0.534 nan 8.290 nan 0.000 0.488 228 I N 0.287 120.975 120.570 0.197 0.000 2.447 228 I HA 0.627 4.797 4.170 -0.000 0.000 0.287 228 I C -1.159 175.214 176.117 0.427 0.000 1.023 228 I CA -1.125 60.398 61.300 0.371 0.000 1.083 228 I CB 1.391 39.531 38.000 0.233 0.000 1.245 228 I HN 0.701 nan 8.210 nan 0.000 0.434 229 W N 8.372 129.892 121.300 0.367 0.000 2.436 229 W HA 0.625 5.285 4.660 -0.000 0.000 0.347 229 W C -0.987 175.657 176.519 0.207 0.000 1.136 229 W CA 0.554 58.052 57.345 0.256 0.000 1.286 229 W CB 0.776 30.383 29.460 0.245 0.000 1.253 229 W HN 0.696 nan 8.180 nan 0.000 0.617 230 H N 0.407 119.086 119.070 -0.653 0.000 2.901 230 H HA 0.273 4.829 4.556 -0.000 0.000 0.267 230 H C -1.017 173.716 175.328 -0.992 0.000 1.434 230 H CA -1.142 54.538 56.048 -0.613 0.000 1.215 230 H CB -0.062 29.572 29.762 -0.213 0.000 1.825 230 H HN 0.453 nan 8.280 nan 0.000 0.470 231 N N 0.235 118.772 118.700 -0.273 0.000 2.476 231 N HA 0.157 4.897 4.740 -0.000 0.000 0.287 231 N C 0.043 175.580 175.510 0.045 0.000 1.262 231 N CA -0.472 52.489 53.050 -0.147 0.000 0.980 231 N CB 0.143 38.661 38.487 0.052 0.000 1.163 231 N HN 0.671 nan 8.380 nan 0.000 0.592 232 N N 0.081 118.783 118.700 0.003 0.000 2.188 232 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 232 N C 0.932 176.418 175.510 -0.040 0.000 1.018 232 N CA 1.032 54.081 53.050 -0.002 0.000 0.858 232 N CB -0.214 38.271 38.487 -0.002 0.000 0.989 232 N HN 0.662 nan 8.380 nan 0.000 0.426 233 E N 0.659 120.849 120.200 -0.016 0.000 2.347 233 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 233 E C -0.179 176.374 176.600 -0.077 0.000 1.008 233 E CA 0.132 56.519 56.400 -0.021 0.000 0.852 233 E CB 0.015 29.732 29.700 0.029 0.000 0.783 233 E HN 0.186 nan 8.360 nan 0.000 0.505 234 K N 0.982 121.296 120.400 -0.142 0.000 3.278 234 K HA -0.193 4.127 4.320 -0.000 0.000 0.270 234 K C -0.171 176.417 176.600 -0.019 0.000 0.955 234 K CA 0.728 56.831 56.287 -0.307 0.000 0.723 234 K CB -1.186 30.760 32.500 -0.923 0.000 1.382 234 K HN 0.276 nan 8.250 nan 0.000 0.461 235 N N -0.215 118.558 118.700 0.122 0.000 2.160 235 N HA 0.120 4.860 4.740 -0.000 0.000 0.226 235 N C -0.665 175.046 175.510 0.334 0.000 1.256 235 N CA -0.322 52.858 53.050 0.216 0.000 0.890 235 N CB 0.480 39.066 38.487 0.165 0.000 1.116 235 N HN 0.149 nan 8.380 nan 0.000 0.517 236 F N 1.106 121.144 119.950 0.147 0.000 2.730 236 F HA 0.587 5.114 4.527 -0.000 0.000 0.335 236 F C -2.039 173.946 175.800 0.307 0.000 1.212 236 F CA -1.067 57.061 58.000 0.214 0.000 1.016 236 F CB 0.846 39.977 39.000 0.219 0.000 1.290 236 F HN -0.154 nan 8.300 nan 0.000 0.495 237 L N 5.424 126.571 121.223 -0.127 0.000 2.327 237 L HA 0.868 5.208 4.340 -0.000 0.000 0.258 237 L C -1.067 175.779 176.870 -0.041 0.000 1.024 237 L CA -1.228 53.653 54.840 0.067 0.000 0.825 237 L CB 2.045 44.209 42.059 0.175 0.000 1.386 237 L HN 0.260 nan 8.230 nan 0.000 0.417 238 V N -0.290 119.782 119.914 0.264 0.000 2.577 238 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 238 V C -1.224 175.155 176.094 0.475 0.000 1.042 238 V CA -0.501 61.917 62.300 0.196 0.000 0.872 238 V CB 1.825 33.701 31.823 0.088 0.000 0.998 238 V HN 0.532 nan 8.190 nan 0.000 0.423 239 W N 4.953 126.405 121.300 0.253 0.000 2.315 239 W HA 0.696 5.356 4.660 -0.000 0.000 0.316 239 W C -0.185 176.492 176.519 0.264 0.000 1.211 239 W CA -1.238 56.326 57.345 0.366 0.000 1.201 239 W CB 0.736 30.456 29.460 0.434 0.000 1.184 239 W HN 0.324 nan 8.180 nan 0.000 0.544 240 I N 3.941 124.816 120.570 0.508 0.000 2.509 240 I HA 0.171 4.341 4.170 -0.000 0.000 0.293 240 I C 0.319 176.539 176.117 0.172 0.000 1.020 240 I CA -0.859 60.615 61.300 0.291 0.000 1.088 240 I CB 1.506 39.658 38.000 0.253 0.000 1.267 240 I HN 0.394 nan 8.210 nan 0.000 0.430 241 N N 3.002 121.768 118.700 0.110 0.000 2.741 241 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 241 N C 0.546 175.990 175.510 -0.109 0.000 1.115 241 N CA 1.069 54.137 53.050 0.031 0.000 0.724 241 N CB -0.584 37.900 38.487 -0.006 0.000 1.090 241 N HN 0.776 nan 8.380 nan 0.000 0.558 242 E N 0.811 120.917 120.200 -0.158 0.000 3.145 242 E HA 0.024 4.374 4.350 -0.000 0.000 0.412 242 E C 1.273 177.832 176.600 -0.069 0.000 0.371 242 E CA 0.054 56.277 56.400 -0.295 0.000 2.392 242 E CB 0.093 29.408 29.700 -0.641 0.000 2.126 242 E HN 0.372 nan 8.360 nan 0.000 0.483 243 E N -0.144 120.038 120.200 -0.029 0.000 2.107 243 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 243 E C -0.312 176.292 176.600 0.006 0.000 0.982 243 E CA 0.797 57.209 56.400 0.020 0.000 0.809 243 E CB 0.266 29.995 29.700 0.048 0.000 0.756 243 E HN 0.171 nan 8.360 nan 0.000 0.459 244 D N -1.839 118.574 120.400 0.022 0.000 2.575 244 D HA 0.152 4.792 4.640 -0.000 0.000 0.236 244 D C 0.267 176.593 176.300 0.043 0.000 1.075 244 D CA -0.459 53.526 54.000 -0.026 0.000 0.860 244 D CB 1.160 41.967 40.800 0.012 0.000 1.475 244 D HN 0.162 nan 8.370 nan 0.000 0.474 245 H N 0.588 119.678 119.070 0.034 0.000 2.362 245 H HA -0.120 4.436 4.556 -0.000 0.000 0.294 245 H C 0.367 175.720 175.328 0.041 0.000 1.113 245 H CA 1.136 57.195 56.048 0.018 0.000 1.253 245 H CB 0.244 30.003 29.762 -0.005 0.000 1.363 245 H HN 0.280 nan 8.280 nan 0.000 0.494 246 I N -0.262 120.413 120.570 0.174 0.000 2.722 246 I HA 0.368 4.538 4.170 -0.000 0.000 0.295 246 I C -0.696 175.486 176.117 0.108 0.000 1.161 246 I CA -0.851 60.525 61.300 0.126 0.000 1.032 246 I CB 2.570 40.602 38.000 0.054 0.000 1.244 246 I HN -0.016 nan 8.210 nan 0.000 0.421 247 R N 4.111 124.683 120.500 0.119 0.000 2.574 247 R HA 0.627 4.967 4.340 -0.000 0.000 0.288 247 R C -1.579 174.691 176.300 -0.050 0.000 1.004 247 R CA -0.871 55.247 56.100 0.029 0.000 0.895 247 R CB 2.670 32.975 30.300 0.009 0.000 1.191 247 R HN 0.344 nan 8.270 nan 0.000 0.444 248 V N 5.420 125.311 119.914 -0.038 0.000 2.347 248 V HA 0.516 4.636 4.120 -0.000 0.000 0.280 248 V C 