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 2de6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MANVDEAILK RVKGWAPYVD AKLGFRNHWY PVMFSKEINE GEPKTLKLLG DATA SEQUENCE ENLLVNRIDG KLYCLKDRCL HRGVQLSVKV ECKTKSTITC WYHAWTYRWE DATA SEQUENCE DGVLCDILTN PTSAQIGRQK LKTYPVQEAK GCVFIYLGDG DPPPLARDTP DATA SEQUENCE PNFLDDDMEI LGKNQIIKSN WRLAVENGFD PSHIYIHKDS ILVKDNDLAL DATA SEQUENCE PLGFAPGGDR KQQTRVVDDD VVGRKGVYDL IGEHGVPVFE GTIGGEVVRE DATA SEQUENCE GAYGEKIVAN DISIWLPGVL KVNPFPNPDM MQFEWYVPID ENTHYYFQTL DATA SEQUENCE GKPCANDEER KKYEQEFESK WKPMALEGFN NDDIWAREAM VDFYADDKGW DATA SEQUENCE VNEILFESDE AIVAWRKLAS EHNQGIQTQA HVSGLEHHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.349 55.300 0.081 0.000 0.988 1 M CB 0.000 32.672 32.600 0.121 0.000 1.302 2 A N 0.697 123.545 122.820 0.048 0.000 2.251 2 A HA -0.196 3.724 4.320 -0.666 0.000 0.283 2 A C 0.396 178.003 177.584 0.037 0.000 1.415 2 A CA 1.195 53.254 52.037 0.037 0.000 0.742 2 A CB -1.413 17.610 19.000 0.039 0.000 1.151 2 A HN 0.772 nan 8.150 nan 0.000 0.354 3 N N -1.265 117.452 118.700 0.028 0.000 2.227 3 N HA 0.252 4.592 4.740 -0.666 0.000 0.196 3 N C 0.035 175.556 175.510 0.019 0.000 1.142 3 N CA 1.057 54.123 53.050 0.026 0.000 0.887 3 N CB 0.845 39.344 38.487 0.020 0.000 1.022 3 N HN 0.511 nan 8.380 nan 0.000 0.500 4 V N 0.685 120.605 119.914 0.011 0.000 3.040 4 V HA 0.159 3.880 4.120 -0.666 0.000 0.312 4 V C -0.373 175.730 176.094 0.015 0.000 1.115 4 V CA -1.217 61.091 62.300 0.013 0.000 0.998 4 V CB 2.738 34.557 31.823 -0.006 0.000 1.042 4 V HN -0.032 nan 8.190 nan 0.000 0.433 5 D N 1.566 121.979 120.400 0.021 0.000 2.586 5 D HA -0.078 4.163 4.640 -0.666 0.000 0.234 5 D C 1.007 177.312 176.300 0.009 0.000 1.132 5 D CA 0.547 54.557 54.000 0.017 0.000 0.860 5 D CB 1.303 42.115 40.800 0.019 0.000 1.159 5 D HN 0.706 nan 8.370 nan 0.000 0.490 6 E N 3.295 123.499 120.200 0.006 0.000 2.209 6 E HA -0.157 3.793 4.350 -0.666 0.000 0.196 6 E C 1.757 178.354 176.600 -0.005 0.000 0.993 6 E CA 1.513 57.913 56.400 -0.000 0.000 0.819 6 E CB -0.179 29.522 29.700 0.001 0.000 0.745 6 E HN 0.567 nan 8.360 nan 0.000 0.477 7 A N 0.074 122.893 122.820 -0.001 0.000 1.972 7 A HA -0.122 3.798 4.320 -0.666 0.000 0.219 7 A C 2.227 179.809 177.584 -0.004 0.000 1.169 7 A CA 1.261 53.295 52.037 -0.004 0.000 0.635 7 A CB -0.487 18.512 19.000 -0.000 0.000 0.810 7 A HN 0.324 nan 8.150 nan 0.000 0.446 8 I N -0.479 120.093 120.570 0.004 0.000 2.286 8 I HA -0.188 3.582 4.170 -0.666 0.000 0.245 8 I C 2.245 178.357 176.117 -0.009 0.000 1.104 8 I CA 0.836 62.144 61.300 0.014 0.000 1.397 8 I CB -0.303 37.723 38.000 0.043 