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 2wwt_1_B DATA FIRST_RESID 3 DATA SEQUENCE KFRLIPYKQV DKVSALSEVP MGVEIVEAPA VWRASAKGAG QIIGVIDTGC DATA SEQUENCE QVDHPDLAER IIGGVNLTTD YGGDETNFSD NNGHGTHVAG TVAAAETGSG DATA SEQUENCE VVGVAPKADL FIIKALSGDG SGEMGWIAKA IRYAVDWRGP KGEQMRIITM DATA SEQUENCE SLGGPTDSEE LHDAVKYAVS NNVSVVCAAG NXXXXXXXXX EFAYPAAYNE DATA SEQUENCE VIAVGAVDFD LRLXXXXXXX XEIDIVAPGV GIKSTYLDSG YAELSGTAMA DATA SEQUENCE APHVAGALAL IINLAEDAFK RSLSETEIYA QLVRRATPIG FTAQAEGNGF DATA SEQUENCE LTLDLVERIT GQFTE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.625 176.600 0.042 0.000 0.988 3 K CA 0.000 56.335 56.287 0.081 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 F N 1.029 120.916 119.950 -0.105 0.000 2.408 4 F HA 0.600 5.128 4.527 0.001 0.000 0.344 4 F C 0.431 176.245 175.800 0.024 0.000 1.112 4 F CA -0.487 57.493 58.000 -0.032 0.000 1.096 4 F CB 1.473 40.472 39.000 -0.001 0.000 1.129 4 F HN 0.303 nan 8.300 nan 0.000 0.486 5 R N 1.552 122.204 120.500 0.253 0.000 2.867 5 R HA 0.475 4.816 4.340 0.001 0.000 0.268 5 R C -1.301 175.205 176.300 0.344 0.000 1.014 5 R CA -1.294 54.980 56.100 0.289 0.000 0.946 5 R CB 2.307 32.797 30.300 0.318 0.000 1.208 5 R HN 0.484 nan 8.270 nan 0.000 0.477 6 L N 3.634 125.006 121.223 0.248 0.000 2.462 6 L HA 0.212 4.552 4.340 0.001 0.000 0.272 6 L C -0.129 176.766 176.870 0.042 0.000 1.166 6 L CA 0.372 55.316 54.840 0.173 0.000 0.880 6 L CB 0.298 42.444 42.059 0.146 0.000 1.142 6 L HN 0.549 nan 8.230 nan 0.000 0.473 7 I N 6.688 127.196 120.570 -0.103 0.000 2.754 7 I HA 0.110 4.280 4.170 0.001 0.000 0.285 7 I C -1.914 174.057 176.117 -0.244 0.000 1.166 7 I CA -1.493 59.518 61.300 -0.481 0.000 1.417 7 I CB 0.336 38.098 38.000 -0.396 0.000 1.382 7 I HN 0.503 nan 8.210 nan 0.000 0.588 8 P HA 0.358 nan 4.420 nan 0.000 0.279 8 P C -1.584 175.672 177.300 -0.074 0.000 1.252 8 P CA -0.257 62.717 63.100 -0.209 0.000 0.811 8 P CB 0.722 32.296 31.700 -0.209 0.000 1.035 9 Y N -2.239 117.965 120.300 -0.160 0.000 2.565 9 Y HA 0.544 5.095 4.550 0.002 0.000 0.330 9 Y C -1.108 174.726 175.900 -0.110 0.000 1.150 9 Y CA -1.451 56.567 58.100 -0.137 0.000 1.055 9 Y CB 0.826 39.194 38.460 -0.155 0.000 1.337 9 Y HN -0.001 nan 8.280 nan 0.000 0.457 10 K N 2.387 122.812 120.400 0.041 0.000 2.249 10 K HA 0.165 4.486 4.320 0.001 0.000 0.280 10 K C -0.642 175.998 176.600 0.067 0.000 1.033 10 K CA -0.443 55.837 56.287 -0.011 0.000 0.946 10 K CB 1.350 33.845 32.500 -0.008 0.000 1.005 10 K HN 0.822 nan 8.250 nan 0.000 0.469 11 Q N 3.485 123.283 119.800 -0.003 0.000 2.655 11 Q HA 0.096 4.436 4.340 0.001 0.000 0.228 11 Q C 0.529 176.519 176.000 -0.017 0.000 1.186 11 Q CA -0.153 55.653 55.803 0.005 0.000 1.004 11 Q CB 0.582 29.303 28.738 -0.030 0.000 1.242 11 Q HN 0.364 nan 8.270 nan 0.000 0.558 12 V N 1.597 121.511 119.914 -0.001 0.000 2.594 12 V HA -0.109 4.012 4.120 0.001 0.000 0.253 12 V C 0.579 176.674 176.094 0.003 0.000 1.069 12 V CA 1.565 63.868 62.300 0.006 0.000 1.082 12 V CB -0.104 31.734 31.823 0.025 0.000 0.680 12 V HN 0.587 nan 8.190 nan 0.000 0.469 13 D N -1.411 118.983 120.400 -0.010 0.000 2.734 13 D HA 0.249 4.889 4.640 0.001 0.000 0.224 13 D C -1.172 175.111 176.300 -0.028 0.000 1.222 13 D CA -0.541 53.458 54.000 -0.002 0.000 0.761 13 D CB 1.358 42.174 40.800 0.027 0.000 1.569 13 D HN 0.052 nan 8.370 nan 0.000 0.477 14 K N 1.807 122.198 120.400 -0.015 0.000 2.339 14 K HA 0.599 4.920 4.320 0.001 0.000 0.264 14 K C -0.825 175.815 176.600 0.066 0.000 0.986 14 K CA -0.768 55.518 56.287 -0.002 0.000 0.866 14 K CB 2.148 34.648 32.500 0.000 0.000 1.103 14 K HN 0.114 nan 8.250 nan 0.000 0.441 15 V N 1.435 121.424 119.914 0.126 0.000 2.769 15 V HA 0.122 4.243 4.120 0.001 0.000 0.312 15 V C 1.028 177.262 176.094 0.233 0.000 1.058 15 V CA -0.263 62.129 62.300 0.152 0.000 0.952 15 V CB 1.864 33.758 31.823 0.119 0.000 1.019 15 V HN 0.863 nan 8.190 nan 0.000 0.445 16 S N 2.192 118.001 115.700 0.181 0.000 2.446 16 S HA 0.305 4.776 4.470 0.001 0.000 0.225 16 S C 0.473 175.240 174.600 0.279 0.000 1.016 16 S CA 0.738 59.045 58.200 0.178 0.000 0.943 16 S CB 0.048 63.308 63.200 0.101 0.000 0.786 16 S HN 1.184 nan 8.310 nan 0.000 0.508 17 A N 0.794 123.771 122.820 0.263 0.000 2.500 17 A HA 0.629 4.950 4.320 0.001 0.000 0.288 17 A C -1.323 176.264 177.584 0.006 0.000 1.045 17 A CA -0.721 51.439 52.037 0.205 0.000 0.830 17 A CB 0.706 19.782 19.000 0.127 0.000 1.337 17 A HN 0.338 nan 8.150 nan 0.000 0.400 18 L N 0.840 121.921 121.223 -0.236 0.000 2.341 18 L HA 0.812 5.153 4.340 0.001 0.000 0.267 18 L C 0.290 177.041 176.870 -0.198 0.000 1.009 18 L CA -0.752 53.933 54.840 -0.258 0.000 0.819 18 L CB 2.540 44.350 42.059 -0.415 0.000 1.323 18 L HN 0.548 nan 8.230 nan 0.000 0.425 19 S N 1.346 116.977 115.700 -0.115 0.000 2.279 19 S HA 0.344 4.814 4.470 0.001 0.000 0.176 19 S C -1.033 173.534 174.600 -0.055 0.000 1.554 19 S CA -0.677 57.480 58.200 -0.072 0.000 1.242 19 S CB 0.337 63.517 63.200 -0.034 0.000 1.163 19 S HN 0.697 nan 8.310 nan 0.000 0.449 20 E N 0.155 120.318 120.200 -0.061 0.000 2.430 20 E HA 0.475 4.825 4.350 0.001 0.000 0.279 20 E C -1.468 175.127 176.600 -0.008 0.000 1.003 20 E CA -1.106 55.274 56.400 -0.033 0.000 0.801 20 E CB 1.075 30.748 29.700 -0.044 0.000 1.313 20 E HN 0.117 nan 8.360 nan 0.000 0.459 21 V N 1.503 121.427 119.914 0.017 0.000 2.372 21 V HA 0.261 4.382 4.120 0.001 0.000 0.261 21 V C -2.172 173.935 176.094 0.021 0.000 1.055 21 V CA -1.594 60.734 62.300 0.048 0.000 0.930 21 V CB -0.072 31.796 31.823 0.074 0.000 1.031 21 V HN 0.566 nan 8.190 nan 0.000 0.479 22 P HA -0.025 nan 4.420 nan 0.000 0.261 22 P C 0.929 178.259 177.300 0.050 0.000 1.173 22 P CA 0.314 63.444 63.100 0.050 0.000 0.760 22 P CB 0.510 32.268 31.700 0.096 0.000 0.783 23 M N 3.839 123.407 119.600 -0.053 0.000 2.144 23 M HA -0.160 4.321 4.480 0.001 0.000 0.260 23 M C 1.957 178.280 176.300 0.039 0.000 1.067 23 M CA 2.638 57.827 55.300 -0.184 0.000 1.095 23 M CB -0.949 31.262 32.600 -0.648 0.000 1.365 23 M HN 0.482 nan 8.290 nan 0.000 0.406 24 G N -0.093 108.906 108.800 0.331 0.000 2.574 24 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 24 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 24 G C 1.312 176.409 174.900 0.329 0.000 1.173 24 G CA 1.538 46.923 45.100 0.475 0.000 0.772 24 G HN 0.426 nan 8.290 nan 0.000 0.585 25 V N 2.004 122.098 119.914 0.300 0.000 2.231 25 V HA -0.247 3.874 4.120 0.001 0.000 0.248 25 V C 2.788 178.926 176.094 0.075 0.000 1.054 25 V CA 2.559 64.981 62.300 0.203 0.000 1.015 25 V CB -0.605 31.322 31.823 0.174 0.000 0.638 25 V HN 0.782 nan 8.190 nan 0.000 0.444 26 E N 0.014 120.227 120.200 0.021 0.000 2.285 26 E HA -0.158 4.193 4.350 0.001 0.000 0.194 26 E C 2.177 178.766 176.600 -0.019 0.000 0.997 26 E CA 1.137 57.498 56.400 -0.065 0.000 0.845 26 E CB -0.231 29.415 29.700 -0.091 0.000 0.782 26 E HN 0.630 nan 8.360 nan 0.000 0.491 27 I N 0.730 121.338 120.570 0.063 0.000 2.394 27 I HA -0.175 3.996 4.170 0.001 0.000 0.251 27 I C 2.102 178.372 176.117 0.256 0.000 1.136 27 I CA 0.632 62.025 61.300 0.154 0.000 1.425 27 I CB 0.217 38.359 38.000 0.238 0.000 1.079 27 I HN 0.043 nan 8.210 nan 0.000 0.425 28 V N 1.177 121.186 119.914 0.158 0.000 3.573 28 V HA -0.024 4.097 4.120 0.001 0.000 0.270 28 V C 0.653 176.716 176.094 -0.051 0.000 1.221 28 V CA 0.975 63.268 62.300 -0.012 0.000 1.163 28 V CB -0.982 30.802 31.823 -0.066 0.000 0.847 28 V HN 0.647 nan 8.190 nan 0.000 0.468 29 E N -1.333 118.838 120.200 -0.048 0.000 2.596 29 E HA -0.264 4.087 4.350 0.001 0.000 0.272 29 E C 1.177 177.654 176.600 -0.206 0.000 1.039 29 E CA 0.452 56.784 56.400 -0.113 0.000 0.804 29 E CB -1.734 27.925 29.700 -0.069 0.000 1.373 29 E HN 0.663 nan 8.360 nan 0.000 0.404 30 A N -0.529 122.131 122.820 -0.268 0.000 1.968 30 A HA 0.008 4.329 4.320 0.001 0.000 0.217 30 A C -0.555 176.422 177.584 -1.013 0.000 1.169 30 A CA 1.277 53.065 52.037 -0.415 0.000 0.638 30 A CB -0.500 18.375 19.000 -0.209 0.000 0.812 30 A HN 0.204 nan 8.150 nan 0.000 0.446 31 P HA -0.147 nan 4.420 nan 0.000 0.210 31 P C 1.845 178.815 177.300 -0.551 0.000 1.191 31 P CA 2.165 64.506 63.100 -1.264 0.000 0.917 31 P CB -0.243 30.981 31.700 -0.794 0.000 0.778 32 A N -1.139 121.496 122.820 -0.309 0.000 2.077 32 A HA -0.275 4.046 4.320 0.001 0.000 0.227 32 A C 2.189 179.720 177.584 -0.088 0.000 1.316 32 A CA 2.625 54.572 52.037 -0.150 0.000 0.701 32 A CB -1.861 17.065 19.000 -0.124 0.000 0.829 32 A HN 0.243 nan 8.150 nan 0.000 0.512 33 V N -2.737 117.110 119.914 -0.112 0.000 3.477 33 V HA 0.041 4.161 4.120 0.001 0.000 0.297 33 V C 1.425 177.602 176.094 0.138 0.000 1.433 33 V CA -0.167 62.132 62.300 -0.003 0.000 1.052 33 V CB -0.277 31.535 31.823 -0.019 0.000 0.895 33 V HN 0.750 nan 8.190 nan 0.000 0.438 34 W N 0.748 122.052 121.300 0.007 0.000 2.436 34 W HA -0.021 4.639 4.660 -0.000 0.000 0.284 34 W C 2.412 178.935 176.519 0.008 0.000 1.225 34 W CA 1.039 58.389 57.345 0.008 0.000 1.271 34 W CB -0.560 28.905 29.460 0.008 0.000 1.114 34 W HN 0.262 nan 8.180 nan 0.000 0.559 35 R N 0.844 121.491 120.500 0.246 0.000 2.083 35 R HA -0.135 4.206 4.340 0.001 0.000 0.237 35 R C 2.227 178.586 176.300 0.098 0.000 1.137 35 R CA 2.349 58.531 56.100 0.137 0.000 0.951 35 R CB -0.678 29.681 30.300 0.099 0.000 0.851 35 R HN -0.059 nan 8.270 nan 0.000 0.434 36 A N -0.604 122.271 122.820 0.092 0.000 2.167 36 A HA -0.032 4.289 4.320 0.001 0.000 0.214 36 A C 1.702 179.327 177.584 0.069 0.000 1.151 36 A CA 1.250 53.325 52.037 0.065 0.000 0.735 36 A CB -0.100 18.929 19.000 0.047 0.000 0.802 36 A HN 0.546 nan 8.150 nan 0.000 0.467 37 S N -3.048 112.709 115.700 0.095 0.000 2.666 37 S HA 0.514 4.984 4.470 0.001 0.000 0.239 37 S C 0.818 175.461 174.600 0.071 0.000 1.031 37 S CA 0.994 59.247 58.200 0.088 0.000 1.015 37 S CB 0.114 63.386 63.200 0.119 0.000 0.981 37 S HN 1.927 nan 8.310 nan 0.000 0.547 38 A N 2.093 124.951 122.820 0.064 0.000 2.914 38 A HA -0.197 4.123 4.320 0.001 0.000 0.280 38 A C 0.956 178.526 177.584 -0.023 0.000 1.447 38 A CA 0.959 53.009 52.037 0.021 0.000 0.759 38 A CB -2.741 16.268 19.000 0.016 0.000 1.034 38 A HN 0.598 nan 8.150 nan 0.000 0.529 39 K N -3.085 117.296 120.400 -0.031 0.000 3.086 39 K HA -0.272 4.049 4.320 0.001 0.000 0.288 39 K C 1.371 177.911 176.600 -0.099 