0.337 176.475 176.094 0.073 0.000 1.021 248 V CA -0.512 61.753 62.300 -0.058 0.000 0.847 248 V CB 1.421 33.218 31.823 -0.044 0.000 0.990 248 V HN 0.567 nan 8.190 nan 0.000 0.444 249 I N 3.257 123.800 120.570 -0.045 0.000 2.797 249 I HA 0.691 4.861 4.170 -0.000 0.000 0.307 249 I C -0.098 176.157 176.117 0.231 0.000 1.033 249 I CA -0.450 60.871 61.300 0.036 0.000 1.071 249 I CB 2.332 40.224 38.000 -0.180 0.000 1.255 249 I HN 0.592 nan 8.210 nan 0.000 0.445 250 S N 6.440 122.297 115.700 0.263 0.000 2.706 250 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 250 S C -0.876 173.832 174.600 0.179 0.000 1.163 250 S CA -0.682 57.716 58.200 0.331 0.000 1.042 250 S CB 0.639 64.125 63.200 0.477 0.000 1.079 250 S HN 0.626 nan 8.310 nan 0.000 0.474 251 M N 3.178 122.879 119.600 0.169 0.000 2.683 251 M HA 0.754 5.234 4.480 -0.000 0.000 0.274 251 M C -1.667 174.705 176.300 0.121 0.000 1.272 251 M CA -0.808 54.550 55.300 0.097 0.000 0.833 251 M CB 2.132 34.751 32.600 0.033 0.000 1.708 251 M HN 0.630 nan 8.290 nan 0.000 0.463 252 Q N 0.005 119.847 119.800 0.070 0.000 2.776 252 Q HA 0.492 4.832 4.340 -0.000 0.000 0.289 252 Q C -2.082 173.939 176.000 0.036 0.000 0.912 252 Q CA -1.199 54.653 55.803 0.082 0.000 0.789 252 Q CB 1.964 30.753 28.738 0.085 0.000 1.498 252 Q HN 0.816 nan 8.270 nan 0.000 0.408 253 K N 0.260 120.688 120.400 0.047 0.000 2.202 253 K HA 0.659 4.979 4.320 -0.000 0.000 0.264 253 K C 0.216 176.844 176.600 0.047 0.000 1.010 253 K CA 1.204 57.510 56.287 0.032 0.000 0.940 253 K CB 0.931 33.458 32.500 0.044 0.000 0.983 253 K HN 0.928 nan 8.250 nan 0.000 0.475 254 G N 0.143 108.974 108.800 0.052 0.000 2.566 254 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.599 254 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.599 254 G C 0.136 175.096 174.900 0.101 0.000 1.292 254 G CA -0.552 44.592 45.100 0.073 0.000 0.922 254 G HN 0.728 nan 8.290 nan 0.000 0.514 255 G N -0.908 107.970 108.800 0.131 0.000 3.707 255 G HA2 0.430 4.390 3.960 -0.000 0.000 0.286 255 G HA3 0.430 4.390 3.960 -0.000 0.000 0.286 255 G C 0.112 175.107 174.900 0.158 0.000 1.112 255 G CA 0.829 46.056 45.100 0.212 0.000 0.861 255 G HN 0.621 nan 8.290 nan 0.000 0.534 256 D N 1.253 121.711 120.400 0.096 0.000 2.741 256 D HA 0.116 4.756 4.640 -0.000 0.000 0.233 256 D C 1.641 177.984 176.300 0.072 0.000 1.160 256 D CA -0.383 53.648 54.000 0.052 0.000 1.003 256 D CB 0.186 41.014 40.800 0.046 0.000 1.064 256 D HN 0.116 nan 8.370 nan 0.000 0.503 257 L N 1.518 122.793 121.223 0.087 0.000 2.191 257 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 257 L C 2.127 179.072 176.870 0.125 0.000 1.103 257 L CA 1.079 55.989 54.840 0.116 0.000 0.769 257 L CB 0.112 42.279 42.059 0.182 0.000 0.908 257 L HN 0.208 nan 8.230 nan 0.000 0.438 258 K N -0.508 119.949 120.400 0.095 0.000 2.076 258 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 258 K C 1.979 178.661 176.600 0.136 0.000 1.051 258 K CA 1.059 57.448 56.287 0.169 0.000 0.949 258 K CB 0.037 32.605 32.500 0.113 0.000 0.726 258 K HN 0.333 nan 8.250 nan 0.000 0.443 259 A N 0.440 123.303 122.820 0.071 0.000 2.014 259 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 259 A C 2.080 179.683 177.584 0.032 0.000 1.163 259 A CA 0.912 52.960 52.037 0.019 0.000 0.652 259 A CB -0.245 18.769 19.000 0.024 0.000 0.808 259 A HN 0.136 nan 8.150 nan 0.000 0.449 260 V N -1.132 118.837 119.914 0.092 0.000 2.358 260 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 260 V C 2.229 178.451 176.094 0.213 0.000 1.047 260 V CA 1.887 64.266 62.300 0.130 0.000 1.035 260 V CB -0.864 31.029 31.823 0.116 0.000 0.658 260 V HN 0.629 nan 8.190 nan 0.000 0.452 261 F N 1.134 121.100 119.950 0.028 0.000 2.134 261 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 261 F C 2.718 178.527 175.800 0.015 0.000 1.097 261 F CA 1.624 59.661 58.000 0.062 0.000 1.264 261 F CB -0.828 38.212 39.000 0.067 0.000 1.001 261 F HN 0.157 nan 8.300 nan 0.000 0.479 262 S N 0.089 115.617 115.700 -0.286 0.000 2.359 262 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 262 S C 2.431 176.798 174.600 -0.387 0.000 1.035 262 S CA 1.563 59.277 58.200 -0.809 0.000 1.018 262 S CB -0.483 62.135 63.200 -0.969 0.000 0.876 262 S HN 0.524 nan 8.310 nan 0.000 0.448 263 R N -0.805 119.598 120.500 -0.162 0.000 2.075 263 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 263 R C 2.178 178.438 176.300 -0.068 0.000 1.126 263 R CA 1.722 57.756 56.100 -0.110 0.000 0.963 263 R CB -0.599 29.694 30.300 -0.010 0.000 0.858 263 R HN 0.565 nan 8.270 nan 0.000 0.435 264 F N 0.930 120.868 119.950 -0.020 0.000 2.216 264 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 264 F C 1.924 177.733 175.800 0.015 0.000 1.085 264 F CA 1.336 59.394 58.000 0.097 0.000 1.326 264 F CB -0.231 38.892 39.000 0.205 0.000 1.027 264 F HN 0.107 nan 8.300 nan 0.000 0.497 265 A N 0.854 123.614 122.820 -0.099 0.000 1.872 265 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 265 A C 2.355 179.788 177.584 -0.252 0.000 1.187 265 A CA 1.277 53.183 52.037 -0.218 0.000 0.614 265 A CB -0.723 18.123 19.000 -0.257 0.000 0.826 265 A HN 0.390 nan 8.150 nan 0.000 0.442 266 R N -0.905 119.445 120.500 -0.249 0.000 2.148 266 R HA -0.177 4.163 4.340 -0.000 0.000 0.230 266 R C 2.448 178.569 176.300 -0.298 0.000 1.120 266 R CA 1.634 57.587 56.100 -0.244 0.000 0.902 266 R CB -1.100 29.047 30.300 -0.254 0.000 0.839 266 R HN 0.525 nan 8.270 nan 0.000 0.431 267 G N 1.570 110.088 108.800 -0.470 0.000 2.513 267 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 267 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 267 G C 1.348 176.150 174.900 -0.163 0.000 1.160 267 G CA 0.999 45.773 45.100 -0.544 0.000 0.767 267 G HN 0.233 nan 8.290 nan 0.000 0.571 268 L N 0.652 121.719 121.223 -0.260 0.000 1.971 268 L HA -0.052 4.288 4.340 -0.000 0.000 0.215 268 L C 2.822 179.579 176.870 -0.189 0.000 1.072 