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 1zz0_1_D DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.083 52.037 0.077 0.000 0.836 2 A CB 0.000 19.040 19.000 0.066 0.000 0.831 3 I N 2.838 123.473 120.570 0.109 0.000 2.355 3 I HA 0.466 4.641 4.170 0.008 0.000 0.288 3 I C 1.051 177.264 176.117 0.160 0.000 0.999 3 I CA -0.208 61.174 61.300 0.137 0.000 1.163 3 I CB 0.796 38.880 38.000 0.140 0.000 1.316 3 I HN 0.812 nan 8.210 nan 0.000 0.454 4 G N 5.608 114.510 108.800 0.170 0.000 2.503 4 G HA2 0.298 4.262 3.960 0.008 0.000 0.257 4 G HA3 0.298 4.262 3.960 0.008 0.000 0.257 4 G C -1.543 173.526 174.900 0.283 0.000 1.214 4 G CA -0.027 45.184 45.100 0.184 0.000 0.839 4 G HN 0.548 nan 8.290 nan 0.000 0.559 5 Y N 0.916 121.289 120.300 0.122 0.000 2.396 5 Y HA 0.493 5.046 4.550 0.006 0.000 0.332 5 Y C -1.108 174.883 175.900 0.152 0.000 1.034 5 Y CA -0.967 57.225 58.100 0.153 0.000 1.057 5 Y CB 1.958 40.490 38.460 0.120 0.000 1.220 5 Y HN 0.454 nan 8.280 nan 0.000 0.440 6 V N 6.702 126.388 119.914 -0.380 0.000 2.378 6 V HA 0.338 4.463 4.120 0.008 0.000 0.288 6 V C -0.965 174.922 176.094 -0.345 0.000 1.016 6 V CA -0.751 61.398 62.300 -0.253 0.000 0.840 6 V CB 1.411 33.201 31.823 -0.055 0.000 0.994 6 V HN 0.832 nan 8.190 nan 0.000 0.431 7 W N 5.955 126.967 121.300 -0.480 0.000 2.915 7 W HA 0.519 5.183 4.660 0.006 0.000 0.337 7 W C -1.578 174.645 176.519 -0.493 0.000 1.102 7 W CA -0.635 56.474 57.345 -0.394 0.000 1.224 7 W CB 2.195 31.290 29.460 -0.608 0.000 1.416 7 W HN 0.581 nan 8.180 nan 0.000 0.503 8 N N 2.275 119.942 118.700 -1.721 0.000 2.258 8 N HA 0.157 4.901 4.740 0.008 0.000 0.299 8 N C 0.595 175.039 175.510 -1.776 0.000 1.047 8 N CA -0.110 51.993 53.050 -1.579 0.000 0.814 8 N CB 2.330 39.771 38.487 -1.743 0.000 1.413 8 N HN 0.414 nan 8.380 nan 0.000 0.478 9 T N 2.845 116.795 114.554 -1.008 0.000 2.721 9 T HA -0.132 4.222 4.350 0.008 0.000 0.268 9 T C 1.826 176.014 174.700 -0.853 0.000 1.038 9 T CA 1.257 62.943 62.100 -0.690 0.000 1.145 9 T CB -0.058 68.495 68.868 -0.524 0.000 0.858 9 T HN 0.508 nan 8.240 nan 0.000 0.459 10 L N -0.411 120.242 121.223 -0.950 0.000 2.275 10 L HA -0.041 4.304 4.340 0.008 0.000 0.215 10 L C 2.165 178.826 176.870 -0.349 0.000 1.119 10 L CA 1.135 55.545 54.840 -0.717 0.000 0.790 10 L CB -0.654 41.069 42.059 -0.559 0.000 0.919 10 L HN 0.452 nan 8.230 nan 0.000 0.443 11 Y N -0.111 119.806 120.300 -0.639 0.000 2.315 11 Y HA -0.203 4.351 4.550 0.007 0.000 0.288 11 Y C 2.456 178.216 175.900 -0.234 0.000 1.154 11 Y CA 0.299 58.072 58.100 -0.546 0.000 1.229 11 Y CB -0.336 37.522 38.460 -1.003 0.000 0.980 11 Y HN 0.254 nan 8.280 nan 0.000 0.540 12 G N -1.772 107.053 108.800 0.041 0.000 2.813 12 G HA2 -0.137 3.827 3.960 0.008 0.000 0.209 12 G HA3 -0.137 3.827 3.960 0.008 0.000 0.209 12 G C 0.496 175.641 174.900 0.408 0.000 1.150 12 G CA -0.046 45.287 45.100 0.388 0.000 0.785 12 G HN 0.365 nan 8.290 nan 0.000 0.535 13 W N 0.521 121.788 121.300 -0.055 0.000 3.132 13 W HA 0.433 5.098 4.660 0.009 0.000 0.364 13 W C 0.393 176.847 176.519 -0.108 0.000 1.129 13 W CA -1.503 55.796 57.345 -0.077 0.000 1.815 13 W CB -0.397 29.017 29.460 -0.077 0.000 1.099 13 W HN -0.221 nan 8.180 nan 0.000 0.605 14 V N 2.563 122.526 119.914 0.081 0.000 2.617 14 V HA -0.131 3.994 4.120 0.008 0.000 0.304 14 V C 0.342 176.372 176.094 -0.108 0.000 1.040 14 V CA 0.579 62.865 62.300 -0.023 0.000 1.149 14 V CB 0.362 32.151 31.823 -0.056 0.000 0.914 14 V HN -0.119 nan 8.190 nan 0.000 0.487 15 D N 3.736 124.077 120.400 -0.099 0.000 2.396 15 D HA 0.196 4.840 4.640 0.008 0.000 0.225 15 D C 1.085 177.283 176.300 -0.171 0.000 1.121 15 D CA -0.155 53.767 54.000 -0.131 0.000 0.853 15 D CB 1.404 42.154 40.800 -0.085 0.000 1.043 15 D HN 0.710 nan 8.370 nan 0.000 0.500 16 T N 0.671 115.084 114.554 -0.235 0.000 3.107 16 T HA 0.452 4.806 4.350 0.008 0.000 0.249 16 T C 1.159 175.710 174.700 -0.248 0.000 1.096 16 T CA 0.152 62.040 62.100 -0.353 0.000 1.012 16 T CB -0.037 68.528 68.868 -0.506 0.000 0.977 16 T HN 0.577 nan 8.240 nan 0.000 0.527 17 G N 1.739 110.469 108.800 -0.117 0.000 2.527 17 G HA2 -0.180 3.785 3.960 0.008 0.000 0.227 17 G HA3 -0.180 3.785 3.960 0.008 0.000 0.227 17 G C 0.483 175.395 174.900 0.019 0.000 1.291 17 G CA 0.446 45.520 45.100 -0.043 0.000 0.904 17 G HN 1.053 nan 8.290 nan 0.000 0.577 18 T N -1.747 112.836 114.554 0.048 0.000 3.170 18 T HA 0.626 4.981 4.350 0.008 0.000 0.288 18 T C 1.075 175.829 174.700 0.090 0.000 0.992 18 T CA 1.173 63.314 62.100 0.068 0.000 0.909 18 T CB 0.555 69.449 68.868 0.043 0.000 1.133 18 T HN 1.914 nan 8.240 nan 0.000 0.530 19 G N 0.520 109.399 108.800 0.131 0.000 2.522 19 G HA2 0.484 4.448 3.960 0.008 0.000 0.304 19 G HA3 0.484 4.448 3.960 0.008 0.000 0.304 19 G C 0.580 175.548 174.900 0.113 0.000 1.210 19 G CA -0.425 44.751 45.100 0.125 0.000 0.960 19 G HN 0.175 nan 8.290 nan 0.000 0.497 20 S N -0.980 114.710 115.700 -0.017 0.000 2.406 20 S HA 0.041 4.516 4.470 0.008 0.000 0.224 20 S C 1.249 175.527 174.600 -0.537 0.000 1.030 20 S CA 1.051 59.143 58.200 -0.179 0.000 0.958 20 S CB -0.065 63.081 63.200 -0.090 0.000 0.811 20 S HN 0.439 nan 8.310 nan 0.000 0.489 21 L N -0.878 120.165 121.223 -0.300 0.000 2.208 21 L HA 0.586 4.930 4.340 0.008 0.000 0.133 21 L C 0.242 177.213 176.870 0.169 0.000 1.385 21 L CA 0.595 55.330 54.840 -0.176 0.000 1.030 21 L CB -0.644 41.365 42.059 -0.083 0.000 2.075 21 L HN 0.078 nan 8.230 nan 0.000 0.482 22 A N 1.070 123.945 122.820 0.092 0.000 2.267 22 A HA 0.732 5.057 4.320 0.008 0.000 0.271 22 A C 0.429 178.077 177.584 0.107 0.000 1.131 22 A CA 0.125 52.225 52.037 0.105 0.000 0.818 22 A CB -0.553 18.482 19.000 0.058 0.000 1.118 22 A HN 0.705 nan 8.150 nan 0.000 0.501 23 A N -0.566 122.304 122.820 0.084 0.000 2.448 23 A HA 0.519 4.843 4.320 0.008 0.000 0.239 23 A C 0.915 178.531 177.584 0.053 0.000 1.080 23 A CA 0.200 52.279 52.037 0.070 0.000 0.779 23 A CB -0.623 18.404 19.000 0.046 0.000 1.026 23 A HN 2.247 nan 8.150 nan 0.000 0.499 24 A N 0.978 123.828 122.820 0.049 0.000 2.520 24 A HA 0.407 4.732 4.320 0.008 0.000 0.235 24 A C 0.333 177.934 177.584 0.027 0.000 1.065 24 A CA 0.693 52.752 52.037 0.035 0.000 0.764 24 A CB -0.331 18.689 19.000 0.034 0.000 1.002 24 A HN 1.053 nan 8.150 nan 0.000 0.502 25 N N 0.943 119.656 118.700 0.022 0.000 2.542 25 N HA 0.338 5.083 4.740 0.008 0.000 0.288 25 N C 0.058 175.577 175.510 0.015 0.000 1.115 25 N CA -0.644 52.417 53.050 0.018 0.000 0.924 25 N CB 1.018 39.515 38.487 0.017 0.000 1.526 25 N HN 0.402 nan 8.380 nan 0.000 0.515 26 L N 2.854 124.084 121.223 0.013 0.000 2.109 26 L HA 0.147 4.492 4.340 0.008 0.000 0.207 26 L C 1.710 178.585 176.870 0.010 0.000 1.086 26 L CA 1.966 56.813 54.840 0.011 0.000 0.760 26 L CB -0.639 41.426 42.059 0.010 0.000 0.910 26 L HN 0.735 nan 8.230 nan 0.000 0.437 27 T N -0.247 114.313 114.554 0.009 0.000 2.788 27 T HA -0.106 4.249 4.350 0.008 0.000 0.268 27 T C 1.757 176.463 174.700 0.009 0.000 1.044 27 T CA 1.168 63.273 62.100 0.008 0.000 1.139 27 T CB -0.360 68.513 68.868 0.008 0.000 0.867 27 T HN 0.463 nan 8.240 nan 0.000 0.454 28 A N 0.874 123.700 122.820 0.010 0.000 2.168 28 A HA 0.057 4.382 4.320 0.008 0.000 0.215 28 A C 0.975 178.565 177.584 0.010 0.000 1.152 28 A CA 0.274 52.317 52.037 0.010 0.000 0.716 28 A CB -0.181 18.826 19.000 0.011 0.000 0.794 28 A HN 0.325 nan 8.150 nan 0.000 0.465 29 R N -1.966 118.540 120.500 0.010 0.000 3.525 29 R HA -0.172 4.173 4.340 0.008 0.000 0.276 29 R C -0.735 175.572 176.300 0.011 0.000 1.116 29 R CA 1.112 57.218 56.100 0.010 0.000 0.745 29 R CB -2.761 27.544 30.300 0.009 0.000 1.185 29 R HN 0.662 nan 8.270 nan 0.000 0.454 30 M N 0.867 120.474 119.600 0.013 0.000 2.151 30 M HA 0.166 4.650 4.480 0.008 0.000 0.349 30 M C 0.913 177.222 176.300 0.016 0.000 1.284 30 M CA 0.200 55.508 55.300 0.014 0.000 1.173 30 M CB 1.316 33.924 32.600 0.015 0.000 1.469 30 M HN 0.028 nan 8.290 nan 0.000 0.439 31 Q N 4.317 124.126 119.800 0.015 0.000 2.337 31 Q HA 0.222 4.566 4.340 0.008 0.000 0.270 31 Q C -2.152 173.862 176.000 0.022 0.000 1.002 31 Q CA -1.426 54.388 55.803 0.017 0.000 0.888 31 Q CB 0.697 29.444 28.738 0.015 0.000 1.222 31 Q HN 0.296 nan 8.270 nan 0.000 0.400 32 P HA 0.091 nan 4.420 nan 0.000 0.269 32 P C -0.954 176.368 177.300 0.038 0.000 1.217 32 P CA 0.241 63.361 63.100 0.034 0.000 0.783 32 P CB 0.473 32.192 31.700 0.031 0.000 0.898 33 I N -0.187 120.415 120.570 0.053 0.000 2.827 33 I HA 0.142 4.317 4.170 0.008 0.000 0.298 33 I C 0.918 177.094 176.117 0.098 0.000 1.235 33 I CA -0.396 60.942 61.300 0.063 0.000 1.021 33 I CB 2.030 40.063 38.000 0.054 0.000 1.259 33 I HN 0.160 nan 8.210 nan 0.000 0.427 34 S N 2.729 118.500 115.700 0.119 0.000 2.368 34 S HA -0.075 4.400 4.470 0.008 0.000 0.225 34 S C 0.008 174.762 174.600 0.257 0.000 1.030 34 S CA 1.296 59.612 58.200 0.193 0.000 0.999 34 S CB -0.287 63.055 63.200 0.236 0.000 0.844 34 S HN 0.552 nan 8.310 nan 0.000 0.459 35 H N 0.247 119.301 119.070 -0.027 0.000 2.718 35 H HA 0.407 4.967 4.556 0.008 0.000 0.295 35 H C -0.200 175.186 175.328 0.097 0.000 1.051 35 H CA -0.959 55.066 56.048 -0.039 0.000 1.260 35 H CB 0.073 29.700 29.762 -0.225 0.000 1.403 35 H HN 0.333 nan 8.280 nan 0.000 0.488 36 H N 2.178 121.330 119.070 0.137 0.000 2.929 36 H HA -0.026 4.535 4.556 0.008 0.000 0.358 36 H C 1.033 176.400 175.328 0.065 0.000 1.111 36 H CA -0.016 56.067 56.048 0.059 0.000 1.409 36 H CB 0.912 30.668 29.762 -0.010 0.000 1.373 36 H HN 0.671 nan 8.280 nan 0.000 0.610 37 L N 2.910 123.988 121.223 -0.242 0.000 2.064 37 L HA -0.277 4.068 4.340 0.008 0.000 0.216 37 L C 2.053 179.042 176.870 0.199 0.000 1.077 37 L CA 1.754 56.557 54.840 -0.060 0.000 0.766 37 L CB -0.511 41.407 42.059 -0.236 0.000 0.890 37 L HN 0.804 nan 8.230 nan 0.000 0.435 38 A N -2.252 120.731 122.820 0.271 0.000 2.415 38 A HA 0.034 4.358 4.320 0.008 0.000 0.248 38 A C 0.402 178.059 177.584 0.122 0.000 1.299 38 A CA -0.363 51.769 52.037 0.159 0.000 0.899 38 A CB -0.864 17.775 19.000 -0.601 0.000 0.997 38 A HN 0.431 nan 8.150 nan 0.000 0.506 39 H N 1.261 120.394 119.070 0.106 0.000 3.038 39 H HA 0.083 4.644 4.556 0.008 0.000 0.338 39 H C -1.279 174.076 175.328 0.045 0.000 1.041 39 H CA -0.167 55.889 56.048 0.013 0.000 1.394 39 H CB 1.024 30.772 29.762 -0.023 0.000 1.357 39 H HN 0.112 nan 8.280 nan 0.000 0.600 40 P HA -0.108 nan 4.420 nan 0.000 0.230 40 P C 0.532 177.959 177.300 0.211 0.000 1.158 40 P CA 0.762 63.868 63.100 0.009 0.000 0.769 40 P CB 0.393 32.069 31.700 -0.040 0.000 0.807 41 D N -0.346 120.295 120.400 0.401 0.000 2.182 41 D HA -0.111 4.534 4.640 0.008 0.000 0.201 41 D C 1.845 178.280 176.300 0.226 0.000 0.986 41 D CA 1.321 55.529 54.000 0.348 0.000 0.847 41 D CB -0.814 40.218 40.800 0.387 0.000 0.942 41 D HN 0.140 nan 8.370 nan 0.000 0.467 42 T N 0.533 115.214 114.554 0.212 0.000 2.674 42 T HA -0.134 4.220 4.350 0.008 0.000 0.265 42 T C 1.874 176.662 174.700 0.146 0.000 1.039 42 T CA 1.212 63.391 62.100 0.132 0.000 1.150 42 T CB -0.052 68.884 68.868 0.112 0.000 0.864 42 T HN 0.184 nan 8.240 nan 0.000 0.427 43 K N 0.439 120.959 120.400 0.200 0.000 2.155 43 K HA 0.051 4.376 4.320 0.008 0.000 0.203 43 K C 2.506 179.199 176.600 0.154 0.000 1.052 43 K CA 0.617 57.063 56.287 0.265 0.000 0.948 43 K CB -0.068 32.630 32.500 0.330 0.000 0.728 43 K HN 0.148 nan 8.250 nan 0.000 0.448 44 R N 1.420 122.026 120.500 0.177 0.000 2.096 44 R HA -0.084 4.261 4.340 0.008 0.000 0.235 44 R C 2.026 178.283 176.300 -0.073 0.000 1.127 44 R CA 1.292 57.391 56.100 -0.002 0.000 0.968 44 R CB 0.059 30.498 30.300 0.231 0.000 0.861 44 R HN 0.069 nan 8.270 nan 0.000 0.440 45 R N -0.489 120.023 120.500 0.020 0.000 2.120 45 R HA -0.155 4.190 4.340 0.008 0.000 0.234 45 R C 2.119 178.392 176.300 -0.046 0.000 1.123 45 R CA 1.378 57.465 56.100 -0.023 0.000 0.975 45 R CB -0.426 29.872 30.300 -0.004 0.000 0.866 45 R HN 0.227 nan 8.270 nan 0.000 0.446 46 F N 1.214 121.043 119.950 -0.201 0.000 2.084 46 F HA -0.195 4.337 4.527 0.007 0.000 0.296 46 F C 2.292 177.928 175.800 -0.273 0.000 1.111 46 F CA 1.925 59.773 58.000 -0.253 0.000 1.224 46 F CB -1.083 37.812 39.000 -0.175 0.000 0.991 46 F HN 0.047 nan 8.300 nan 0.000 0.471 47 H N 0.352 119.103 119.070 -0.533 0.000 2.319 47 H HA -0.156 4.405 4.556 0.007 0.000 0.297 47 H C 2.053 177.104 175.328 -0.461 0.000 1.097 47 H CA 2.585 58.207 56.048 -0.709 0.000 1.285 47 H CB -0.471 28.421 29.762 -1.450 0.000 1.368 47 H HN 0.468 nan 8.280 nan 0.000 0.495 48 E N -0.525 119.361 120.200 -0.523 0.000 2.153 48 E HA -0.133 4.222 4.350 0.008 0.000 0.194 48 E C 2.168 178.560 176.600 -0.347 0.000 0.988 48 E CA 0.917 57.052 56.400 -0.441 0.000 0.811 48 E CB -0.103 29.469 29.700 -0.213 0.000 0.746 