0.000 1.127 39 K CA 1.694 57.855 56.287 -0.209 0.000 0.854 39 K CB -1.752 30.486 32.500 -0.436 0.000 1.213 39 K HN 2.516 nan 8.250 nan 0.000 0.456 40 G N -1.316 107.480 108.800 -0.007 0.000 2.179 40 G HA2 -0.188 3.773 3.960 0.001 0.000 0.220 40 G HA3 -0.188 3.773 3.960 0.001 0.000 0.220 40 G C 0.232 175.136 174.900 0.007 0.000 0.990 40 G CA 0.244 45.355 45.100 0.018 0.000 0.646 40 G HN 0.800 nan 8.290 nan 0.000 0.517 41 A N -0.311 122.503 122.820 -0.009 0.000 2.555 41 A HA 0.586 4.907 4.320 0.001 0.000 0.233 41 A C 2.174 179.766 177.584 0.014 0.000 1.060 41 A CA 2.537 54.571 52.037 -0.004 0.000 0.759 41 A CB -0.058 18.935 19.000 -0.012 0.000 0.995 41 A HN 2.445 nan 8.150 nan 0.000 0.506 42 G N 0.103 108.916 108.800 0.021 0.000 2.420 42 G HA2 -0.203 3.758 3.960 0.001 0.000 0.221 42 G HA3 -0.203 3.758 3.960 0.001 0.000 0.221 42 G C 0.350 175.274 174.900 0.041 0.000 1.117 42 G CA 0.387 45.505 45.100 0.030 0.000 0.657 42 G HN 0.908 nan 8.290 nan 0.000 0.512 43 Q N 0.639 120.462 119.800 0.038 0.000 2.299 43 Q HA 0.681 5.022 4.340 0.001 0.000 0.246 43 Q C 0.269 176.301 176.000 0.053 0.000 0.935 43 Q CA 0.052 55.882 55.803 0.045 0.000 0.887 43 Q CB 1.241 30.003 28.738 0.039 0.000 1.223 43 Q HN 0.645 nan 8.270 nan 0.000 0.439 44 I N 2.827 123.436 120.570 0.065 0.000 2.410 44 I HA 0.293 4.464 4.170 0.001 0.000 0.286 44 I C -0.526 175.618 176.117 0.045 0.000 1.009 44 I CA -0.847 60.493 61.300 0.066 0.000 1.111 44 I CB 1.192 39.260 38.000 0.114 0.000 1.262 44 I HN 0.333 nan 8.210 nan 0.000 0.443 45 I N 5.200 125.786 120.570 0.028 0.000 2.371 45 I HA 0.344 4.515 4.170 0.001 0.000 0.290 45 I C 1.003 177.131 176.117 0.019 0.000 1.028 45 I CA 0.199 61.511 61.300 0.021 0.000 1.345 45 I CB 1.135 39.139 38.000 0.007 0.000 1.407 45 I HN 0.618 nan 8.210 nan 0.000 0.501 46 G N 5.976 114.794 108.800 0.030 0.000 2.327 46 G HA2 0.470 4.430 3.960 0.001 0.000 0.302 46 G HA3 0.470 4.430 3.960 0.001 0.000 0.302 46 G C -0.420 174.492 174.900 0.020 0.000 1.113 46 G CA -0.359 44.770 45.100 0.048 0.000 0.921 46 G HN 0.401 nan 8.290 nan 0.000 0.425 47 V N 5.105 125.007 119.914 -0.022 0.000 2.322 47 V HA 0.172 4.293 4.120 0.001 0.000 0.258 47 V C 0.363 176.430 176.094 -0.045 0.000 1.074 47 V CA -0.397 61.875 62.300 -0.047 0.000 0.909 47 V CB 0.280 32.052 31.823 -0.086 0.000 1.090 47 V HN 0.606 nan 8.190 nan 0.000 0.486 48 I N 4.876 125.443 120.570 -0.004 0.000 2.278 48 I HA 0.336 4.507 4.170 0.001 0.000 0.296 48 I C 0.372 176.508 176.117 0.030 0.000 1.121 48 I CA 0.681 61.990 61.300 0.015 0.000 1.267 48 I CB 0.327 38.360 38.000 0.055 0.000 1.447 48 I HN 0.653 nan 8.210 nan 0.000 0.509 49 D N 1.827 122.238 120.400 0.019 0.000 4.591 49 D HA 0.164 4.804 4.640 0.001 0.000 0.282 49 D C 0.808 177.153 176.300 0.075 0.000 1.735 49 D CA 0.046 54.077 54.000 0.052 0.000 1.015 49 D CB 0.903 41.693 40.800 -0.016 0.000 1.533 49 D HN 0.305 nan 8.370 nan 0.000 0.666 50 T N -1.023 113.577 114.554 0.077 0.000 3.174 50 T HA 0.596 4.947 4.350 0.001 0.000 0.269 50 T C 0.844 175.585 174.700 0.068 0.000 1.017 50 T CA 0.685 62.838 62.100 0.088 0.000 0.899 50 T CB 0.036 68.978 68.868 0.124 0.000 1.077 50 T HN 0.799 nan 8.240 nan 0.000 0.552 51 G N -0.188 108.642 108.800 0.049 0.000 2.548 51 G HA2 0.051 4.012 3.960 0.001 0.000 0.208 51 G HA3 0.051 4.012 3.960 0.001 0.000 0.208 51 G C -0.599 174.340 174.900 0.066 0.000 1.308 51 G CA -0.570 44.584 45.100 0.090 0.000 0.924 51 G HN 0.911 nan 8.290 nan 0.000 0.540 52 C N -1.415 117.948 119.300 0.105 0.000 3.288 52 C HA 0.665 5.126 4.460 0.001 0.000 0.318 52 C C 0.047 175.053 174.990 0.026 0.000 1.356 52 C CA -0.459 58.586 59.018 0.045 0.000 1.359 52 C CB 1.831 29.597 27.740 0.043 0.000 1.688 52 C HN 0.852 nan 8.230 nan 0.000 0.467 53 Q N 2.073 121.880 119.800 0.012 0.000 3.184 53 Q HA 0.104 4.445 4.340 0.001 0.000 0.288 53 Q C 1.249 177.274 176.000 0.041 0.000 1.412 53 Q CA 0.196 56.019 55.803 0.033 0.000 0.991 53 Q CB 0.484 29.302 28.738 0.133 0.000 1.688 53 Q HN 0.765 nan 8.270 nan 0.000 0.554 54 V N 1.552 121.470 119.914 0.007 0.000 2.352 54 V HA -0.349 3.772 4.120 0.001 0.000 0.263 54 V C 1.720 177.824 176.094 0.017 0.000 1.103 54 V CA 2.660 64.967 62.300 0.012 0.000 1.099 54 V CB -0.257 31.524 31.823 -0.071 0.000 0.685 54 V HN 0.719 nan 8.190 nan 0.000 0.455 55 D N -3.033 117.371 120.400 0.006 0.000 2.379 55 D HA -0.056 4.585 4.640 0.001 0.000 0.208 55 D C 0.946 177.266 176.300 0.034 0.000 1.065 55 D CA -0.364 53.639 54.000 0.005 0.000 0.848 55 D CB -0.478 40.302 40.800 -0.033 0.000 0.949 55 D HN 0.541 nan 8.370 nan 0.000 0.509 56 H N 3.307 122.346 119.070 -0.052 0.000 3.209 56 H HA -0.058 4.498 4.556 0.001 0.000 0.297 56 H C -1.117 174.193 175.328 -0.030 0.000 0.936 56 H CA -0.192 55.821 56.048 -0.058 0.000 1.392 56 H CB 1.192 30.915 29.762 -0.064 0.000 1.349 56 H HN -0.009 nan 8.280 nan 0.000 0.568 57 P HA -0.174 nan 4.420 nan 0.000 0.218 57 P C 0.743 178.129 177.300 0.143 0.000 1.146 57 P CA 1.284 64.427 63.100 0.072 0.000 0.813 57 P CB 0.415 32.129 31.700 0.022 0.000 0.778 58 D N -1.270 119.289 120.400 0.265 0.000 2.333 58 D HA 0.079 4.719 4.640 0.001 0.000 0.208 58 D C 2.012 178.361 176.300 0.081 0.000 0.984 58 D CA 0.670 54.773 54.000 0.172 0.000 0.873 58 D CB 0.320 41.243 40.800 0.206 0.000 0.935 58 D HN 0.273 nan 8.370 nan 0.000 0.521 59 L N 0.317 121.588 121.223 0.079 0.000 2.453 59 L HA 0.225 4.566 4.340 0.001 0.000 0.190 59 L C 2.577 179.462 176.870 0.025 0.000 1.093 59 L CA 0.418 55.267 54.840 0.014 0.000 0.834 59 L CB -0.753 41.282 42.059 -0.040 0.000 1.090 59 L HN -0.176 nan 8.230 nan 0.000 0.489 60 A N 1.541 124.387 122.820 0.044 0.000 2.030 60 A HA -0.331 3.990 4.320 0.001 0.000 0.226 60 A C 2.064 179.663 177.584 0.025 0.000 1.282 60 A CA 2.715 54.772 52.037 0.033 0.000 0.691 60 A CB -0.923 18.095 19.000 0.030 0.000 0.829 60 A HN 0.717 nan 8.150 nan 0.000 0.497 61 E N -1.745 118.467 120.200 0.021 0.000 2.489 61 E HA -0.019 4.332 4.350 0.001 0.000 0.193 61 E C 0.944 177.551 176.600 0.011 0.000 1.057 61 E CA -0.012 56.397 56.400 0.016 0.000 0.866 61 E CB 0.037 29.743 29.700 0.010 0.000 0.916 61 E HN 0.544 nan 8.360 nan 0.000 0.500 62 R N 0.843 121.347 120.500 0.006 0.000 2.509 62 R HA 0.411 4.752 4.340 0.001 0.000 0.300 62 R C 0.099 176.399 176.300 -0.000 0.000 0.985 62 R CA -0.012 56.087 56.100 -0.003 0.000 1.092 62 R CB 0.703 30.992 30.300 -0.018 0.000 1.237 62 R HN 0.214 nan 8.270 nan 0.000 0.546 63 I N 1.235 121.811 120.570 0.011 0.000 2.545 63 I HA 0.313 4.483 4.170 0.001 0.000 0.292 63 I C 0.982 177.117 176.117 0.030 0.000 1.040 63 I CA -0.633 60.668 61.300 0.003 0.000 1.068 63 I CB 2.264 40.271 38.000 0.011 0.000 1.251 63 I HN -0.059 nan 8.210 nan 0.000 0.424 64 I N 1.640 122.222 120.570 0.019 0.000 4.225 64 I HA 0.728 4.899 4.170 0.001 0.000 0.327 64 I C 0.398 176.569 176.117 0.090 0.000 1.422 64 I CA -0.239 61.113 61.300 0.087 0.000 1.150 64 I CB 0.928 39.013 38.000 0.142 0.000 1.192 64 I HN 0.697 nan 8.210 nan 0.000 0.440 65 G N -0.028 108.733 108.800 -0.065 0.000 2.353 65 G HA2 0.423 4.384 3.960 0.001 0.000 0.424 65 G HA3 0.423 4.384 3.960 0.001 0.000 0.424 65 G C -0.679 173.482 174.900 -1.231 0.000 1.320 65 G CA -0.262 44.718 45.100 -0.200 0.000 0.995 65 G HN 0.848 nan 8.290 nan 0.000 0.580 66 G N -2.372 105.421 108.800 -1.678 0.000 2.341 66 G HA2 0.817 4.778 3.960 0.001 0.000 0.299 66 G HA3 0.817 4.778 3.960 0.001 0.000 0.299 66 G C -1.607 172.516 174.900 -1.295 0.000 1.274 66 G CA 0.773 44.318 45.100 -2.592 0.000 0.853 66 G HN 2.000 nan 8.290 nan 0.000 0.493 67 V N -0.305 119.025 119.914 -0.972 0.000 3.253 67 V HA 0.774 4.895 4.120 0.001 0.000 0.300 67 V C -1.601 174.383 176.094 -0.184 0.000 1.398 67 V CA -0.958 61.126 62.300 -0.360 0.000 1.067 67 V CB 2.436 33.907 31.823 -0.588 0.000 1.102 67 V HN 0.910 nan 8.190 nan 0.000 0.455 68 N N 2.644 121.282 118.700 -0.104 0.000 2.609 68 N HA 0.284 5.025 4.740 0.001 0.000 0.268 68 N C -0.544 174.846 175.510 -0.200 0.000 1.106 68 N CA -0.330 52.662 53.050 -0.097 0.000 0.823 68 N CB 1.488 39.975 38.487 -0.000 0.000 1.263 68 N HN 0.450 nan 8.380 nan 0.000 0.533 69 L N 1.306 122.376 121.223 -0.255 0.000 2.612 69 L HA 0.228 4.569 4.340 0.001 0.000 0.230 69 L C 1.210 177.628 176.870 -0.753 0.000 1.140 69 L CA 0.556 55.184 54.840 -0.353 0.000 0.896 69 L CB -0.598 41.336 42.059 -0.209 0.000 1.065 69 L HN 0.397 nan 8.230 nan 0.000 0.447 70 T N -1.334 112.805 114.554 -0.692 0.000 2.928 70 T HA 0.210 4.560 4.350 0.001 0.000 0.284 70 T C 1.443 175.690 174.700 -0.754 0.000 1.008 70 T CA -0.010 61.480 62.100 -1.016 0.000 1.057 70 T CB 1.178 69.797 68.868 -0.416 0.000 1.018 70 T HN 0.386 nan 8.240 nan 0.000 0.493 71 T N 1.014 115.142 114.554 -0.711 0.000 3.051 71 T HA 0.008 4.359 4.350 0.001 0.000 0.269 71 T C 0.617 175.181 174.700 -0.226 0.000 1.127 71 T CA 0.041 61.955 62.100 -0.310 0.000 1.107 71 T CB -0.193 68.625 68.868 -0.084 0.000 0.898 71 T HN 0.479 nan 8.240 nan 0.000 0.517 72 D N 1.465 121.677 120.400 -0.314 0.000 2.449 72 D HA 0.030 4.671 4.640 0.001 0.000 0.236 72 D C 0.683 176.705 176.300 -0.464 0.000 1.149 72 D CA 0.228 53.962 54.000 -0.443 0.000 0.878 72 D CB 0.252 40.625 40.800 -0.712 0.000 1.198 72 D HN 0.402 nan 8.370 nan 0.000 0.446 73 Y N -0.870 119.409 120.300 -0.034 0.000 3.651 73 Y HA -0.382 4.168 4.550 0.001 0.000 0.418 73 Y C 1.488 177.364 175.900 -0.041 0.000 1.085 73 Y CA 1.453 59.529 58.100 -0.039 0.000 2.515 73 Y CB -1.735 36.693 38.460 -0.053 0.000 0.884 73 Y HN 0.517 nan 8.280 nan 0.000 0.517 74 G N -1.623 107.207 108.800 0.049 0.000 2.861 74 G HA2 0.483 4.443 3.960 0.001 0.000 0.160 74 G HA3 0.483 4.443 3.960 0.001 0.000 0.160 74 G C 0.512 175.392 174.900 -0.033 0.000 1.570 74 G CA 0.066 45.176 45.100 0.016 0.000 0.925 74 G HN 0.788 nan 8.290 nan 0.000 0.754 75 G N 1.278 110.036 108.800 -0.071 0.000 2.571 75 G HA2 0.422 4.383 3.960 0.001 0.000 0.327 75 G HA3 0.422 4.383 3.960 0.001 0.000 0.327 75 G C -0.907 173.969 174.900 -0.041 0.000 1.008 75 G CA -0.123 44.924 45.100 -0.087 0.000 1.136 75 G HN 0.294 nan 8.290 nan 0.000 0.444 76 D N 2.847 123.252 120.400 0.007 0.000 2.383 76 D HA -0.063 4.577 4.640 0.001 0.000 0.275 76 D C 1.785 178.097 176.300 0.021 0.000 1.344 76 D CA -0.077 53.934 54.000 0.019 0.000 0.984 76 D CB 0.514 41.331 40.800 0.028 0.000 