268 L CA 1.637 56.305 54.840 -0.287 0.000 0.758 268 L CB -0.807 40.909 42.059 -0.572 0.000 0.889 268 L HN 0.275 nan 8.230 nan 0.000 0.433 269 L N -0.649 120.468 121.223 -0.177 0.000 2.013 269 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 269 L C 2.724 179.534 176.870 -0.100 0.000 1.073 269 L CA 1.551 56.321 54.840 -0.117 0.000 0.753 269 L CB -0.832 41.166 42.059 -0.101 0.000 0.890 269 L HN 0.352 nan 8.230 nan 0.000 0.432 270 E N -0.140 119.994 120.200 -0.110 0.000 2.070 270 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 270 E C 2.302 178.854 176.600 -0.081 0.000 1.004 270 E CA 1.406 57.752 56.400 -0.091 0.000 0.805 270 E CB -0.332 29.308 29.700 -0.100 0.000 0.744 270 E HN 0.317 nan 8.360 nan 0.000 0.451 271 V N 1.462 121.329 119.914 -0.079 0.000 2.307 271 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 271 V C 2.124 178.164 176.094 -0.090 0.000 1.045 271 V CA 1.842 64.087 62.300 -0.091 0.000 1.024 271 V CB -0.429 31.343 31.823 -0.086 0.000 0.651 271 V HN 0.272 nan 8.190 nan 0.000 0.449 272 E N -0.161 119.985 120.200 -0.090 0.000 2.204 272 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 272 E C 2.370 178.938 176.600 -0.053 0.000 0.989 272 E CA 0.958 57.316 56.400 -0.071 0.000 0.824 272 E CB -0.160 29.499 29.700 -0.068 0.000 0.756 272 E HN 0.486 nan 8.360 nan 0.000 0.477 273 R N 1.146 121.609 120.500 -0.061 0.000 2.062 273 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 273 R C 2.285 178.549 176.300 -0.061 0.000 1.125 273 R CA 0.671 56.738 56.100 -0.056 0.000 0.966 273 R CB -0.136 30.130 30.300 -0.057 0.000 0.861 273 R HN 0.152 nan 8.270 nan 0.000 0.433 274 L N 0.528 121.710 121.223 -0.067 0.000 2.191 274 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 274 L C 2.500 179.332 176.870 -0.063 0.000 1.103 274 L CA 0.795 55.593 54.840 -0.070 0.000 0.769 274 L CB -0.187 41.823 42.059 -0.082 0.000 0.908 274 L HN 0.295 nan 8.230 nan 0.000 0.438 275 M N -0.635 118.936 119.600 -0.048 0.000 2.236 275 M HA -0.158 4.322 4.480 -0.000 0.000 0.266 275 M C 2.216 178.491 176.300 -0.041 0.000 1.070 275 M CA 1.436 56.733 55.300 -0.005 0.000 1.137 275 M CB -0.703 31.900 32.600 0.005 0.000 1.378 275 M HN 0.154 nan 8.290 nan 0.000 0.426 276 K N 0.544 120.912 120.400 -0.053 0.000 2.025 276 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 276 K C 1.901 178.440 176.600 -0.102 0.000 1.049 276 K CA 1.505 57.753 56.287 -0.065 0.000 0.933 276 K CB 0.003 32.473 32.500 -0.050 0.000 0.714 276 K HN 0.241 nan 8.250 nan 0.000 0.438 277 E N -0.140 120.003 120.200 -0.096 0.000 2.118 277 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 277 E C 0.940 177.447 176.600 -0.156 0.000 0.992 277 E CA 1.276 57.614 56.400 -0.103 0.000 0.804 277 E CB 0.026 29.678 29.700 -0.080 0.000 0.741 277 E HN 0.375 nan 8.360 nan 0.000 0.458 278 C N 0.974 120.146 119.300 -0.213 0.000 2.509 278 C HA 0.251 4.711 4.460 -0.000 0.000 0.301 278 C C 1.331 175.879 174.990 -0.737 0.000 1.317 278 C CA 0.387 59.174 59.018 -0.384 0.000 1.667 278 C CB -1.471 26.094 27.740 -0.292 0.000 1.717 278 C HN 0.687 nan 8.230 nan 0.000 0.595 279 G N 1.114 109.667 108.800 -0.412 0.000 2.321 279 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 279 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 279 G C -0.309 174.408 174.900 -0.305 0.000 1.018 279 G CA 0.234 45.147 45.100 -0.311 0.000 0.855 279 G HN 0.835 nan 8.290 nan 0.000 0.507 280 H N -0.450 118.595 119.070 -0.042 0.000 2.551 280 H HA 0.548 5.104 4.556 -0.000 0.000 0.321 280 H C 0.920 176.229 175.328 -0.032 0.000 1.028 280 H CA -0.371 55.652 56.048 -0.042 0.000 1.215 280 H CB 1.507 31.235 29.762 -0.056 0.000 1.414 280 H HN 0.373 nan 8.280 nan 0.000 0.480 281 G N 2.720 111.572 108.800 0.086 0.000 2.476 281 G HA2 0.414 4.374 3.960 -0.000 0.000 0.269 281 G HA3 0.414 4.374 3.960 -0.000 0.000 0.269 281 G C -0.492 174.447 174.900 0.064 0.000 1.195 281 G CA -0.663 44.468 45.100 0.051 0.000 0.843 281 G HN 0.466 nan 8.290 nan 0.000 0.545 282 L N 1.403 122.674 121.223 0.082 0.000 2.317 282 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 282 L C 0.661 177.618 176.870 0.143 0.000 1.024 282 L CA -0.738 54.178 54.840 0.127 0.000 0.810 282 L CB 1.943 44.112 42.059 0.183 0.000 1.240 282 L HN 0.372 nan 8.230 nan 0.000 0.427 283 M N 3.151 122.820 119.600 0.115 0.000 2.327 283 M HA 0.023 4.503 4.480 -0.000 0.000 0.353 283 M C -0.638 175.700 176.300 0.064 0.000 1.539 283 M CA 0.823 56.148 55.300 0.041 0.000 1.039 283 M CB -0.406 32.183 32.600 -0.019 0.000 1.967 283 M HN 0.459 nan 8.290 nan 0.000 0.459 284 H N 2.323 121.298 119.070 -0.157 0.000 3.128 284 H HA 0.358 4.914 4.556 -0.000 0.000 0.336 284 H C -1.516 173.665 175.328 -0.246 0.000 1.026 284 H CA -0.686 55.204 56.048 -0.264 0.000 1.376 284 H CB 1.187 30.739 29.762 -0.350 0.000 1.882 284 H HN 0.728 nan 8.280 nan 0.000 0.479 285 N N 2.830 121.042 118.700 -0.815 0.000 2.430 285 N HA 0.112 4.852 4.740 -0.000 0.000 0.292 285 N C 0.545 175.638 175.510 -0.695 0.000 1.051 285 N CA -0.426 52.273 53.050 -0.586 0.000 0.917 285 N CB 1.462 39.648 38.487 -0.503 0.000 1.164 285 N HN 0.712 nan 8.380 nan 0.000 0.484 286 D N 1.770 121.983 120.400 -0.312 0.000 2.178 286 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 286 D C 1.475 177.707 176.300 -0.113 0.000 0.980 286 D CA 1.530 55.441 54.000 -0.147 0.000 0.842 286 D CB 0.364 41.144 40.800 -0.034 0.000 0.948 286 D HN 0.487 nan 8.370 nan 0.000 0.472 287 R N -0.902 119.525 120.500 -0.123 0.000 2.064 287 R HA 0.207 4.547 4.340 -0.000 0.000 0.221 287 R C 1.976 178.238 176.300 -0.063 0.000 1.136 287 R CA 0.417 56.510 56.100 -0.012 0.000 0.980 287 R CB -0.005 30.324 30.300 0.049 0.000 0.876 287 R HN 0.210 nan 8.270 nan 0.000 0.437 288 L N 0.444 121.498 121.223 -0.281 0.000 2.591 288 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 288 L C 1.011 177.535 176.870 -0.578 0.000 1.133 288 L CA 0.106 