48 E HN 0.373 nan 8.360 nan 0.000 0.466 49 L N 0.685 121.741 121.223 -0.279 0.000 2.093 49 L HA -0.129 4.216 4.340 0.008 0.000 0.208 49 L C 2.180 178.898 176.870 -0.253 0.000 1.085 49 L CA 1.191 55.882 54.840 -0.249 0.000 0.755 49 L CB -0.211 41.667 42.059 -0.302 0.000 0.904 49 L HN -0.081 nan 8.230 nan 0.000 0.435 50 V N -1.092 118.637 119.914 -0.308 0.000 2.332 50 V HA -0.378 3.746 4.120 0.008 0.000 0.248 50 V C 2.574 178.444 176.094 -0.374 0.000 1.055 50 V CA 1.967 64.047 62.300 -0.368 0.000 1.038 50 V CB -0.836 30.651 31.823 -0.559 0.000 0.651 50 V HN 0.634 nan 8.190 nan 0.000 0.450 51 C N -0.045 118.993 119.300 -0.438 0.000 2.489 51 C HA 0.043 4.508 4.460 0.008 0.000 0.279 51 C C 3.054 177.917 174.990 -0.213 0.000 1.266 51 C CA 0.614 59.432 59.018 -0.332 0.000 1.707 51 C CB -1.258 26.252 27.740 -0.384 0.000 2.059 51 C HN 0.613 nan 8.230 nan 0.000 0.481 52 A N 1.238 123.939 122.820 -0.197 0.000 2.014 52 A HA -0.098 4.227 4.320 0.008 0.000 0.218 52 A C 2.222 179.751 177.584 -0.091 0.000 1.163 52 A CA 1.892 53.855 52.037 -0.124 0.000 0.652 52 A CB -0.676 18.259 19.000 -0.108 0.000 0.808 52 A HN 0.706 nan 8.150 nan 0.000 0.449 53 S N -1.789 113.849 115.700 -0.104 0.000 2.515 53 S HA 0.299 4.774 4.470 0.008 0.000 0.231 53 S C 1.575 176.149 174.600 -0.043 0.000 0.987 53 S CA 1.204 59.367 58.200 -0.060 0.000 0.936 53 S CB -0.425 62.735 63.200 -0.068 0.000 0.766 53 S HN 1.874 nan 8.310 nan 0.000 0.528 54 G N 0.771 109.528 108.800 -0.070 0.000 2.176 54 G HA2 -0.294 3.670 3.960 0.008 0.000 0.253 54 G HA3 -0.294 3.670 3.960 0.008 0.000 0.253 54 G C 0.880 175.767 174.900 -0.021 0.000 0.979 54 G CA 0.392 45.460 45.100 -0.054 0.000 0.641 54 G HN 0.424 nan 8.290 nan 0.000 0.530 55 Q N -0.386 119.395 119.800 -0.032 0.000 2.181 55 Q HA -0.038 4.307 4.340 0.008 0.000 0.205 55 Q C 2.589 178.539 176.000 -0.083 0.000 0.980 55 Q CA 1.499 57.305 55.803 0.004 0.000 0.862 55 Q CB -0.217 28.464 28.738 -0.094 0.000 0.905 55 Q HN 0.740 nan 8.270 nan 0.000 0.429 56 I N 1.649 122.104 120.570 -0.192 0.000 2.423 56 I HA -0.224 3.951 4.170 0.008 0.000 0.254 56 I C 1.614 177.637 176.117 -0.157 0.000 1.151 56 I CA 1.311 62.477 61.300 -0.223 0.000 1.421 56 I CB -0.039 37.827 38.000 -0.223 0.000 1.079 56 I HN 0.039 nan 8.210 nan 0.000 0.431 57 E N -0.381 119.695 120.200 -0.206 0.000 2.338 57 E HA -0.142 4.212 4.350 0.008 0.000 0.197 57 E C 1.460 177.818 176.600 -0.403 0.000 1.007 57 E CA 0.920 57.133 56.400 -0.312 0.000 0.849 57 E CB -0.415 29.035 29.700 -0.416 0.000 0.774 57 E HN 0.659 nan 8.360 nan 0.000 0.506 58 H N -0.736 118.306 119.070 -0.046 0.000 2.586 58 H HA 0.277 4.837 4.556 0.007 0.000 0.273 58 H C 0.529 175.850 175.328 -0.012 0.000 0.997 58 H CA 0.012 56.046 56.048 -0.025 0.000 1.177 58 H CB 0.828 30.573 29.762 -0.028 0.000 1.471 58 H HN 0.013 nan 8.280 nan 0.000 0.538 59 L N 0.580 121.825 121.223 0.036 0.000 2.322 59 L HA 0.333 4.677 4.340 0.008 0.000 0.269 59 L C 0.219 177.130 176.870 0.069 0.000 1.012 59 L CA -0.644 54.230 54.840 0.056 0.000 0.815 59 L CB 2.005 44.063 42.059 -0.002 0.000 1.295 59 L HN -0.154 nan 8.230 nan 0.000 0.438 60 T N 2.191 116.812 114.554 0.111 0.000 2.853 60 T HA 0.313 4.668 4.350 0.008 0.000 0.317 60 T C -2.496 172.290 174.700 0.144 0.000 1.059 60 T CA -1.230 60.931 62.100 0.102 0.000 0.954 60 T CB 0.936 69.858 68.868 0.089 0.000 0.994 60 T HN 0.211 nan 8.240 nan 0.000 0.479 61 P HA 0.195 nan 4.420 nan 0.000 0.267 61 P C -0.677 176.685 177.300 0.104 0.000 1.205 61 P CA -0.339 62.866 63.100 0.175 0.000 0.765 61 P CB 0.375 32.168 31.700 0.154 0.000 0.828 62 I N 2.551 123.172 120.570 0.085 0.000 2.406 62 I HA 0.376 4.550 4.170 0.008 0.000 0.290 62 I C 0.477 176.587 176.117 -0.012 0.000 0.999 62 I CA -1.529 59.791 61.300 0.033 0.000 1.124 62 I CB 1.111 39.132 38.000 0.036 0.000 1.289 62 I HN 0.293 nan 8.210 nan 0.000 0.441 63 A N 5.276 128.077 122.820 -0.032 0.000 2.450 63 A HA 0.631 4.956 4.320 0.008 0.000 0.255 63 A C 0.631 178.161 177.584 -0.089 0.000 1.096 63 A CA -0.284 51.707 52.037 -0.077 0.000 0.778 63 A CB 0.195 19.151 19.000 -0.074 0.000 1.031 63 A HN 0.883 nan 8.150 nan 0.000 0.494 64 A N 2.406 125.147 122.820 -0.131 0.000 2.445 64 A HA 0.502 4.826 4.320 0.008 0.000 0.242 64 A C 0.112 177.631 177.584 -0.109 0.000 1.075 64 A CA -0.030 51.941 52.037 -0.109 0.000 0.777 64 A CB 0.069 18.988 19.000 -0.134 0.000 1.013 64 A HN 1.090 nan 8.150 nan 0.000 0.493 65 V N 1.458 121.319 119.914 -0.088 0.000 2.628 65 V HA 0.578 4.703 4.120 0.008 0.000 0.306 65 V C 0.748 176.798 176.094 -0.074 0.000 1.045 65 V CA -0.373 61.877 62.300 -0.084 0.000 0.905 65 V CB 1.601 33.378 31.823 -0.077 0.000 0.997 65 V HN 1.232 nan 8.190 nan 0.000 0.436 66 A N 3.402 126.181 122.820 -0.068 0.000 2.524 66 A HA 0.610 4.935 4.320 0.008 0.000 0.250 66 A C 0.745 178.299 177.584 -0.049 0.000 1.078 66 A CA 0.387 52.394 52.037 -0.051 0.000 0.761 66 A CB -0.062 18.909 19.000 -0.049 0.000 1.012 66 A HN 1.452 nan 8.150 nan 0.000 0.500 67 A N 3.441 126.234 122.820 -0.045 0.000 2.511 67 A HA 0.498 4.823 4.320 0.008 0.000 0.242 67 A C 1.094 178.638 177.584 -0.067 0.000 1.069 67 A CA 0.474 52.472 52.037 -0.064 0.000 0.763 67 A CB -0.382 18.573 19.000 -0.076 0.000 1.001 67 A HN 1.496 nan 8.150 nan 0.000 0.498 68 T N 0.032 114.552 114.554 -0.056 0.000 2.816 68 T HA 0.268 4.623 4.350 0.008 0.000 0.282 68 T C 0.478 175.129 174.700 -0.082 0.000 0.993 68 T CA 0.102 62.171 62.100 -0.051 0.000 0.994 68 T CB 0.523 69.378 68.868 -0.023 0.000 1.025 68 T HN 0.516 nan 8.240 nan 0.000 0.529 69 D N 0.870 121.228 120.400 -0.071 0.000 2.123 69 D HA -0.074 4.571 4.640 0.008 0.000 0.196 69 D C 2.357 178.615 176.300 -0.069 0.000 0.992 69 D CA 1.861 55.810 54.000 -0.086 0.000 0.833 69 D CB -0.862 39.905 40.800 -0.055 0.000 0.954 69 D HN 0.742 nan 8.370 nan 0.000 0.455 70 A N 0.970 123.770 122.820 -0.034 0.000 1.940 70 A HA -0.212 4.113 4.320 0.008 0.000 0.219 70 A C 1.809 179.392 177.584 -0.001 0.000 1.176 70 A CA 1.848 53.879 52.037 -0.010 0.000 0.631 70 A CB -0.433 18.572 19.000 0.008 0.000 0.814 70 A HN 0.071 nan 8.150 nan 0.000 0.446 71 D N -0.050 120.349 120.400 -0.002 0.000 2.097 71 D HA -0.103 4.541 4.640 0.008 0.000 0.195 71 D C 1.843 178.125 176.300 -0.030 0.000 0.989 71 D CA 1.222 55.235 54.000 0.022 0.000 0.827 71 D CB -0.345 40.456 40.800 0.002 0.000 0.966 71 D HN 0.527 nan 8.370 nan 0.000 0.456 72 I N 0.547 121.040 120.570 -0.128 0.000 2.315 72 I HA -0.193 3.981 4.170 0.008 0.000 0.248 72 I C 2.218 178.282 176.117 -0.088 0.000 1.117 72 I CA 0.580 61.748 61.300 -0.220 0.000 1.404 72 I CB -0.050 37.614 38.000 -0.561 0.000 1.071 72 I HN -0.057 nan 8.210 nan 0.000 0.419 73 L N 0.216 121.400 121.223 -0.066 0.000 2.465 73 L HA -0.084 4.261 4.340 0.008 0.000 0.224 73 L C 2.450 179.322 176.870 0.002 0.000 1.145 73 L CA 0.656 55.483 54.840 -0.022 0.000 0.834 73 L CB -0.468 41.581 42.059 -0.016 0.000 0.944 73 L HN 0.188 nan 8.230 nan 0.000 0.451 74 R N -0.068 120.436 120.500 0.007 0.000 2.189 74 R HA -0.055 4.289 4.340 0.008 0.000 0.223 74 R C 1.921 178.193 176.300 -0.047 0.000 1.092 74 R CA 1.201 57.315 56.100 0.023 0.000 0.989 74 R CB -0.118 30.232 30.300 0.084 0.000 0.876 74 R HN 0.336 nan 8.270 nan 0.000 0.457 75 A N -0.517 122.237 122.820 -0.110 0.000 2.211 75 A HA 0.168 4.493 4.320 0.008 0.000 0.208 75 A C 0.002 177.290 177.584 -0.493 0.000 1.250 75 A CA 0.025 51.862 52.037 -0.333 0.000 0.935 75 A CB 0.329 19.119 19.000 -0.351 0.000 0.982 75 A HN 0.209 nan 8.150 nan 0.000 0.490 76 H N -0.681 118.322 119.070 -0.111 0.000 2.865 76 H HA 0.514 5.075 4.556 0.008 0.000 0.372 76 H C 0.124 175.140 175.328 -0.521 0.000 1.173 76 H CA -0.059 55.778 56.048 -0.353 0.000 1.147 76 H CB 1.728 31.495 29.762 0.010 0.000 1.805 76 H HN 0.241 nan 8.280 nan 0.000 0.553 77 S N 0.535 115.884 115.700 -0.585 0.000 2.585 77 S HA 0.295 4.770 4.470 0.008 0.000 0.273 77 S C 1.376 175.965 174.600 -0.019 0.000 1.339 77 S CA -0.246 57.807 58.200 -0.244 0.000 1.028 77 S CB 1.392 64.504 63.200 -0.146 0.000 0.906 77 S HN 0.816 nan 8.310 nan 0.000 0.528 78 A N 2.490 125.316 122.820 0.010 0.000 1.933 78 A HA 0.143 4.468 4.320 0.008 0.000 0.218 78 A C 2.390 179.989 177.584 0.024 0.000 1.175 78 A CA 1.709 53.754 52.037 0.014 0.000 0.628 78 A CB -1.624 17.386 19.000 0.016 0.000 0.814 78 A HN 1.379 nan 8.150 nan 0.000 0.444 79 A N -0.852 121.991 122.820 0.039 0.000 1.902 79 A HA -0.190 4.135 4.320 0.008 0.000 0.217 79 A C 2.053 179.681 177.584 0.073 0.000 1.181 79 A CA 2.174 54.238 52.037 0.046 0.000 0.623 79 A CB -0.831 18.198 19.000 0.049 0.000 0.818 79 A HN 0.753 nan 8.150 nan 0.000 0.443 80 H N -0.452 118.613 119.070 -0.010 0.000 2.326 80 H HA -0.072 4.488 4.556 0.007 0.000 0.301 80 H C 1.771 177.130 175.328 0.051 0.000 1.081 80 H CA 1.733 57.781 56.048 -0.000 0.000 1.334 80 H CB -0.419 29.333 29.762 -0.017 0.000 1.385 80 H HN 0.292 nan 8.280 nan 0.000 0.504 81 L N 0.813 121.990 121.223 -0.077 0.000 2.012 81 L HA -0.117 4.228 4.340 0.008 0.000 0.210 81 L C 2.306 179.140 176.870 -0.059 0.000 1.073 81 L CA 2.412 57.209 54.840 -0.072 0.000 0.748 81 L CB -0.966 41.061 42.059 -0.052 0.000 0.891 81 L HN 0.361 nan 8.230 nan 0.000 0.431 82 E N -0.227 119.953 120.200 -0.035 0.000 2.110 82 E HA -0.262 4.092 4.350 0.008 0.000 0.193 82 E C 2.068 178.647 176.600 -0.035 0.000 0.988 82 E CA 1.479 57.864 56.400 -0.025 0.000 0.804 82 E CB -0.486 29.209 29.700 -0.009 0.000 0.745 82 E HN 0.597 nan 8.360 nan 0.000 0.458 83 N N -0.766 117.909 118.700 -0.041 0.000 2.166 83 N HA -0.127 4.618 4.740 0.008 0.000 0.186 83 N C 1.471 176.932 175.510 -0.081 0.000 1.019 83 N CA 1.549 54.576 53.050 -0.039 0.000 0.856 83 N CB -0.066 38.423 38.487 0.003 0.000 0.993 83 N HN 0.163 nan 8.380 nan 0.000 0.426 84 M N 0.533 120.039 119.600 -0.155 0.000 2.175 84 M HA -0.038 4.446 4.480 0.008 0.000 0.264 84 M C 1.760 178.006 176.300 -0.091 0.000 1.063 84 M CA 1.187 56.378 55.300 -0.182 0.000 1.119 84 M CB -0.819 31.585 32.600 -0.327 0.000 1.377 84 M HN 0.150 nan 8.290 nan 0.000 0.415 85 K N -0.228 120.142 120.400 -0.049 0.000 2.063 85 K HA -0.179 4.146 4.320 0.008 0.000 0.208 85 K C 2.195 178.777 176.600 -0.030 0.000 1.048 85 K CA 1.311 57.583 56.287 -0.026 0.000 0.928 85 K CB -0.268 32.222 32.500 -0.015 0.000 0.713 85 K HN 0.260 nan 8.250 nan 0.000 0.442 86 R N 1.075 121.555 120.500 -0.032 0.000 2.080 86 R HA -0.146 4.199 4.340 0.008 0.000 0.236 86 R C 2.098 178.381 176.300 -0.029 0.000 1.137 86 R CA 1.615 57.699 56.100 -0.026 0.000 0.943 86 R CB -0.268 30.019 30.300 -0.021 0.000 0.846 86 R HN 0.002 nan 8.270 nan 0.000 0.431 87 V N 0.293 120.183 119.914 -0.040 0.000 2.427 87 V HA -0.192 3.933 4.120 0.008 0.000 0.248 87 V C 2.371 178.441 176.094 -0.040 0.000 1.051 87 V CA 1.985 64.261 62.300 -0.040 0.000 1.048 87 V CB -0.425 31.367 31.823 -0.051 0.000 0.666 87 V HN 0.438 nan 8.190 nan 0.000 0.456 88 S N 0.186 115.858 115.700 -0.046 0.000 2.399 88 S HA -0.210 4.265 4.470 0.008 0.000 0.231 88 S C 1.725 176.309 174.600 -0.025 0.000 1.022 88 S CA 1.963 60.140 58.200 -0.039 0.000 0.983 88 S CB -0.630 62.547 63.200 -0.039 0.000 0.803 88 S HN 0.755 nan 8.310 nan 0.000 0.480 89 N N 0.074 118.761 118.700 -0.022 0.000 2.459 89 N HA 0.132 4.876 4.740 0.008 0.000 0.181 89 N C -0.143 175.358 175.510 -0.014 0.000 1.046 89 N CA -0.002 53.039 53.050 -0.016 0.000 0.904 89 N CB -0.057 38.421 38.487 -0.014 0.000 0.964 89 N HN 0.376 nan 8.380 nan 0.000 0.444 90 L N 1.400 122.613 121.223 -0.017 0.000 2.461 90 L HA 0.077 4.422 4.340 0.008 0.000 0.272 90 L C -1.158 175.703 176.870 -0.014 0.000 1.197 90 L CA -1.421 53.410 54.840 -0.015 0.000 0.836 90 L CB 0.284 42.333 42.059 -0.016 0.000 1.105 90 L HN -0.090 nan 8.230 nan 0.000 0.477 91 P HA -0.150 nan 4.420 nan 0.000 0.216 91 P C 0.958 178.250 177.300 -0.013 0.000 1.150 91 P CA 1.448 64.542 63.100 -0.010 0.000 0.843 91 P CB 0.009 31.703 31.700 -0.009 0.000 0.787 92 T N -5.541 109.005 114.554 -0.015 0.000 3.182 92 T HA 0.563 4.918 4.350 0.008 0.000 0.277 92 T C 0.947 175.634 174.700 -0.023 0.000 1.013 92 T CA 0.082 62.171 62.100 -0.018 0.000 0.900 92 T CB -0.222 68.636 68.868 -0.017 0.000 1.098 92 T HN 0.331 nan 8.240 nan 0.000 0.543 93 G N 0.549 109.335 108.800 -0.023 0.000 2.528 93 G HA2 0.311 4.275 3.960 0.008 0.000 0.262 93 G HA3 0.311 4.275 3.960 0.008 0.000 0.262 93 G C 0.142 175.026 174.900 -0.027 0.000 1.200 93 G CA -0.329 44.753 45.100 -0.029 0.000 0.951 93 G HN 1.926 nan 8.290 nan 0.000 0.566 94 G N -1.603 107.179 108.800 -0.031 0.000 2.320 94 G HA2 0.549 4.513 3.960 0.008 0.000 0.297 94 G HA3 0.549 4.513 3.960 0.008 0.000 0.297 94 G C -1.115 173.770 174.900 -0.024 0.000 1.344 94 G CA 0.617 45.703 45.100 -0.023 0.000 0.851 94 G HN 1.378 nan 8.290 nan 