1.104 76 D HN 0.693 nan 8.370 nan 0.000 0.524 77 E N 1.361 121.569 120.200 0.013 0.000 2.197 77 E HA -0.338 4.013 4.350 0.001 0.000 0.205 77 E C 1.178 177.823 176.600 0.076 0.000 1.029 77 E CA 1.944 58.363 56.400 0.031 0.000 0.828 77 E CB -0.790 28.942 29.700 0.054 0.000 0.737 77 E HN 0.552 nan 8.360 nan 0.000 0.464 78 T N -1.680 112.911 114.554 0.063 0.000 3.148 78 T HA 0.044 4.394 4.350 0.001 0.000 0.253 78 T C 0.497 175.167 174.700 -0.050 0.000 1.134 78 T CA -0.111 62.029 62.100 0.066 0.000 1.051 78 T CB -0.081 68.808 68.868 0.036 0.000 0.959 78 T HN 0.042 nan 8.240 nan 0.000 0.525 79 N N 0.838 119.513 118.700 -0.042 0.000 2.617 79 N HA 0.286 5.027 4.740 0.001 0.000 0.263 79 N C -0.858 174.634 175.510 -0.031 0.000 1.074 79 N CA -0.506 52.425 53.050 -0.198 0.000 0.841 79 N CB 1.006 39.400 38.487 -0.156 0.000 1.221 79 N HN 0.374 nan 8.380 nan 0.000 0.529 80 F N 0.394 120.336 119.950 -0.014 0.000 2.683 80 F HA 0.335 4.863 4.527 0.001 0.000 0.306 80 F C 0.899 176.703 175.800 0.006 0.000 1.102 80 F CA -0.864 57.125 58.000 -0.019 0.000 1.244 80 F CB -0.655 38.252 39.000 -0.155 0.000 1.029 80 F HN 0.072 nan 8.300 nan 0.000 0.545 81 S N 0.864 116.457 115.700 -0.179 0.000 2.546 81 S HA -0.057 4.414 4.470 0.001 0.000 0.290 81 S C 0.083 174.723 174.600 0.067 0.000 1.262 81 S CA -0.614 57.516 58.200 -0.115 0.000 1.083 81 S CB 0.129 63.176 63.200 -0.256 0.000 0.859 81 S HN 0.333 nan 8.310 nan 0.000 0.495 82 D N 2.005 122.448 120.400 0.071 0.000 2.629 82 D HA -0.117 4.524 4.640 0.001 0.000 0.228 82 D C 0.920 177.283 176.300 0.106 0.000 1.127 82 D CA 0.571 54.621 54.000 0.084 0.000 0.855 82 D CB 0.161 40.969 40.800 0.014 0.000 1.180 82 D HN 0.865 nan 8.370 nan 0.000 0.484 83 N N 2.237 121.018 118.700 0.135 0.000 2.291 83 N HA 0.006 4.747 4.740 0.001 0.000 0.244 83 N C 0.228 175.775 175.510 0.062 0.000 1.216 83 N CA -0.531 52.594 53.050 0.124 0.000 0.879 83 N CB 0.473 39.092 38.487 0.220 0.000 1.167 83 N HN 0.208 nan 8.380 nan 0.000 0.515 84 N N 0.542 119.258 118.700 0.027 0.000 2.575 84 N HA 0.085 4.826 4.740 0.001 0.000 0.258 84 N C 1.049 176.517 175.510 -0.070 0.000 1.019 84 N CA 1.726 54.797 53.050 0.036 0.000 0.909 84 N CB 0.784 39.334 38.487 0.105 0.000 1.728 84 N HN 0.320 nan 8.380 nan 0.000 0.604 85 G N 0.165 108.877 108.800 -0.147 0.000 2.211 85 G HA2 -0.206 3.755 3.960 0.001 0.000 0.201 85 G HA3 -0.206 3.755 3.960 0.001 0.000 0.201 85 G C 0.695 175.624 174.900 0.049 0.000 0.997 85 G CA 0.475 45.283 45.100 -0.487 0.000 0.652 85 G HN 0.557 nan 8.290 nan 0.000 0.500 86 H N 0.442 119.550 119.070 0.062 0.000 2.294 86 H HA 0.027 4.584 4.556 0.002 0.000 0.306 86 H C 2.877 178.242 175.328 0.060 0.000 1.065 86 H CA 1.578 57.681 56.048 0.092 0.000 1.343 86 H CB -0.280 29.534 29.762 0.088 0.000 1.396 86 H HN 0.342 nan 8.280 nan 0.000 0.506 87 G N 0.036 108.843 108.800 0.013 0.000 2.556 87 G HA2 -0.371 3.590 3.960 0.001 0.000 0.220 87 G HA3 -0.371 3.590 3.960 0.001 0.000 0.220 87 G C 1.661 176.513 174.900 -0.079 0.000 1.156 87 G CA 1.856 46.914 45.100 -0.069 0.000 0.766 87 G HN 0.435 nan 8.290 nan 0.000 0.583 88 T N -0.139 114.387 114.554 -0.047 0.000 2.595 88 T HA -0.207 4.144 4.350 0.001 0.000 0.264 88 T C 2.000 176.672 174.700 -0.046 0.000 1.058 88 T CA 1.712 63.765 62.100 -0.080 0.000 1.166 88 T CB -0.611 68.199 68.868 -0.097 0.000 0.863 88 T HN 0.559 nan 8.240 nan 0.000 0.415 89 H N 0.650 119.718 119.070 -0.003 0.000 2.353 89 H HA -0.085 4.472 4.556 0.002 0.000 0.298 89 H C 2.077 177.367 175.328 -0.063 0.000 1.103 89 H CA 1.754 57.836 56.048 0.056 0.000 1.293 89 H CB -0.489 29.384 29.762 0.186 0.000 1.372 89 H HN 0.118 nan 8.280 nan 0.000 0.501 90 V N 0.425 120.321 119.914 -0.029 0.000 2.307 90 V HA -0.250 3.871 4.120 0.001 0.000 0.245 90 V C 2.701 178.709 176.094 -0.144 0.000 1.045 90 V CA 1.660 63.877 62.300 -0.140 0.000 1.024 90 V CB -1.159 30.496 31.823 -0.279 0.000 0.651 90 V HN 0.706 nan 8.190 nan 0.000 0.449 91 A N 0.319 123.058 122.820 -0.135 0.000 2.024 91 A HA -0.108 4.213 4.320 0.001 0.000 0.220 91 A C 2.323 179.829 177.584 -0.130 0.000 1.164 91 A CA 1.911 53.874 52.037 -0.122 0.000 0.643 91 A CB -0.985 17.946 19.000 -0.115 0.000 0.806 91 A HN 0.560 nan 8.150 nan 0.000 0.451 92 G N -1.745 106.957 108.800 -0.162 0.000 2.430 92 G HA2 -0.018 3.943 3.960 0.001 0.000 0.216 92 G HA3 -0.018 3.943 3.960 0.001 0.000 0.216 92 G C 1.496 176.307 174.900 -0.148 0.000 1.146 92 G CA 1.406 46.410 45.100 -0.161 0.000 0.793 92 G HN 0.419 nan 8.290 nan 0.000 0.537 93 T N 0.756 115.192 114.554 -0.196 0.000 2.812 93 T HA -0.053 4.298 4.350 0.001 0.000 0.264 93 T C 2.591 177.189 174.700 -0.170 0.000 1.042 93 T CA 1.083 63.045 62.100 -0.229 0.000 1.140 93 T CB -0.090 68.581 68.868 -0.329 0.000 0.870 93 T HN 0.054 nan 8.240 nan 0.000 0.445 94 V N 0.941 120.776 119.914 -0.131 0.000 2.270 94 V HA 0.106 4.227 4.120 0.001 0.000 0.245 94 V C 1.638 177.708 176.094 -0.039 0.000 1.043 94 V CA 1.538 63.794 62.300 -0.073 0.000 1.014 94 V CB -0.478 31.309 31.823 -0.059 0.000 0.645 94 V HN 0.512 nan 8.190 nan 0.000 0.447 95 A N -0.736 122.052 122.820 -0.052 0.000 3.234 95 A HA 0.747 5.068 4.320 0.001 0.000 0.247 95 A C 0.121 177.676 177.584 -0.048 0.000 0.938 95 A CA 0.239 52.251 52.037 -0.042 0.000 1.039 95 A CB -0.048 18.930 19.000 -0.038 0.000 1.197 95 A HN 0.434 nan 8.150 nan 0.000 0.498 96 A N 0.645 123.441 122.820 -0.041 0.000 2.401 96 A HA 0.726 5.047 4.320 0.001 0.000 0.259 96 A C 0.789 178.354 177.584 -0.032 0.000 1.103 96 A CA 0.466 52.489 52.037 -0.025 0.000 0.789 96 A CB 0.216 19.215 19.000 -0.002 0.000 1.035 96 A HN 1.704 nan 8.150 nan 0.000 0.491 97 A N 1.729 124.533 122.820 -0.026 0.000 2.246 97 A HA 0.554 4.875 4.320 0.001 0.000 0.291 97 A C 0.288 177.843 177.584 -0.049 0.000 1.103 97 A CA -0.480 51.523 52.037 -0.056 0.000 0.844 97 A CB 0.278 19.254 19.000 -0.040 0.000 1.136 97 A HN 0.815 nan 8.150 nan 0.000 0.500 98 E N 0.442 120.593 120.200 -0.080 0.000 2.368 98 E HA 0.093 4.444 4.350 0.001 0.000 0.283 98 E C 0.637 177.221 176.600 -0.027 0.000 1.476 98 E CA 0.278 56.640 56.400 -0.064 0.000 1.786 98 E CB -0.273 29.359 29.700 -0.112 0.000 1.518 98 E HN 0.790 nan 8.360 nan 0.000 0.456 99 T N -2.151 112.400 114.554 -0.004 0.000 3.118 99 T HA -0.088 4.263 4.350 0.001 0.000 0.269 99 T C 1.601 176.308 174.700 0.012 0.000 1.166 99 T CA 0.453 62.559 62.100 0.010 0.000 1.073 99 T CB -0.236 68.652 68.868 0.033 0.000 0.884 99 T HN 0.421 nan 8.240 nan 0.000 0.550 100 G N -0.359 108.446 108.800 0.009 0.000 2.176 100 G HA2 -0.168 3.793 3.960 0.001 0.000 0.252 100 G HA3 -0.168 3.793 3.960 0.001 0.000 0.252 100 G C 0.090 175.000 174.900 0.016 0.000 1.024 100 G CA 0.153 45.261 45.100 0.012 0.000 0.755 100 G HN 0.867 nan 8.290 nan 0.000 0.507 101 S N -2.327 113.386 115.700 0.021 0.000 2.596 101 S HA 0.810 5.281 4.470 0.001 0.000 0.270 101 S C 1.131 175.744 174.600 0.022 0.000 1.155 101 S CA 0.820 59.036 58.200 0.026 0.000 0.827 101 S CB 1.383 64.613 63.200 0.051 0.000 1.130 101 S HN 2.088 nan 8.310 nan 0.000 0.467 102 G N 1.000 109.793 108.800 -0.013 0.000 2.672 102 G HA2 -0.228 3.733 3.960 0.001 0.000 0.332 102 G HA3 -0.228 3.733 3.960 0.001 0.000 0.332 102 G C 0.156 174.968 174.900 -0.146 0.000 1.213 102 G CA 0.706 45.737 45.100 -0.115 0.000 0.980 102 G HN 1.586 nan 8.290 nan 0.000 0.548 103 V N -0.392 119.503 119.914 -0.033 0.000 3.040 103 V HA 0.819 4.939 4.120 0.001 0.000 0.312 103 V C -0.740 175.373 176.094 0.031 0.000 1.115 103 V CA 0.234 62.523 62.300 -0.019 0.000 0.998 103 V CB 1.991 33.806 31.823 -0.012 0.000 1.042 103 V HN 2.137 nan 8.190 nan 0.000 0.433 104 V N 4.404 124.343 119.914 0.042 0.000 2.711 104 V HA 0.940 5.061 4.120 0.001 0.000 0.304 104 V C 0.067 176.218 176.094 0.095 0.000 1.097 104 V CA 0.572 62.904 62.300 0.052 0.000 0.906 104 V CB 1.488 33.346 31.823 0.059 0.000 1.015 104 V HN 1.340 nan 8.190 nan 0.000 0.427 105 G N 3.517 112.353 108.800 0.059 0.000 2.537 105 G HA2 0.457 4.418 3.960 0.001 0.000 0.297 105 G HA3 0.457 4.418 3.960 0.001 0.000 0.297 105 G C 0.864 175.874 174.900 0.184 0.000 1.310 105 G CA 0.113 45.256 45.100 0.072 0.000 1.027 105 G HN 1.034 nan 8.290 nan 0.000 0.505 106 V N 0.412 120.425 119.914 0.166 0.000 2.380 106 V HA -0.054 4.066 4.120 0.001 0.000 0.251 106 V C 2.031 178.313 176.094 0.312 0.000 1.063 106 V CA 2.274 64.734 62.300 0.267 0.000 1.055 106 V CB -0.665 31.252 31.823 0.158 0.000 0.657 106 V HN 0.817 nan 8.190 nan 0.000 0.455 107 A N 0.206 123.104 122.820 0.130 0.000 3.165 107 A HA 0.504 4.825 4.320 0.001 0.000 0.331 107 A C -1.341 176.208 177.584 -0.058 0.000 1.034 107 A CA -0.961 51.106 52.037 0.051 0.000 0.906 107 A CB 0.153 19.182 19.000 0.048 0.000 1.054 107 A HN 0.351 nan 8.150 nan 0.000 0.484 108 P HA -0.099 nan 4.420 nan 0.000 0.240 108 P C 0.526 177.721 177.300 -0.175 0.000 1.186 108 P CA 1.163 64.143 63.100 -0.200 0.000 0.755 108 P CB 0.311 31.780 31.700 -0.385 0.000 0.870 109 K N -1.253 119.060 120.400 -0.144 0.000 2.502 109 K HA 0.325 4.646 4.320 0.001 0.000 0.211 109 K C 0.653 177.225 176.600 -0.045 0.000 1.259 109 K CA 0.053 56.281 56.287 -0.098 0.000 0.983 109 K CB 0.361 32.794 32.500 -0.112 0.000 1.054 109 K HN -0.056 nan 8.250 nan 0.000 0.572 110 A N 1.468 124.270 122.820 -0.031 0.000 2.462 110 A HA 0.150 4.470 4.320 0.001 0.000 0.243 110 A C -0.386 177.197 177.584 -0.002 0.000 1.076 110 A CA -0.068 51.967 52.037 -0.003 0.000 0.773 110 A CB 0.058 19.064 19.000 0.009 0.000 1.010 110 A HN 0.203 nan 8.150 nan 0.000 0.493 111 D N 0.294 120.704 120.400 0.017 0.000 2.371 111 D HA 0.443 5.084 4.640 0.001 0.000 0.242 111 D C -0.303 176.001 176.300 0.008 0.000 1.218 111 D CA 0.480 54.492 54.000 0.020 0.000 0.945 111 D CB 0.790 41.621 40.800 0.051 0.000 1.137 111 D HN 0.395 nan 8.370 nan 0.000 0.464 112 L N 0.532 121.750 121.223 -0.009 0.000 2.381 112 L HA 0.443 4.783 4.340 0.001 0.000 0.268 112 L C -0.790 176.047 176.870 -0.054 0.000 0.997 112 L CA -0.952 53.868 54.840 -0.034 0.000 0.818 112 L CB 1.812 43.833 42.059 -0.063 0.000 1.310 112 L HN 0.209 nan 8.230 nan 0.000 0.416 113 F N 3.833 123.615 119.950 -0.280 0.000 2.449 113 F HA 0.560 5.088 4.527 0.001 0.000 0.342 113 F C -0.374 175.182 175.800 -0.407 0.000 1.127 113 F CA -0.720 57.012 58.000 -0.447 0.000 0.975 113 F CB 1.078 39.728 39.000 -0.583 0.000 