54.679 54.840 -0.445 0.000 0.880 288 L CB -0.029 41.689 42.059 -0.568 0.000 1.033 288 L HN 0.401 nan 8.230 nan 0.000 0.450 289 G N -0.540 107.906 108.800 -0.590 0.000 2.601 289 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.252 289 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.252 289 G C -0.372 174.170 174.900 -0.596 0.000 1.294 289 G CA -0.341 44.394 45.100 -0.608 0.000 0.912 289 G HN 0.069 nan 8.290 nan 0.000 0.574 290 Y N -0.315 119.891 120.300 -0.157 0.000 2.550 290 Y HA 0.468 5.018 4.550 -0.000 0.000 0.343 290 Y C 1.389 177.146 175.900 -0.237 0.000 1.245 290 Y CA 0.632 58.676 58.100 -0.093 0.000 1.462 290 Y CB 0.405 38.847 38.460 -0.030 0.000 1.340 290 Y HN 0.464 nan 8.280 nan 0.000 0.604 291 I N 2.392 122.930 120.570 -0.054 0.000 2.447 291 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 291 I C -0.663 175.377 176.117 -0.129 0.000 1.023 291 I CA -0.250 60.923 61.300 -0.211 0.000 1.083 291 I CB 1.238 38.995 38.000 -0.404 0.000 1.245 291 I HN 0.625 nan 8.210 nan 0.000 0.434 292 C N 2.514 121.763 119.300 -0.084 0.000 3.018 292 C HA 0.367 4.827 4.460 -0.000 0.000 0.393 292 C C 2.135 177.173 174.990 0.080 0.000 2.195 292 C CA -0.109 58.894 59.018 -0.025 0.000 1.696 292 C CB 1.804 29.542 27.740 -0.004 0.000 2.455 292 C HN 0.856 nan 8.230 nan 0.000 0.478 293 T N -0.176 114.421 114.554 0.072 0.000 2.643 293 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 293 T C 0.602 175.403 174.700 0.170 0.000 1.045 293 T CA 1.326 63.501 62.100 0.126 0.000 1.155 293 T CB -0.157 68.737 68.868 0.044 0.000 0.863 293 T HN 0.768 nan 8.240 nan 0.000 0.420 294 C N 2.839 122.194 119.300 0.093 0.000 2.330 294 C HA 0.421 4.881 4.460 -0.000 0.000 0.344 294 C C -1.515 173.510 174.990 0.058 0.000 1.273 294 C CA -2.251 56.782 59.018 0.026 0.000 1.879 294 C CB 0.931 28.678 27.740 0.011 0.000 2.376 294 C HN 0.301 nan 8.230 nan 0.000 0.534 295 P HA -0.109 nan 4.420 nan 0.000 0.224 295 P C 1.424 178.815 177.300 0.153 0.000 1.142 295 P CA 1.883 65.039 63.100 0.093 0.000 0.778 295 P CB -0.044 31.658 31.700 0.003 0.000 0.764 296 T N -5.900 108.680 114.554 0.043 0.000 3.055 296 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 296 T C 0.893 175.622 174.700 0.048 0.000 1.111 296 T CA 0.447 62.530 62.100 -0.029 0.000 1.118 296 T CB -0.538 68.197 68.868 -0.223 0.000 0.909 296 T HN -0.053 nan 8.240 nan 0.000 0.501 297 N N 1.640 120.364 118.700 0.040 0.000 2.817 297 N HA 0.546 5.286 4.740 -0.000 0.000 0.234 297 N C -0.813 174.683 175.510 -0.023 0.000 1.066 297 N CA -0.020 53.036 53.050 0.009 0.000 0.926 297 N CB 0.721 39.213 38.487 0.009 0.000 1.176 297 N HN 0.501 nan 8.380 nan 0.000 0.506 298 M N -1.383 118.156 119.600 -0.103 0.000 2.843 298 M HA 0.408 4.888 4.480 -0.000 0.000 0.273 298 M C 1.036 177.130 176.300 -0.343 0.000 1.286 298 M CA -0.697 54.461 55.300 -0.237 0.000 0.807 298 M CB 1.770 34.172 32.600 -0.329 0.000 1.684 298 M HN 0.458 nan 8.290 nan 0.000 0.458 299 G N 0.895 109.388 108.800 -0.512 0.000 3.099 299 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.331 299 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.331 299 G C 0.803 175.419 174.900 -0.474 0.000 1.216 299 G CA 1.874 46.438 45.100 -0.893 0.000 0.977 299 G HN 1.000 nan 8.290 nan 0.000 0.600 300 T N -1.420 113.026 114.554 -0.181 0.000 3.054 300 T HA 0.322 4.672 4.350 -0.000 0.000 0.259 300 T C 1.666 176.400 174.700 0.057 0.000 1.092 300 T CA 1.647 63.800 62.100 0.089 0.000 1.121 300 T CB -0.007 68.966 68.868 0.175 0.000 0.912 300 T HN 2.068 nan 8.240 nan 0.000 0.489 301 V N 0.004 119.911 119.914 -0.012 0.000 3.883 301 V HA -0.155 3.965 4.120 -0.000 0.000 0.217 301 V C 0.325 176.423 176.094 0.008 0.000 0.472 301 V CA 0.692 62.987 62.300 -0.008 0.000 0.955 301 V CB -2.908 28.911 31.823 -0.006 0.000 1.038 301 V HN 0.537 nan 8.190 nan 0.000 1.215 302 V N 1.079 120.998 119.914 0.009 0.000 2.370 302 V HA 0.545 4.665 4.120 -0.000 0.000 0.279 302 V C 0.419 176.469 176.094 -0.074 0.000 1.029 302 V CA -0.280 62.003 62.300 -0.028 0.000 0.870 302 V CB 1.753 33.574 31.823 -0.003 0.000 0.984 302 V HN 0.550 nan 8.190 nan 0.000 0.451 303 R N 3.874 124.307 120.500 -0.112 0.000 2.476 303 R HA 0.773 5.113 4.340 -0.000 0.000 0.305 303 R C -0.799 175.413 176.300 -0.147 0.000 0.965 303 R CA -0.352 55.686 56.100 -0.104 0.000 0.867 303 R CB 1.630 31.884 30.300 -0.075 0.000 1.176 303 R HN 0.773 nan 8.270 nan 0.000 0.447 304 A N 2.659 125.399 122.820 -0.134 0.000 2.343 304 A HA 0.642 4.962 4.320 -0.000 0.000 0.316 304 A C -1.046 176.494 177.584 -0.074 0.000 1.104 304 A CA -0.614 51.332 52.037 -0.152 0.000 0.768 304 A CB 1.511 20.385 19.000 -0.211 0.000 1.213 304 A HN 0.772 nan 8.150 nan 0.000 0.456 305 S N 0.487 116.154 115.700 -0.056 0.000 2.546 305 S HA 0.780 5.250 4.470 -0.000 0.000 0.274 305 S C -0.648 173.951 174.600 -0.001 0.000 1.121 305 S CA -0.287 57.908 58.200 -0.009 0.000 0.887 305 S CB 1.148 64.354 63.200 0.010 0.000 1.094 305 S HN 1.982 nan 8.310 nan 0.000 0.474 306 V N -0.660 119.277 119.914 0.037 0.000 2.656 306 V HA 0.586 4.706 4.120 -0.000 0.000 0.307 306 V C -0.665 175.530 176.094 0.168 0.000 1.051 306 V CA -0.779 61.549 62.300 0.047 0.000 0.893 306 V CB 1.163 32.978 31.823 -0.013 0.000 0.999 306 V HN 1.068 nan 8.190 nan 0.000 0.426 307 H N 4.560 123.625 119.070 -0.008 0.000 3.004 307 H HA 0.404 4.960 4.556 -0.000 0.000 0.267 307 H C -0.473 174.878 175.328 0.038 0.000 1.165 307 H CA -0.318 55.731 56.048 0.002 0.000 1.450 307 H CB 1.066 30.797 29.762 -0.053 0.000 1.488 307 H HN 0.550 nan 8.280 nan 0.000 0.478 308 L N 4.238 125.564 121.223 0.170 0.000 2.282 308 L HA 0.322 4.662 4.340 -0.000 0.000 0.288 308 L C 0.001 176.984 176.870 0.187 0.000 1.033 308 L CA -0.976 53.955 54.840 0.151 0.000 0.807 308 L CB 0.990 43.120 42.059 0.118 0.000 1.209 308 L HN 0.499 nan 8.230 nan 0.000 0.423 309 R N 5.350 125.951 120.500 0.168 0.000 2.207 309 