0.000 0.567 95 D N -0.828 119.566 120.400 -0.012 0.000 2.423 95 D HA 0.402 5.047 4.640 0.008 0.000 0.238 95 D C 1.834 178.129 176.300 -0.009 0.000 1.142 95 D CA 0.959 54.956 54.000 -0.004 0.000 0.884 95 D CB 1.005 41.811 40.800 0.010 0.000 1.199 95 D HN 0.569 nan 8.370 nan 0.000 0.438 96 T N 0.122 114.672 114.554 -0.007 0.000 3.086 96 T HA 0.405 4.759 4.350 0.008 0.000 0.250 96 T C 1.237 175.941 174.700 0.007 0.000 1.074 96 T CA 0.264 62.358 62.100 -0.010 0.000 0.988 96 T CB 0.504 69.358 68.868 -0.023 0.000 0.988 96 T HN 0.563 nan 8.240 nan 0.000 0.530 97 G N 2.245 111.050 108.800 0.009 0.000 3.768 97 G HA2 -0.127 3.838 3.960 0.008 0.000 0.214 97 G HA3 -0.127 3.838 3.960 0.008 0.000 0.214 97 G C 0.585 175.489 174.900 0.008 0.000 1.058 97 G CA 0.354 45.459 45.100 0.008 0.000 0.890 97 G HN 0.532 nan 8.290 nan 0.000 0.393 98 D N 1.207 121.614 120.400 0.012 0.000 2.349 98 D HA 0.369 5.013 4.640 0.008 0.000 0.214 98 D C 1.801 178.116 176.300 0.025 0.000 1.063 98 D CA 0.884 54.892 54.000 0.015 0.000 0.847 98 D CB -0.132 40.678 40.800 0.017 0.000 0.933 98 D HN 1.583 nan 8.370 nan 0.000 0.513 99 G N 1.463 110.280 108.800 0.030 0.000 2.234 99 G HA2 -0.323 3.641 3.960 0.008 0.000 0.260 99 G HA3 -0.323 3.641 3.960 0.008 0.000 0.260 99 G C 0.867 175.806 174.900 0.065 0.000 0.987 99 G CA 0.519 45.643 45.100 0.039 0.000 0.625 99 G HN 0.683 nan 8.290 nan 0.000 0.532 100 I N -2.654 117.963 120.570 0.078 0.000 4.225 100 I HA 0.501 4.676 4.170 0.008 0.000 0.327 100 I C 0.096 176.360 176.117 0.246 0.000 1.422 100 I CA 0.118 61.514 61.300 0.160 0.000 1.150 100 I CB 1.120 39.177 38.000 0.094 0.000 1.192 100 I HN -0.073 nan 8.210 nan 0.000 0.440 101 T N 2.912 117.549 114.554 0.138 0.000 3.250 101 T HA 0.421 4.776 4.350 0.008 0.000 0.391 101 T C -0.331 174.390 174.700 0.035 0.000 1.502 101 T CA -0.238 61.941 62.100 0.131 0.000 1.320 101 T CB 0.582 69.505 68.868 0.092 0.000 1.102 101 T HN 0.187 nan 8.240 nan 0.000 0.610 102 M N 3.921 123.513 119.600 -0.015 0.000 2.217 102 M HA 0.532 5.016 4.480 0.008 0.000 0.354 102 M C -0.431 175.821 176.300 -0.081 0.000 1.225 102 M CA -0.446 54.816 55.300 -0.062 0.000 1.137 102 M CB 0.455 32.986 32.600 -0.115 0.000 1.576 102 M HN 0.585 nan 8.290 nan 0.000 0.461 103 M N 4.673 124.230 119.600 -0.072 0.000 2.259 103 M HA 0.627 5.111 4.480 0.008 0.000 0.304 103 M C -0.262 175.999 176.300 -0.066 0.000 1.019 103 M CA -0.547 54.705 55.300 -0.080 0.000 0.922 103 M CB 1.430 33.975 32.600 -0.091 0.000 1.600 103 M HN 0.825 nan 8.290 nan 0.000 0.433 104 G N 2.827 111.590 108.800 -0.062 0.000 2.667 104 G HA2 0.046 4.010 3.960 0.008 0.000 0.250 104 G HA3 0.046 4.010 3.960 0.008 0.000 0.250 104 G C -0.367 174.514 174.900 -0.032 0.000 1.212 104 G CA -0.568 44.505 45.100 -0.045 0.000 0.874 104 G HN 0.905 nan 8.290 nan 0.000 0.561 105 N N -0.436 118.250 118.700 -0.023 0.000 2.359 105 N HA 0.313 5.058 4.740 0.008 0.000 0.261 105 N C 1.405 176.912 175.510 -0.005 0.000 1.267 105 N CA 1.626 54.667 53.050 -0.014 0.000 0.864 105 N CB 0.311 38.792 38.487 -0.010 0.000 1.063 105 N HN 1.205 nan 8.380 nan 0.000 0.474 106 G N 1.921 110.716 108.800 -0.009 0.000 2.162 106 G HA2 -0.262 3.703 3.960 0.008 0.000 0.260 106 G HA3 -0.262 3.703 3.960 0.008 0.000 0.260 106 G C 0.974 175.868 174.900 -0.009 0.000 0.976 106 G CA 0.492 45.590 45.100 -0.004 0.000 0.655 106 G HN 0.913 nan 8.290 nan 0.000 0.533 107 G N 0.106 108.894 108.800 -0.021 0.000 2.509 107 G HA2 0.125 4.090 3.960 0.008 0.000 0.218 107 G HA3 0.125 4.090 3.960 0.008 0.000 0.218 107 G C 1.667 176.542 174.900 -0.042 0.000 1.124 107 G CA 1.422 46.503 45.100 -0.031 0.000 0.776 107 G HN 1.008 nan 8.290 nan 0.000 0.547 108 L N 0.773 121.973 121.223 -0.039 0.000 2.079 108 L HA -0.032 4.312 4.340 0.008 0.000 0.210 108 L C 2.488 179.375 176.870 0.028 0.000 1.081 108 L CA 2.455 57.288 54.840 -0.011 0.000 0.752 108 L CB -0.454 41.609 42.059 0.006 0.000 0.896 108 L HN 0.433 nan 8.230 nan 0.000 0.433 109 E N -0.259 119.943 120.200 0.003 0.000 2.085 109 E HA -0.253 4.102 4.350 0.008 0.000 0.194 109 E C 2.143 178.737 176.600 -0.010 0.000 0.994 109 E CA 2.036 58.430 56.400 -0.009 0.000 0.801 109 E CB -0.221 29.459 29.700 -0.033 0.000 0.743 109 E HN 0.692 nan 8.360 nan 0.000 0.453 110 I N 0.668 121.231 120.570 -0.011 0.000 2.286 110 I HA -0.176 3.999 4.170 0.008 0.000 0.245 110 I C 2.656 178.800 176.117 0.046 0.000 1.104 110 I CA 0.805 62.108 61.300 0.004 0.000 1.397 110 I CB -0.466 37.536 38.000 0.004 0.000 1.072 110 I HN 0.137 nan 8.210 nan 0.000 0.417 111 A N 1.394 124.232 122.820 0.029 0.000 1.908 111 A HA -0.208 4.116 4.320 0.008 0.000 0.218 111 A C 2.444 180.157 177.584 0.216 0.000 1.181 111 A CA 1.540 53.619 52.037 0.069 0.000 0.627 111 A CB -0.600 18.350 19.000 -0.084 0.000 0.818 111 A HN 0.336 nan 8.150 nan 0.000 0.445 112 R N -0.682 119.931 120.500 0.189 0.000 2.081 112 R HA -0.053 4.292 4.340 0.008 0.000 0.235 112 R C 2.007 178.347 176.300 0.066 0.000 1.131 112 R CA 1.482 57.656 56.100 0.123 0.000 0.960 112 R CB -0.543 29.791 30.300 0.057 0.000 0.856 112 R HN 0.506 nan 8.270 nan 0.000 0.436 113 L N 0.156 121.414 121.223 0.058 0.000 2.201 113 L HA -0.136 4.208 4.340 0.008 0.000 0.212 113 L C 2.656 179.642 176.870 0.193 0.000 1.105 113 L CA 0.873 55.752 54.840 0.065 0.000 0.775 113 L CB -0.318 41.732 42.059 -0.016 0.000 0.913 113 L HN 0.206 nan 8.230 nan 0.000 0.440 114 S N -0.214 115.580 115.700 0.156 0.000 2.357 114 S HA -0.129 4.345 4.470 0.008 0.000 0.221 114 S C 2.161 176.751 174.600 -0.016 0.000 1.031 114 S CA 1.176 59.350 58.200 -0.042 0.000 0.982 114 S CB -0.040 63.078 63.200 -0.136 0.000 0.853 114 S HN 0.419 nan 8.310 nan 0.000 0.458 115 A N 0.771 123.624 122.820 0.054 0.000 1.898 115 A HA 0.151 4.475 4.320 0.008 0.000 0.216 115 A C 2.326 179.906 177.584 -0.007 0.000 1.181 115 A CA 1.742 53.807 52.037 0.048 0.000 0.620 115 A CB -1.575 17.481 19.000 0.094 0.000 0.819 115 A HN 0.633 nan 8.150 nan 0.000 0.442 116 G N -0.624 108.170 108.800 -0.010 0.000 2.422 116 G HA2 0.059 4.023 3.960 0.008 0.000 0.218 116 G HA3 0.059 4.023 3.960 0.008 0.000 0.218 116 G C 1.480 176.346 174.900 -0.057 0.000 1.140 116 G CA 1.198 46.266 45.100 -0.054 0.000 0.775 116 G HN 0.684 nan 8.290 nan 0.000 0.545 117 G N 1.158 109.957 108.800 -0.001 0.000 2.418 117 G HA2 0.020 3.985 3.960 0.008 0.000 0.217 117 G HA3 0.020 3.985 3.960 0.008 0.000 0.217 117 G C 2.031 176.908 174.900 -0.038 0.000 1.158 117 G CA 1.529 46.634 45.100 0.009 0.000 0.771 117 G HN 0.611 nan 8.290 nan 0.000 0.545 118 A N 0.050 122.838 122.820 -0.054 0.000 1.898 118 A HA 0.104 4.429 4.320 0.008 0.000 0.216 118 A C 2.615 180.145 177.584 -0.089 0.000 1.181 118 A CA 1.808 53.805 52.037 -0.066 0.000 0.620 118 A CB -0.609 18.357 19.000 -0.057 0.000 0.819 118 A HN 0.253 nan 8.150 nan 0.000 0.442 119 V N 0.064 119.899 119.914 -0.132 0.000 2.295 119 V HA -0.204 3.921 4.120 0.008 0.000 0.246 119 V C 2.626 178.543 176.094 -0.295 0.000 1.049 119 V CA 2.108 64.243 62.300 -0.274 0.000 1.024 119 V CB -0.697 30.889 31.823 -0.394 0.000 0.648 119 V HN 0.494 nan 8.190 nan 0.000 0.447 120 E N -0.151 119.929 120.200 -0.200 0.000 2.110 120 E HA -0.203 4.151 4.350 0.008 0.000 0.193 120 E C 2.068 178.620 176.600 -0.079 0.000 0.988 120 E CA 1.157 57.471 56.400 -0.143 0.000 0.804 120 E CB -0.323 29.320 29.700 -0.095 0.000 0.745 120 E HN 0.448 nan 8.360 nan 0.000 0.458 121 L N 0.660 121.850 121.223 -0.055 0.000 2.072 121 L HA -0.088 4.257 4.340 0.008 0.000 0.205 121 L C 2.186 179.054 176.870 -0.004 0.000 1.079 121 L CA 1.724 56.558 54.840 -0.010 0.000 0.752 121 L CB -0.850 41.211 42.059 0.005 0.000 0.906 121 L HN 0.019 nan 8.230 nan 0.000 0.436 122 T N -0.371 114.167 114.554 -0.027 0.000 2.720 122 T HA -0.242 4.113 4.350 0.008 0.000 0.268 122 T C 2.000 176.729 174.700 0.049 0.000 1.037 122 T CA 1.702 63.806 62.100 0.007 0.000 1.144 122 T CB -0.265 68.610 68.868 0.010 0.000 0.864 122 T HN 0.329 nan 8.240 nan 0.000 0.444 123 R N 0.846 121.362 120.500 0.026 0.000 2.083 123 R HA -0.066 4.279 4.340 0.008 0.000 0.237 123 R C 2.530 178.873 176.300 0.071 0.000 1.137 123 R CA 1.450 57.612 56.100 0.104 0.000 0.951 123 R CB -0.063 30.265 30.300 0.048 0.000 0.851 123 R HN 0.320 nan 8.270 nan 0.000 0.434 124 R N -0.384 120.138 120.500 0.038 0.000 2.153 124 R HA -0.014 4.331 4.340 0.008 0.000 0.218 124 R C 2.218 178.546 176.300 0.047 0.000 1.072 124 R CA 0.922 57.046 56.100 0.041 0.000 0.990 124 R CB 0.030 30.350 30.300 0.033 0.000 0.889 124 R HN 0.132 nan 8.270 nan 0.000 0.452 125 V N 0.954 120.897 119.914 0.048 0.000 2.379 125 V HA -0.167 3.958 4.120 0.008 0.000 0.245 125 V C 2.413 178.535 176.094 0.045 0.000 1.044 125 V CA 1.896 64.227 62.300 0.051 0.000 1.036 125 V CB -0.480 31.373 31.823 0.051 0.000 0.664 125 V HN 0.345 nan 8.190 nan 0.000 0.453 126 A N 0.762 123.611 122.820 0.049 0.000 1.972 126 A HA -0.220 4.105 4.320 0.008 0.000 0.219 126 A C 2.444 180.052 177.584 0.039 0.000 1.169 126 A CA 2.337 54.400 52.037 0.044 0.000 0.635 126 A CB -0.937 18.098 19.000 0.058 0.000 0.810 126 A HN 0.638 nan 8.150 nan 0.000 0.446 127 T N -4.024 110.557 114.554 0.045 0.000 3.007 127 T HA 0.286 4.641 4.350 0.008 0.000 0.270 127 T C 1.572 176.291 174.700 0.032 0.000 1.107 127 T CA 1.340 63.462 62.100 0.038 0.000 1.118 127 T CB -0.340 68.552 68.868 0.040 0.000 0.889 127 T HN 1.746 nan 8.240 nan 0.000 0.506 128 G N 0.960 109.781 108.800 0.035 0.000 2.176 128 G HA2 -0.311 3.654 3.960 0.008 0.000 0.253 128 G HA3 -0.311 3.654 3.960 0.008 0.000 0.253 128 G C 0.594 175.516 174.900 0.036 0.000 0.979 128 G CA 0.601 45.721 45.100 0.034 0.000 0.641 128 G HN 0.602 nan 8.290 nan 0.000 0.530 129 E N -0.479 119.744 120.200 0.038 0.000 2.110 129 E HA 0.057 4.411 4.350 0.008 0.000 0.193 129 E C 0.953 177.581 176.600 0.046 0.000 0.988 129 E CA 0.692 57.115 56.400 0.039 0.000 0.804 129 E CB -0.042 29.680 29.700 0.037 0.000 0.745 129 E HN 0.620 nan 8.360 nan 0.000 0.458 130 L N -0.086 121.169 121.223 0.053 0.000 2.333 130 L HA 0.199 4.544 4.340 0.008 0.000 0.269 130 L C 1.241 178.151 176.870 0.067 0.000 1.010 130 L CA -0.424 54.455 54.840 0.065 0.000 0.818 130 L CB 1.956 44.060 42.059 0.075 0.000 1.306 130 L HN -0.042 nan 8.230 nan 0.000 0.430 131 S N 0.414 116.160 115.700 0.076 0.000 2.446 131 S HA 0.422 4.897 4.470 0.008 0.000 0.225 131 S C 0.540 175.197 174.600 0.095 0.000 1.016 131 S CA 0.381 58.627 58.200 0.078 0.000 0.943 131 S CB 0.265 63.512 63.200 0.078 0.000 0.786 131 S HN 0.792 nan 8.310 nan 0.000 0.508 132 A N -0.879 122.011 122.820 0.118 0.000 2.483 132 A HA 0.775 5.100 4.320 0.008 0.000 0.294 132 A C -0.369 177.324 177.584 0.182 0.000 1.077 132 A CA -0.393 51.737 52.037 0.155 0.000 0.633 132 A CB 0.512 19.632 19.000 0.200 0.000 1.318 132 A HN 1.277 nan 8.150 nan 0.000 0.455 133 G N -1.777 107.167 108.800 0.241 0.000 2.523 133 G HA2 0.575 4.540 3.960 0.008 0.000 0.291 133 G HA3 0.575 4.540 3.960 0.008 0.000 0.291 133 G C -2.277 172.837 174.900 0.356 0.000 1.450 133 G CA -0.347 44.911 45.100 0.264 0.000 0.790 133 G HN 1.449 nan 8.290 nan 0.000 0.496 134 Y N 0.597 121.048 120.300 0.250 0.000 2.338 134 Y HA 0.605 5.159 4.550 0.007 0.000 0.333 134 Y C 0.090 176.067 175.900 0.128 0.000 0.968 134 Y CA -0.671 57.582 58.100 0.255 0.000 1.123 134 Y CB 1.988 40.614 38.460 0.276 0.000 1.165 134 Y HN 0.816 nan 8.280 nan 0.000 0.452 135 A N 6.309 129.157 122.820 0.047 0.000 2.280 135 A HA 0.415 4.740 4.320 0.008 0.000 0.320 135 A C -1.264 176.379 177.584 0.098 0.000 1.366 135 A CA -0.601 51.452 52.037 0.027 0.000 0.938 135 A CB 0.182 19.153 19.000 -0.047 0.000 1.157 135 A HN 0.686 nan 8.150 nan 0.000 0.536 136 L N 5.736 127.066 121.223 0.177 0.000 2.423 136 L HA 0.376 4.721 4.340 0.008 0.000 0.249 136 L C 0.215 177.140 176.870 0.092 0.000 1.276 136 L CA -0.076 54.927 54.840 0.271 0.000 1.199 136 L CB -0.373 41.786 42.059 0.167 0.000 1.407 136 L HN 0.555 nan 8.230 nan 0.000 0.410 137 V N 1.399 121.188 119.914 -0.210 0.000 3.134 137 V HA 0.746 4.871 4.120 0.008 0.000 0.313 137 V C -0.173 175.570 176.094 -0.585 0.000 1.069 137 V CA -0.609 61.175 62.300 -0.860 0.000 1.048 137 V CB 1.746 33.192 31.823 -0.628 0.000 1.119 137 V HN 0.777 nan 8.190 nan 0.000 0.461 138 N N 1.325 119.544 118.700 -0.801 0.000 2.635 138 N HA 0.510 5.255 4.740 0.008 0.000 0.260 138 N C -3.246 172.121 175.510 -0.237 0.000 1.078 138 N CA -0.990 51.883 53.050 -0.296 0.000 1.012 138 N CB 2.715 41.145 38.487 -0.094 0.000 1.677 138 N HN 0.642 nan 8.380 nan 0.000 0.514 139 P HA 0.308 nan 4.420 nan 0.000 0.272 139 P C -2.691 174.592 177.300 -0.028 0.000 1.230 139 P CA -0.811 62.264 63.100 -0.043 0.000 0.788 139 P CB 0.225 31.910 31.700 -0.025 0.000 0.949 140 P HA 0.135 nan 4.420 nan 0.000 0.277 140 P