1.146 113 F HN 0.121 nan 8.300 nan 0.000 0.444 114 I N 7.276 127.316 120.570 -0.885 0.000 2.365 114 I HA 0.292 4.463 4.170 0.001 0.000 0.291 114 I C -0.375 175.263 176.117 -0.799 0.000 1.004 114 I CA -0.522 60.362 61.300 -0.693 0.000 1.311 114 I CB 1.014 38.640 38.000 -0.624 0.000 1.401 114 I HN 0.412 nan 8.210 nan 0.000 0.491 115 I N 6.183 126.520 120.570 -0.388 0.000 2.465 115 I HA 0.335 4.506 4.170 0.001 0.000 0.291 115 I C 0.090 176.116 176.117 -0.152 0.000 1.014 115 I CA -0.424 60.704 61.300 -0.286 0.000 1.093 115 I CB 1.717 39.639 38.000 -0.131 0.000 1.267 115 I HN 0.444 nan 8.210 nan 0.000 0.431 116 K N 5.309 125.635 120.400 -0.123 0.000 2.464 116 K HA 0.731 5.051 4.320 0.001 0.000 0.252 116 K C -0.106 176.479 176.600 -0.025 0.000 1.000 116 K CA -0.322 55.944 56.287 -0.034 0.000 0.951 116 K CB 1.254 33.755 32.500 0.001 0.000 1.183 116 K HN 0.782 nan 8.250 nan 0.000 0.445 117 A N 5.480 128.337 122.820 0.062 0.000 2.343 117 A HA 0.284 4.605 4.320 0.001 0.000 0.223 117 A C 0.030 177.812 177.584 0.329 0.000 1.214 117 A CA -0.244 51.903 52.037 0.183 0.000 0.900 117 A CB 0.241 19.360 19.000 0.198 0.000 0.942 117 A HN 0.597 nan 8.150 nan 0.000 0.507 118 L N 0.980 122.331 121.223 0.214 0.000 2.287 118 L HA 0.389 4.730 4.340 0.001 0.000 0.287 118 L C 0.207 177.183 176.870 0.177 0.000 1.022 118 L CA -0.484 54.494 54.840 0.229 0.000 0.814 118 L CB 1.680 43.855 42.059 0.193 0.000 1.217 118 L HN 0.036 nan 8.230 nan 0.000 0.420 119 S N 1.450 117.285 115.700 0.224 0.000 2.596 119 S HA 0.115 4.586 4.470 0.001 0.000 0.260 119 S C 1.362 176.014 174.600 0.087 0.000 1.336 119 S CA 0.181 58.460 58.200 0.131 0.000 0.993 119 S CB 1.418 64.732 63.200 0.191 0.000 0.923 119 S HN 0.882 nan 8.310 nan 0.000 0.567 120 G N 1.212 110.038 108.800 0.043 0.000 2.499 120 G HA2 -0.248 3.713 3.960 0.001 0.000 0.221 120 G HA3 -0.248 3.713 3.960 0.001 0.000 0.221 120 G C 0.978 175.920 174.900 0.069 0.000 1.109 120 G CA 1.176 46.310 45.100 0.056 0.000 0.749 120 G HN 0.852 nan 8.290 nan 0.000 0.568 121 D N -0.831 119.609 120.400 0.067 0.000 2.347 121 D HA 0.199 4.839 4.640 0.001 0.000 0.213 121 D C 1.779 178.122 176.300 0.072 0.000 0.985 121 D CA 1.216 55.252 54.000 0.060 0.000 0.879 121 D CB -0.358 40.471 40.800 0.049 0.000 0.919 121 D HN 0.550 nan 8.370 nan 0.000 0.526 122 G N 0.123 108.981 108.800 0.097 0.000 2.307 122 G HA2 -0.247 3.714 3.960 0.001 0.000 0.210 122 G HA3 -0.247 3.714 3.960 0.001 0.000 0.210 122 G C 0.426 175.407 174.900 0.135 0.000 1.005 122 G CA 0.316 45.489 45.100 0.122 0.000 0.634 122 G HN 0.839 nan 8.290 nan 0.000 0.496 123 S N 0.365 116.127 115.700 0.105 0.000 2.576 123 S HA 0.586 5.057 4.470 0.001 0.000 0.272 123 S C 0.452 175.095 174.600 0.073 0.000 1.352 123 S CA 1.117 59.361 58.200 0.073 0.000 1.021 123 S CB 1.569 64.780 63.200 0.019 0.000 0.887 123 S HN 2.006 nan 8.310 nan 0.000 0.542 124 G N 0.937 109.722 108.800 -0.025 0.000 2.718 124 G HA2 0.486 4.447 3.960 0.001 0.000 0.295 124 G HA3 0.486 4.447 3.960 0.001 0.000 0.295 124 G C -1.451 173.128 174.900 -0.535 0.000 1.421 124 G CA -0.893 44.069 45.100 -0.230 0.000 0.902 124 G HN 0.767 nan 8.290 nan 0.000 0.501 125 E N 0.553 119.972 120.200 -1.302 0.000 2.373 125 E HA 0.209 4.560 4.350 0.001 0.000 0.263 125 E C 1.542 177.719 176.600 -0.705 0.000 1.073 125 E CA -0.369 55.428 56.400 -1.005 0.000 0.894 125 E CB 1.446 30.339 29.700 -1.345 0.000 1.008 125 E HN 0.605 nan 8.360 nan 0.000 0.420 126 M N 0.985 120.213 119.600 -0.620 0.000 2.254 126 M HA 0.063 4.544 4.480 0.001 0.000 0.265 126 M C 1.686 177.780 176.300 -0.343 0.000 1.066 126 M CA 2.090 56.899 55.300 -0.818 0.000 1.123 126 M CB -0.491 31.533 32.600 -0.961 0.000 1.388 126 M HN 0.517 nan 8.290 nan 0.000 0.425 127 G N 0.069 108.771 108.800 -0.163 0.000 2.469 127 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 127 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 127 G C 0.905 175.921 174.900 0.194 0.000 1.136 127 G CA 1.036 46.162 45.100 0.043 0.000 0.759 127 G HN 0.661 nan 8.290 nan 0.000 0.562 128 W N 0.581 121.832 121.300 -0.082 0.000 2.374 128 W HA 0.145 4.806 4.660 0.001 0.000 0.288 128 W C 2.393 178.885 176.519 -0.045 0.000 1.218 128 W CA 0.043 57.358 57.345 -0.050 0.000 1.245 128 W CB -0.816 28.616 29.460 -0.047 0.000 1.126 128 W HN 0.226 nan 8.180 nan 0.000 0.545 129 I N -0.318 120.322 120.570 0.118 0.000 2.585 129 I HA -0.039 4.132 4.170 0.001 0.000 0.254 129 I C 2.508 178.667 176.117 0.071 0.000 1.129 129 I CA 1.053 62.393 61.300 0.066 0.000 1.455 129 I CB -0.928 37.060 38.000 -0.020 0.000 1.111 129 I HN -0.164 nan 8.210 nan 0.000 0.433 130 A N 0.876 123.718 122.820 0.036 0.000 1.972 130 A HA -0.167 4.154 4.320 0.001 0.000 0.219 130 A C 2.311 179.965 177.584 0.116 0.000 1.169 130 A CA 1.451 53.532 52.037 0.074 0.000 0.635 130 A CB -0.342 18.683 19.000 0.041 0.000 0.810 130 A HN 0.260 nan 8.150 nan 0.000 0.446 131 K N -0.493 119.985 120.400 0.130 0.000 2.103 131 K HA 0.032 4.353 4.320 0.001 0.000 0.204 131 K C 2.308 179.031 176.600 0.206 0.000 1.052 131 K CA 0.860 57.246 56.287 0.166 0.000 0.945 131 K CB -0.283 32.311 32.500 0.156 0.000 0.722 131 K HN 0.429 nan 8.250 nan 0.000 0.443 132 A N 1.465 124.379 122.820 0.157 0.000 1.948 132 A HA -0.187 4.134 4.320 0.001 0.000 0.220 132 A C 2.062 179.755 177.584 0.182 0.000 1.177 132 A CA 1.491 53.611 52.037 0.139 0.000 0.636 132 A CB -0.443 18.620 19.000 0.104 0.000 0.815 132 A HN 0.170 nan 8.150 nan 0.000 0.449 133 I N -1.509 119.166 120.570 0.175 0.000 2.368 133 I HA -0.134 4.036 4.170 0.001 0.000 0.238 133 I C 2.603 178.841 176.117 0.202 0.000 1.076 133 I CA 0.714 62.115 61.300 0.169 0.000 1.397 133 I CB -0.387 37.706 38.000 0.154 0.000 1.141 133 I HN 0.198 nan 8.210 nan 0.000 0.430 134 R N 0.120 120.760 120.500 0.233 0.000 2.159 134 R HA -0.301 4.040 4.340 0.001 0.000 0.252 134 R C 2.382 178.830 176.300 0.247 0.000 1.144 134 R CA 2.400 58.671 56.100 0.285 0.000 0.961 134 R CB -1.129 29.302 30.300 0.219 0.000 0.877 134 R HN 0.393 nan 8.270 nan 0.000 0.444 135 Y N 1.041 121.422 120.300 0.136 0.000 2.274 135 Y HA -0.248 4.303 4.550 0.001 0.000 0.290 135 Y C 2.449 178.413 175.900 0.107 0.000 1.145 135 Y CA 1.188 59.365 58.100 0.129 0.000 1.203 135 Y CB -0.094 38.443 38.460 0.129 0.000 0.984 135 Y HN 0.160 nan 8.280 nan 0.000 0.533 136 A N -0.632 122.377 122.820 0.315 0.000 1.858 136 A HA -0.198 4.123 4.320 0.001 0.000 0.216 136 A C 2.251 179.897 177.584 0.103 0.000 1.190 136 A CA 2.114 54.263 52.037 0.186 0.000 0.617 136 A CB -1.320 17.759 19.000 0.132 0.000 0.827 136 A HN 0.282 nan 8.150 nan 0.000 0.443 137 V N 0.677 120.632 119.914 0.068 0.000 2.282 137 V HA -0.272 3.849 4.120 0.001 0.000 0.249 137 V C 1.925 178.001 176.094 -0.030 0.000 1.057 137 V CA 2.461 64.740 62.300 -0.034 0.000 1.032 137 V CB -0.832 30.901 31.823 -0.150 0.000 0.645 137 V HN 0.510 nan 8.190 nan 0.000 0.447 138 D N -2.549 117.850 120.400 -0.002 0.000 2.301 138 D HA 0.011 4.652 4.640 0.001 0.000 0.206 138 D C 0.660 176.895 176.300 -0.107 0.000 0.979 138 D CA -0.209 53.758 54.000 -0.055 0.000 0.874 138 D CB -0.141 40.628 40.800 -0.051 0.000 0.968 138 D HN 0.585 nan 8.370 nan 0.000 0.510 139 W N 2.459 123.582 121.300 -0.295 0.000 2.343 139 W HA 0.107 4.768 4.660 0.001 0.000 0.337 139 W C -0.148 176.222 176.519 -0.248 0.000 1.320 139 W CA 0.173 57.322 57.345 -0.327 0.000 1.290 139 W CB 0.336 29.497 29.460 -0.498 0.000 1.206 139 W HN -0.334 nan 8.180 nan 0.000 0.565 140 R N 4.446 124.244 120.500 -1.171 0.000 2.628 140 R HA 0.505 4.846 4.340 0.001 0.000 0.288 140 R C 0.861 176.172 176.300 -1.648 0.000 0.980 140 R CA -0.081 55.270 56.100 -1.249 0.000 0.891 140 R CB 1.535 31.483 30.300 -0.587 0.000 1.188 140 R HN 0.640 nan 8.270 nan 0.000 0.450 141 G N 2.035 109.908 108.800 -1.546 0.000 3.048 141 G HA2 0.057 4.018 3.960 0.001 0.000 0.151 141 G HA3 0.057 4.018 3.960 0.001 0.000 0.151 141 G C -1.394 173.345 174.900 -0.269 0.000 1.803 141 G CA -0.086 44.572 45.100 -0.736 0.000 1.047 141 G HN 0.503 nan 8.290 nan 0.000 0.513 142 P HA 0.201 nan 4.420 nan 0.000 0.238 142 P C 1.059 178.317 177.300 -0.070 0.000 1.183 142 P CA 0.711 63.782 63.100 -0.047 0.000 0.813 142 P CB 0.453 32.166 31.700 0.022 0.000 0.944 143 K N -0.438 119.913 120.400 -0.082 0.000 2.397 143 K HA 0.311 4.632 4.320 0.001 0.000 0.202 143 K C 1.127 177.657 176.600 -0.117 0.000 1.022 143 K CA 0.519 56.762 56.287 -0.073 0.000 1.141 143 K CB -0.355 32.120 32.500 -0.040 0.000 0.857 143 K HN 0.144 nan 8.250 nan 0.000 0.514 144 G N 3.182 111.869 108.800 -0.188 0.000 2.180 144 G HA2 -0.322 3.639 3.960 0.001 0.000 0.263 144 G HA3 -0.322 3.639 3.960 0.001 0.000 0.263 144 G C 0.184 174.934 174.900 -0.251 0.000 0.989 144 G CA 0.844 45.802 45.100 -0.237 0.000 0.692 144 G HN 0.544 nan 8.290 nan 0.000 0.526 145 E N 0.169 120.233 120.200 -0.227 0.000 2.438 145 E HA 0.306 4.657 4.350 0.001 0.000 0.261 145 E C 0.086 176.569 176.600 -0.194 0.000 1.103 145 E CA 0.438 56.752 56.400 -0.144 0.000 0.959 145 E CB 0.732 30.410 29.700 -0.038 0.000 0.958 145 E HN 0.568 nan 8.360 nan 0.000 0.447 146 Q N 0.372 120.147 119.800 -0.042 0.000 2.495 146 Q HA 0.431 4.772 4.340 0.001 0.000 0.287 146 Q C -0.699 175.367 176.000 0.109 0.000 1.078 146 Q CA -0.880 54.927 55.803 0.006 0.000 0.793 146 Q CB 2.238 30.945 28.738 -0.052 0.000 1.459 146 Q HN 0.709 nan 8.270 nan 0.000 0.422 147 M N 0.207 119.884 119.600 0.128 0.000 2.363 147 M HA 0.544 5.024 4.480 0.001 0.000 0.343 147 M C -0.415 175.910 176.300 0.041 0.000 1.165 147 M CA -0.222 55.132 55.300 0.090 0.000 1.046 147 M CB 1.761 34.407 32.600 0.076 0.000 1.648 147 M HN 0.568 nan 8.290 nan 0.000 0.452 148 R N 2.176 122.697 120.500 0.036 0.000 2.513 148 R HA 0.475 4.816 4.340 0.001 0.000 0.245 148 R C -0.261 176.056 176.300 0.028 0.000 0.908 148 R CA 0.196 56.310 56.100 0.023 0.000 1.023 148 R CB 0.882 31.196 30.300 0.024 0.000 1.338 148 R HN 0.734 nan 8.270 nan 0.000 0.575 149 I N 1.439 122.031 120.570 0.035 0.000 2.608 149 I HA 0.442 4.612 4.170 0.001 0.000 0.295 149 I C -0.742 175.398 176.117 0.040 0.000 1.049 149 I CA -1.087 60.236 61.300 0.039 0.000 1.063 149 I CB 2.249 40.272 38.000 0.038 0.000 1.248 149 I HN -0.258 nan 8.210 nan 0.000 0.424 150 I N 2.997 123.594 120.570 0.045 0.000 2.686 150 I HA 0.515 4.686 4.170 0.001 0.000 