R HA 0.473 4.813 4.340 -0.000 0.000 0.334 309 R C -1.446 174.964 176.300 0.183 0.000 1.013 309 R CA -0.104 56.078 56.100 0.138 0.000 0.858 309 R CB 0.477 30.802 30.300 0.042 0.000 1.094 309 R HN 0.665 nan 8.270 nan 0.000 0.457 310 L N 5.286 126.609 121.223 0.167 0.000 2.556 310 L HA 0.406 4.746 4.340 -0.000 0.000 0.243 310 L C 0.755 177.652 176.870 0.044 0.000 1.331 310 L CA -0.499 54.396 54.840 0.091 0.000 0.927 310 L CB 1.446 43.439 42.059 -0.111 0.000 1.219 310 L HN 0.906 nan 8.230 nan 0.000 0.490 311 A N 0.631 123.484 122.820 0.056 0.000 2.015 311 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 311 A C 1.641 179.074 177.584 -0.251 0.000 1.163 311 A CA 1.556 53.532 52.037 -0.102 0.000 0.646 311 A CB -0.176 18.725 19.000 -0.165 0.000 0.806 311 A HN 0.532 nan 8.150 nan 0.000 0.448 312 F N -1.441 118.493 119.950 -0.026 0.000 2.383 312 F HA 0.220 4.747 4.527 -0.000 0.000 0.287 312 F C 1.960 177.711 175.800 -0.081 0.000 1.069 312 F CA 0.456 58.438 58.000 -0.031 0.000 1.402 312 F CB -0.287 38.711 39.000 -0.003 0.000 1.116 312 F HN 0.101 nan 8.300 nan 0.000 0.549 313 L N 0.817 122.046 121.223 0.010 0.000 2.093 313 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 313 L C 2.374 178.972 176.870 -0.453 0.000 1.085 313 L CA 1.637 56.351 54.840 -0.209 0.000 0.755 313 L CB -0.470 41.390 42.059 -0.333 0.000 0.904 313 L HN 0.280 nan 8.230 nan 0.000 0.435 314 E N -0.492 119.366 120.200 -0.569 0.000 2.396 314 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 314 E C 1.543 178.045 176.600 -0.164 0.000 1.023 314 E CA 1.195 57.248 56.400 -0.578 0.000 0.857 314 E CB -0.034 29.545 29.700 -0.202 0.000 0.775 314 E HN 0.275 nan 8.360 nan 0.000 0.525 315 K N -0.009 120.338 120.400 -0.088 0.000 2.358 315 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 315 K C -0.006 176.611 176.600 0.027 0.000 1.025 315 K CA -0.033 56.247 56.287 -0.011 0.000 1.104 315 K CB 0.365 32.850 32.500 -0.024 0.000 0.855 315 K HN 0.213 nan 8.250 nan 0.000 0.531 316 H N 1.155 120.202 119.070 -0.039 0.000 2.610 316 H HA 0.074 4.630 4.556 -0.000 0.000 0.336 316 H C -1.742 173.611 175.328 0.042 0.000 1.087 316 H CA -1.622 54.428 56.048 0.003 0.000 1.405 316 H CB 1.498 31.256 29.762 -0.006 0.000 1.460 316 H HN -0.060 nan 8.280 nan 0.000 0.538 317 P HA -0.045 nan 4.420 nan 0.000 0.228 317 P C 0.632 178.007 177.300 0.126 0.000 1.151 317 P CA 0.958 64.067 63.100 0.015 0.000 0.770 317 P CB 0.306 31.961 31.700 -0.074 0.000 0.786 318 R N -2.490 118.197 120.500 0.311 0.000 2.397 318 R HA 0.133 4.473 4.340 -0.000 0.000 0.241 318 R C 1.763 178.169 176.300 0.178 0.000 0.914 318 R CA -0.384 55.846 56.100 0.217 0.000 1.071 318 R CB -0.519 29.914 30.300 0.222 0.000 1.116 318 R HN 0.018 nan 8.270 nan 0.000 0.524 319 F N 3.113 123.080 119.950 0.029 0.000 2.048 319 F HA -0.336 4.191 4.527 -0.000 0.000 0.296 319 F C 1.352 177.081 175.800 -0.118 0.000 1.109 319 F CA 1.975 59.930 58.000 -0.075 0.000 1.214 319 F CB -0.291 38.648 39.000 -0.101 0.000 0.963 319 F HN -0.036 nan 8.300 nan 0.000 0.491 320 D N -0.189 120.028 120.400 -0.305 0.000 2.178 320 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 320 D C 2.243 178.388 176.300 -0.257 0.000 0.974 320 D CA 1.329 55.072 54.000 -0.429 0.000 0.841 320 D CB -0.529 40.091 40.800 -0.300 0.000 0.953 320 D HN 0.626 nan 8.370 nan 0.000 0.478 321 E N 0.254 120.373 120.200 -0.135 0.000 2.077 321 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 321 E C 2.050 178.588 176.600 -0.103 0.000 0.989 321 E CA 0.750 57.093 56.400 -0.095 0.000 0.800 321 E CB -0.103 29.576 29.700 -0.035 0.000 0.746 321 E HN 0.217 nan 8.360 nan 0.000 0.452 322 M N 0.433 119.981 119.600 -0.086 0.000 2.099 322 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 322 M C 2.113 178.339 176.300 -0.122 0.000 1.067 322 M CA 1.407 56.663 55.300 -0.075 0.000 1.124 322 M CB -0.034 32.553 32.600 -0.022 0.000 1.353 322 M HN 0.179 nan 8.290 nan 0.000 0.410 323 L N -0.042 121.057 121.223 -0.207 0.000 2.191 323 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 323 L C 2.565 179.300 176.870 -0.225 0.000 1.103 323 L CA 1.100 55.798 54.840 -0.236 0.000 0.769 323 L CB -1.295 40.531 42.059 -0.389 0.000 0.908 323 L HN 0.555 nan 8.230 nan 0.000 0.438 324 G N 0.299 108.959 108.800 -0.235 0.000 2.453 324 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 324 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 324 G C 1.670 176.454 174.900 -0.194 0.000 1.201 324 G CA 0.573 45.524 45.100 -0.248 0.000 0.784 324 G HN 0.308 nan 8.290 nan 0.000 0.545 325 K N 0.076 120.398 120.400 -0.130 0.000 2.057 325 K HA 0.136 4.456 4.320 -0.000 0.000 0.206 325 K C 2.402 178.954 176.600 -0.080 0.000 1.050 325 K CA 0.577 56.812 56.287 -0.086 0.000 0.935 325 K CB -0.317 32.149 32.500 -0.057 0.000 0.715 325 K HN 0.218 nan 8.250 nan 0.000 0.439 326 L N 0.796 121.970 121.223 -0.082 0.000 2.450 326 L HA -0.054 4.286 4.340 -0.000 0.000 0.224 326 L C 0.020 176.855 176.870 -0.058 0.000 1.149 326 L CA 0.357 55.161 54.840 -0.060 0.000 0.816 326 L CB -0.356 41.669 42.059 -0.057 0.000 0.932 326 L HN 0.260 nan 8.230 nan 0.000 0.449 327 R N 0.142 120.585 120.500 -0.096 0.000 3.332 327 R HA -0.122 4.218 4.340 -0.000 0.000 0.263 327 R C -0.785 175.523 176.300 0.014 0.000 1.053 327 R CA 0.577 56.630 56.100 -0.078 0.000 0.705 327 R CB -2.508 27.763 30.300 -0.047 0.000 1.166 327 R HN 0.316 nan 8.270 nan 0.000 0.427 328 L N -0.617 120.588 121.223 -0.029 0.000 2.334 328 L HA 0.691 5.031 4.340 -0.000 0.000 0.273 328 L C 1.345 178.251 176.870 0.060 0.000 1.013 328 L CA -0.646 54.211 54.840 0.028 0.000 0.816 328 L CB 2.021 44.063 42.059 -0.028 0.000 1.278 328 L HN 0.207 nan 8.230 nan 0.000 0.431 329 G N 1.013 109.931 108.800 0.197 0.000 2.477 329 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 329 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 329 G C -1.195 173.784 174.900 0.132 