C 0.457 177.818 177.300 0.103 0.000 1.276 140 P CA 0.112 63.253 63.100 0.067 0.000 0.788 140 P CB 0.468 32.259 31.700 0.151 0.000 1.114 141 G N -1.576 107.294 108.800 0.116 0.000 2.599 141 G HA2 -0.030 3.935 3.960 0.008 0.000 0.196 141 G HA3 -0.030 3.935 3.960 0.008 0.000 0.196 141 G C 1.089 176.117 174.900 0.212 0.000 1.148 141 G CA 0.299 45.497 45.100 0.163 0.000 0.809 141 G HN 0.727 nan 8.290 nan 0.000 0.764 142 H N -1.570 117.478 119.070 -0.037 0.000 2.521 142 H HA 0.143 4.704 4.556 0.008 0.000 0.286 142 H C 1.801 177.077 175.328 -0.087 0.000 1.034 142 H CA 0.803 56.803 56.048 -0.080 0.000 1.278 142 H CB -0.067 29.609 29.762 -0.143 0.000 1.386 142 H HN 0.268 nan 8.280 nan 0.000 0.567 143 H N 0.932 119.957 119.070 -0.075 0.000 2.551 143 H HA 0.354 4.915 4.556 0.008 0.000 0.266 143 H C 0.672 175.975 175.328 -0.041 0.000 0.964 143 H CA 0.494 56.453 56.048 -0.147 0.000 1.180 143 H CB 0.107 29.829 29.762 -0.065 0.000 1.408 143 H HN 0.510 nan 8.280 nan 0.000 0.563 144 A N 3.984 126.889 122.820 0.142 0.000 2.350 144 A HA 0.291 4.616 4.320 0.008 0.000 0.293 144 A C -2.011 175.655 177.584 0.137 0.000 1.231 144 A CA -1.151 50.958 52.037 0.119 0.000 0.883 144 A CB 0.436 19.534 19.000 0.163 0.000 1.133 144 A HN 0.068 nan 8.150 nan 0.000 0.533 145 P HA 0.123 nan 4.420 nan 0.000 0.302 145 P C 0.592 177.934 177.300 0.071 0.000 1.307 145 P CA -0.210 62.900 63.100 0.016 0.000 0.754 145 P CB 0.595 32.272 31.700 -0.039 0.000 1.298 146 H N -0.237 118.780 119.070 -0.089 0.000 2.353 146 H HA -0.140 4.420 4.556 0.007 0.000 0.298 146 H C 1.378 176.754 175.328 0.081 0.000 1.103 146 H CA 2.318 58.325 56.048 -0.069 0.000 1.293 146 H CB -0.154 29.529 29.762 -0.132 0.000 1.372 146 H HN 0.366 nan 8.280 nan 0.000 0.501 147 N N -0.444 118.240 118.700 -0.027 0.000 2.234 147 N HA 0.299 5.044 4.740 0.008 0.000 0.227 147 N C -1.082 174.302 175.510 -0.210 0.000 1.151 147 N CA 0.426 53.422 53.050 -0.089 0.000 0.865 147 N CB 0.485 38.984 38.487 0.019 0.000 1.066 147 N HN 0.358 nan 8.380 nan 0.000 0.515 148 A N -0.092 122.451 122.820 -0.462 0.000 2.610 148 A HA 0.714 5.039 4.320 0.008 0.000 0.291 148 A C -1.424 175.800 177.584 -0.599 0.000 1.086 148 A CA -0.591 51.170 52.037 -0.460 0.000 0.677 148 A CB 0.917 19.820 19.000 -0.161 0.000 1.278 148 A HN 0.129 nan 8.150 nan 0.000 0.414 149 A N 0.643 123.341 122.820 -0.204 0.000 2.304 149 A HA 0.860 5.185 4.320 0.008 0.000 0.301 149 A C -0.210 177.359 177.584 -0.026 0.000 1.132 149 A CA -0.078 51.932 52.037 -0.044 0.000 0.819 149 A CB 0.688 19.716 19.000 0.046 0.000 1.094 149 A HN 1.791 nan 8.150 nan 0.000 0.492 150 M N 1.426 121.034 119.600 0.014 0.000 2.490 150 M HA 0.493 4.978 4.480 0.008 0.000 0.286 150 M C 0.232 176.553 176.300 0.035 0.000 1.185 150 M CA 0.793 56.108 55.300 0.026 0.000 0.912 150 M CB 1.740 34.353 32.600 0.022 0.000 1.744 150 M HN 2.073 nan 8.290 nan 0.000 0.494 151 G N 3.276 112.008 108.800 -0.112 0.000 2.338 151 G HA2 -0.272 3.692 3.960 0.008 0.000 0.296 151 G HA3 -0.272 3.692 3.960 0.008 0.000 0.296 151 G C 0.122 174.813 174.900 -0.348 0.000 1.040 151 G CA 0.753 45.539 45.100 -0.523 0.000 1.004 151 G HN 1.278 nan 8.290 nan 0.000 0.509 152 F N -4.623 115.328 119.950 0.002 0.000 2.748 152 F HA -0.320 4.211 4.527 0.007 0.000 0.370 152 F C 1.311 177.137 175.800 0.044 0.000 0.620 152 F CA 0.277 58.295 58.000 0.030 0.000 1.233 152 F CB -2.036 37.017 39.000 0.088 0.000 1.708 152 F HN 0.541 nan 8.300 nan 0.000 0.298 153 C N 1.980 121.401 119.300 0.202 0.000 2.329 153 C HA 0.500 4.965 4.460 0.008 0.000 0.329 153 C C 1.782 176.789 174.990 0.028 0.000 1.275 153 C CA -0.874 58.226 59.018 0.137 0.000 1.726 153 C CB 0.863 28.712 27.740 0.183 0.000 2.291 153 C HN 0.220 nan 8.230 nan 0.000 0.514 154 I N 0.796 121.318 120.570 -0.080 0.000 2.499 154 I HA 0.239 4.414 4.170 0.008 0.000 0.243 154 I C 0.270 176.140 176.117 -0.411 0.000 1.085 154 I CA 1.171 62.275 61.300 -0.327 0.000 1.422 154 I CB -0.603 37.056 38.000 -0.568 0.000 1.165 154 I HN 0.393 nan 8.210 nan 0.000 0.440 155 F N 0.698 120.667 119.950 0.030 0.000 2.546 155 F HA 0.381 4.913 4.527 0.008 0.000 0.320 155 F C 0.733 176.660 175.800 0.211 0.000 1.076 155 F CA -1.614 56.413 58.000 0.045 0.000 0.928 155 F CB 0.383 39.413 39.000 0.049 0.000 1.189 155 F HN -0.108 nan 8.300 nan 0.000 0.465 156 N N 2.694 121.804 118.700 0.682 0.000 2.555 156 N HA 0.022 4.767 4.740 0.008 0.000 0.244 156 N C 0.590 176.265 175.510 0.275 0.000 1.114 156 N CA 0.180 53.456 53.050 0.378 0.000 0.963 156 N CB 0.050 38.711 38.487 0.290 0.000 1.276 156 N HN 0.543 nan 8.380 nan 0.000 0.510 157 N N 1.226 120.044 118.700 0.197 0.000 2.061 157 N HA -0.187 4.557 4.740 0.008 0.000 0.193 157 N C 1.618 177.179 175.510 0.086 0.000 1.030 157 N CA 2.122 55.243 53.050 0.118 0.000 0.856 157 N CB -0.534 37.978 38.487 0.042 0.000 1.023 157 N HN 0.638 nan 8.380 nan 0.000 0.424 158 T N -1.876 112.721 114.554 0.072 0.000 2.867 158 T HA 0.036 4.391 4.350 0.008 0.000 0.268 158 T C 2.084 176.862 174.700 0.131 0.000 1.057 158 T CA 1.270 63.397 62.100 0.045 0.000 1.136 158 T CB -0.358 68.507 68.868 -0.006 0.000 0.874 158 T HN 0.022 nan 8.240 nan 0.000 0.466 159 S N 0.997 116.838 115.700 0.235 0.000 2.406 159 S HA 0.038 4.513 4.470 0.008 0.000 0.228 159 S C 2.213 177.020 174.600 0.344 0.000 1.020 159 S CA 0.743 59.206 58.200 0.439 0.000 0.965 159 S CB -0.468 62.984 63.200 0.420 0.000 0.798 159 S HN 0.383 nan 8.310 nan 0.000 0.488 160 V N 2.241 122.275 119.914 0.200 0.000 2.332 160 V HA -0.236 3.888 4.120 0.008 0.000 0.248 160 V C 2.679 178.870 176.094 0.161 0.000 1.055 160 V CA 1.844 64.235 62.300 0.152 0.000 1.038 160 V CB -1.185 30.696 31.823 0.097 0.000 0.651 160 V HN 0.550 nan 8.190 nan 0.000 0.450 161 A N -0.194 122.697 122.820 0.117 0.000 1.898 161 A HA -0.058 4.266 4.320 0.008 0.000 0.216 161 A C 2.418 180.081 177.584 0.131 0.000 1.181 161 A CA 1.955 54.045 52.037 0.089 0.000 0.620 161 A CB -0.756 18.253 19.000 0.015 0.000 0.819 161 A HN 0.565 nan 8.150 nan 0.000 0.442 162 A N -0.449 122.434 122.820 0.105 0.000 1.902 162 A HA 0.131 4.455 4.320 0.008 0.000 0.217 162 A C 2.392 180.025 177.584 0.083 0.000 1.181 162 A CA 1.901 53.938 52.037 -0.000 0.000 0.623 162 A CB -1.336 17.546 19.000 -0.197 0.000 0.818 162 A HN 0.705 nan 8.150 nan 0.000 0.443 163 G N -1.841 107.137 108.800 0.296 0.000 2.402 163 G HA2 -0.254 3.710 3.960 0.008 0.000 0.216 163 G HA3 -0.254 3.710 3.960 0.008 0.000 0.216 163 G C 1.549 176.568 174.900 0.199 0.000 1.162 163 G CA 1.198 46.507 45.100 0.347 0.000 0.777 163 G HN 0.591 nan 8.290 nan 0.000 0.539 164 Y N 1.940 122.287 120.300 0.078 0.000 2.145 164 Y HA -0.028 4.525 4.550 0.006 0.000 0.286 164 Y C 2.932 178.842 175.900 0.018 0.000 1.145 164 Y CA 1.626 59.748 58.100 0.037 0.000 1.148 164 Y CB -0.260 38.214 38.460 0.023 0.000 0.981 164 Y HN 0.247 nan 8.280 nan 0.000 0.507 165 A N 0.723 123.628 122.820 0.142 0.000 1.933 165 A HA -0.174 4.150 4.320 0.008 0.000 0.218 165 A C 2.295 179.845 177.584 -0.058 0.000 1.175 165 A CA 1.662 53.719 52.037 0.033 0.000 0.628 165 A CB -0.475 18.549 19.000 0.040 0.000 0.814 165 A HN 0.412 nan 8.150 nan 0.000 0.444 166 R N -0.713 119.763 120.500 -0.039 0.000 2.055 166 R HA 0.027 4.372 4.340 0.008 0.000 0.228 166 R C 2.508 178.774 176.300 -0.058 0.000 1.143 166 R CA 1.490 57.564 56.100 -0.043 0.000 0.945 166 R CB -1.063 29.233 30.300 -0.007 0.000 0.841 166 R HN 0.499 nan 8.270 nan 0.000 0.429 167 A N 0.317 123.104 122.820 -0.055 0.000 1.898 167 A HA -0.029 4.295 4.320 0.008 0.000 0.214 167 A C 2.343 179.837 177.584 -0.150 0.000 1.183 167 A CA 1.195 53.190 52.037 -0.071 0.000 0.622 167 A CB -0.179 18.804 19.000 -0.029 0.000 0.824 167 A HN 0.114 nan 8.150 nan 0.000 0.444 168 V N -0.677 119.057 119.914 -0.300 0.000 2.581 168 V HA 0.033 4.157 4.120 0.008 0.000 0.240 168 V C 2.170 178.074 176.094 -0.317 0.000 1.054 168 V CA 1.114 63.169 62.300 -0.408 0.000 1.076 168 V CB -0.411 30.877 31.823 -0.891 0.000 0.748 168 V HN 0.481 nan 8.190 nan 0.000 0.474 169 L N 0.530 121.567 121.223 -0.309 0.000 2.509 169 L HA 0.343 4.688 4.340 0.008 0.000 0.222 169 L C 1.748 178.558 176.870 -0.099 0.000 1.123 169 L CA 0.906 55.648 54.840 -0.162 0.000 0.856 169 L CB -0.331 41.672 42.059 -0.093 0.000 0.985 169 L HN 0.563 nan 8.230 nan 0.000 0.456 170 G N 0.438 109.176 108.800 -0.102 0.000 2.143 170 G HA2 -0.313 3.652 3.960 0.008 0.000 0.248 170 G HA3 -0.313 3.652 3.960 0.008 0.000 0.248 170 G C 0.327 175.191 174.900 -0.060 0.000 0.991 170 G CA -0.060 44.997 45.100 -0.071 0.000 0.689 170 G HN 0.233 nan 8.290 nan 0.000 0.522 171 M N 0.178 119.741 119.600 -0.062 0.000 2.245 171 M HA 0.195 4.679 4.480 0.008 0.000 0.344 171 M C 1.455 177.714 176.300 -0.067 0.000 1.170 171 M CA 0.247 55.511 55.300 -0.059 0.000 1.135 171 M CB 0.453 33.021 32.600 -0.054 0.000 1.574 171 M HN 0.106 nan 8.290 nan 0.000 0.452 172 E N 2.220 122.374 120.200 -0.077 0.000 2.250 172 E HA 0.084 4.439 4.350 0.008 0.000 0.192 172 E C -0.021 176.517 176.600 -0.104 0.000 0.986 172 E CA 0.878 57.226 56.400 -0.087 0.000 0.849 172 E CB 0.459 30.101 29.700 -0.096 0.000 0.797 172 E HN 0.576 nan 8.360 nan 0.000 0.482 173 R N 0.201 120.633 120.500 -0.114 0.000 2.533 173 R HA 0.505 4.849 4.340 0.008 0.000 0.288 173 R C -1.183 175.105 176.300 -0.019 0.000 1.039 173 R CA -0.393 55.647 56.100 -0.101 0.000 0.909 173 R CB 2.598 32.677 30.300 -0.369 0.000 1.195 173 R HN -0.187 nan 8.270 nan 0.000 0.438 174 V N 1.501 121.443 119.914 0.047 0.000 2.789 174 V HA 0.773 4.898 4.120 0.008 0.000 0.311 174 V C -0.650 175.450 176.094 0.011 0.000 1.073 174 V CA -0.842 61.447 62.300 -0.019 0.000 0.921 174 V CB 2.030 33.758 31.823 -0.159 0.000 1.009 174 V HN 0.909 nan 8.190 nan 0.000 0.426 175 A N 4.894 127.705 122.820 -0.016 0.000 2.350 175 A HA 0.921 5.246 4.320 0.008 0.000 0.324 175 A C -0.931 176.566 177.584 -0.145 0.000 1.118 175 A CA -0.544 51.433 52.037 -0.101 0.000 0.783 175 A CB 0.982 19.966 19.000 -0.028 0.000 1.236 175 A HN 0.750 nan 8.150 nan 0.000 0.457 176 I N 2.794 123.265 120.570 -0.166 0.000 2.382 176 I HA 0.271 4.446 4.170 0.008 0.000 0.285 176 I C -0.957 175.095 176.117 -0.108 0.000 1.007 176 I CA -0.628 60.586 61.300 -0.144 0.000 1.142 176 I CB 1.618 39.552 38.000 -0.111 0.000 1.289 176 I HN 0.551 nan 8.210 nan 0.000 0.453 177 L N 7.046 128.182 121.223 -0.144 0.000 2.272 177 L HA 0.524 4.868 4.340 0.008 0.000 0.289 177 L C -0.758 176.022 176.870 -0.150 0.000 1.032 177 L CA 0.143 54.925 54.840 -0.097 0.000 0.810 177 L CB 1.148 43.151 42.059 -0.094 0.000 1.205 177 L HN 0.435 nan 8.230 nan 0.000 0.422 178 D N 4.511 124.903 120.400 -0.014 0.000 2.453 178 D HA 0.231 4.876 4.640 0.008 0.000 0.238 178 D C -0.324 176.076 176.300 0.167 0.000 1.088 178 D CA -0.482 53.508 54.000 -0.016 0.000 0.854 178 D CB 0.669 41.524 40.800 0.091 0.000 1.076 178 D HN 0.596 nan 8.370 nan 0.000 0.533 179 W N 3.522 124.881 121.300 0.099 0.000 3.123 179 W HA 0.369 5.033 4.660 0.007 0.000 0.383 179 W C 0.026 176.642 176.519 0.162 0.000 1.102 179 W CA -1.019 56.440 57.345 0.190 0.000 1.865 179 W CB -0.802 28.803 29.460 0.243 0.000 1.111 179 W HN 0.153 nan 8.180 nan 0.000 0.621 180 D N 1.560 122.126 120.400 0.276 0.000 2.472 180 D HA -0.135 4.509 4.640 0.008 0.000 0.237 180 D C 1.298 177.795 176.300 0.330 0.000 1.141 180 D CA 0.399 54.516 54.000 0.195 0.000 0.875 180 D CB 2.203 42.930 40.800 -0.121 0.000 1.192 180 D HN 0.059 nan 8.370 nan 0.000 0.450 181 V N 4.253 124.308 119.914 0.234 0.000 2.867 181 V HA -0.163 3.961 4.120 0.008 0.000 0.260 181 V C 0.273 176.437 176.094 0.118 0.000 1.099 181 V CA 1.460 63.855 62.300 0.158 0.000 1.122 181 V CB -0.641 31.185 31.823 0.005 0.000 0.708 181 V HN 0.496 nan 8.190 nan 0.000 0.490 182 H N -1.045 118.331 119.070 0.509 0.000 2.502 182 H HA 0.431 4.992 4.556 0.008 0.000 0.338 182 H C -0.066 175.537 175.328 0.458 0.000 1.155 182 H CA -0.605 55.752 56.048 0.515 0.000 1.237 182 H CB 0.658 30.803 29.762 0.638 0.000 1.534 182 H HN 0.362 nan 8.280 nan 0.000 0.523 183 H N 1.051 120.240 119.070 0.197 0.000 3.004 183 H HA 0.082 4.642 4.556 0.007 0.000 0.316 183 H C 0.723 176.024 175.328 -0.045 0.000 1.014 183 H CA -0.284 55.635 56.048 -0.215 0.000 1.454 183 H CB 0.474 29.891 29.762 -0.575 0.000 1.472 183 H HN 0.869 nan 8.280 nan 0.000 0.571 184 G N 5.185 113.806 108.800 -0.299 0.000 3.197 184 G HA2 -0.118 3.847 3.960 0.008 0.000 0.257 184 G HA3 -0.118 3.847 3.960 0.008 0.000 0.257 184 G C 1.074 175.604 174.900 -0.616 0.000 0.835 184 G CA -0.033 44.853 45.100 -0.356 0.000 2.001 184 G HN 0.905 nan 8.290 nan 0.000 0.625 185 N N 1.029 119.261 118.700 -0.779 0.000 2.166 185 N HA -0.121 4.624 4.740 0.008 0.000 0.186 185 N C 2.081 177.471 175.510 -0.201 0.000 1.019 185 N CA 