0.295 150 I C -0.365 175.782 176.117 0.050 0.000 1.114 150 I CA -0.351 60.979 61.300 0.050 0.000 1.038 150 I CB 2.266 40.303 38.000 0.062 0.000 1.238 150 I HN 0.575 nan 8.210 nan 0.000 0.420 151 T N 7.239 121.819 114.554 0.043 0.000 2.933 151 T HA 0.818 5.169 4.350 0.001 0.000 0.305 151 T C -1.024 173.702 174.700 0.043 0.000 1.092 151 T CA -0.535 61.588 62.100 0.039 0.000 1.008 151 T CB 1.027 69.905 68.868 0.017 0.000 1.102 151 T HN 0.537 nan 8.240 nan 0.000 0.469 152 M N 1.893 121.529 119.600 0.058 0.000 2.575 152 M HA 0.648 5.129 4.480 0.001 0.000 0.284 152 M C -0.724 175.624 176.300 0.081 0.000 1.253 152 M CA -0.994 54.350 55.300 0.074 0.000 0.861 152 M CB 2.134 34.797 32.600 0.106 0.000 1.733 152 M HN 0.337 nan 8.290 nan 0.000 0.462 153 S N 2.107 117.872 115.700 0.110 0.000 2.592 153 S HA 0.474 4.945 4.470 0.001 0.000 0.243 153 S C -0.650 174.046 174.600 0.159 0.000 1.160 153 S CA -0.671 57.612 58.200 0.139 0.000 1.145 153 S CB -0.368 62.964 63.200 0.221 0.000 0.909 153 S HN 0.559 nan 8.310 nan 0.000 0.487 154 L N -1.585 119.734 121.223 0.161 0.000 2.341 154 L HA 1.087 5.428 4.340 0.001 0.000 0.267 154 L C -0.173 176.837 176.870 0.234 0.000 1.009 154 L CA -0.794 54.173 54.840 0.213 0.000 0.819 154 L CB 1.273 43.479 42.059 0.245 0.000 1.323 154 L HN 0.035 nan 8.230 nan 0.000 0.425 155 G N -0.161 108.856 108.800 0.362 0.000 2.643 155 G HA2 0.669 4.630 3.960 0.001 0.000 0.305 155 G HA3 0.669 4.630 3.960 0.001 0.000 0.305 155 G C -0.938 173.976 174.900 0.023 0.000 1.387 155 G CA -0.407 44.897 45.100 0.339 0.000 0.982 155 G HN 0.960 nan 8.290 nan 0.000 0.501 156 G N 1.278 109.881 108.800 -0.328 0.000 2.453 156 G HA2 0.722 4.683 3.960 0.001 0.000 0.323 156 G HA3 0.722 4.683 3.960 0.001 0.000 0.323 156 G C -1.693 172.861 174.900 -0.577 0.000 1.198 156 G CA -1.548 42.899 45.100 -1.089 0.000 0.959 156 G HN 0.321 nan 8.290 nan 0.000 0.482 157 P HA 0.073 nan 4.420 nan 0.000 0.234 157 P C 0.709 177.965 177.300 -0.073 0.000 1.175 157 P CA 0.437 63.414 63.100 -0.204 0.000 0.801 157 P CB 0.568 32.121 31.700 -0.245 0.000 0.891 158 T N 2.334 116.753 114.554 -0.224 0.000 2.987 158 T HA 0.098 4.449 4.350 0.001 0.000 0.288 158 T C -0.151 174.483 174.700 -0.110 0.000 0.981 158 T CA 0.195 62.241 62.100 -0.091 0.000 1.031 158 T CB -1.005 67.896 68.868 0.055 0.000 0.976 158 T HN -0.004 nan 8.240 nan 0.000 0.612 159 D N 3.721 123.878 120.400 -0.405 0.000 2.398 159 D HA 0.111 4.752 4.640 0.001 0.000 0.250 159 D C 0.448 176.662 176.300 -0.144 0.000 1.287 159 D CA -0.302 53.319 54.000 -0.632 0.000 0.992 159 D CB 0.182 40.422 40.800 -0.933 0.000 1.071 159 D HN 0.392 nan 8.370 nan 0.000 0.514 160 S N 2.826 118.540 115.700 0.024 0.000 2.578 160 S HA 0.244 4.714 4.470 0.001 0.000 0.283 160 S C 1.135 175.793 174.600 0.097 0.000 1.195 160 S CA -0.791 57.448 58.200 0.065 0.000 1.050 160 S CB 1.854 65.104 63.200 0.083 0.000 1.012 160 S HN 0.337 nan 8.310 nan 0.000 0.511 161 E N 1.745 121.979 120.200 0.057 0.000 2.038 161 E HA -0.197 4.153 4.350 0.001 0.000 0.195 161 E C 1.746 178.379 176.600 0.054 0.000 1.000 161 E CA 1.578 58.005 56.400 0.045 0.000 0.803 161 E CB -0.538 29.164 29.700 0.004 0.000 0.750 161 E HN 0.941 nan 8.360 nan 0.000 0.448 162 E N 0.134 120.358 120.200 0.039 0.000 2.169 162 E HA -0.236 4.115 4.350 0.001 0.000 0.202 162 E C 2.141 178.778 176.600 0.062 0.000 1.016 162 E CA 0.948 57.367 56.400 0.033 0.000 0.817 162 E CB -0.100 29.610 29.700 0.017 0.000 0.736 162 E HN 0.026 nan 8.360 nan 0.000 0.462 163 L N -0.128 121.157 121.223 0.104 0.000 2.093 163 L HA -0.160 4.181 4.340 0.001 0.000 0.208 163 L C 2.118 179.072 176.870 0.140 0.000 1.085 163 L CA 1.996 56.936 54.840 0.167 0.000 0.755 163 L CB -0.468 41.771 42.059 0.300 0.000 0.904 163 L HN 0.216 nan 8.230 nan 0.000 0.435 164 H N -1.355 117.657 119.070 -0.097 0.000 2.363 164 H HA -0.129 4.427 4.556 0.001 0.000 0.301 164 H C 1.670 176.885 175.328 -0.187 0.000 1.074 164 H CA 1.060 56.864 56.048 -0.407 0.000 1.354 164 H CB 0.369 29.813 29.762 -0.530 0.000 1.397 164 H HN 0.341 nan 8.280 nan 0.000 0.516 165 D N 0.539 120.966 120.400 0.044 0.000 2.133 165 D HA -0.203 4.438 4.640 0.001 0.000 0.195 165 D C 2.136 178.486 176.300 0.084 0.000 0.997 165 D CA 1.263 55.273 54.000 0.017 0.000 0.840 165 D CB -0.470 40.321 40.800 -0.016 0.000 0.947 165 D HN 0.511 nan 8.370 nan 0.000 0.452 166 A N 0.753 123.636 122.820 0.105 0.000 1.898 166 A HA -0.101 4.220 4.320 0.001 0.000 0.216 166 A C 2.588 180.281 177.584 0.181 0.000 1.181 166 A CA 1.158 53.300 52.037 0.176 0.000 0.620 166 A CB -0.764 18.327 19.000 0.151 0.000 0.819 166 A HN 0.128 nan 8.150 nan 0.000 0.442 167 V N 0.539 120.529 119.914 0.126 0.000 2.214 167 V HA -0.369 3.752 4.120 0.001 0.000 0.247 167 V C 2.449 178.606 176.094 0.105 0.000 1.051 167 V CA 2.631 64.994 62.300 0.105 0.000 1.003 167 V CB -0.909 30.927 31.823 0.022 0.000 0.635 167 V HN 0.610 nan 8.190 nan 0.000 0.447 168 K N -0.898 119.569 120.400 0.111 0.000 2.113 168 K HA -0.262 4.059 4.320 0.001 0.000 0.208 168 K C 2.167 178.835 176.600 0.114 0.000 1.047 168 K CA 2.116 58.454 56.287 0.086 0.000 0.928 168 K CB -0.493 32.035 32.500 0.047 0.000 0.716 168 K HN 0.557 nan 8.250 nan 0.000 0.446 169 Y N 1.417 121.724 120.300 0.011 0.000 2.224 169 Y HA -0.208 4.343 4.550 0.002 0.000 0.289 169 Y C 2.228 178.139 175.900 0.017 0.000 1.146 169 Y CA 1.081 59.186 58.100 0.009 0.000 1.182 169 Y CB -0.477 37.990 38.460 0.011 0.000 0.983 169 Y HN 0.050 nan 8.280 nan 0.000 0.524 170 A N -0.837 121.961 122.820 -0.037 0.000 1.854 170 A HA -0.096 4.225 4.320 0.001 0.000 0.214 170 A C 2.348 179.879 177.584 -0.089 0.000 1.192 170 A CA 1.785 53.756 52.037 -0.111 0.000 0.611 170 A CB -1.278 17.724 19.000 0.003 0.000 0.832 170 A HN 0.256 nan 8.150 nan 0.000 0.442 171 V N -0.180 119.720 119.914 -0.023 0.000 2.594 171 V HA -0.195 3.926 4.120 0.001 0.000 0.253 171 V C 2.712 178.785 176.094 -0.034 0.000 1.069 171 V CA 2.169 64.459 62.300 -0.017 0.000 1.082 171 V CB -0.585 31.242 31.823 0.006 0.000 0.680 171 V HN 0.592 nan 8.190 nan 0.000 0.469 172 S N 0.425 116.099 115.700 -0.044 0.000 2.423 172 S HA -0.050 4.420 4.470 0.001 0.000 0.231 172 S C 1.010 175.562 174.600 -0.080 0.000 1.014 172 S CA 0.893 59.068 58.200 -0.042 0.000 0.965 172 S CB -0.313 62.886 63.200 -0.001 0.000 0.785 172 S HN 0.804 nan 8.310 nan 0.000 0.495 173 N N 1.627 120.241 118.700 -0.143 0.000 2.886 173 N HA 0.225 4.966 4.740 0.001 0.000 0.285 173 N C -0.925 174.521 175.510 -0.105 0.000 1.706 173 N CA -0.316 52.650 53.050 -0.139 0.000 0.904 173 N CB 0.771 39.132 38.487 -0.210 0.000 1.224 173 N HN 0.062 nan 8.380 nan 0.000 0.488 174 N N -0.510 118.152 118.700 -0.064 0.000 2.690 174 N HA -0.154 4.587 4.740 0.001 0.000 0.249 174 N C -0.486 175.008 175.510 -0.027 0.000 1.125 174 N CA 0.685 53.712 53.050 -0.038 0.000 0.794 174 N CB -1.157 37.310 38.487 -0.034 0.000 1.152 174 N HN 0.304 nan 8.380 nan 0.000 0.571 175 V N 0.482 120.372 119.914 -0.040 0.000 2.455 175 V HA 0.215 4.335 4.120 0.001 0.000 0.273 175 V C 0.821 176.919 176.094 0.007 0.000 1.045 175 V CA -0.295 61.994 62.300 -0.018 0.000 0.976 175 V CB 1.617 33.418 31.823 -0.037 0.000 0.993 175 V HN 0.147 nan 8.190 nan 0.000 0.475 176 S N 4.087 119.803 115.700 0.027 0.000 2.513 176 S HA 0.505 4.976 4.470 0.001 0.000 0.276 176 S C -0.252 174.380 174.600 0.053 0.000 1.254 176 S CA -0.413 57.816 58.200 0.048 0.000 1.053 176 S CB 1.156 64.394 63.200 0.063 0.000 0.958 176 S HN 0.494 nan 8.310 nan 0.000 0.491 177 V N 5.632 125.583 119.914 0.062 0.000 2.350 177 V HA 0.416 4.536 4.120 0.001 0.000 0.285 177 V C -0.374 175.766 176.094 0.078 0.000 1.014 177 V CA -0.620 61.722 62.300 0.070 0.000 0.831 177 V CB 1.512 33.382 31.823 0.079 0.000 1.000 177 V HN 0.632 nan 8.190 nan 0.000 0.433 178 V N 4.130 124.088 119.914 0.074 0.000 2.435 178 V HA 0.554 4.675 4.120 0.001 0.000 0.290 178 V C -0.157 175.979 176.094 0.070 0.000 1.030 178 V CA -0.306 62.038 62.300 0.073 0.000 0.881 178 V CB 1.664 33.525 31.823 0.064 0.000 0.983 178 V HN 0.975 nan 8.190 nan 0.000 0.445 179 C N 3.265 122.606 119.300 0.067 0.000 2.698 179 C HA 0.807 5.267 4.460 0.001 0.000 0.309 179 C C 0.622 175.641 174.990 0.047 0.000 1.186 179 C CA -1.101 57.954 59.018 0.061 0.000 1.474 179 C CB 1.424 29.201 27.740 0.062 0.000 2.020 179 C HN 1.007 nan 8.230 nan 0.000 0.474 180 A N 1.632 124.478 122.820 0.044 0.000 2.477 180 A HA 0.559 4.879 4.320 0.001 0.000 0.246 180 A C 0.459 178.045 177.584 0.003 0.000 1.078 180 A CA 0.116 52.169 52.037 0.027 0.000 0.770 180 A CB 0.138 19.155 19.000 0.029 0.000 1.011 180 A HN 1.498 nan 8.150 nan 0.000 0.494 181 A N 3.466 126.280 122.820 -0.010 0.000 2.437 181 A HA 0.544 4.865 4.320 0.001 0.000 0.303 181 A C 1.161 178.714 177.584 -0.052 0.000 1.324 181 A CA 0.179 52.197 52.037 -0.032 0.000 0.983 181 A CB -0.939 18.044 19.000 -0.028 0.000 1.142 181 A HN 2.199 nan 8.150 nan 0.000 0.541 182 G N 2.487 111.253 108.800 -0.056 0.000 3.799 182 G HA2 -0.165 3.796 3.960 0.001 0.000 0.244 182 G HA3 -0.165 3.796 3.960 0.001 0.000 0.244 182 G C 0.482 175.332 174.900 -0.084 0.000 1.229 182 G CA 0.391 45.452 45.100 -0.065 0.000 0.869 182 G HN 1.023 nan 8.290 nan 0.000 0.570 194 F N 1.197 121.053 119.950 -0.155 0.000 2.963 194 F HA 0.432 4.960 4.527 0.001 0.000 0.321 194 F C 1.157 176.818 175.800 -0.231 0.000 1.234 194 F CA 0.506 58.405 58.000 -0.168 0.000 1.296 194 F CB 0.800 39.733 39.000 -0.112 0.000 0.981 194 F HN 0.132 nan 8.300 nan 0.000 0.507 195 A N -0.949 121.726 122.820 -0.241 0.000 1.911 195 A HA 0.084 4.405 4.320 0.001 0.000 0.212 195 A C 0.143 177.228 177.584 -0.831 0.000 1.189 195 A CA 0.785 52.482 52.037 -0.568 0.000 0.639 195 A CB -0.339 18.174 19.000 -0.812 0.000 0.839 195 A HN 0.272 nan 8.150 nan 0.000 0.449 196 Y N -1.066 119.084 120.300 -0.249 0.000 2.352 196 Y HA 0.405 4.955 4.550 0.001 0.000 0.326 196 Y C -1.626 174.221 175.900 -0.089 0.000 1.166 196 Y CA -2.511 55.378 58.100 -0.352 0.000 1.182 196 Y CB 0.597 38.804 38.460 -0.422 0.000 1.216 196 Y HN 0.040 nan 8.280 nan 0.000 0.474 197 P HA -0.084 nan 4.420 nan 0.000 0.237 197 P C 0.984 178.169 177.300 -0.192 0.000 1.178 197 P CA 1.189 64.225 63.100 -0.106 0.000 0.766 197 P CB -0.010 31.825 31.700 0.225 0.000 0.876 198 A N 1.150 123.875 122.820 -0.158 0.000 1.940 198 