0.000 1.175 329 G CA -0.361 44.917 45.100 0.296 0.000 0.907 329 G HN 0.565 nan 8.290 nan 0.000 0.509 330 K N 0.582 121.070 120.400 0.146 0.000 2.578 330 K HA 0.473 4.793 4.320 -0.000 0.000 0.250 330 K C -0.428 176.379 176.600 0.346 0.000 0.955 330 K CA -0.671 55.690 56.287 0.123 0.000 0.825 330 K CB 1.372 33.792 32.500 -0.134 0.000 1.151 330 K HN 0.607 nan 8.250 nan 0.000 0.432 331 R N 1.462 122.196 120.500 0.390 0.000 2.950 331 R HA 0.502 4.842 4.340 -0.000 0.000 0.253 331 R C 0.177 176.714 176.300 0.395 0.000 1.168 331 R CA -1.121 55.211 56.100 0.386 0.000 1.014 331 R CB 1.313 31.728 30.300 0.191 0.000 1.228 331 R HN 0.684 nan 8.270 nan 0.000 0.487 332 G N -0.666 108.201 108.800 0.111 0.000 2.588 332 G HA2 0.161 4.121 3.960 -0.000 0.000 0.281 332 G HA3 0.161 4.121 3.960 -0.000 0.000 0.281 332 G C 0.538 175.406 174.900 -0.053 0.000 1.236 332 G CA -0.401 44.704 45.100 0.008 0.000 0.969 332 G HN 0.499 nan 8.290 nan 0.000 0.504 333 T N -0.076 114.395 114.554 -0.139 0.000 2.821 333 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 333 T C 1.917 176.584 174.700 -0.054 0.000 1.046 333 T CA 1.291 63.246 62.100 -0.241 0.000 1.139 333 T CB -0.130 68.615 68.868 -0.204 0.000 0.871 333 T HN 0.616 nan 8.240 nan 0.000 0.454 334 G N 0.609 109.415 108.800 0.010 0.000 3.678 334 G HA2 0.513 4.473 3.960 -0.000 0.000 0.287 334 G HA3 0.513 4.473 3.960 -0.000 0.000 0.287 334 G C 0.646 175.575 174.900 0.049 0.000 1.280 334 G CA -0.005 45.149 45.100 0.090 0.000 1.118 334 G HN 0.763 nan 8.290 nan 0.000 0.563 335 G N 0.004 108.839 108.800 0.058 0.000 2.660 335 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 335 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 335 G C 0.605 175.474 174.900 -0.052 0.000 1.345 335 G CA 0.207 45.337 45.100 0.050 0.000 0.877 335 G HN 0.287 nan 8.290 nan 0.000 0.549 336 E N -0.124 120.049 120.200 -0.045 0.000 2.048 336 E HA -0.140 4.210 4.350 -0.000 0.000 0.202 336 E C 2.223 178.605 176.600 -0.363 0.000 1.021 336 E CA 1.931 58.271 56.400 -0.100 0.000 0.825 336 E CB -0.273 29.404 29.700 -0.038 0.000 0.756 336 E HN 0.869 nan 8.360 nan 0.000 0.454 337 S N 0.295 115.682 115.700 -0.523 0.000 3.697 337 S HA 0.243 4.713 4.470 -0.000 0.000 0.207 337 S C -0.253 173.567 174.600 -1.301 0.000 1.459 337 S CA -0.153 57.298 58.200 -1.248 0.000 1.122 337 S CB 0.160 62.943 63.200 -0.695 0.000 1.311 337 S HN 0.249 nan 8.310 nan 0.000 0.487 338 S N 0.852 115.965 115.700 -0.978 0.000 2.656 338 S HA 0.751 5.221 4.470 -0.000 0.000 0.273 338 S C -0.925 173.519 174.600 -0.261 0.000 1.168 338 S CA -1.047 56.890 58.200 -0.439 0.000 0.817 338 S CB 0.795 63.858 63.200 -0.228 0.000 1.146 338 S HN 0.371 nan 8.310 nan 0.000 0.475 339 L N 0.873 122.027 121.223 -0.115 0.000 2.298 339 L HA 0.802 5.142 4.340 -0.000 0.000 0.268 339 L C 0.678 177.507 176.870 -0.068 0.000 1.010 339 L CA -1.237 53.511 54.840 -0.152 0.000 0.812 339 L CB 1.447 43.497 42.059 -0.014 0.000 1.331 339 L HN 1.018 nan 8.230 nan 0.000 0.450 340 A N 0.619 123.460 122.820 0.036 0.000 2.488 340 A HA 0.408 4.728 4.320 -0.000 0.000 0.249 340 A C 0.080 177.546 177.584 -0.197 0.000 1.083 340 A CA 0.094 51.984 52.037 -0.245 0.000 0.768 340 A CB -0.168 18.388 19.000 -0.739 0.000 1.017 340 A HN 0.639 nan 8.150 nan 0.000 0.496 341 T N 0.127 114.552 114.554 -0.214 0.000 2.807 341 T HA 0.496 4.846 4.350 -0.000 0.000 0.279 341 T C -0.194 174.418 174.700 -0.147 0.000 0.993 341 T CA -0.103 61.915 62.100 -0.136 0.000 0.970 341 T CB 1.189 70.005 68.868 -0.086 0.000 0.950 341 T HN 0.786 nan 8.240 nan 0.000 0.441 342 D N 2.303 122.641 120.400 -0.104 0.000 2.716 342 D HA -0.193 4.447 4.640 -0.000 0.000 0.239 342 D C 0.451 176.695 176.300 -0.094 0.000 1.125 342 D CA 1.349 55.300 54.000 -0.082 0.000 0.681 342 D CB -1.551 39.212 40.800 -0.061 0.000 1.070 342 D HN 0.962 nan 8.370 nan 0.000 0.432 343 S N -1.419 114.212 115.700 -0.115 0.000 3.419 343 S HA -0.242 4.228 4.470 -0.000 0.000 0.350 343 S C 0.359 174.935 174.600 -0.039 0.000 1.128 343 S CA 1.514 59.689 58.200 -0.042 0.000 0.999 343 S CB -0.919 62.300 63.200 0.033 0.000 0.923 343 S HN 0.532 nan 8.310 nan 0.000 0.522 344 T N 1.379 115.787 114.554 -0.243 0.000 2.779 344 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 344 T C -0.660 173.843 174.700 -0.328 0.000 0.987 344 T CA -0.247 61.767 62.100 -0.144 0.000 0.966 344 T CB 0.728 69.522 68.868 -0.124 0.000 0.933 344 T HN 0.189 nan 8.240 nan 0.000 0.442 345 Y N 0.960 121.257 120.300 -0.005 0.000 2.409 345 Y HA 0.333 4.883 4.550 -0.000 0.000 0.343 345 Y C 0.285 176.198 175.900 0.021 0.000 0.973 345 Y CA -1.541 56.587 58.100 0.046 0.000 1.064 345 Y CB 1.146 39.693 38.460 0.145 0.000 1.207 345 Y HN 0.510 nan 8.280 nan 0.000 0.452 346 D N 3.629 124.128 120.400 0.164 0.000 2.367 346 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 346 D C -0.765 175.656 176.300 0.202 0.000 1.300 346 D CA 0.233 54.354 54.000 0.202 0.000 0.959 346 D CB 0.184 41.091 40.800 0.179 0.000 1.064 346 D HN 0.251 nan 8.370 nan 0.000 0.509 347 I N 3.184 123.854 120.570 0.167 0.000 2.336 347 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 347 I C 0.738 176.898 176.117 0.072 0.000 0.991 347 I CA -0.690 60.674 61.300 0.107 0.000 1.227 347 I CB 0.652 38.694 38.000 0.071 0.000 1.366 347 I HN 0.346 nan 8.210 nan 0.000 0.466 348 S N 5.812 121.556 115.700 0.073 0.000 2.685 348 S HA 0.560 5.030 4.470 -0.000 0.000 0.282 348 S C -0.650 173.988 174.600 0.063 0.000 1.159 348 S CA -1.039 57.191 58.200 0.049 0.000 0.833 348 S CB 2.092 65.318 63.200 0.042 0.000 1.151 348 S HN 0.625 nan 8.310 nan 0.000 0.485 349 N N 1.071 119.791 118.700 0.035 0.000 2.492 349 N HA -0.055 4.685 4.740 -0.000 0.000 0.260 349 N C 0.549 176.129 175.510 0.116 0.000 1.215 349 N CA -0.549 52.539 53.050 0.063 0.000 0.923 349 N CB 0.600 39.098 38.487 0.018 0.000 1.092 349 N HN 0.942 nan 8.380 nan 0.000 0.448 350 W N 2.413 