1.428 54.160 53.050 -0.530 0.000 0.856 185 N CB -0.513 37.816 38.487 -0.262 0.000 0.993 185 N HN 0.279 nan 8.380 nan 0.000 0.426 186 G N 0.639 109.365 108.800 -0.124 0.000 2.404 186 G HA2 -0.212 3.752 3.960 0.008 0.000 0.215 186 G HA3 -0.212 3.752 3.960 0.008 0.000 0.215 186 G C 1.512 176.412 174.900 -0.000 0.000 1.174 186 G CA 1.551 46.633 45.100 -0.031 0.000 0.780 186 G HN 0.416 nan 8.290 nan 0.000 0.537 187 T N 0.410 114.991 114.554 0.046 0.000 2.746 187 T HA -0.160 4.195 4.350 0.008 0.000 0.267 187 T C 2.265 177.102 174.700 0.228 0.000 1.039 187 T CA 1.583 63.789 62.100 0.176 0.000 1.142 187 T CB -0.236 68.753 68.868 0.202 0.000 0.866 187 T HN 0.458 nan 8.240 nan 0.000 0.444 188 Q N 0.847 120.734 119.800 0.146 0.000 2.096 188 Q HA -0.214 4.131 4.340 0.008 0.000 0.204 188 Q C 2.082 178.235 176.000 0.255 0.000 0.982 188 Q CA 2.059 58.017 55.803 0.258 0.000 0.850 188 Q CB -0.221 28.653 28.738 0.226 0.000 0.901 188 Q HN 0.568 nan 8.270 nan 0.000 0.422 189 D N -0.208 120.220 120.400 0.048 0.000 2.097 189 D HA -0.158 4.487 4.640 0.008 0.000 0.195 189 D C 1.826 178.106 176.300 -0.034 0.000 0.989 189 D CA 1.564 55.529 54.000 -0.059 0.000 0.827 189 D CB -0.143 40.589 40.800 -0.114 0.000 0.966 189 D HN 0.385 nan 8.370 nan 0.000 0.456 190 I N -0.806 119.681 120.570 -0.139 0.000 2.208 190 I HA -0.193 3.981 4.170 0.008 0.000 0.245 190 I C 1.137 176.936 176.117 -0.529 0.000 1.097 190 I CA 1.066 62.100 61.300 -0.444 0.000 1.363 190 I CB -0.201 37.386 38.000 -0.689 0.000 1.051 190 I HN 0.233 nan 8.210 nan 0.000 0.413 191 W N -0.657 120.705 121.300 0.104 0.000 3.239 191 W HA 0.103 4.770 4.660 0.011 0.000 0.368 191 W C 1.908 178.526 176.519 0.166 0.000 1.154 191 W CA -0.724 56.680 57.345 0.097 0.000 1.860 191 W CB -0.432 29.064 29.460 0.061 0.000 1.094 191 W HN 0.186 nan 8.180 nan 0.000 0.643 192 W N 1.959 123.327 121.300 0.114 0.000 2.305 192 W HA -0.273 4.392 4.660 0.008 0.000 0.308 192 W C 0.766 177.351 176.519 0.110 0.000 1.226 192 W CA 1.619 59.025 57.345 0.101 0.000 1.253 192 W CB -0.151 29.337 29.460 0.046 0.000 1.146 192 W HN -0.104 nan 8.180 nan 0.000 0.507 193 N N 0.440 119.255 118.700 0.192 0.000 2.268 193 N HA -0.028 4.716 4.740 0.008 0.000 0.204 193 N C -0.898 174.653 175.510 0.069 0.000 1.124 193 N CA 0.625 53.715 53.050 0.066 0.000 0.838 193 N CB 0.008 38.555 38.487 0.100 0.000 0.994 193 N HN 0.022 nan 8.380 nan 0.000 0.489 194 D N 0.831 121.305 120.400 0.123 0.000 2.505 194 D HA 0.199 4.844 4.640 0.008 0.000 0.250 194 D C -1.921 174.400 176.300 0.034 0.000 1.164 194 D CA -1.889 52.189 54.000 0.130 0.000 0.870 194 D CB 2.331 43.325 40.800 0.323 0.000 1.160 194 D HN -0.043 nan 8.370 nan 0.000 0.549 195 P HA -0.029 nan 4.420 nan 0.000 0.245 195 P C 0.881 178.021 177.300 -0.266 0.000 1.212 195 P CA 0.321 63.139 63.100 -0.471 0.000 0.774 195 P CB 0.218 31.443 31.700 -0.791 0.000 0.999 196 S N -1.481 114.159 115.700 -0.101 0.000 2.558 196 S HA 0.103 4.577 4.470 0.008 0.000 0.217 196 S C 0.678 175.235 174.600 -0.072 0.000 0.975 196 S CA -0.084 58.087 58.200 -0.047 0.000 0.912 196 S CB -0.528 62.639 63.200 -0.055 0.000 0.776 196 S HN -0.078 nan 8.310 nan 0.000 0.526 197 V N 2.741 122.542 119.914 -0.188 0.000 2.419 197 V HA 0.448 4.573 4.120 0.008 0.000 0.287 197 V C -0.669 175.233 176.094 -0.320 0.000 1.017 197 V CA -0.854 61.197 62.300 -0.415 0.000 0.844 197 V CB 1.316 32.439 31.823 -1.166 0.000 1.011 197 V HN 0.458 nan 8.190 nan 0.000 0.429 198 L N 6.122 127.065 121.223 -0.467 0.000 2.361 198 L HA 0.589 4.934 4.340 0.008 0.000 0.278 198 L C 0.635 177.342 176.870 -0.272 0.000 1.113 198 L CA 0.815 55.342 54.840 -0.521 0.000 0.849 198 L CB 1.141 42.518 42.059 -1.137 0.000 1.155 198 L HN 0.834 nan 8.230 nan 0.000 0.452 199 T N 4.001 118.489 114.554 -0.111 0.000 2.770 199 T HA 0.700 5.055 4.350 0.008 0.000 0.283 199 T C -0.194 174.524 174.700 0.031 0.000 0.988 199 T CA -0.487 61.610 62.100 -0.004 0.000 0.957 199 T CB 0.582 69.529 68.868 0.132 0.000 0.930 199 T HN 0.457 nan 8.240 nan 0.000 0.443 200 I N 2.427 123.018 120.570 0.035 0.000 2.465 200 I HA 0.545 4.720 4.170 0.008 0.000 0.291 200 I C -0.039 176.167 176.117 0.149 0.000 1.014 200 I CA -0.808 60.536 61.300 0.073 0.000 1.093 200 I CB 2.256 40.275 38.000 0.032 0.000 1.267 200 I HN 0.671 nan 8.210 nan 0.000 0.431 201 S N 7.128 122.970 115.700 0.236 0.000 2.659 201 S HA 0.622 5.096 4.470 0.008 0.000 0.312 201 S C -0.798 174.000 174.600 0.330 0.000 1.114 201 S CA -0.629 57.792 58.200 0.369 0.000 1.063 201 S CB 0.661 64.199 63.200 0.563 0.000 0.996 201 S HN 0.447 nan 8.310 nan 0.000 0.478 202 L N 7.294 128.683 121.223 0.276 0.000 2.292 202 L HA 0.640 4.985 4.340 0.008 0.000 0.284 202 L C 0.191 177.198 176.870 0.228 0.000 1.065 202 L CA -0.596 54.310 54.840 0.109 0.000 0.806 202 L CB 0.667 42.834 42.059 0.181 0.000 1.175 202 L HN 0.770 nan 8.230 nan 0.000 0.431 203 H N 1.458 120.634 119.070 0.177 0.000 3.037 203 H HA 0.159 4.719 4.556 0.007 0.000 0.336 203 H C -1.501 173.925 175.328 0.165 0.000 1.323 203 H CA -0.998 55.186 56.048 0.226 0.000 1.159 203 H CB 1.622 31.552 29.762 0.281 0.000 1.882 203 H HN 0.575 nan 8.280 nan 0.000 0.535 204 Q N 1.750 121.738 119.800 0.313 0.000 2.289 204 Q HA -0.008 4.337 4.340 0.008 0.000 0.273 204 Q C -0.531 175.651 176.000 0.304 0.000 1.029 204 Q CA -0.225 55.722 55.803 0.240 0.000 0.896 204 Q CB 0.303 29.166 28.738 0.208 0.000 1.182 204 Q HN 0.570 nan 8.270 nan 0.000 0.385 205 H N 5.503 124.640 119.070 0.111 0.000 3.157 205 H HA -0.070 4.490 4.556 0.008 0.000 0.299 205 H C 0.366 175.716 175.328 0.038 0.000 0.961 205 H CA 1.271 57.358 56.048 0.065 0.000 1.428 205 H CB -0.102 29.650 29.762 -0.016 0.000 1.459 205 H HN 0.811 nan 8.280 nan 0.000 0.566 206 L N 3.038 124.055 121.223 -0.342 0.000 4.040 206 L HA -0.406 3.939 4.340 0.008 0.000 0.410 206 L C 1.913 178.737 176.870 -0.078 0.000 1.187 206 L CA 0.662 55.297 54.840 -0.341 0.000 0.956 206 L CB -2.280 39.480 42.059 -0.499 0.000 2.022 206 L HN 0.648 nan 8.230 nan 0.000 0.897 207 C N -0.130 119.219 119.300 0.082 0.000 2.508 207 C HA 0.141 4.606 4.460 0.008 0.000 0.280 207 C C 0.925 176.088 174.990 0.289 0.000 1.262 207 C CA 1.283 60.434 59.018 0.222 0.000 1.706 207 C CB 0.050 27.987 27.740 0.329 0.000 2.078 207 C HN 0.508 nan 8.230 nan 0.000 0.480 208 F N 0.735 120.774 119.950 0.148 0.000 2.639 208 F HA 0.528 5.059 4.527 0.007 0.000 0.320 208 F C -2.797 172.986 175.800 -0.028 0.000 1.128 208 F CA -1.699 56.273 58.000 -0.046 0.000 1.037 208 F CB 1.009 39.852 39.000 -0.261 0.000 1.288 208 F HN -0.012 nan 8.300 nan 0.000 0.463 209 P HA 0.316 nan 4.420 nan 0.000 0.274 209 P C -2.697 174.272 177.300 -0.552 0.000 1.246 209 P CA -1.207 61.135 63.100 -1.263 0.000 0.795 209 P CB 0.110 31.234 31.700 -0.960 0.000 1.006 210 P HA 0.012 nan 4.420 nan 0.000 0.272 210 P C -0.379 176.809 177.300 -0.187 0.000 1.230 210 P CA 0.446 63.401 63.100 -0.243 0.000 0.788 210 P CB -0.009 31.585 31.700 -0.175 0.000 0.949 211 D N -2.253 118.078 120.400 -0.115 0.000 2.708 211 D HA -0.155 4.489 4.640 0.008 0.000 0.236 211 D C -0.217 176.122 176.300 0.065 0.000 1.146 211 D CA 1.174 55.202 54.000 0.046 0.000 0.662 211 D CB -1.852 38.972 40.800 0.040 0.000 1.059 211 D HN 0.382 nan 8.370 nan 0.000 0.428 212 S N -1.911 113.714 115.700 -0.125 0.000 2.541 212 S HA 0.604 5.079 4.470 0.008 0.000 0.271 212 S C 0.730 175.064 174.600 -0.443 0.000 1.133 212 S CA 0.768 58.895 58.200 -0.121 0.000 0.876 212 S CB 1.984 65.156 63.200 -0.048 0.000 1.105 212 S HN 0.951 nan 8.310 nan 0.000 0.470 213 G N 1.725 110.125 108.800 -0.667 0.000 2.144 213 G HA2 -0.196 3.769 3.960 0.008 0.000 0.218 213 G HA3 -0.196 3.769 3.960 0.008 0.000 0.218 213 G C -0.286 174.509 174.900 -0.175 0.000 0.988 213 G CA 0.023 44.493 45.100 -1.050 0.000 0.659 213 G HN 0.682 nan 8.290 nan 0.000 0.522 214 Y N 1.426 121.733 120.300 0.011 0.000 2.457 214 Y HA 0.295 4.849 4.550 0.008 0.000 0.341 214 Y C 2.127 178.073 175.900 0.076 0.000 1.240 214 Y CA 0.707 58.871 58.100 0.106 0.000 1.437 214 Y CB 0.878 39.397 38.460 0.098 0.000 1.328 214 Y HN 0.268 nan 8.280 nan 0.000 0.588 215 S N -1.616 114.207 115.700 0.206 0.000 2.515 215 S HA -0.148 4.327 4.470 0.008 0.000 0.231 215 S C 1.552 176.222 174.600 0.117 0.000 0.987 215 S CA 0.908 59.177 58.200 0.115 0.000 0.936 215 S CB -0.916 62.310 63.200 0.045 0.000 0.766 215 S HN 0.862 nan 8.310 nan 0.000 0.528 216 T N -0.332 114.316 114.554 0.157 0.000 3.113 216 T HA 0.074 4.429 4.350 0.008 0.000 0.263 216 T C 0.323 175.129 174.700 0.177 0.000 1.143 216 T CA 0.236 62.412 62.100 0.127 0.000 1.090 216 T CB -0.568 68.356 68.868 0.093 0.000 0.922 216 T HN 0.532 nan 8.240 nan 0.000 0.521 217 E N 1.382 121.731 120.200 0.248 0.000 1.941 217 E HA 0.300 4.655 4.350 0.008 0.000 0.275 217 E C 0.563 177.324 176.600 0.268 0.000 1.113 217 E CA -0.272 56.379 56.400 0.419 0.000 0.878 217 E CB 0.555 30.530 29.700 0.460 0.000 1.070 217 E HN 0.413 nan 8.360 nan 0.000 0.399 218 R N 2.203 122.706 120.500 0.006 0.000 2.476 218 R HA 0.238 4.582 4.340 0.008 0.000 0.276 218 R C 0.506 176.443 176.300 -0.604 0.000 0.941 218 R CA 0.007 55.936 56.100 -0.285 0.000 1.088 218 R CB 1.143 31.216 30.300 -0.379 0.000 1.216 218 R HN 0.639 nan 8.270 nan 0.000 0.533 219 G N 0.819 108.889 108.800 -1.215 0.000 2.655 219 G HA2 0.106 4.071 3.960 0.008 0.000 0.680 219 G HA3 0.106 4.071 3.960 0.008 0.000 0.680 219 G C -1.225 173.010 174.900 -1.108 0.000 1.302 219 G CA -0.562 43.616 45.100 -1.537 0.000 0.872 219 G HN 0.345 nan 8.290 nan 0.000 0.540 220 A N -0.970 121.362 122.820 -0.814 0.000 2.556 220 A HA 1.194 5.518 4.320 0.008 0.000 0.294 220 A C 1.350 178.885 177.584 -0.082 0.000 1.091 220 A CA 1.337 53.215 52.037 -0.264 0.000 0.704 220 A CB 1.060 19.995 19.000 -0.107 0.000 1.300 220 A HN 3.046 nan 8.150 nan 0.000 0.406 221 G N 1.346 110.141 108.800 -0.009 0.000 2.611 221 G HA2 -0.342 3.622 3.960 0.008 0.000 0.301 221 G HA3 -0.342 3.622 3.960 0.008 0.000 0.301 221 G C 0.760 175.686 174.900 0.043 0.000 1.233 221 G CA 0.669 45.776 45.100 0.012 0.000 0.993 221 G HN 0.983 nan 8.290 nan 0.000 0.553 222 N N 1.787 120.508 118.700 0.035 0.000 2.364 222 N HA -0.074 4.670 4.740 0.008 0.000 0.183 222 N C 2.129 177.679 175.510 0.066 0.000 1.022 222 N CA 1.666 54.741 53.050 0.042 0.000 0.883 222 N CB -0.491 37.999 38.487 0.004 0.000 0.965 222 N HN 0.848 nan 8.380 nan 0.000 0.438 223 G N -0.783 108.048 108.800 0.051 0.000 2.985 223 G HA2 -0.115 3.850 3.960 0.008 0.000 0.209 223 G HA3 -0.115 3.850 3.960 0.008 0.000 0.209 223 G C 0.232 175.203 174.900 0.119 0.000 1.165 223 G CA -0.180 44.966 45.100 0.077 0.000 0.776 223 G HN 0.361 nan 8.290 nan 0.000 0.541 224 H N -0.098 118.977 119.070 0.008 0.000 2.975 224 H HA 0.400 4.961 4.556 0.008 0.000 0.303 224 H C 1.420 176.720 175.328 -0.047 0.000 1.023 224 H CA 1.056 57.053 56.048 -0.086 0.000 1.473 224 H CB 0.492 30.203 29.762 -0.085 0.000 1.498 224 H HN 0.172 nan 8.280 nan 0.000 0.549 225 G N 3.687 112.098 108.800 -0.648 0.000 2.176 225 G HA2 -0.286 3.679 3.960 0.008 0.000 0.232 225 G HA3 -0.286 3.679 3.960 0.008 0.000 0.232 225 G C 0.164 174.622 174.900 -0.736 0.000 0.986 225 G CA 0.340 45.057 45.100 -0.638 0.000 0.643 225 G HN 0.636 nan 8.290 nan 0.000 0.522 226 Y N 1.021 121.192 120.300 -0.216 0.000 2.681 226 Y HA 0.419 4.973 4.550 0.007 0.000 0.267 226 Y C 0.857 176.658 175.900 -0.164 0.000 1.166 226 Y CA -0.340 57.648 58.100 -0.185 0.000 1.209 226 Y CB 0.573 38.950 38.460 -0.140 0.000 1.161 226 Y HN 0.281 nan 8.280 nan 0.000 0.534 227 N N 1.214 119.862 118.700 -0.086 0.000 2.346 227 N HA 0.449 5.194 4.740 0.008 0.000 0.289 227 N C -1.680 173.822 175.510 -0.013 0.000 1.027 227 N CA -0.277 52.777 53.050 0.007 0.000 0.864 227 N CB 1.288 39.833 38.487 0.097 0.000 1.370 227 N HN 0.121 nan 8.380 nan 0.000 0.481 228 I N 2.487 123.075 120.570 0.031 0.000 2.439 228 I HA 0.277 4.452 4.170 0.008 0.000 0.285 228 I C -0.577 175.607 176.117 0.111 0.000 1.021 228 I CA -0.650 60.666 61.300 0.028 0.000 1.091 228 I CB 1.547 39.531 38.000 -0.027 0.000 1.242 228 I HN 0.376 nan 8.210 nan 0.000 0.439 229 N N 4.994 123.775 118.700 0.135 0.000 2.421 229 N HA 0.484 5.228 4.740 0.008 0.000 0.285 229 N C -0.880 174.647 175.510 0.029 0.000 1.027 229 N CA -0.591 52.575 53.050 0.194 0.000 0.918 229 N CB 2.353 40.993 38.487 0.255 0.000 1.152 229 N HN 0.214 nan 8.380 nan 0.000 0.485 230 V N 3.528 123.380 119.914 -0.103 0.000 2.260 230 V HA 0.290 4.415 4.120 0.008 0.000 0.263 230 V C -2.204 173.621 176.094 -0.448 0.000 1.036 230 V CA -1.536 60.639 62.300 -0.208 0.000 0.874 230 V CB 0.289 32.023 31.823 -0.149 0.000 1.116 230 V HN 0.606 nan 8.190 nan 0.000 0.454 231 P HA 0.341 nan 4.420 nan 0.000 0.276 231 P C -0.685 176.473 177.300 -0.236 0.000 1.235 231 P CA 0.066 62.946 63.100 -0.367 0.000 0.772 231 P CB 1.451 33.098 31.700 -0.089 0.000 0.871 232 L N 5.188 126.316 121.223 -0.158 0.000 2.333 232 L HA 0.547 4.892 4.340 0.008 0.000 0.269 232 L C -2.170 174.696 176.870 -0.007 0.000 1.010 232 L CA -2.788 51.981 54.840 -0.119 0.000 0.818 232 L CB 2.299 44.239 42.059 -0.198 0.000 1.306 232 L HN 0.181 nan 8.230 nan 0.000 0.430 233 P HA 0.227 nan 4.420 nan 0.000 0.275 233 P C -2.647 174.694 177.300 0.068 0.000 1.228 233 P CA -1.704 61.423 63.100 0.044 0.000 0.786 233 P CB -0.116 31.596 31.700 0.020 0.000 0.927 234 P HA -0.001 nan 4.420 nan 0.000 0.266 234 P C 1.110 178.453 177.300 0.072 0.000 1.186 234 P CA 1.456 64.611 63.100 0.091 0.000 0.767 234 P CB -0.154 31.598 31.700 0.086 0.000 0.820 235 G N 0.988 109.835 108.800 0.079 0.000 2.179 235 G HA2 -0.251 3.713 3.960 0.008 0.000 0.260 235 G HA3 -0.251 3.713 3.960 0.008 0.000 0.260 235 G C 0.317 175.254 174.900 0.062 0.000 0.977 235 G CA 0.074 45.210 45.100 0.060 0.000 0.641 235 G HN 0.590 nan 8.290 nan 0.000 0.533 236 S N 0.696 116.449 115.700 0.089 0.000 2.549 236 S HA 0.545 5.019 4.470 0.008 0.000 0.283 236 S C 1.036 175.734 174.600 0.163 0.000 1.320 236 S CA 0.479 58.743 58.200 0.106 0.000 1.058 236 S CB 1.435 64.692 63.200 0.094 0.000 0.882 236 S HN 1.236 nan 8.310 nan 0.000 0.498 237 G N 2.006 110.878 108.800 0.121 0.000 3.252 237 G HA2 0.249 4.214 3.960 0.008 0.000 0.181 237 G HA3 0.249 4.214 3.960 0.008 0.000 0.181 237 G C 0.541 175.493 174.900 0.085 0.000 1.187 237 G CA -0.504 44.639 45.100 0.073 0.000 0.886 237 G HN 0.527 nan 8.290 nan 0.000 0.615 238 N N 0.420 119.108 118.700 -0.019 0.000 2.104 238 N HA -0.124 4.621 4.740 0.008 0.000 0.190 238 N C 2.327 177.856 175.510 0.032 0.000 1.024 238 N CA 1.542 54.569 53.050 -0.038 0.000 0.853 238 N CB -0.496 37.952 38.487 -0.064 0.000 1.008 238 N HN 0.457 nan 8.380 nan 0.000 0.424 239 A N 0.808 123.645 122.820 0.028 0.000 1.877 239 A HA 0.039 4.364 4.320 0.008 0.000 0.216 239 A C 2.362 179.980 177.584 0.056 0.000 1.186 239 A CA 1.994 54.049 52.037 0.029 0.000 0.620 239 A CB -0.954 18.045 19.000 -0.002 0.000 0.822 239 A HN 0.317 nan 8.150 nan 0.000 0.443 240 A N -1.515 121.336 122.820 0.052 0.000 1.877 240 A HA -0.086 4.239 4.320 0.008 0.000 0.216 240 A C 2.115 179.694 177.584 -0.008 0.000 1.186 240 A CA 1.610 53.657 52.037 0.016 0.000 0.620 240 A CB -0.847 18.138 19.000 -0.024 0.000 0.822 240 A HN 0.570 nan 8.150 nan 0.000 0.443 241 Y N 0.015 120.295 120.300 -0.034 0.000 2.181 241 Y HA -0.116 4.438 4.550 0.007 0.000 0.288 241 Y C 2.221 178.099 175.900 -0.036 0.000 1.146 241 Y CA 1.662 59.728 58.100 -0.057 0.000 1.164 241 Y CB -0.280 38.089 38.460 -0.151 0.000 0.982 241 Y HN 0.184 nan 8.280 nan 0.000 0.515 242 L N -1.526 119.767 121.223 0.116 0.000 2.156 242 L HA -0.211 4.133 4.340 0.008 0.000 0.208 242 L C 2.259 179.172 176.870 0.071 0.000 1.095 242 L CA 1.378 56.262 54.840 0.073 0.000 0.770 242 L CB -0.555 41.537 42.059 0.054 0.000 0.914 242 L HN 0.258 nan 8.230 nan 0.000 0.439 243 H N 0.239 119.305 119.070 -0.006 0.000 2.353 243 H HA -0.114 4.447 4.556 0.008 0.000 0.300 243 H C 2.173 177.483 175.328 -0.030 0.000 1.090 243 H CA 1.488 57.525 56.048 -0.019 0.000 1.327 243 H CB 0.138 29.882 29.762 -0.030 0.000 1.383 243 H HN 0.269 nan 8.280 nan 0.000 0.508 244 A N 0.522 123.323 122.820 -0.031 0.000 1.902 244 A HA -0.177 4.147 4.320 0.008 0.000 0.217 244 A C 2.300 179.844 177.584 -0.066 0.000 1.181 244 A CA 1.753 53.734 52.037 -0.093 0.000 0.623 244 A CB -0.475 18.440 19.000 -0.141 0.000 0.818 244 A HN 0.387 nan 8.150 nan 0.000 0.443 245 M N 0.067 119.660 119.600 -0.011 0.000 2.080 245 M HA -0.143 4.341 4.480 0.008 0.000 0.260 245 M C 1.454 177.747 176.300 -0.013 0.000 1.068 245 M CA 1.638 56.957 55.300 0.032 0.000 1.109 245 M CB -1.504 31.140 32.600 0.072 0.000 1.342 245 M HN 0.356 nan 8.290 nan 0.000 0.405 246 D N -0.431 119.932 120.400 -0.062 0.000 2.149 246 D HA -0.102 4.543 4.640 0.008 0.000 0.201 246 D C 2.222 178.439 176.300 -0.138 0.000 0.972 246 D CA 0.924 54.873 54.000 -0.084 0.000 0.835 246 D CB -0.129 40.620 40.800 -0.085 0.000 0.966 246 D HN 0.390 nan 8.370 nan 0.000 0.476 247 Q N -0.163 119.488 119.800 -0.247 0.000 2.302 247 Q HA 0.052 4.396 4.340 0.008 0.000 0.202 247 Q C 1.812 177.734 176.000 -0.130 0.000 0.936 247 Q CA 0.509 56.168 55.803 -0.240 0.000 0.886 247 Q CB 1.107 29.599 28.738 -0.410 0.000 0.986 247 Q HN 0.193 nan 8.270 nan 0.000 0.487 248 V N -1.305 118.548 119.914 -0.102 0.000 3.054 248 V HA -0.029 4.095 4.120 0.008 0.000 0.227 248 V C 2.036 178.114 176.094 -0.028 0.000 1.252 248 V CA 0.403 62.667 62.300 -0.060 0.000 1.279 248 V CB -0.003 31.784 31.823 -0.060 0.000 1.118 248 V HN -0.076 nan 8.190 nan 0.000 0.504 249 V N 0.664 120.574 119.914 -0.006 0.000 2.270 249 V HA -0.205 3.919 4.120 0.008 0.000 0.245 249 V C 2.342 178.457 176.094 0.035 0.000 1.043 249 V CA 2.161 64.479 62.300 0.030 0.000 1.014 249 V CB -0.532 31.340 31.823 0.082 0.000 0.645 249 V HN 0.396 nan 8.190 nan 0.000 0.447 250 L N -0.341 120.904 121.223 0.036 0.000 2.056 250 L HA -0.100 4.245 4.340 0.008 0.000 0.207 250 L C 0.057 176.944 176.870 0.028 0.000 1.078 250 L CA 1.649 56.514 54.840 0.042 0.000 0.749 250 L CB -1.832 40.253 42.059 0.043 0.000 0.901 250 L HN 0.350 nan 8.230 nan 0.000 0.433 251 P HA -0.183 nan 4.420 nan 0.000 0.215 251 P C 1.508 178.818 177.300 0.016 0.000 1.153 251 P CA 1.801 64.904 63.100 0.006 0.000 0.853 251 P CB -0.001 31.691 31.700 -0.015 0.000 0.788 252 A N -0.526 122.299 122.820 0.009 0.000 1.865 252 A HA -0.189 4.136 4.320 0.008 0.000 0.217 252 A C 2.226 179.846 177.584 0.060 0.000 1.191 252 A CA 1.595 53.638 52.037 0.011 0.000 0.623 252 A CB -1.698 17.291 19.000 -0.020 0.000 0.826 252 A HN 0.100 nan 8.150 nan 0.000 0.444 253 L N -1.141 120.118 121.223 0.060 0.000 2.042 253 L HA -0.218 4.126 4.340 0.008 0.000 0.210 253 L C 2.907 179.843 176.870 0.111 0.000 1.076 253 L CA 1.685 56.584 54.840 0.097 0.000 0.749 253 L CB -0.511 41.589 42.059 0.067 0.000 0.893 253 L HN 0.357 nan 8.230 nan 0.000 0.432 254 R N -0.186 120.357 120.500 0.072 0.000 2.092 254 R HA -0.104 4.241 4.340 0.008 0.000 0.231 254 R C 2.434 178.770 176.300 0.059 0.000 1.119 254 R CA 1.235 57.368 56.100 0.055 0.000 0.970 254 R CB -0.464 29.859 30.300 0.038 0.000 0.864 254 R HN 0.356 nan 8.270 nan 0.000 0.440 255 A N 0.250 123.113 122.820 0.071 0.000 1.933 255 A HA -0.206 4.119 4.320 0.008 0.000 0.218 255 A C 1.914 179.573 177.584 0.126 0.000 1.175 255 A CA 1.101 53.184 52.037 0.077 0.000 0.628 255 A CB -0.542 18.495 19.000 0.062 0.000 0.814 255 A HN 0.426 nan 8.150 nan 0.000 0.444 256 Y N -0.648 119.668 120.300 0.026 0.000 2.337 256 Y HA 0.050 4.606 4.550 0.010 0.000 0.293 256 Y C 0.451 176.367 175.900 0.027 0.000 1.123 256 Y CA 1.017 59.149 58.100 0.052 0.000 1.201 256 Y CB 0.324 38.819 38.460 0.059 0.000 1.011 256 Y HN 0.330 nan 8.280 nan 0.000 0.545 257 R N -0.046 120.438 120.500 -0.026 0.000 3.209 257 R HA -0.146 4.199 4.340 0.008 0.000 0.252 257 R C -2.839 173.344 176.300 -0.196 0.000 0.958 257 R CA 0.570 56.608 56.100 -0.104 0.000 0.651 257 R CB -2.739 27.488 30.300 -0.122 0.000 1.142 257 R HN 0.355 nan 8.270 nan 0.000 0.441 258 P HA 0.083 nan 4.420 nan 0.000 0.274 258 P C 0.225 177.499 177.300 -0.044 0.000 1.237 258 P CA -0.153 62.931 63.100 -0.025 0.000 0.793 258 P CB 0.651 32.454 31.700 0.172 0.000 0.977 259 Q N -0.097 119.671 119.800 -0.053 0.000 2.425 259 Q HA 0.226 4.571 4.340 0.008 0.000 0.204 259 Q C 0.084 176.070 176.000 -0.023 0.000 0.933 259 Q CA 0.595 56.373 55.803 -0.042 0.000 0.939 259 Q CB 0.025 28.733 28.738 -0.051 0.000 1.044 259 Q HN 0.287 nan 8.270 nan 0.000 0.513 260 L N -0.526 120.685 121.223 -0.020 0.000 2.549 260 L HA 0.489 4.834 4.340 0.008 0.000 0.259 260 L C -1.918 174.928 176.870 -0.039 0.000 0.934 260 L CA -0.571 54.253 54.840 -0.027 0.000 0.865 260 L CB 1.721 43.762 42.059 -0.030 0.000 1.352 260 L HN -0.102 nan 8.230 nan 0.000 0.410 261 I N 5.506 126.037 120.570 -0.065 0.000 2.389 261 I HA 0.468 4.642 4.170 0.008 0.000 0.288 261 I C -0.692 175.311 176.117 -0.189 0.000 0.999 261 I CA -0.415 60.819 61.300 -0.110 0.000 1.129 261 I CB 1.670 39.606 38.000 -0.106 0.000 1.288 261 I HN 0.487 nan 8.210 nan 0.000 0.444 262 I N 6.906 127.350 120.570 -0.209 0.000 2.354 262 I HA 0.341 4.516 4.170 0.008 0.000 0.292 262 I C -0.495 175.402 176.117 -0.367 0.000 0.989 262 I CA -0.795 60.346 61.300 -0.264 0.000 1.188 262 I CB 1.822 39.714 38.000 -0.181 0.000 1.342 262 I HN 0.167 nan 8.210 nan 0.000 0.457 263 V N 5.178 124.751 119.914 -0.568 0.000 2.370 263 V HA 0.403 4.528 4.120 0.008 0.000 0.283 263 V C 0.741 176.484 176.094 -0.585 0.000 1.023 263 V CA -0.633 61.241 62.300 -0.709 0.000 0.857 263 V CB 1.456 32.547 31.823 -1.220 0.000 0.985 263 V HN 0.906 nan 8.190 nan 0.000 0.443 264 G N 2.489 110.990 108.800 -0.499 0.000 2.519 264 G HA2 0.287 4.252 3.960 0.008 0.000 0.306 264 G HA3 0.287 4.252 3.960 0.008 0.000 0.306 264 G C 0.259 174.794 174.900 -0.608 0.000 0.965 264 G CA -0.068 44.776 45.100 -0.426 0.000 1.291 264 G HN 0.665 nan 8.290 nan 0.000 0.450 265 S N 2.499 117.857 115.700 -0.570 0.000 2.835 265 S HA 0.575 5.050 4.470 0.008 0.000 0.286 265 S C 0.882 175.156 174.600 -0.543 0.000 1.194 265 S CA -0.335 57.482 58.200 -0.639 0.000 1.031 265 S CB -0.207 62.862 63.200 -0.218 0.000 1.216 265 S HN 0.729 nan 8.310 nan 0.000 0.502 266 G N 2.168 110.713 108.800 -0.426 0.000 2.437 266 G HA2 0.591 4.555 3.960 0.008 0.000 0.319 266 G HA3 0.591 4.555 3.960 0.008 0.000 0.319 266 G C -0.363 174.171 174.900 -0.609 0.000 1.158 266 G CA -0.701 44.165 45.100 -0.390 0.000 0.899 266 G HN 0.694 nan 8.290 nan 0.000 0.502 267 F N -0.327 119.586 119.950 -0.061 0.000 2.735 267 F HA 0.166 4.697 4.527 0.007 0.000 0.304 267 F C 1.179 176.989 175.800 0.017 0.000 1.119 267 F CA -0.578 57.238 58.000 -0.306 0.000 1.280 267 F CB 0.997 39.636 39.000 -0.602 0.000 0.994 267 F HN 0.438 nan 8.300 nan 0.000 0.520 268 D N 0.173 120.705 120.400 0.220 0.000 2.363 268 D HA -0.028 4.616 4.640 0.008 0.000 0.226 268 D C 1.743 178.209 176.300 0.278 0.000 1.020 268 D CA 0.463 54.640 54.000 0.296 0.000 0.892 268 D CB -0.247 40.813 40.800 0.433 0.000 0.900 268 D HN 0.205 nan 8.370 nan 0.000 0.531 269 A N 0.452 123.456 122.820 0.307 0.000 2.238 269 A HA 0.147 4.471 4.320 0.008 0.000 0.208 269 A C 1.284 178.986 177.584 0.196 0.000 1.177 269 A CA 0.100 52.249 52.037 0.186 0.000 0.804 269 A CB -0.586 18.374 19.000 -0.067 0.000 0.823 269 A HN 0.289 nan 8.150 nan 0.000 0.482 270 S N -1.353 114.576 115.700 0.382 0.000 2.584 270 S HA 0.199 4.674 4.470 0.008 0.000 0.270 270 S C 1.049 175.801 174.600 0.254 0.000 1.346 270 S CA 0.301 58.737 58.200 0.393 0.000 1.018 270 S CB 0.373 63.878 63.200 0.508 0.000 0.899 270 S HN 0.357 nan 8.310 nan 0.000 0.542 271 M N 1.947 121.678 119.600 0.218 0.000 2.260 271 M HA 0.063 4.548 4.480 0.008 0.000 0.261 271 M C 0.956 177.314 176.300 0.098 0.000 1.066 271 M CA 1.744 57.105 55.300 0.103 0.000 1.082 271 M CB -0.582 32.032 32.600 0.022 0.000 1.388 271 M HN 0.770 nan 8.290 nan 0.000 0.419 272 L N -1.132 120.180 121.223 0.148 0.000 2.857 272 L HA 0.233 4.578 4.340 0.008 0.000 0.249 272 L C 0.213 177.199 176.870 0.192 0.000 1.172 272 L CA -0.420 54.496 54.840 0.125 0.000 0.980 272 L CB -0.227 41.862 42.059 0.050 0.000 1.299 272 L HN 0.084 nan 8.230 nan 0.000 0.535 273 D N 1.859 122.394 120.400 0.226 0.000 2.350 273 D HA 0.099 4.743 4.640 0.008 0.000 0.249 273 D C -1.433 175.008 176.300 0.234 0.000 1.119 273 D CA -1.317 52.842 54.000 0.265 0.000 0.886 273 D CB 2.193 43.179 40.800 0.311 0.000 1.195 273 D HN -0.029 nan 8.370 nan 0.000 0.437 274 P HA -0.018 nan 4.420 nan 0.000 0.222 274 P C 1.333 178.737 177.300 0.174 0.000 1.153 274 P CA 0.485 63.692 63.100 0.179 0.000 0.798 274 P CB 0.461 32.254 31.700 0.154 0.000 0.796 275 L N -1.613 119.752 121.223 0.236 0.000 2.653 275 L HA 0.395 4.740 4.340 0.008 0.000 0.231 275 L C 0.938 178.018 176.870 0.350 0.000 1.153 275 L CA -0.253 54.730 54.840 0.238 0.000 0.933 275 L CB -0.093 42.045 42.059 0.133 0.000 1.175 275 L HN -0.039 nan 8.230 nan 0.000 0.473 276 A N -0.633 122.346 122.820 0.265 0.000 2.581 276 A HA 0.681 5.005 4.320 0.008 0.000 0.290 276 A C -0.450 177.235 177.584 0.169 0.000 1.119 276 A CA -0.670 51.494 52.037 0.210 0.000 0.670 276 A CB 1.080 20.165 19.000 0.143 0.000 1.280 276 A HN 0.031 nan 8.150 nan 0.000 0.425 277 R N 0.085 120.673 120.500 0.146 0.000 2.700 277 R HA 0.291 4.636 4.340 0.008 0.000 0.377 277 R C -0.444 175.925 176.300 0.115 0.000 1.130 277 R CA -0.150 56.022 56.100 0.120 0.000 1.055 277 R CB 0.098 30.460 30.300 0.104 0.000 1.387 277 R HN 0.658 nan 8.270 nan 