A HA -0.100 4.220 4.320 0.001 0.000 0.219 198 A C 2.299 179.789 177.584 -0.157 0.000 1.176 198 A CA 1.927 53.896 52.037 -0.114 0.000 0.631 198 A CB -1.370 17.576 19.000 -0.091 0.000 0.814 198 A HN 0.244 nan 8.150 nan 0.000 0.446 199 A N -1.760 120.856 122.820 -0.339 0.000 2.206 199 A HA 0.225 4.545 4.320 0.001 0.000 0.211 199 A C 0.237 177.797 177.584 -0.039 0.000 1.158 199 A CA -0.071 51.813 52.037 -0.255 0.000 0.761 199 A CB -0.452 18.266 19.000 -0.470 0.000 0.801 199 A HN 0.400 nan 8.150 nan 0.000 0.473 200 Y N 0.849 121.144 120.300 -0.010 0.000 2.569 200 Y HA 0.030 4.581 4.550 0.001 0.000 0.332 200 Y C 1.425 177.315 175.900 -0.016 0.000 1.120 200 Y CA -0.441 57.627 58.100 -0.053 0.000 1.416 200 Y CB -0.260 38.098 38.460 -0.171 0.000 1.210 200 Y HN 0.484 nan 8.280 nan 0.000 0.528 201 N N 2.338 121.159 118.700 0.203 0.000 2.272 201 N HA -0.194 4.546 4.740 0.001 0.000 0.185 201 N C 1.396 176.924 175.510 0.030 0.000 1.014 201 N CA 1.549 54.656 53.050 0.096 0.000 0.870 201 N CB 0.214 38.757 38.487 0.094 0.000 0.975 201 N HN 0.676 nan 8.380 nan 0.000 0.433 202 E N -0.398 119.841 120.200 0.066 0.000 2.358 202 E HA -0.021 4.330 4.350 0.001 0.000 0.195 202 E C 0.261 176.862 176.600 0.002 0.000 1.010 202 E CA 0.186 56.592 56.400 0.009 0.000 0.856 202 E CB -0.109 29.618 29.700 0.045 0.000 0.795 202 E HN 0.146 nan 8.360 nan 0.000 0.504 203 V N 2.339 122.288 119.914 0.059 0.000 2.732 203 V HA 0.110 4.231 4.120 0.001 0.000 0.297 203 V C 0.670 176.786 176.094 0.036 0.000 1.060 203 V CA -0.445 61.895 62.300 0.066 0.000 1.038 203 V CB 1.338 33.229 31.823 0.113 0.000 1.003 203 V HN 0.105 nan 8.190 nan 0.000 0.481 204 I N 4.143 124.754 120.570 0.068 0.000 2.347 204 I HA 0.309 4.480 4.170 0.001 0.000 0.294 204 I C 0.651 176.825 176.117 0.095 0.000 1.090 204 I CA 0.235 61.607 61.300 0.120 0.000 1.314 204 I CB 0.726 38.833 38.000 0.178 0.000 1.423 204 I HN 0.702 nan 8.210 nan 0.000 0.503 205 A N 7.457 130.328 122.820 0.085 0.000 2.252 205 A HA 0.607 4.928 4.320 0.001 0.000 0.309 205 A C -0.331 177.286 177.584 0.055 0.000 1.285 205 A CA -0.436 51.634 52.037 0.054 0.000 0.900 205 A CB 0.458 19.475 19.000 0.028 0.000 1.157 205 A HN 0.460 nan 8.150 nan 0.000 0.536 206 V N 2.980 122.922 119.914 0.046 0.000 2.427 206 V HA 0.673 4.794 4.120 0.001 0.000 0.286 206 V C 0.997 177.106 176.094 0.025 0.000 1.034 206 V CA 0.068 62.392 62.300 0.041 0.000 0.893 206 V CB 1.188 33.041 31.823 0.049 0.000 0.982 206 V HN 1.035 nan 8.190 nan 0.000 0.452 207 G N 2.493 111.305 108.800 0.020 0.000 2.705 207 G HA2 0.843 4.804 3.960 0.001 0.000 0.299 207 G HA3 0.843 4.804 3.960 0.001 0.000 0.299 207 G C -0.764 174.142 174.900 0.010 0.000 1.315 207 G CA -0.253 44.848 45.100 0.002 0.000 1.045 207 G HN 1.111 nan 8.290 nan 0.000 0.517 208 A N -1.408 121.406 122.820 -0.011 0.000 2.469 208 A HA 0.856 5.176 4.320 0.001 0.000 0.299 208 A C -0.429 177.135 177.584 -0.034 0.000 1.098 208 A CA -0.229 51.800 52.037 -0.014 0.000 0.737 208 A CB 1.742 20.723 19.000 -0.031 0.000 1.312 208 A HN 1.991 nan 8.150 nan 0.000 0.414 209 V N -1.067 118.826 119.914 -0.035 0.000 3.141 209 V HA 0.860 4.981 4.120 0.001 0.000 0.312 209 V C -0.647 175.344 176.094 -0.171 0.000 1.157 209 V CA -0.572 61.685 62.300 -0.072 0.000 1.041 209 V CB 1.720 33.528 31.823 -0.025 0.000 1.071 209 V HN 1.048 nan 8.190 nan 0.000 0.441 210 D N -0.211 120.069 120.400 -0.201 0.000 2.539 210 D HA 0.388 5.028 4.640 0.001 0.000 0.276 210 D C 0.563 176.670 176.300 -0.320 0.000 1.206 210 D CA -0.614 53.177 54.000 -0.348 0.000 1.081 210 D CB 0.278 40.949 40.800 -0.215 0.000 1.142 210 D HN 0.316 nan 8.370 nan 0.000 0.595 211 F N -0.391 119.519 119.950 -0.067 0.000 2.333 211 F HA -0.011 4.517 4.527 0.001 0.000 0.300 211 F C 1.626 177.346 175.800 -0.133 0.000 1.083 211 F CA 0.714 58.654 58.000 -0.100 0.000 1.395 211 F CB -0.557 38.411 39.000 -0.053 0.000 1.056 211 F HN 0.251 nan 8.300 nan 0.000 0.529 212 D N 0.418 120.846 120.400 0.047 0.000 2.336 212 D HA 0.044 4.685 4.640 0.001 0.000 0.229 212 D C 1.189 177.453 176.300 -0.060 0.000 1.061 212 D CA 0.347 54.340 54.000 -0.011 0.000 0.875 212 D CB -0.158 40.647 40.800 0.010 0.000 0.904 212 D HN 0.265 nan 8.370 nan 0.000 0.525 213 L N -0.215 120.932 121.223 -0.126 0.000 3.843 213 L HA -0.314 4.026 4.340 0.001 0.000 0.411 213 L C 0.165 177.075 176.870 0.067 0.000 1.205 213 L CA 0.599 55.356 54.840 -0.139 0.000 0.945 213 L CB -1.762 40.155 42.059 -0.238 0.000 1.929 213 L HN 0.184 nan 8.230 nan 0.000 0.934 214 R N -0.491 120.036 120.500 0.046 0.000 2.643 214 R HA 0.856 5.197 4.340 0.001 0.000 0.272 214 R C -0.261 176.011 176.300 -0.046 0.000 0.995 214 R CA -1.101 55.050 56.100 0.086 0.000 1.032 214 R CB 1.003 31.349 30.300 0.075 0.000 1.126 214 R HN -0.009 nan 8.270 nan 0.000 0.505 225 I N -1.098 119.485 120.570 0.020 0.000 2.797 225 I HA 0.561 4.732 4.170 0.001 0.000 0.307 225 I C 0.018 176.176 176.117 0.069 0.000 1.033 225 I CA -0.438 60.884 61.300 0.037 0.000 1.071 225 I CB 1.645 39.659 38.000 0.023 0.000 1.255 225 I HN 0.258 nan 8.210 nan 0.000 0.445 226 D N 2.734 123.193 120.400 0.097 0.000 2.324 226 D HA 0.327 4.968 4.640 0.001 0.000 0.212 226 D C 0.541 176.898 176.300 0.096 0.000 0.984 226 D CA 1.156 55.247 54.000 0.152 0.000 0.885 226 D CB 1.852 42.807 40.800 0.258 0.000 0.996 226 D HN 0.584 nan 8.370 nan 0.000 0.505 227 I N 0.009 120.620 120.570 0.067 0.000 3.229 227 I HA 0.213 4.384 4.170 0.001 0.000 0.313 227 I C -1.990 174.151 176.117 0.040 0.000 1.317 227 I CA -0.947 60.374 61.300 0.035 0.000 0.940 227 I CB 2.427 40.425 38.000 -0.002 0.000 1.315 227 I HN -0.220 nan 8.210 nan 0.000 0.484 228 V N 1.632 121.573 119.914 0.044 0.000 2.876 228 V HA 1.057 5.178 4.120 0.001 0.000 0.312 228 V C -0.704 175.427 176.094 0.061 0.000 1.085 228 V CA 0.013 62.359 62.300 0.076 0.000 0.945 228 V CB 1.049 32.953 31.823 0.135 0.000 1.017 228 V HN 1.106 nan 8.190 nan 0.000 0.428 229 A N 3.785 126.640 122.820 0.057 0.000 2.552 229 A HA 1.063 5.384 4.320 0.001 0.000 0.288 229 A C -3.218 174.386 177.584 0.033 0.000 1.193 229 A CA -1.981 50.055 52.037 -0.002 0.000 0.713 229 A CB 1.640 20.576 19.000 -0.106 0.000 1.305 229 A HN 0.715 nan 8.150 nan 0.000 0.424 230 P HA 0.351 nan 4.420 nan 0.000 0.269 230 P C 0.540 177.741 177.300 -0.165 0.000 1.209 230 P CA 0.823 63.804 63.100 -0.197 0.000 0.776 230 P CB 0.872 32.427 31.700 -0.242 0.000 0.876 231 G N 0.754 109.451 108.800 -0.171 0.000 3.873 231 G HA2 0.161 4.122 3.960 0.001 0.000 0.232 231 G HA3 0.161 4.122 3.960 0.001 0.000 0.232 231 G C -0.653 174.176 174.900 -0.118 0.000 1.097 231 G CA 0.153 45.211 45.100 -0.070 0.000 0.889 231 G HN 0.414 nan 8.290 nan 0.000 0.532 232 V N 1.399 121.140 119.914 -0.289 0.000 2.334 232 V HA 0.639 4.759 4.120 0.001 0.000 0.281 232 V C 1.017 176.990 176.094 -0.202 0.000 1.016 232 V CA 0.439 62.591 62.300 -0.246 0.000 0.832 232 V CB 0.817 32.489 31.823 -0.250 0.000 0.999 232 V HN 0.938 nan 8.190 nan 0.000 0.439 233 G N 5.439 114.244 108.800 0.008 0.000 2.289 233 G HA2 -0.197 3.764 3.960 0.001 0.000 0.280 233 G HA3 -0.197 3.764 3.960 0.001 0.000 0.280 233 G C -0.088 174.972 174.900 0.266 0.000 1.089 233 G CA 0.394 45.581 45.100 0.145 0.000 0.939 233 G HN 1.141 nan 8.290 nan 0.000 0.499 234 I N -1.970 118.742 120.570 0.236 0.000 2.321 234 I HA 0.710 4.881 4.170 0.001 0.000 0.291 234 I C 0.185 176.504 176.117 0.336 0.000 0.998 234 I CA -1.180 60.323 61.300 0.339 0.000 1.227 234 I CB 0.964 39.187 38.000 0.372 0.000 1.368 234 I HN 0.013 nan 8.210 nan 0.000 0.466 235 K N 4.966 125.516 120.400 0.251 0.000 2.218 235 K HA 0.581 4.902 4.320 0.001 0.000 0.276 235 K C -0.267 176.350 176.600 0.029 0.000 1.022 235 K CA -0.369 56.036 56.287 0.196 0.000 0.946 235 K CB 1.486 34.045 32.500 0.098 0.000 1.000 235 K HN 0.750 nan 8.250 nan 0.000 0.468 236 S N -0.128 115.529 115.700 -0.071 0.000 2.724 236 S HA 0.295 4.766 4.470 0.001 0.000 0.278 236 S C -1.284 173.386 174.600 0.116 0.000 1.190 236 S CA -0.826 57.203 58.200 -0.286 0.000 0.860 236 S CB 0.726 63.301 63.200 -1.042 0.000 1.206 236 S HN 0.722 nan 8.310 nan 0.000 0.507 237 T N 0.307 114.882 114.554 0.035 0.000 2.900 237 T HA 0.528 4.878 4.350 0.001 0.000 0.307 237 T C -0.709 174.134 174.700 0.238 0.000 1.065 237 T CA 0.250 62.375 62.100 0.042 0.000 1.105 237 T CB 0.473 69.032 68.868 -0.514 0.000 0.979 237 T HN 0.536 nan 8.240 nan 0.000 0.544 238 Y N 0.347 120.728 120.300 0.135 0.000 2.728 238 Y HA 0.539 5.090 4.550 0.001 0.000 0.330 238 Y C -0.424 175.572 175.900 0.160 0.000 1.234 238 Y CA -1.743 56.452 58.100 0.157 0.000 1.070 238 Y CB 1.191 39.761 38.460 0.183 0.000 1.300 238 Y HN 0.783 nan 8.280 nan 0.000 0.467 239 L N 2.204 123.263 121.223 -0.273 0.000 2.492 239 L HA 0.059 4.400 4.340 0.001 0.000 0.280 239 L C -0.208 176.643 176.870 -0.032 0.000 1.240 239 L CA 0.698 55.447 54.840 -0.152 0.000 0.831 239 L CB 0.024 41.935 42.059 -0.246 0.000 1.100 239 L HN 0.732 nan 8.230 nan 0.000 0.505 240 D N 0.962 121.323 120.400 -0.065 0.000 2.699 240 D HA -0.181 4.460 4.640 0.001 0.000 0.239 240 D C 0.620 176.800 176.300 -0.199 0.000 1.136 240 D CA 1.051 54.994 54.000 -0.095 0.000 0.668 240 D CB -1.399 39.376 40.800 -0.043 0.000 1.060 240 D HN 0.752 nan 8.370 nan 0.000 0.429 241 S N -3.044 112.424 115.700 -0.386 0.000 3.402 241 S HA -0.214 4.257 4.470 0.001 0.000 0.329 241 S C 1.217 175.379 174.600 -0.729 0.000 1.194 241 S CA 1.023 58.711 58.200 -0.854 0.000 0.951 241 S CB -1.510 61.392 63.200 -0.498 0.000 0.975 241 S HN 0.909 nan 8.310 nan 0.000 0.574 242 G N -0.522 108.060 108.800 -0.363 0.000 2.535 242 G HA2 0.578 4.539 3.960 0.001 0.000 0.282 242 G HA3 0.578 4.539 3.960 0.001 0.000 0.282 242 G C -0.656 174.011 174.900 -0.389 0.000 1.350 242 G CA -0.564 44.413 45.100 -0.205 0.000 1.039 242 G HN 0.327 nan 8.290 nan 0.000 0.509 243 Y N -1.605 118.852 120.300 0.261 0.000 2.504 243 Y HA 0.629 5.179 4.550 0.001 0.000 0.344 243 Y C 0.333 176.322 175.900 0.147 0.000 1.023 243 Y CA -0.575 57.670 58.100 0.242 0.000 1.020 243 Y CB 2.198 40.751 38.460 0.156 0.000 1.282 243 Y HN 0.805 nan 8.280 nan 0.000 0.454 244 A N 1.582 124.576 122.820 0.291 0.000 2.527 244 A HA 0.784 5.104 4.320 0.001 0.000 0.293 244 A C -1.434 176.267 177.584 0.194 0.000 1.117 244 A CA -0.878 51.169 52.037 0.015 0.000 0.723 244 A CB 