123.690 121.300 -0.038 0.000 2.452 350 W HA 0.119 4.779 4.660 -0.000 0.000 0.313 350 W C 0.116 176.618 176.519 -0.029 0.000 1.176 350 W CA 0.937 58.256 57.345 -0.042 0.000 1.350 350 W CB -0.072 29.346 29.460 -0.070 0.000 1.148 350 W HN 0.609 nan 8.180 nan 0.000 0.498 351 A N 1.223 124.097 122.820 0.089 0.000 2.304 351 A HA 0.380 4.700 4.320 -0.000 0.000 0.271 351 A C 0.731 178.388 177.584 0.121 0.000 1.091 351 A CA -0.183 51.898 52.037 0.072 0.000 0.812 351 A CB 0.672 19.805 19.000 0.222 0.000 1.056 351 A HN 0.439 nan 8.150 nan 0.000 0.489 352 R N 0.256 120.911 120.500 0.259 0.000 2.556 352 R HA 0.300 4.640 4.340 -0.000 0.000 0.276 352 R C -0.486 175.793 176.300 -0.035 0.000 0.931 352 R CA -0.228 55.923 56.100 0.085 0.000 1.061 352 R CB 0.447 30.772 30.300 0.041 0.000 1.432 352 R HN 0.562 nan 8.270 nan 0.000 0.547 353 L N 0.708 121.802 121.223 -0.216 0.000 2.322 353 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 353 L C 0.328 177.102 176.870 -0.161 0.000 1.014 353 L CA 0.240 54.772 54.840 -0.514 0.000 0.815 353 L CB 1.717 42.927 42.059 -1.415 0.000 1.247 353 L HN 0.500 nan 8.230 nan 0.000 0.421 354 G N 3.643 112.475 108.800 0.052 0.000 2.253 354 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.209 354 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.209 354 G C 0.006 174.979 174.900 0.122 0.000 0.997 354 G CA -0.361 44.887 45.100 0.246 0.000 0.640 354 G HN 0.509 nan 8.290 nan 0.000 0.496 355 K N 0.949 121.382 120.400 0.054 0.000 2.426 355 K HA 0.622 4.942 4.320 -0.000 0.000 0.251 355 K C 0.389 176.966 176.600 -0.038 0.000 0.941 355 K CA -0.115 56.172 56.287 0.000 0.000 0.808 355 K CB 2.193 34.727 32.500 0.055 0.000 1.265 355 K HN 0.415 nan 8.250 nan 0.000 0.432 356 S N 0.631 116.297 115.700 -0.056 0.000 2.596 356 S HA 0.016 4.486 4.470 -0.000 0.000 0.260 356 S C 0.933 175.584 174.600 0.084 0.000 1.336 356 S CA -0.168 58.034 58.200 0.005 0.000 0.993 356 S CB 0.729 63.941 63.200 0.021 0.000 0.923 356 S HN 0.617 nan 8.310 nan 0.000 0.567 357 E N 0.790 121.082 120.200 0.153 0.000 2.058 357 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 357 E C 2.217 178.860 176.600 0.072 0.000 0.997 357 E CA 1.614 58.112 56.400 0.163 0.000 0.801 357 E CB -0.235 29.668 29.700 0.338 0.000 0.746 357 E HN 0.720 nan 8.360 nan 0.000 0.450 358 R N 1.072 121.675 120.500 0.172 0.000 2.073 358 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 358 R C 1.888 178.199 176.300 0.017 0.000 1.134 358 R CA 1.692 57.868 56.100 0.127 0.000 0.952 358 R CB -0.160 30.267 30.300 0.211 0.000 0.850 358 R HN 0.216 nan 8.270 nan 0.000 0.433 359 E N 0.537 120.757 120.200 0.034 0.000 2.085 359 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 359 E C 2.139 178.737 176.600 -0.003 0.000 0.994 359 E CA 1.607 58.019 56.400 0.020 0.000 0.801 359 E CB -0.107 29.610 29.700 0.028 0.000 0.743 359 E HN 0.421 nan 8.360 nan 0.000 0.453 360 L N 0.280 121.492 121.223 -0.018 0.000 2.072 360 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 360 L C 2.504 179.326 176.870 -0.079 0.000 1.079 360 L CA 0.580 55.402 54.840 -0.030 0.000 0.752 360 L CB -0.329 41.717 42.059 -0.023 0.000 0.906 360 L HN 0.026 nan 8.230 nan 0.000 0.436 361 V N -0.402 119.407 119.914 -0.175 0.000 2.392 361 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 361 V C 2.446 178.481 176.094 -0.099 0.000 1.059 361 V CA 1.834 63.995 62.300 -0.232 0.000 1.051 361 V CB -0.531 30.964 31.823 -0.546 0.000 0.658 361 V HN 0.433 nan 8.190 nan 0.000 0.455 362 Q N 0.213 119.978 119.800 -0.059 0.000 2.050 362 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 362 Q C 2.147 178.155 176.000 0.014 0.000 0.980 362 Q CA 2.140 57.942 55.803 -0.002 0.000 0.840 362 Q CB -0.635 28.110 28.738 0.012 0.000 0.898 362 Q HN 0.445 nan 8.270 nan 0.000 0.424 363 V N 0.990 120.907 119.914 0.005 0.000 2.278 363 V HA -0.315 3.805 4.120 -0.000 0.000 0.251 363 V C 2.320 178.422 176.094 0.014 0.000 1.062 363 V CA 2.039 64.347 62.300 0.012 0.000 1.038 363 V CB -0.899 30.933 31.823 0.014 0.000 0.646 363 V HN 0.506 nan 8.190 nan 0.000 0.447 364 L N -0.064 121.163 121.223 0.007 0.000 1.989 364 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 364 L C 2.502 179.400 176.870 0.047 0.000 1.071 364 L CA 2.277 57.124 54.840 0.012 0.000 0.749 364 L CB -0.620 41.438 42.059 -0.002 0.000 0.890 364 L HN 0.241 nan 8.230 nan 0.000 0.431 365 V N 0.851 120.831 119.914 0.111 0.000 2.219 365 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 365 V C 2.432 178.616 176.094 0.150 0.000 1.053 365 V CA 2.305 64.750 62.300 0.243 0.000 1.009 365 V CB -0.818 31.125 31.823 0.199 0.000 0.636 365 V HN 0.455 nan 8.190 nan 0.000 0.445 366 D N 0.575 121.025 120.400 0.084 0.000 2.127 366 D HA -0.173 4.467 4.640 -0.000 0.000 0.190 366 D C 2.181 178.495 176.300 0.022 0.000 1.000 366 D CA 1.891 55.921 54.000 0.051 0.000 0.839 366 D CB -0.996 39.822 40.800 0.030 0.000 0.955 366 D HN 0.481 nan 8.370 nan 0.000 0.446 367 G N 0.735 109.538 108.800 0.006 0.000 2.513 367 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 367 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 367 G C 1.862 176.737 174.900 -0.041 0.000 1.160 367 G CA 1.269 46.358 45.100 -0.018 0.000 0.767 367 G HN 0.294 nan 8.290 nan 0.000 0.571 368 V N 1.244 121.118 119.914 -0.066 0.000 2.594 368 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 368 V C 2.621 178.624 176.094 -0.152 0.000 1.069 368 V CA 1.765 63.967 62.300 -0.164 0.000 1.082 368 V CB -0.445 31.156 31.823 -0.371 0.000 0.680 368 V HN 0.307 nan 8.190 nan 0.000 0.469 369 N N 0.168 118.840 118.700 -0.046 0.000 2.106 369 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 369 N C 1.657 177.130 175.510 -0.061 0.000 1.029 369 N CA 1.240 54.279 53.050 -0.018 0.000 0.848 369 N CB -0.426 38.095 38.487 0.056 0.000 1.007 369 N HN 0.440 nan 8.380 nan 0.000 0.423 370 L N 0.772 121.966 121.223 -0.049 