0.000 0.580 278 M N -0.040 119.639 119.600 0.131 0.000 2.494 278 M HA 0.432 4.916 4.480 0.008 0.000 0.300 278 M C 0.957 177.305 176.300 0.081 0.000 1.189 278 M CA -0.342 55.034 55.300 0.128 0.000 0.982 278 M CB 0.863 33.566 32.600 0.172 0.000 1.534 278 M HN -0.051 nan 8.290 nan 0.000 0.488 279 M N 0.451 120.077 119.600 0.044 0.000 2.705 279 M HA 0.229 4.714 4.480 0.008 0.000 0.387 279 M C -0.641 175.627 176.300 -0.054 0.000 1.204 279 M CA -0.182 55.123 55.300 0.009 0.000 0.905 279 M CB 0.524 33.128 32.600 0.007 0.000 1.394 279 M HN 0.220 nan 8.290 nan 0.000 0.515 280 V N 1.628 121.449 119.914 -0.154 0.000 2.637 280 V HA 0.188 4.313 4.120 0.008 0.000 0.296 280 V C 0.914 176.932 176.094 -0.127 0.000 1.046 280 V CA -0.006 62.082 62.300 -0.354 0.000 1.066 280 V CB 0.807 32.058 31.823 -0.954 0.000 0.968 280 V HN 0.544 nan 8.190 nan 0.000 0.483 281 T N 1.664 116.157 114.554 -0.102 0.000 2.922 281 T HA 0.641 4.996 4.350 0.008 0.000 0.281 281 T C 1.261 176.062 174.700 0.167 0.000 1.005 281 T CA -0.099 62.099 62.100 0.163 0.000 0.982 281 T CB 1.713 70.651 68.868 0.117 0.000 1.158 281 T HN 0.709 nan 8.240 nan 0.000 0.566 282 A N 0.203 123.185 122.820 0.270 0.000 1.940 282 A HA -0.111 4.214 4.320 0.008 0.000 0.219 282 A C 1.959 179.628 177.584 0.141 0.000 1.176 282 A CA 2.321 54.449 52.037 0.152 0.000 0.631 282 A CB -1.424 17.604 19.000 0.046 0.000 0.814 282 A HN 0.999 nan 8.150 nan 0.000 0.446 283 D N -0.964 119.521 120.400 0.142 0.000 2.178 283 D HA -0.006 4.638 4.640 0.008 0.000 0.202 283 D C 1.965 178.277 176.300 0.020 0.000 0.974 283 D CA 1.465 55.527 54.000 0.104 0.000 0.841 283 D CB -0.368 40.533 40.800 0.169 0.000 0.953 283 D HN 0.312 nan 8.370 nan 0.000 0.478 284 G N -0.549 108.208 108.800 -0.070 0.000 2.433 284 G HA2 -0.267 3.698 3.960 0.008 0.000 0.216 284 G HA3 -0.267 3.698 3.960 0.008 0.000 0.216 284 G C 1.352 176.081 174.900 -0.285 0.000 1.186 284 G CA 0.601 45.564 45.100 -0.228 0.000 0.779 284 G HN 0.258 nan 8.290 nan 0.000 0.543 285 F N 0.814 120.676 119.950 -0.147 0.000 2.126 285 F HA -0.001 4.530 4.527 0.007 0.000 0.299 285 F C 2.704 178.450 175.800 -0.090 0.000 1.096 285 F CA 1.422 59.315 58.000 -0.180 0.000 1.255 285 F CB -0.427 38.543 39.000 -0.051 0.000 0.997 285 F HN 0.036 nan 8.300 nan 0.000 0.479 286 R N 0.425 121.005 120.500 0.133 0.000 2.083 286 R HA -0.220 4.125 4.340 0.008 0.000 0.237 286 R C 2.131 178.478 176.300 0.079 0.000 1.137 286 R CA 1.986 58.144 56.100 0.096 0.000 0.951 286 R CB -0.315 30.025 30.300 0.066 0.000 0.851 286 R HN 0.365 nan 8.270 nan 0.000 0.434 287 Q N -0.530 119.291 119.800 0.035 0.000 2.123 287 Q HA -0.108 4.237 4.340 0.008 0.000 0.199 287 Q C 2.250 178.276 176.000 0.043 0.000 0.966 287 Q CA 1.472 57.296 55.803 0.035 0.000 0.845 287 Q CB 0.024 28.768 28.738 0.011 0.000 0.907 287 Q HN 0.409 nan 8.270 nan 0.000 0.439 288 M N -0.079 119.503 119.600 -0.031 0.000 2.086 288 M HA -0.172 4.312 4.480 0.008 0.000 0.261 288 M C 2.342 178.753 176.300 0.184 0.000 1.067 288 M CA 1.460 56.726 55.300 -0.057 0.000 1.116 288 M CB -0.351 31.959 32.600 -0.484 0.000 1.348 288 M HN 0.272 nan 8.290 nan 0.000 0.407 289 A N 0.212 123.191 122.820 0.266 0.000 1.877 289 A HA -0.224 4.101 4.320 0.008 0.000 0.216 289 A C 2.058 179.871 177.584 0.382 0.000 1.186 289 A CA 2.045 54.403 52.037 0.534 0.000 0.620 289 A CB -0.668 18.570 19.000 0.396 0.000 0.822 289 A HN 0.407 nan 8.150 nan 0.000 0.443 290 R N -0.083 120.554 120.500 0.229 0.000 2.083 290 R HA -0.119 4.226 4.340 0.008 0.000 0.237 290 R C 2.258 178.664 176.300 0.177 0.000 1.137 290 R CA 2.092 58.296 56.100 0.173 0.000 0.951 290 R CB -0.480 29.889 30.300 0.113 0.000 0.851 290 R HN 0.537 nan 8.270 nan 0.000 0.434 291 R N -1.073 119.529 120.500 0.170 0.000 2.081 291 R HA -0.067 4.278 4.340 0.008 0.000 0.235 291 R C 2.137 178.547 176.300 0.184 0.000 1.131 291 R CA 2.083 58.273 56.100 0.151 0.000 0.960 291 R CB -0.312 30.066 30.300 0.130 0.000 0.856 291 R HN 0.323 nan 8.270 nan 0.000 0.436 292 T N 0.744 115.460 114.554 0.270 0.000 2.812 292 T HA -0.006 4.349 4.350 0.008 0.000 0.264 292 T C 1.861 176.691 174.700 0.217 0.000 1.042 292 T CA 0.916 63.172 62.100 0.260 0.000 1.140 292 T CB -0.064 69.023 68.868 0.364 0.000 0.870 292 T HN 0.114 nan 8.240 nan 0.000 0.445 293 I N 1.503 122.245 120.570 0.286 0.000 2.226 293 I HA -0.158 4.016 4.170 0.008 0.000 0.245 293 I C 2.279 178.491 176.117 0.159 0.000 1.100 293 I CA 1.143 62.591 61.300 0.246 0.000 1.374 293 I CB -0.330 37.841 38.000 0.286 0.000 1.057 293 I HN 0.089 nan 8.210 nan 0.000 0.413 294 D N 0.060 120.546 120.400 0.143 0.000 2.117 294 D HA -0.202 4.442 4.640 0.008 0.000 0.197 294 D C 2.212 178.564 176.300 0.087 0.000 0.987 294 D CA 1.147 55.209 54.000 0.103 0.000 0.829 294 D CB -0.534 40.323 40.800 0.094 0.000 0.961 294 D HN 0.395 nan 8.370 nan 0.000 0.460 295 C N 0.975 120.331 119.300 0.094 0.000 2.429 295 C HA -0.001 4.463 4.460 0.008 0.000 0.277 295 C C 2.869 177.897 174.990 0.064 0.000 1.262 295 C CA 1.337 60.400 59.018 0.075 0.000 1.733 295 C CB -1.055 26.733 27.740 0.080 0.000 2.010 295 C HN 0.329 nan 8.230 nan 0.000 0.483 296 A N 0.445 123.307 122.820 0.070 0.000 1.940 296 A HA 0.065 4.389 4.320 0.008 0.000 0.219 296 A C 2.494 180.110 177.584 0.053 0.000 1.176 296 A CA 2.288 54.357 52.037 0.053 0.000 0.631 296 A CB -1.175 17.859 19.000 0.056 0.000 0.814 296 A HN 0.888 nan 8.150 nan 0.000 0.446 297 A N 0.016 122.875 122.820 0.065 0.000 1.940 297 A HA -0.211 4.114 4.320 0.008 0.000 0.219 297 A C 1.766 179.376 177.584 0.043 0.000 1.176 297 A CA 2.004 54.075 52.037 0.056 0.000 0.631 297 A CB -0.553 18.484 19.000 0.062 0.000 0.814 297 A HN 0.482 nan 8.150 nan 0.000 0.446 298 D N -0.242 120.184 120.400 0.043 0.000 2.123 298 D HA -0.088 4.556 4.640 0.008 0.000 0.200 298 D C 1.890 178.206 176.300 0.026 0.000 0.976 298 D CA 1.799 55.819 54.000 0.034 0.000 0.831 298 D CB -0.236 40.585 40.800 0.036 0.000 0.974 298 D HN 0.734 nan 8.370 nan 0.000 0.469 299 I N -2.053 118.533 120.570 0.027 0.000 3.939 299 I HA 0.166 4.341 4.170 0.008 0.000 0.313 299 I C 0.674 176.796 176.117 0.008 0.000 1.274 299 I CA 0.006 61.316 61.300 0.017 0.000 1.301 299 I CB 0.482 38.496 38.000 0.022 0.000 1.105 299 I HN 0.003 nan 8.210 nan 0.000 0.427 300 C N -0.341 118.968 119.300 0.014 0.000 3.151 300 C HA 0.485 4.950 4.460 0.008 0.000 0.249 300 C C 0.080 175.078 174.990 0.014 0.000 2.249 300 C CA -0.846 58.176 59.018 0.007 0.000 1.517 300 C CB -0.982 26.759 27.740 0.001 0.000 2.989 300 C HN 0.509 nan 8.230 nan 0.000 0.476 301 D N 1.162 121.573 120.400 0.018 0.000 2.911 301 D HA -0.163 4.481 4.640 0.008 0.000 0.227 301 D C 1.473 177.793 176.300 0.034 0.000 1.164 301 D CA 2.319 56.333 54.000 0.023 0.000 0.782 301 D CB -1.456 39.355 40.800 0.018 0.000 1.094 301 D HN 1.730 nan 8.370 nan 0.000 0.425 302 G N -0.077 108.747 108.800 0.040 0.000 2.162 302 G HA2 -0.397 3.568 3.960 0.008 0.000 0.260 302 G HA3 -0.397 3.568 3.960 0.008 0.000 0.260 302 G C 0.288 175.223 174.900 0.057 0.000 0.976 302 G CA 0.321 45.455 45.100 0.057 0.000 0.655 302 G HN 0.489 nan 8.290 nan 0.000 0.533 303 R N 0.072 120.594 120.500 0.037 0.000 2.309 303 R HA 0.552 4.896 4.340 0.008 0.000 0.331 303 R C -0.058 176.249 176.300 0.011 0.000 1.116 303 R CA 0.153 56.270 56.100 0.030 0.000 0.970 303 R CB 0.350 30.660 30.300 0.017 0.000 1.024 303 R HN 0.465 nan 8.270 nan 0.000 0.472 304 I N 2.199 122.784 120.570 0.024 0.000 2.607 304 I HA 0.280 4.454 4.170 0.008 0.000 0.290 304 I C -1.525 174.585 176.117 -0.012 0.000 1.129 304 I CA -0.971 60.306 61.300 -0.038 0.000 1.042 304 I CB 2.145 40.128 38.000 -0.028 0.000 1.242 304 I HN 0.231 nan 8.210 nan 0.000 0.421 305 V N 8.142 127.976 119.914 -0.134 0.000 2.443 305 V HA 0.523 4.648 4.120 0.008 0.000 0.293 305 V C -1.189 174.752 176.094 -0.255 0.000 1.021 305 V CA -0.270 61.983 62.300 -0.077 0.000 0.848 305 V CB 1.569 33.357 31.823 -0.058 0.000 0.998 305 V HN 0.561 nan 8.190 nan 0.000 0.424 306 F N 5.365 125.179 119.950 -0.226 0.000 2.394 306 F HA 0.655 5.186 4.527 0.006 0.000 0.340 306 F C 0.238 175.672 175.800 -0.609 0.000 1.105 306 F CA -0.376 57.345 58.000 -0.466 0.000 1.124 306 F CB 1.911 40.546 39.000 -0.609 0.000 1.145 306 F HN 0.226 nan 8.300 nan 0.000 0.505 307 V N 2.965 122.649 119.914 -0.383 0.000 2.483 307 V HA 0.278 4.402 4.120 0.008 0.000 0.297 307 V C -0.356 175.575 176.094 -0.272 0.000 1.027 307 V CA -1.072 61.045 62.300 -0.305 0.000 0.855 307 V CB 1.497 33.199 31.823 -0.202 0.000 0.995 307 V HN 0.611 nan 8.190 nan 0.000 0.424 308 Q N 3.822 123.536 119.800 -0.143 0.000 2.300 308 Q HA 0.140 4.484 4.340 0.008 0.000 0.280 308 Q C 0.253 176.199 176.000 -0.090 0.000 1.033 308 Q CA 0.990 56.796 55.803 0.006 0.000 0.903 308 Q CB 0.646 29.510 28.738 0.211 0.000 1.195 308 Q HN 0.748 nan 8.270 nan 0.000 0.386 309 E N 1.979 122.091 120.200 -0.146 0.000 3.834 309 E HA 0.449 4.804 4.350 0.008 0.000 0.318 309 E C 0.184 176.740 176.600 -0.074 0.000 0.680 309 E CA -0.094 56.200 56.400 -0.177 0.000 1.860 309 E CB -0.593 28.863 29.700 -0.407 0.000 2.061 309 E HN 0.714 nan 8.360 nan 0.000 0.447 310 G N -1.078 107.692 108.800 -0.050 0.000 2.510 310 G HA2 0.495 4.459 3.960 0.008 0.000 0.280 310 G HA3 0.495 4.459 3.960 0.008 0.000 0.280 310 G C -0.221 174.553 174.900 -0.210 0.000 1.386 310 G CA 0.092 45.183 45.100 -0.014 0.000 1.047 310 G HN 0.539 nan 8.290 nan 0.000 0.527 311 G N -3.003 105.407 108.800 -0.649 0.000 2.634 311 G HA2 0.246 4.211 3.960 0.008 0.000 0.568 311 G HA3 0.246 4.211 3.960 0.008 0.000 0.568 311 G C -0.940 173.467 174.900 -0.823 0.000 1.495 311 G CA -0.512 44.340 45.100 -0.412 0.000 0.903 311 G HN 0.727 nan 8.290 nan 0.000 0.646 312 Y N 0.858 121.284 120.300 0.209 0.000 2.767 312 Y HA 0.518 5.073 4.550 0.008 0.000 0.254 312 Y C 1.263 177.248 175.900 0.142 0.000 1.133 312 Y CA -0.137 58.072 58.100 0.182 0.000 1.225 312 Y CB 1.363 39.948 38.460 0.208 0.000 1.312 312 Y HN 0.651 nan 8.280 nan 0.000 0.560 313 S N 3.631 119.438 115.700 0.178 0.000 2.423 313 S HA 0.251 4.725 4.470 0.008 0.000 0.317 313 S C -1.644 172.968 174.600 0.020 0.000 1.065 313 S CA -1.677 56.609 58.200 0.143 0.000 1.111 313 S CB 0.850 64.178 63.200 0.214 0.000 0.968 313 S HN 0.030 nan 8.310 nan 0.000 0.474 314 P HA -0.108 nan 4.420 nan 0.000 0.223 314 P C 0.843 178.047 177.300 -0.161 0.000 1.151 314 P CA 1.006 64.011 63.100 -0.158 0.000 0.787 314 P CB -0.015 31.546 31.700 -0.232 0.000 0.788 315 H N -1.770 117.361 119.070 0.103 0.000 2.333 315 H HA -0.083 4.478 4.556 0.008 0.000 0.302 315 H C 1.727 177.155 175.328 0.167 0.000 1.075 315 H CA 1.305 57.433 56.048 0.133 0.000 1.348 315 H CB -0.823 28.989 29.762 0.084 0.000 1.393 315 H HN 0.176 nan 8.280 nan 0.000 0.509 316 Y N 0.694 120.998 120.300 0.007 0.000 2.535 316 Y HA 0.136 4.691 4.550 0.008 0.000 0.266 316 Y C 2.408 178.262 175.900 -0.077 0.000 1.088 316 Y CA -0.227 57.819 58.100 -0.089 0.000 1.285 316 Y CB -0.308 38.019 38.460 -0.222 0.000 1.166 316 Y HN -0.004 nan 8.280 nan 0.000 0.525 317 L N 1.146 122.285 121.223 -0.141 0.000 2.043 317 L HA -0.147 4.197 4.340 0.008 0.000 0.212 317 L C -0.897 175.569 176.870 -0.673 0.000 1.075 317 L CA 1.777 56.386 54.840 -0.384 0.000 0.752 317 L CB -1.198 40.753 42.059 -0.180 0.000 0.891 317 L HN 0.051 nan 8.230 nan 0.000 0.432 318 P HA -0.185 nan 4.420 nan 0.000 0.216 318 P C 1.234 178.026 177.300 -0.846 0.000 1.150 318 P CA 1.704 64.422 63.100 -0.637 0.000 0.843 318 P CB -0.116 31.278 31.700 -0.510 0.000 0.787 319 F N -1.426 118.247 119.950 -0.462 0.000 2.259 319 F HA -0.118 4.413 4.527 0.007 0.000 0.298 319 F C 2.449 177.865 175.800 -0.640 0.000 1.088 319 F CA 0.750 58.498 58.000 -0.418 0.000 1.358 319 F CB -1.503 37.389 39.000 -0.180 0.000 1.040 319 F HN -0.028 nan 8.300 nan 0.000 0.505 320 C N 0.017 118.817 119.300 -0.833 0.000 2.453 320 C HA -0.075 4.389 4.460 0.008 0.000 0.277 320 C C 3.158 177.290 174.990 -1.430 0.000 1.262 320 C CA 1.270 59.681 59.018 -1.011 0.000 1.718 320 C CB -1.622 25.374 27.740 -1.240 0.000 2.031 320 C HN 0.632 nan 8.230 nan 0.000 0.480 321 G N 0.210 107.791 108.800 -2.032 0.000 2.418 321 G HA2 -0.194 3.771 3.960 0.008 0.000 0.217 321 G HA3 -0.194 3.771 3.960 0.008 0.000 0.217 321 G C 1.535 175.882 174.900 -0.921 0.000 1.158 321 G CA 0.837 44.674 45.100 -2.105 0.000 0.771 321 G HN 0.448 nan 8.290 nan 0.000 0.545 322 L N 1.379 122.199 121.223 -0.672 0.000 2.042 322 L HA 0.056 4.401 4.340 0.008 0.000 0.210 322 L C 3.111 179.873 176.870 -0.179 0.000 1.076 322 L CA 2.091 56.787 54.840 -0.240 0.000 0.749 322 L CB -0.594 41.344 42.059 -0.201 0.000 0.893 322 L HN 0.248 nan 8.230 nan 0.000 0.432 323 A N -1.277 121.417 122.820 -0.209 0.000 1.908 323 A HA -0.184 4.140 4.320 0.008 0.000 0.218 