1.996 20.619 19.000 -0.629 0.000 1.313 244 A HN 0.734 nan 8.150 nan 0.000 0.411 245 E N 1.131 121.380 120.200 0.081 0.000 2.165 245 E HA 0.628 4.979 4.350 0.001 0.000 0.266 245 E C -1.778 174.838 176.600 0.026 0.000 0.889 245 E CA -0.447 56.036 56.400 0.139 0.000 0.756 245 E CB 0.948 30.715 29.700 0.111 0.000 1.131 245 E HN 0.564 nan 8.360 nan 0.000 0.411 246 L N 3.079 124.296 121.223 -0.011 0.000 2.341 246 L HA 0.508 4.849 4.340 0.001 0.000 0.278 246 L C -0.450 176.420 176.870 -0.001 0.000 1.005 246 L CA -1.019 53.767 54.840 -0.090 0.000 0.818 246 L CB 2.144 43.959 42.059 -0.406 0.000 1.259 246 L HN 0.484 nan 8.230 nan 0.000 0.418 247 S N 1.088 116.806 115.700 0.031 0.000 2.475 247 S HA 0.929 5.399 4.470 0.001 0.000 0.298 247 S C 0.145 174.770 174.600 0.040 0.000 1.119 247 S CA -0.416 57.794 58.200 0.017 0.000 1.085 247 S CB 1.925 65.127 63.200 0.003 0.000 1.028 247 S HN 0.959 nan 8.310 nan 0.000 0.489 248 G N 1.046 109.851 108.800 0.009 0.000 2.324 248 G HA2 0.232 4.193 3.960 0.001 0.000 0.293 248 G HA3 0.232 4.193 3.960 0.001 0.000 0.293 248 G C 0.040 174.934 174.900 -0.011 0.000 1.297 248 G CA -0.489 44.620 45.100 0.016 0.000 0.853 248 G HN 0.400 nan 8.290 nan 0.000 0.535 249 T N 0.813 115.353 114.554 -0.022 0.000 3.067 249 T HA 0.274 4.625 4.350 0.001 0.000 0.257 249 T C 2.378 177.075 174.700 -0.006 0.000 1.105 249 T CA 1.866 63.949 62.100 -0.029 0.000 1.104 249 T CB 0.049 68.883 68.868 -0.057 0.000 0.925 249 T HN 1.054 nan 8.240 nan 0.000 0.498 250 A N 0.813 123.633 122.820 0.001 0.000 2.123 250 A HA 0.193 4.514 4.320 0.001 0.000 0.214 250 A C 1.894 179.517 177.584 0.065 0.000 1.152 250 A CA 0.711 52.770 52.037 0.038 0.000 0.728 250 A CB -0.421 18.614 19.000 0.059 0.000 0.814 250 A HN 0.342 nan 8.150 nan 0.000 0.464 251 M N -0.504 119.129 119.600 0.055 0.000 2.562 251 M HA 0.178 4.659 4.480 0.001 0.000 0.257 251 M C 2.112 178.536 176.300 0.206 0.000 1.099 251 M CA 0.972 56.341 55.300 0.115 0.000 1.099 251 M CB -0.355 32.311 32.600 0.110 0.000 1.427 251 M HN 0.420 nan 8.290 nan 0.000 0.489 252 A N 0.118 123.025 122.820 0.144 0.000 1.840 252 A HA 0.069 4.390 4.320 0.001 0.000 0.214 252 A C 2.405 180.109 177.584 0.200 0.000 1.198 252 A CA 1.713 53.851 52.037 0.168 0.000 0.608 252 A CB -1.295 17.744 19.000 0.065 0.000 0.839 252 A HN 0.414 nan 8.150 nan 0.000 0.443 253 A N 0.500 123.387 122.820 0.113 0.000 1.909 253 A HA -0.208 4.113 4.320 0.001 0.000 0.221 253 A C 0.232 177.865 177.584 0.080 0.000 1.223 253 A CA 2.490 54.578 52.037 0.085 0.000 0.658 253 A CB -2.092 16.944 19.000 0.060 0.000 0.831 253 A HN 0.460 nan 8.150 nan 0.000 0.462 254 P HA -0.131 nan 4.420 nan 0.000 0.219 254 P C 0.722 178.007 177.300 -0.026 0.000 1.146 254 P CA 1.660 64.746 63.100 -0.023 0.000 0.808 254 P CB -0.274 31.370 31.700 -0.094 0.000 0.779 255 H N -1.263 117.821 119.070 0.023 0.000 2.352 255 H HA -0.097 4.459 4.556 0.001 0.000 0.299 255 H C 1.806 177.136 175.328 0.003 0.000 1.097 255 H CA 1.388 57.448 56.048 0.021 0.000 1.311 255 H CB -0.990 28.785 29.762 0.022 0.000 1.377 255 H HN -0.075 nan 8.280 nan 0.000 0.504 256 V N 0.614 120.599 119.914 0.118 0.000 2.307 256 V HA -0.245 3.876 4.120 0.001 0.000 0.245 256 V C 2.636 178.760 176.094 0.049 0.000 1.045 256 V CA 1.461 63.795 62.300 0.058 0.000 1.024 256 V CB -1.174 30.676 31.823 0.045 0.000 0.651 256 V HN 0.578 nan 8.190 nan 0.000 0.449 257 A N 1.105 123.951 122.820 0.045 0.000 1.869 257 A HA -0.217 4.104 4.320 0.001 0.000 0.218 257 A C 2.480 180.084 177.584 0.033 0.000 1.203 257 A CA 2.589 54.647 52.037 0.035 0.000 0.638 257 A CB -1.623 17.390 19.000 0.020 0.000 0.831 257 A HN 0.545 nan 8.150 nan 0.000 0.450 258 G N -0.661 108.155 108.800 0.027 0.000 2.599 258 G HA2 -0.145 3.816 3.960 0.001 0.000 0.219 258 G HA3 -0.145 3.816 3.960 0.001 0.000 0.219 258 G C 1.847 176.785 174.900 0.062 0.000 1.193 258 G CA 2.413 47.538 45.100 0.040 0.000 0.778 258 G HN 1.077 nan 8.290 nan 0.000 0.589 259 A N 0.616 123.474 122.820 0.063 0.000 1.884 259 A HA -0.066 4.254 4.320 0.001 0.000 0.219 259 A C 2.499 180.111 177.584 0.047 0.000 1.197 259 A CA 1.780 53.850 52.037 0.054 0.000 0.637 259 A CB -0.670 18.345 19.000 0.024 0.000 0.827 259 A HN 0.399 nan 8.150 nan 0.000 0.450 260 L N -0.923 120.324 121.223 0.040 0.000 2.189 260 L HA -0.283 4.058 4.340 0.001 0.000 0.214 260 L C 3.026 179.924 176.870 0.046 0.000 1.097 260 L CA 1.031 55.895 54.840 0.040 0.000 0.764 260 L CB -0.490 41.595 42.059 0.043 0.000 0.900 260 L HN 0.505 nan 8.230 nan 0.000 0.436 261 A N 0.273 123.123 122.820 0.050 0.000 1.855 261 A HA -0.144 4.177 4.320 0.001 0.000 0.215 261 A C 2.160 179.780 177.584 0.060 0.000 1.191 261 A CA 1.382 53.449 52.037 0.051 0.000 0.613 261 A CB -0.679 18.348 19.000 0.046 0.000 0.829 261 A HN 0.395 nan 8.150 nan 0.000 0.442 262 L N -0.626 120.644 121.223 0.079 0.000 2.191 262 L HA -0.153 4.187 4.340 0.001 0.000 0.212 262 L C 2.305 179.218 176.870 0.071 0.000 1.103 262 L CA 0.984 55.880 54.840 0.093 0.000 0.769 262 L CB -0.706 41.435 42.059 0.137 0.000 0.908 262 L HN 0.328 nan 8.230 nan 0.000 0.438 263 I N -0.029 120.574 120.570 0.056 0.000 2.252 263 I HA -0.246 3.925 4.170 0.001 0.000 0.245 263 I C 2.398 178.549 176.117 0.057 0.000 1.102 263 I CA 1.315 62.644 61.300 0.049 0.000 1.385 263 I CB -0.208 37.812 38.000 0.033 0.000 1.064 263 I HN 0.115 nan 8.210 nan 0.000 0.414 264 I N 0.730 121.331 120.570 0.052 0.000 2.113 264 I HA -0.296 3.875 4.170 0.001 0.000 0.238 264 I C 2.293 178.445 176.117 0.058 0.000 1.070 264 I CA 1.367 62.697 61.300 0.051 0.000 1.332 264 I CB -0.687 37.339 38.000 0.042 0.000 1.044 264 I HN 0.249 nan 8.210 nan 0.000 0.402 265 N N 1.278 120.011 118.700 0.054 0.000 2.011 265 N HA -0.220 4.521 4.740 0.001 0.000 0.199 265 N C 1.815 177.362 175.510 0.061 0.000 1.047 265 N CA 2.085 55.167 53.050 0.054 0.000 0.863 265 N CB -0.944 37.574 38.487 0.052 0.000 1.056 265 N HN 0.357 nan 8.380 nan 0.000 0.427 266 L N -1.060 120.201 121.223 0.064 0.000 2.056 266 L HA 0.171 4.511 4.340 0.001 0.000 0.207 266 L C 2.193 179.109 176.870 0.077 0.000 1.078 266 L CA 1.859 56.735 54.840 0.061 0.000 0.749 266 L CB -1.286 40.805 42.059 0.053 0.000 0.901 266 L HN 0.069 nan 8.230 nan 0.000 0.433 267 A N 0.336 123.219 122.820 0.104 0.000 1.851 267 A HA -0.219 4.102 4.320 0.001 0.000 0.216 267 A C 2.260 179.977 177.584 0.221 0.000 1.195 267 A CA 2.040 54.190 52.037 0.188 0.000 0.622 267 A CB -0.831 18.281 19.000 0.186 0.000 0.831 267 A HN 0.627 nan 8.150 nan 0.000 0.444 268 E N -0.502 119.786 120.200 0.147 0.000 2.077 268 E HA -0.219 4.132 4.350 0.001 0.000 0.193 268 E C 1.638 178.311 176.600 0.123 0.000 0.989 268 E CA 1.166 57.648 56.400 0.136 0.000 0.800 268 E CB -0.341 29.406 29.700 0.078 0.000 0.746 268 E HN 0.515 nan 8.360 nan 0.000 0.452 269 D N 0.455 120.905 120.400 0.084 0.000 2.172 269 D HA -0.169 4.471 4.640 0.001 0.000 0.196 269 D C 1.804 178.129 176.300 0.041 0.000 0.999 269 D CA 1.501 55.534 54.000 0.055 0.000 0.856 269 D CB -0.139 40.685 40.800 0.040 0.000 0.934 269 D HN 0.198 nan 8.370 nan 0.000 0.453 270 A N -0.619 122.222 122.820 0.036 0.000 1.874 270 A HA -0.055 4.265 4.320 0.001 0.000 0.214 270 A C 1.916 179.430 177.584 -0.117 0.000 1.189 270 A CA 0.672 52.663 52.037 -0.077 0.000 0.615 270 A CB -0.827 18.076 19.000 -0.163 0.000 0.830 270 A HN 0.220 nan 8.150 nan 0.000 0.443 271 F N 0.068 120.025 119.950 0.012 0.000 2.811 271 F HA 0.104 4.634 4.527 0.004 0.000 0.301 271 F C 0.540 176.346 175.800 0.010 0.000 1.151 271 F CA 0.586 58.593 58.000 0.011 0.000 1.412 271 F CB 0.241 39.248 39.000 0.012 0.000 1.113 271 F HN 0.055 nan 8.300 nan 0.000 0.579 272 K N 1.497 121.988 120.400 0.151 0.000 3.156 272 K HA -0.256 4.065 4.320 0.001 0.000 0.266 272 K C -0.147 176.510 176.600 0.094 0.000 0.966 272 K CA 0.598 56.941 56.287 0.094 0.000 0.719 272 K CB -1.362 31.174 32.500 0.059 0.000 1.333 272 K HN 0.485 nan 8.250 nan 0.000 0.468 273 R N -0.683 119.880 120.500 0.105 0.000 2.739 273 R HA 0.136 4.477 4.340 0.001 0.000 0.266 273 R C -1.042 175.287 176.300 0.047 0.000 1.044 273 R CA -0.410 55.733 56.100 0.071 0.000 0.885 273 R CB 1.323 31.672 30.300 0.082 0.000 1.260 273 R HN 0.069 nan 8.270 nan 0.000 0.477 274 S N 2.582 118.291 115.700 0.016 0.000 2.592 274 S HA 0.504 4.975 4.470 0.001 0.000 0.271 274 S C -0.233 174.348 174.600 -0.032 0.000 1.326 274 S CA -0.349 57.851 58.200 -0.001 0.000 1.024 274 S CB 0.556 63.752 63.200 -0.007 0.000 0.921 274 S HN 0.305 nan 8.310 nan 0.000 0.527 275 L N 1.858 123.057 121.223 -0.040 0.000 2.408 275 L HA 0.441 4.782 4.340 0.001 0.000 0.268 275 L C 0.354 177.193 176.870 -0.051 0.000 0.986 275 L CA -0.792 54.002 54.840 -0.077 0.000 0.820 275 L CB 2.188 44.185 42.059 -0.104 0.000 1.303 275 L HN 0.738 nan 8.230 nan 0.000 0.411 276 S N -0.239 115.427 115.700 -0.057 0.000 2.600 276 S HA 0.073 4.544 4.470 0.001 0.000 0.265 276 S C 0.766 175.356 174.600 -0.016 0.000 1.325 276 S CA -0.246 57.934 58.200 -0.034 0.000 1.002 276 S CB 1.313 64.493 63.200 -0.033 0.000 0.921 276 S HN 0.797 nan 8.310 nan 0.000 0.554 277 E N 0.547 120.747 120.200 -0.000 0.000 2.216 277 E HA -0.041 4.309 4.350 0.001 0.000 0.192 277 E C 1.513 178.151 176.600 0.063 0.000 0.988 277 E CA 1.332 57.749 56.400 0.027 0.000 0.834 277 E CB -1.039 28.673 29.700 0.021 0.000 0.772 277 E HN 0.602 nan 8.360 nan 0.000 0.479 278 T N 0.836 115.415 114.554 0.042 0.000 2.746 278 T HA -0.146 4.205 4.350 0.001 0.000 0.267 278 T C 1.428 176.176 174.700 0.079 0.000 1.039 278 T CA 1.690 63.833 62.100 0.071 0.000 1.142 278 T CB -0.235 68.651 68.868 0.030 0.000 0.866 278 T HN 0.352 nan 8.240 nan 0.000 0.444 279 E N 0.348 120.554 120.200 0.011 0.000 2.106 279 E HA -0.041 4.309 4.350 0.001 0.000 0.192 279 E C 2.110 178.701 176.600 -0.014 0.000 0.984 279 E CA 0.716 57.094 56.400 -0.036 0.000 0.806 279 E CB -0.054 29.570 29.700 -0.126 0.000 0.750 279 E HN 0.399 nan 8.360 nan 0.000 0.458 280 I N 0.381 120.961 120.570 0.017 0.000 2.439 280 I HA -0.210 3.961 4.170 0.001 0.000 0.251 280 I C 2.289 178.443 176.117 0.061 0.000 1.139 280 I CA 0.976 62.295 61.300 0.032 0.000 1.438 280 I CB -0.842 37.181 38.000 0.039 0.000 1.085 280 I HN 0.171 nan 8.210 nan 0.000 0.427 281 Y N 2.737 123.036 120.300 -0.002 0.000 2.097 281 Y HA -0.281 4.270 4.550 0.002 0.000 0.282 281 