0.000 2.201 370 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 370 L C 1.816 178.639 176.870 -0.078 0.000 1.105 370 L CA 1.099 55.905 54.840 -0.057 0.000 0.775 370 L CB -0.310 41.724 42.059 -0.041 0.000 0.913 370 L HN 0.096 nan 8.230 nan 0.000 0.440 371 L N -1.090 120.084 121.223 -0.082 0.000 2.109 371 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 371 L C 2.423 179.209 176.870 -0.140 0.000 1.086 371 L CA 1.163 55.954 54.840 -0.081 0.000 0.760 371 L CB -0.334 41.699 42.059 -0.044 0.000 0.910 371 L HN 0.251 nan 8.230 nan 0.000 0.437 372 I N -0.460 119.981 120.570 -0.214 0.000 2.252 372 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 372 I C 2.772 178.707 176.117 -0.303 0.000 1.102 372 I CA 0.981 62.046 61.300 -0.390 0.000 1.385 372 I CB -0.394 37.273 38.000 -0.556 0.000 1.064 372 I HN 0.201 nan 8.210 nan 0.000 0.414 373 A N 0.325 123.030 122.820 -0.192 0.000 1.865 373 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 373 A C 2.482 179.997 177.584 -0.115 0.000 1.191 373 A CA 2.080 54.038 52.037 -0.132 0.000 0.623 373 A CB -1.318 17.629 19.000 -0.090 0.000 0.826 373 A HN 0.538 nan 8.150 nan 0.000 0.444 374 C N -0.854 118.379 119.300 -0.112 0.000 2.398 374 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 374 C C 2.458 177.390 174.990 -0.097 0.000 1.222 374 C CA 1.385 60.336 59.018 -0.112 0.000 1.746 374 C CB -1.441 26.219 27.740 -0.132 0.000 2.039 374 C HN 0.736 nan 8.230 nan 0.000 0.470 375 D N 0.290 120.641 120.400 -0.081 0.000 2.182 375 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 375 D C 2.194 178.474 176.300 -0.033 0.000 0.986 375 D CA 1.253 55.253 54.000 0.001 0.000 0.847 375 D CB -0.080 40.774 40.800 0.090 0.000 0.942 375 D HN 0.507 nan 8.370 nan 0.000 0.467 376 K N -0.173 120.188 120.400 -0.064 0.000 2.116 376 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 376 K C 2.071 178.598 176.600 -0.122 0.000 1.052 376 K CA 0.495 56.736 56.287 -0.078 0.000 0.952 376 K CB 0.171 32.639 32.500 -0.054 0.000 0.729 376 K HN 0.005 nan 8.250 nan 0.000 0.446 377 K N 1.452 121.792 120.400 -0.099 0.000 1.969 377 K HA -0.128 4.192 4.320 -0.000 0.000 0.216 377 K C 2.222 178.758 176.600 -0.105 0.000 1.048 377 K CA 1.300 57.534 56.287 -0.087 0.000 0.948 377 K CB -0.784 31.675 32.500 -0.068 0.000 0.726 377 K HN 0.111 nan 8.250 nan 0.000 0.442 378 L N 1.188 122.360 121.223 -0.086 0.000 2.010 378 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 378 L C 2.700 179.418 176.870 -0.253 0.000 1.077 378 L CA 1.727 56.532 54.840 -0.057 0.000 0.773 378 L CB -0.612 41.486 42.059 0.065 0.000 0.892 378 L HN 0.413 nan 8.230 nan 0.000 0.436 379 E N 0.033 119.880 120.200 -0.588 0.000 2.147 379 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 379 E C 1.809 178.114 176.600 -0.490 0.000 1.005 379 E CA 1.286 57.018 56.400 -1.113 0.000 0.810 379 E CB -0.014 29.120 29.700 -0.943 0.000 0.736 379 E HN 0.523 nan 8.360 nan 0.000 0.460 380 A N -0.232 122.428 122.820 -0.267 0.000 2.276 380 A HA 0.260 4.580 4.320 -0.000 0.000 0.212 380 A C 1.449 178.980 177.584 -0.088 0.000 1.230 380 A CA 0.824 52.776 52.037 -0.142 0.000 0.844 380 A CB -0.378 18.563 19.000 -0.098 0.000 0.860 380 A HN 0.412 nan 8.150 nan 0.000 0.486 381 G N -1.216 107.534 108.800 -0.085 0.000 2.160 381 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 381 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 381 G C 0.028 174.922 174.900 -0.010 0.000 1.008 381 G CA 0.607 45.694 45.100 -0.022 0.000 0.724 381 G HN 0.673 nan 8.290 nan 0.000 0.514 382 Q N 0.093 119.880 119.800 -0.022 0.000 2.309 382 Q HA 0.618 4.958 4.340 -0.000 0.000 0.264 382 Q C 0.675 176.679 176.000 0.007 0.000 1.008 382 Q CA -0.067 55.730 55.803 -0.010 0.000 0.853 382 Q CB 1.508 30.230 28.738 -0.026 0.000 1.314 382 Q HN 0.600 nan 8.270 nan 0.000 0.448 383 S N 2.250 117.963 115.700 0.022 0.000 2.603 383 S HA 0.311 4.781 4.470 -0.000 0.000 0.268 383 S C 0.597 175.207 174.600 0.018 0.000 1.317 383 S CA -0.478 57.751 58.200 0.049 0.000 1.012 383 S CB 0.423 63.657 63.200 0.057 0.000 0.926 383 S HN 0.715 nan 8.310 nan 0.000 0.539 384 I N -1.689 118.891 120.570 0.016 0.000 3.966 384 I HA 0.328 4.498 4.170 -0.000 0.000 0.324 384 I C 1.024 177.112 176.117 -0.050 0.000 1.517 384 I CA -0.258 61.006 61.300 -0.060 0.000 1.117 384 I CB 0.157 38.055 38.000 -0.171 0.000 1.190 384 I HN 0.679 nan 8.210 nan 0.000 0.466 385 D N 3.466 123.876 120.400 0.017 0.000 2.104 385 D HA -0.293 4.347 4.640 -0.000 0.000 0.194 385 D C 1.533 177.836 176.300 0.004 0.000 0.994 385 D CA 2.402 56.421 54.000 0.031 0.000 0.830 385 D CB -0.048 40.784 40.800 0.053 0.000 0.959 385 D HN 0.656 nan 8.370 nan 0.000 0.452 386 D N 0.260 120.659 120.400 -0.001 0.000 2.265 386 D HA -0.210 4.430 4.640 -0.000 0.000 0.208 386 D C 2.054 178.343 176.300 -0.018 0.000 0.977 386 D CA 0.841 54.837 54.000 -0.007 0.000 0.871 386 D CB -0.550 40.246 40.800 -0.007 0.000 0.925 386 D HN 0.393 nan 8.370 nan 0.000 0.485 387 M N 0.030 119.611 119.600 -0.031 0.000 2.394 387 M HA 0.158 4.638 4.480 -0.000 0.000 0.266 387 M C 1.139 177.412 176.300 -0.044 0.000 1.098 387 M CA 0.024 55.299 55.300 -0.042 0.000 1.149 387 M CB -0.082 32.481 32.600 -0.062 0.000 1.369 387 M HN -0.125 nan 8.290 nan 0.000 0.450 388 I N 3.199 123.741 120.570 -0.046 0.000 2.662 388 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 388 I C -1.866 174.236 176.117 -0.024 0.000 1.161 388 I CA -1.372 59.906 61.300 -0.038 0.000 1.415 388 I CB -0.164 37.822 38.000 -0.024 0.000 1.385 388 I HN -0.114 nan 8.210 nan 0.000 0.552 389 P HA -0.064 nan 4.420 nan 0.000 0.263 389 P C -0.396 176.895 177.300 -0.014 0.000 1.168 389 P CA 0.133 63.221 63.100 -0.021 0.000 0.759 389 P CB 0.400 32.083 31.700 -0.027 0.000 0.782 390 K N 0.000 120.395 120.400 -0.009 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 390 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543