323 A C 2.253 179.806 177.584 -0.051 0.000 1.181 323 A CA 2.166 54.150 52.037 -0.088 0.000 0.627 323 A CB -1.103 17.866 19.000 -0.053 0.000 0.818 323 A HN 0.312 nan 8.150 nan 0.000 0.445 324 V N 0.578 120.449 119.914 -0.073 0.000 2.307 324 V HA -0.230 3.895 4.120 0.008 0.000 0.245 324 V C 2.443 178.503 176.094 -0.056 0.000 1.045 324 V CA 1.633 63.939 62.300 0.009 0.000 1.024 324 V CB -0.687 31.239 31.823 0.171 0.000 0.651 324 V HN 0.512 nan 8.190 nan 0.000 0.449 325 I N 0.338 120.860 120.570 -0.080 0.000 2.151 325 I HA -0.258 3.916 4.170 0.008 0.000 0.243 325 I C 2.554 178.650 176.117 -0.034 0.000 1.080 325 I CA 1.797 63.062 61.300 -0.058 0.000 1.339 325 I CB -1.262 36.689 38.000 -0.082 0.000 1.039 325 I HN 0.485 nan 8.210 nan 0.000 0.409 326 E N 0.367 120.543 120.200 -0.041 0.000 2.153 326 E HA -0.219 4.136 4.350 0.008 0.000 0.194 326 E C 1.965 178.559 176.600 -0.011 0.000 0.988 326 E CA 0.855 57.236 56.400 -0.033 0.000 0.811 326 E CB -0.018 29.663 29.700 -0.032 0.000 0.746 326 E HN 0.449 nan 8.360 nan 0.000 0.466 327 E N 0.552 120.757 120.200 0.008 0.000 2.150 327 E HA -0.118 4.237 4.350 0.008 0.000 0.193 327 E C 2.169 178.802 176.600 0.056 0.000 0.985 327 E CA 0.595 57.020 56.400 0.041 0.000 0.814 327 E CB -0.081 29.664 29.700 0.075 0.000 0.752 327 E HN 0.326 nan 8.360 nan 0.000 0.466 328 L N 0.657 121.906 121.223 0.043 0.000 2.072 328 L HA -0.111 4.234 4.340 0.008 0.000 0.205 328 L C 2.568 179.478 176.870 0.066 0.000 1.079 328 L CA 1.699 56.587 54.840 0.081 0.000 0.752 328 L CB -0.494 41.622 42.059 0.096 0.000 0.906 328 L HN 0.191 nan 8.230 nan 0.000 0.436 329 T N -4.087 110.485 114.554 0.030 0.000 3.043 329 T HA 0.117 4.472 4.350 0.008 0.000 0.263 329 T C 1.589 176.269 174.700 -0.033 0.000 1.094 329 T CA 0.573 62.677 62.100 0.007 0.000 1.127 329 T CB 0.202 69.059 68.868 -0.019 0.000 0.905 329 T HN 0.444 nan 8.240 nan 0.000 0.490 330 G N 0.713 109.496 108.800 -0.028 0.000 2.168 330 G HA2 -0.228 3.737 3.960 0.008 0.000 0.263 330 G HA3 -0.228 3.737 3.960 0.008 0.000 0.263 330 G C 0.089 174.936 174.900 -0.089 0.000 0.977 330 G CA 0.128 45.205 45.100 -0.038 0.000 0.659 330 G HN 0.758 nan 8.290 nan 0.000 0.533 331 V N 1.262 121.087 119.914 -0.148 0.000 2.318 331 V HA 0.478 4.603 4.120 0.008 0.000 0.271 331 V C 0.653 176.674 176.094 -0.121 0.000 1.030 331 V CA -0.478 61.694 62.300 -0.213 0.000 0.844 331 V CB 1.111 32.632 31.823 -0.502 0.000 1.015 331 V HN 0.342 nan 8.190 nan 0.000 0.460 332 R N 3.211 123.664 120.500 -0.079 0.000 2.575 332 R HA 0.303 4.648 4.340 0.008 0.000 0.281 332 R C 0.603 176.883 176.300 -0.034 0.000 1.272 332 R CA -0.058 56.015 56.100 -0.045 0.000 1.417 332 R CB 0.867 31.149 30.300 -0.030 0.000 1.121 332 R HN 0.773 nan 8.270 nan 0.000 0.583 333 S N 0.700 116.384 115.700 -0.026 0.000 2.629 333 S HA 0.196 4.670 4.470 0.008 0.000 0.236 333 S C 0.078 174.681 174.600 0.006 0.000 1.010 333 S CA -0.383 57.809 58.200 -0.012 0.000 0.981 333 S CB 0.329 63.525 63.200 -0.007 0.000 0.919 333 S HN 0.281 nan 8.310 nan 0.000 0.514 334 L N 2.466 123.699 121.223 0.017 0.000 2.464 334 L HA 0.692 5.036 4.340 0.008 0.000 0.266 334 L C -2.850 174.048 176.870 0.045 0.000 0.965 334 L CA -1.621 53.245 54.840 0.044 0.000 0.833 334 L CB 1.523 43.635 42.059 0.088 0.000 1.296 334 L HN -0.075 nan 8.230 nan 0.000 0.405 335 P HA 0.239 nan 4.420 nan 0.000 0.274 335 P C -1.335 175.961 177.300 -0.006 0.000 1.237 335 P CA -0.344 62.750 63.100 -0.011 0.000 0.793 335 P CB 0.461 32.133 31.700 -0.046 0.000 0.977 336 D N 1.845 122.245 120.400 -0.000 0.000 2.338 336 D HA 0.062 4.706 4.640 0.008 0.000 0.255 336 D C -1.447 174.778 176.300 -0.124 0.000 1.237 336 D CA -2.036 51.943 54.000 -0.035 0.000 0.883 336 D CB 0.455 41.369 40.800 0.188 0.000 1.087 336 D HN 0.132 nan 8.370 nan 0.000 0.485 337 P HA -0.082 nan 4.420 nan 0.000 0.233 337 P C 0.435 177.497 177.300 -0.396 0.000 1.167 337 P CA 0.668 63.528 63.100 -0.399 0.000 0.770 337 P CB -0.027 31.331 31.700 -0.571 0.000 0.837 338 Y N -2.111 118.097 120.300 -0.154 0.000 2.466 338 Y HA 0.062 4.617 4.550 0.007 0.000 0.272 338 Y C 2.588 178.509 175.900 0.035 0.000 1.169 338 Y CA 0.047 58.105 58.100 -0.070 0.000 1.285 338 Y CB -0.824 37.528 38.460 -0.179 0.000 1.078 338 Y HN 0.050 nan 8.280 nan 0.000 0.523 339 H N 1.261 120.389 119.070 0.096 0.000 2.289 339 H HA -0.230 4.331 4.556 0.008 0.000 0.296 339 H C 2.343 177.708 175.328 0.061 0.000 1.091 339 H CA 2.501 58.598 56.048 0.082 0.000 1.274 339 H CB 0.110 29.898 29.762 0.042 0.000 1.364 339 H HN 0.510 nan 8.280 nan 0.000 0.490 340 E N -0.570 119.717 120.200 0.144 0.000 2.031 340 E HA -0.239 4.116 4.350 0.008 0.000 0.193 340 E C 2.159 178.786 176.600 0.045 0.000 0.994 340 E CA 1.252 57.702 56.400 0.083 0.000 0.800 340 E CB -0.689 29.059 29.700 0.080 0.000 0.752 340 E HN 0.532 nan 8.360 nan 0.000 0.447 341 F N 1.825 121.741 119.950 -0.057 0.000 2.120 341 F HA -0.167 4.364 4.527 0.007 0.000 0.300 341 F C 2.073 177.828 175.800 -0.075 0.000 1.095 341 F CA 1.730 59.696 58.000 -0.057 0.000 1.249 341 F CB -0.085 38.892 39.000 -0.039 0.000 0.995 341 F HN 0.002 nan 8.300 nan 0.000 0.480 342 L N -0.773 120.407 121.223 -0.072 0.000 2.375 342 L HA 0.071 4.416 4.340 0.008 0.000 0.215 342 L C 2.668 179.405 176.870 -0.221 0.000 1.108 342 L CA 0.585 55.305 54.840 -0.199 0.000 0.830 342 L CB -1.082 40.904 42.059 -0.122 0.000 0.959 342 L HN 0.188 nan 8.230 nan 0.000 0.457 343 A N 0.896 123.581 122.820 -0.225 0.000 1.917 343 A HA -0.188 4.137 4.320 0.008 0.000 0.219 343 A C 2.176 179.666 177.584 -0.156 0.000 1.182 343 A CA 2.041 53.944 52.037 -0.223 0.000 0.633 343 A CB -1.037 17.855 19.000 -0.181 0.000 0.819 343 A HN 0.437 nan 8.150 nan 0.000 0.448 344 G N -1.835 106.868 108.800 -0.160 0.000 3.141 344 G HA2 0.267 4.232 3.960 0.008 0.000 0.218 344 G HA3 0.267 4.232 3.960 0.008 0.000 0.218 344 G C 1.184 176.000 174.900 -0.139 0.000 1.170 344 G CA 0.331 45.352 45.100 -0.131 0.000 0.769 344 G HN 0.458 nan 8.290 nan 0.000 0.546 345 M N 0.223 119.726 119.600 -0.163 0.000 2.514 345 M HA 0.266 4.751 4.480 0.008 0.000 0.258 345 M C 1.310 177.553 176.300 -0.095 0.000 1.119 345 M CA 0.887 56.100 55.300 -0.146 0.000 1.111 345 M CB 0.252 32.746 32.600 -0.176 0.000 1.390 345 M HN 0.294 nan 8.290 nan 0.000 0.475 346 G N -0.708 108.042 108.800 -0.084 0.000 2.483 346 G HA2 0.166 4.130 3.960 0.008 0.000 0.521 346 G HA3 0.166 4.130 3.960 0.008 0.000 0.521 346 G C 0.258 175.129 174.900 -0.048 0.000 1.278 346 G CA -0.538 44.527 45.100 -0.058 0.000 0.965 346 G HN 0.586 nan 8.290 nan 0.000 0.504 347 G N -1.381 107.401 108.800 -0.031 0.000 2.213 347 G HA2 -0.258 3.707 3.960 0.008 0.000 0.236 347 G HA3 -0.258 3.707 3.960 0.008 0.000 0.236 347 G C 0.881 175.770 174.900 -0.018 0.000 0.991 347 G CA 1.105 46.195 45.100 -0.017 0.000 0.629 347 G HN 1.389 nan 8.290 nan 0.000 0.517 348 N N 0.905 119.589 118.700 -0.027 0.000 2.322 348 N HA 0.133 4.877 4.740 0.008 0.000 0.194 348 N C -0.140 175.358 175.510 -0.019 0.000 1.126 348 N CA 0.964 54.000 53.050 -0.022 0.000 0.845 348 N CB 0.339 38.810 38.487 -0.026 0.000 0.976 348 N HN 0.437 nan 8.380 nan 0.000 0.475 349 T N 0.956 115.496 114.554 -0.023 0.000 2.807 349 T HA 0.266 4.620 4.350 0.008 0.000 0.279 349 T C -0.315 174.363 174.700 -0.038 0.000 0.993 349 T CA -0.566 61.516 62.100 -0.029 0.000 0.970 349 T CB 2.269 71.119 68.868 -0.029 0.000 0.950 349 T HN -0.081 nan 8.240 nan 0.000 0.441 350 L N 5.143 126.332 121.223 -0.057 0.000 2.456 350 L HA 0.350 4.694 4.340 0.008 0.000 0.277 350 L C -0.439 176.381 176.870 -0.083 0.000 1.124 350 L CA 0.095 54.882 54.840 -0.088 0.000 0.880 350 L CB -0.423 41.536 42.059 -0.165 0.000 1.192 350 L HN 0.548 nan 8.230 nan 0.000 0.463 351 L N 4.512 125.697 121.223 -0.063 0.000 2.436 351 L HA 0.181 4.526 4.340 0.008 0.000 0.265 351 L C 1.163 177.997 176.870 -0.061 0.000 1.168 351 L CA -0.590 54.219 54.840 -0.051 0.000 0.815 351 L CB 0.429 42.468 42.059 -0.032 0.000 1.109 351 L HN 0.606 nan 8.230 nan 0.000 0.462 352 D N 1.524 121.894 120.400 -0.049 0.000 2.144 352 D HA -0.138 4.507 4.640 0.008 0.000 0.199 352 D C 1.865 178.139 176.300 -0.043 0.000 0.984 352 D CA 1.578 55.548 54.000 -0.049 0.000 0.834 352 D CB 0.241 41.019 40.800 -0.037 0.000 0.955 352 D HN 0.720 nan 8.370 nan 0.000 0.465 353 A N 1.084 123.884 122.820 -0.034 0.000 1.969 353 A HA -0.188 4.136 4.320 0.008 0.000 0.218 353 A C 2.050 179.611 177.584 -0.039 0.000 1.169 353 A CA 1.267 53.286 52.037 -0.030 0.000 0.635 353 A CB -0.353 18.636 19.000 -0.018 0.000 0.810 353 A HN 0.199 nan 8.150 nan 0.000 0.445 354 E N -0.717 119.456 120.200 -0.045 0.000 2.046 354 E HA -0.146 4.208 4.350 0.008 0.000 0.190 354 E C 2.291 178.858 176.600 -0.056 0.000 0.982 354 E CA 0.932 57.300 56.400 -0.054 0.000 0.800 354 E CB -0.185 29.483 29.700 -0.054 0.000 0.756 354 E HN 0.571 nan 8.360 nan 0.000 0.449 355 R N 0.827 121.279 120.500 -0.080 0.000 2.083 355 R HA -0.184 4.161 4.340 0.008 0.000 0.237 355 R C 2.304 178.590 176.300 -0.023 0.000 1.137 355 R CA 1.478 57.527 56.100 -0.086 0.000 0.951 355 R CB -0.286 29.930 30.300 -0.140 0.000 0.851 355 R HN 0.172 nan 8.270 nan 0.000 0.434 356 A N 0.651 123.451 122.820 -0.033 0.000 1.908 356 A HA -0.164 4.161 4.320 0.008 0.000 0.218 356 A C 2.355 179.922 177.584 -0.029 0.000 1.181 356 A CA 1.897 53.919 52.037 -0.024 0.000 0.627 356 A CB -0.806 18.178 19.000 -0.026 0.000 0.818 356 A HN 0.567 nan 8.150 nan 0.000 0.445 357 A N -0.310 122.483 122.820 -0.044 0.000 1.902 357 A HA -0.065 4.259 4.320 0.008 0.000 0.217 357 A C 2.118 179.666 177.584 -0.061 0.000 1.181 357 A CA 1.578 53.574 52.037 -0.069 0.000 0.623 357 A CB -0.557 18.387 19.000 -0.093 0.000 0.818 357 A HN 0.511 nan 8.150 nan 0.000 0.443 358 I N -0.469 120.083 120.570 -0.030 0.000 2.286 358 I HA -0.168 4.007 4.170 0.008 0.000 0.245 358 I C 2.338 178.453 176.117 -0.003 0.000 1.104 358 I CA 1.002 62.295 61.300 -0.012 0.000 1.397 358 I CB -0.355 37.690 38.000 0.074 0.000 1.072 358 I HN 0.297 nan 8.210 nan 0.000 0.417 359 E N 1.045 121.258 120.200 0.022 0.000 2.118 359 E HA -0.265 4.089 4.350 0.008 0.000 0.195 359 E C 1.936 178.532 176.600 -0.007 0.000 0.992 359 E CA 1.221 57.631 56.400 0.016 0.000 0.804 359 E CB -0.293 29.421 29.700 0.024 0.000 0.741 359 E HN 0.587 nan 8.360 nan 0.000 0.458 360 E N 0.200 120.390 120.200 -0.017 0.000 2.171 360 E HA -0.181 4.174 4.350 0.008 0.000 0.197 360 E C 1.896 178.482 176.600 -0.024 0.000 0.997 360 E CA 0.743 57.131 56.400 -0.021 0.000 0.810 360 E CB 0.013 29.695 29.700 -0.030 0.000 0.738 360 E HN 0.230 nan 8.360 nan 0.000 0.467 361 I N 0.107 120.659 120.570 -0.031 0.000 2.852 361 I HA -0.118 4.056 4.170 0.008 0.000 0.264 361 I C 2.280 178.375 176.117 -0.038 0.000 1.179 361 I CA 0.562 61.840 61.300 -0.037 0.000 1.480 361 I CB -0.958 37.014 38.000 -0.047 0.000 1.111 361 I HN -0.025 nan 8.210 nan 0.000 0.441 362 V N 2.590 122.483 119.914 -0.034 0.000 2.324 362 V HA -0.182 3.943 4.120 0.008 0.000 0.250 362 V C -0.050 176.024 176.094 -0.033 0.000 1.060 362 V CA 2.087 64.366 62.300 -0.035 0.000 1.042 362 V CB -2.141 29.666 31.823 -0.028 0.000 0.650 362 V HN 0.277 nan 8.190 nan 0.000 0.450 363 P HA -0.141 nan 4.420 nan 0.000 0.218 363 P C 1.742 179.020 177.300 -0.037 0.000 1.146 363 P CA 1.325 64.410 63.100 -0.025 0.000 0.813 363 P CB -0.142 31.548 31.700 -0.017 0.000 0.778 364 L N -1.854 119.339 121.223 -0.049 0.000 2.275 364 L HA -0.095 4.249 4.340 0.008 0.000 0.215 364 L C 2.258 179.070 176.870 -0.097 0.000 1.119 364 L CA 0.804 55.597 54.840 -0.077 0.000 0.790 364 L CB -0.931 41.077 42.059 -0.086 0.000 0.919 364 L HN -0.012 nan 8.230 nan 0.000 0.443 365 L N 0.224 121.403 121.223 -0.074 0.000 2.131 365 L HA -0.168 4.176 4.340 0.008 0.000 0.210 365 L C 2.810 179.641 176.870 -0.066 0.000 1.092 365 L CA 0.984 55.782 54.840 -0.071 0.000 0.759 365 L CB -0.712 41.319 42.059 -0.047 0.000 0.903 365 L HN 0.256 nan 8.230 nan 0.000 0.435 366 A N -0.628 122.160 122.820 -0.053 0.000 2.121 366 A HA -0.164 4.160 4.320 0.008 0.000 0.218 366 A C 1.630 179.184 177.584 -0.050 0.000 1.154 366 A CA 1.415 53.429 52.037 -0.038 0.000 0.679 366 A CB -0.306 18.679 19.000 -0.025 0.000 0.795 366 A HN 0.339 nan 8.150 nan 0.000 0.458 367 D N -0.475 119.870 120.400 -0.091 0.000 2.349 367 D HA 0.180 4.825 4.640 0.008 0.000 0.215 367 D C 0.762 176.931 176.300 -0.219 0.000 1.016 367 D CA 0.123 54.049 54.000 -0.123 0.000 0.870 367 D CB 0.115 40.830 40.800 -0.143 0.000 0.917 367 D HN 0.472 nan 8.370 nan 0.000 0.524 368 I N 0.000 120.447 120.570 -0.205 0.000 2.984 368 I HA 0.000 4.175 4.170 0.008 0.000 0.288 368 I CA 0.000 61.186 61.300 -0.190 0.000 1.566 368 I CB 0.000 37.947 38.000 -0.089 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494