Y C 2.700 178.606 175.900 0.009 0.000 1.152 281 Y CA 1.828 59.933 58.100 0.008 0.000 1.136 281 Y CB -0.518 37.949 38.460 0.011 0.000 0.975 281 Y HN 0.118 nan 8.280 nan 0.000 0.498 282 A N 0.322 123.136 122.820 -0.010 0.000 1.954 282 A HA -0.339 3.982 4.320 0.001 0.000 0.222 282 A C 2.086 179.599 177.584 -0.119 0.000 1.199 282 A CA 2.407 54.396 52.037 -0.081 0.000 0.657 282 A CB -0.758 18.245 19.000 0.005 0.000 0.823 282 A HN 0.647 nan 8.150 nan 0.000 0.463 283 Q N -1.594 118.165 119.800 -0.069 0.000 2.212 283 Q HA 0.013 4.354 4.340 0.001 0.000 0.199 283 Q C 2.091 178.049 176.000 -0.070 0.000 0.950 283 Q CA 1.001 56.788 55.803 -0.028 0.000 0.863 283 Q CB -0.422 28.333 28.738 0.027 0.000 0.944 283 Q HN 0.628 nan 8.270 nan 0.000 0.465 284 L N 0.857 122.008 121.223 -0.119 0.000 2.017 284 L HA -0.116 4.225 4.340 0.001 0.000 0.208 284 L C 2.234 178.998 176.870 -0.178 0.000 1.073 284 L CA 1.709 56.470 54.840 -0.131 0.000 0.745 284 L CB -0.897 41.084 42.059 -0.132 0.000 0.894 284 L HN 0.118 nan 8.230 nan 0.000 0.432 285 V N 0.148 119.884 119.914 -0.298 0.000 2.809 285 V HA -0.148 3.973 4.120 0.001 0.000 0.256 285 V C 2.391 178.396 176.094 -0.148 0.000 1.080 285 V CA 1.464 63.603 62.300 -0.268 0.000 1.102 285 V CB -1.037 30.537 31.823 -0.416 0.000 0.705 285 V HN 0.736 nan 8.190 nan 0.000 0.475 286 R N -0.194 120.236 120.500 -0.115 0.000 2.319 286 R HA 0.187 4.528 4.340 0.001 0.000 0.204 286 R C 1.425 177.692 176.300 -0.054 0.000 0.954 286 R CA 0.269 56.331 56.100 -0.064 0.000 1.066 286 R CB -0.288 29.992 30.300 -0.034 0.000 0.991 286 R HN 0.381 nan 8.270 nan 0.000 0.486 287 R N 0.614 121.072 120.500 -0.070 0.000 2.613 287 R HA 0.343 4.684 4.340 0.001 0.000 0.361 287 R C -0.842 175.407 176.300 -0.085 0.000 1.072 287 R CA 0.166 56.225 56.100 -0.067 0.000 1.089 287 R CB 1.641 31.901 30.300 -0.066 0.000 1.343 287 R HN 0.292 nan 8.270 nan 0.000 0.571 288 A N 0.043 122.818 122.820 -0.075 0.000 2.304 288 A HA 0.589 4.910 4.320 0.001 0.000 0.314 288 A C -0.516 177.058 177.584 -0.016 0.000 1.187 288 A CA -0.434 51.565 52.037 -0.064 0.000 0.810 288 A CB 0.910 19.870 19.000 -0.066 0.000 1.183 288 A HN 0.119 nan 8.150 nan 0.000 0.487 289 T N 4.815 119.384 114.554 0.025 0.000 2.829 289 T HA 0.564 4.915 4.350 0.001 0.000 0.282 289 T C -2.675 172.071 174.700 0.077 0.000 0.990 289 T CA -0.978 61.153 62.100 0.050 0.000 1.028 289 T CB 1.353 70.268 68.868 0.078 0.000 0.951 289 T HN 0.413 nan 8.240 nan 0.000 0.460 290 P HA 0.404 nan 4.420 nan 0.000 0.281 290 P C 0.387 177.702 177.300 0.025 0.000 1.249 290 P CA -0.540 62.590 63.100 0.051 0.000 0.810 290 P CB 0.835 32.551 31.700 0.028 0.000 1.008 291 I N 0.134 120.710 120.570 0.009 0.000 3.265 291 I HA 0.191 4.362 4.170 0.001 0.000 0.282 291 I C 1.414 177.382 176.117 -0.247 0.000 1.207 291 I CA 0.746 61.984 61.300 -0.104 0.000 1.449 291 I CB -0.273 37.675 38.000 -0.086 0.000 1.121 291 I HN 0.618 nan 8.210 nan 0.000 0.442 292 G N 1.015 109.694 108.800 -0.202 0.000 2.205 292 G HA2 -0.180 3.781 3.960 0.001 0.000 0.180 292 G HA3 -0.180 3.781 3.960 0.001 0.000 0.180 292 G C 0.068 174.821 174.900 -0.245 0.000 1.004 292 G CA -0.680 44.286 45.100 -0.223 0.000 0.670 292 G HN 0.102 nan 8.290 nan 0.000 0.496 293 F N 2.443 122.394 119.950 0.003 0.000 2.410 293 F HA 0.560 5.088 4.527 0.001 0.000 0.334 293 F C 1.612 177.417 175.800 0.009 0.000 1.134 293 F CA 0.163 58.165 58.000 0.003 0.000 1.227 293 F CB 0.450 39.452 39.000 0.003 0.000 1.194 293 F HN 0.165 nan 8.300 nan 0.000 0.571 294 T N -0.727 113.945 114.554 0.197 0.000 2.701 294 T HA 0.344 4.695 4.350 0.001 0.000 0.303 294 T C 1.156 175.922 174.700 0.111 0.000 1.030 294 T CA -0.229 61.939 62.100 0.113 0.000 1.010 294 T CB 0.820 69.737 68.868 0.082 0.000 1.007 294 T HN 0.703 nan 8.240 nan 0.000 0.532 295 A N 0.666 123.533 122.820 0.077 0.000 2.066 295 A HA -0.031 4.290 4.320 0.001 0.000 0.218 295 A C 2.473 180.092 177.584 0.060 0.000 1.157 295 A CA 1.442 53.522 52.037 0.071 0.000 0.670 295 A CB -0.954 18.082 19.000 0.060 0.000 0.804 295 A HN 0.990 nan 8.150 nan 0.000 0.453 296 Q N -0.718 119.111 119.800 0.048 0.000 2.167 296 Q HA 0.025 4.366 4.340 0.001 0.000 0.202 296 Q C 1.908 177.919 176.000 0.018 0.000 0.970 296 Q CA 1.418 57.239 55.803 0.030 0.000 0.855 296 Q CB -0.456 28.295 28.738 0.021 0.000 0.911 296 Q HN 0.472 nan 8.270 nan 0.000 0.438 297 A N 1.957 124.792 122.820 0.025 0.000 1.975 297 A HA -0.119 4.202 4.320 0.001 0.000 0.215 297 A C 1.575 179.156 177.584 -0.004 0.000 1.170 297 A CA 1.068 53.094 52.037 -0.019 0.000 0.656 297 A CB -0.062 18.911 19.000 -0.045 0.000 0.821 297 A HN 0.618 nan 8.150 nan 0.000 0.449 298 E N -1.472 118.772 120.200 0.073 0.000 2.758 298 E HA 0.409 4.760 4.350 0.001 0.000 0.215 298 E C 1.030 177.685 176.600 0.092 0.000 0.985 298 E CA 0.106 56.570 56.400 0.106 0.000 1.102 298 E CB -0.374 29.459 29.700 0.223 0.000 1.042 298 E HN 0.462 nan 8.360 nan 0.000 0.480 299 G N 3.120 111.963 108.800 0.071 0.000 2.684 299 G HA2 -0.453 3.508 3.960 0.001 0.000 0.342 299 G HA3 -0.453 3.508 3.960 0.001 0.000 0.342 299 G C 0.801 175.743 174.900 0.070 0.000 1.316 299 G CA 0.791 45.934 45.100 0.071 0.000 0.994 299 G HN 0.391 nan 8.290 nan 0.000 0.541 300 N N 2.703 121.436 118.700 0.056 0.000 2.416 300 N HA 0.279 5.020 4.740 0.001 0.000 0.177 300 N C 1.156 176.691 175.510 0.041 0.000 1.036 300 N CA 1.698 54.769 53.050 0.035 0.000 0.901 300 N CB 0.625 39.108 38.487 -0.006 0.000 0.976 300 N HN 1.367 nan 8.380 nan 0.000 0.444 301 G N 0.415 109.252 108.800 0.062 0.000 2.302 301 G HA2 -0.025 3.936 3.960 0.001 0.000 0.264 301 G HA3 -0.025 3.936 3.960 0.001 0.000 0.264 301 G C -1.754 173.225 174.900 0.131 0.000 1.335 301 G CA -0.876 44.286 45.100 0.105 0.000 0.982 301 G HN 0.061 nan 8.290 nan 0.000 0.473 302 F N 0.851 120.811 119.950 0.018 0.000 2.396 302 F HA 0.716 5.244 4.527 0.002 0.000 0.343 302 F C 0.514 176.311 175.800 -0.004 0.000 1.104 302 F CA -1.180 56.826 58.000 0.009 0.000 1.161 302 F CB 1.425 40.433 39.000 0.013 0.000 1.146 302 F HN 0.489 nan 8.300 nan 0.000 0.522 303 L N 6.464 127.105 121.223 -0.971 0.000 2.485 303 L HA 0.276 4.617 4.340 0.001 0.000 0.279 303 L C -0.327 176.159 176.870 -0.640 0.000 1.124 303 L CA 0.381 54.826 54.840 -0.658 0.000 0.888 303 L CB -0.440 41.308 42.059 -0.518 0.000 1.217 303 L HN 0.722 nan 8.230 nan 0.000 0.464 304 T N 2.553 116.949 114.554 -0.264 0.000 2.892 304 T HA 0.345 4.696 4.350 0.001 0.000 0.311 304 T C 0.994 175.642 174.700 -0.087 0.000 1.033 304 T CA -0.596 61.441 62.100 -0.105 0.000 0.991 304 T CB 0.728 69.611 68.868 0.024 0.000 0.981 304 T HN 0.558 nan 8.240 nan 0.000 0.457 305 L N 1.757 122.928 121.223 -0.087 0.000 2.313 305 L HA 0.126 4.467 4.340 0.001 0.000 0.214 305 L C 1.881 178.720 176.870 -0.051 0.000 1.119 305 L CA 1.032 55.829 54.840 -0.072 0.000 0.809 305 L CB 0.110 42.126 42.059 -0.070 0.000 0.933 305 L HN 0.684 nan 8.230 nan 0.000 0.449 306 D N -0.931 119.439 120.400 -0.050 0.000 2.340 306 D HA -0.064 4.577 4.640 0.001 0.000 0.217 306 D C 1.955 178.234 176.300 -0.035 0.000 1.081 306 D CA 0.054 54.029 54.000 -0.042 0.000 0.842 306 D CB 0.313 41.084 40.800 -0.048 0.000 0.934 306 D HN 0.079 nan 8.370 nan 0.000 0.511 307 L N 0.210 121.412 121.223 -0.035 0.000 1.989 307 L HA -0.167 4.174 4.340 0.001 0.000 0.211 307 L C 1.778 178.626 176.870 -0.037 0.000 1.071 307 L CA 1.371 56.192 54.840 -0.032 0.000 0.749 307 L CB -0.633 41.407 42.059 -0.031 0.000 0.890 307 L HN 0.025 nan 8.230 nan 0.000 0.431 308 V N 0.410 120.303 119.914 -0.034 0.000 2.357 308 V HA -0.340 3.781 4.120 0.001 0.000 0.257 308 V C 2.461 178.531 176.094 -0.040 0.000 1.082 308 V CA 2.273 64.552 62.300 -0.035 0.000 1.078 308 V CB -0.802 31.006 31.823 -0.025 0.000 0.663 308 V HN 0.459 nan 8.190 nan 0.000 0.455 309 E N -0.234 119.945 120.200 -0.036 0.000 2.051 309 E HA -0.053 4.298 4.350 0.001 0.000 0.189 309 E C 2.413 178.989 176.600 -0.040 0.000 0.979 309 E CA 0.673 57.052 56.400 -0.035 0.000 0.803 309 E CB -0.342 29.341 29.700 -0.028 0.000 0.761 309 E HN 0.478 nan 8.360 nan 0.000 0.451 310 R N 0.432 120.908 120.500 -0.040 0.000 2.139 310 R HA -0.123 4.218 4.340 0.001 0.000 0.243 310 R C 2.294 178.558 176.300 -0.059 0.000 1.145 310 R CA 1.642 57.716 56.100 -0.043 0.000 0.976 310 R CB -0.557 29.721 30.300 -0.038 0.000 0.866 310 R HN 0.387 nan 8.270 nan 0.000 0.449 311 I N -3.232 117.294 120.570 -0.073 0.000 3.860 311 I HA 0.125 4.296 4.170 0.001 0.000 0.319 311 I C 1.414 177.441 176.117 -0.150 0.000 1.279 311 I CA 0.207 61.439 61.300 -0.113 0.000 1.220 311 I CB 0.075 38.006 38.000 -0.114 0.000 1.027 311 I HN -0.199 nan 8.210 nan 0.000 0.428 312 T N 2.098 116.592 114.554 -0.101 0.000 2.570 312 T HA -0.187 4.163 4.350 0.001 0.000 0.266 312 T C 1.657 176.305 174.700 -0.087 0.000 1.071 312 T CA 2.257 64.307 62.100 -0.083 0.000 1.172 312 T CB -0.809 68.034 68.868 -0.041 0.000 0.864 312 T HN 0.664 nan 8.240 nan 0.000 0.421 313 G N 1.741 110.509 108.800 -0.054 0.000 3.155 313 G HA2 0.069 4.030 3.960 0.001 0.000 0.213 313 G HA3 0.069 4.030 3.960 0.001 0.000 0.213 313 G C 0.109 174.997 174.900 -0.021 0.000 1.196 313 G CA -0.097 45.010 45.100 0.011 0.000 0.846 313 G HN 0.314 nan 8.290 nan 0.000 0.516 314 Q N 0.290 119.901 119.800 -0.316 0.000 2.347 314 Q HA 0.575 4.915 4.340 0.001 0.000 0.262 314 Q C -1.260 174.298 176.000 -0.738 0.000 0.980 314 Q CA -0.338 55.252 55.803 -0.355 0.000 0.867 314 Q CB 1.440 30.011 28.738 -0.279 0.000 1.242 314 Q HN 0.286 nan 8.270 nan 0.000 0.453 315 F N -0.179 119.769 119.950 -0.003 0.000 2.591 315 F HA 0.309 4.836 4.527 -0.000 0.000 0.309 315 F C 0.337 176.135 175.800 -0.002 0.000 1.098 315 F CA -1.104 56.895 58.000 -0.002 0.000 0.937 315 F CB 1.771 40.770 39.000 -0.002 0.000 1.250 315 F HN 0.202 nan 8.300 nan 0.000 0.447 316 T N -0.786 113.866 114.554 0.163 0.000 2.814 316 T HA 0.548 4.899 4.350 0.001 0.000 0.297 316 T C 0.175 174.937 174.700 0.103 0.000 0.956 316 T CA -0.421 61.737 62.100 0.098 0.000 1.123 316 T CB 0.908 69.810 68.868 0.058 0.000 0.902 316 T HN 0.837 nan 8.240 nan 0.000 0.528 317 E N 0.000 120.243 120.200 0.072 0.000 2.725 317 E HA 0.000 4.351 4.350 0.001 0.000 0.291 317 E CA 0.000 56.430 56.400 0.051 0.000 0.976 317 E CB 0.000 29.721 29.700 0.035 0.000 0.812 317 E HN 0.000 nan 8.360 nan 0.000 0.440