0.000 1.072 8 I HN 0.266 nan 8.210 nan 0.000 0.417 9 L N 0.787 121.998 121.223 -0.020 0.000 2.083 9 L HA -0.227 3.713 4.340 -0.666 0.000 0.209 9 L C 2.584 179.418 176.870 -0.061 0.000 1.083 9 L CA 1.380 56.193 54.840 -0.045 0.000 0.752 9 L CB -0.621 41.418 42.059 -0.034 0.000 0.899 9 L HN 0.261 nan 8.230 nan 0.000 0.433 10 K N 0.407 120.780 120.400 -0.045 0.000 2.211 10 K HA -0.158 3.762 4.320 -0.666 0.000 0.203 10 K C 2.241 178.799 176.600 -0.069 0.000 1.050 10 K CA 1.055 57.312 56.287 -0.051 0.000 0.945 10 K CB 0.120 32.600 32.500 -0.034 0.000 0.732 10 K HN 0.229 nan 8.250 nan 0.000 0.451 11 R N 0.248 120.710 120.500 -0.064 0.000 2.075 11 R HA -0.016 3.924 4.340 -0.666 0.000 0.226 11 R C 0.979 177.194 176.300 -0.142 0.000 1.114 11 R CA 1.104 57.160 56.100 -0.074 0.000 0.972 11 R CB 0.107 30.386 30.300 -0.035 0.000 0.869 11 R HN 0.108 nan 8.270 nan 0.000 0.437 12 V N 0.413 120.217 119.914 -0.184 0.000 2.008 12 V HA 0.165 3.885 4.120 -0.666 0.000 0.262 12 V C 0.584 176.398 176.094 -0.466 0.000 1.580 12 V CA -0.067 61.993 62.300 -0.400 0.000 1.515 12 V CB 0.269 31.872 31.823 -0.367 0.000 1.474 12 V HN 0.126 nan 8.190 nan 0.000 0.504 13 K N 2.487 122.669 120.400 -0.363 0.000 2.360 13 K HA -0.009 3.912 4.320 -0.666 0.000 0.201 13 K C 2.032 178.452 176.600 -0.301 0.000 1.046 13 K CA 1.291 57.418 56.287 -0.266 0.000 0.945 13 K CB -0.039 32.354 32.500 -0.178 0.000 0.750 13 K HN 0.755 nan 8.250 nan 0.000 0.464 14 G N 0.636 109.113 108.800 -0.539 0.000 2.551 14 G HA2 -0.112 3.448 3.960 -0.666 0.000 0.216 14 G HA3 -0.112 3.448 3.960 -0.666 0.000 0.216 14 G C 0.304 175.180 174.900 -0.040 0.000 1.137 14 G CA 0.136 45.031 45.100 -0.340 0.000 0.798 14 G HN 0.512 nan 8.290 nan 0.000 0.536 15 W N -2.160 119.127 121.300 -0.022 0.000 0.713 15 W HA 0.736 5.009 4.660 -0.645 0.000 0.303 15 W C 0.790 177.302 176.519 -0.012 0.000 0.842 15 W CA -0.929 56.393 57.345 -0.037 0.000 1.488 15 W CB -0.296 29.118 29.460 -0.077 0.000 1.267 15 W HN 0.044 nan 8.180 nan 0.000 0.498 16 A N 1.167 123.974 122.820 -0.022 0.000 1.883 16 A HA -0.057 3.863 4.320 -0.666 0.000 0.217 16 A C -0.221 177.385 177.584 0.037 0.000 1.186 16 A CA 2.110 54.128 52.037 -0.031 0.000 0.624 16 A CB -1.505 17.456 19.000 -0.064 0.000 0.822 16 A HN 0.276 nan 8.150 nan 0.000 0.444 17 P HA -0.191 nan 4.420 nan 0.000 0.216 17 P C 1.437 178.855 177.300 0.196 0.000 1.150 17 P CA 1.324 64.499 63.100 0.126 0.000 0.837 17 P CB -0.170 31.603 31.700 0.121 0.000 0.786 18 Y N 0.262 120.608 120.300 0.076 0.000 2.145 18 Y HA -0.190 3.949 4.550 -0.686 0.000 0.286 18 Y C 2.044 177.809 175.900 -0.225 0.000 1.145 18 Y CA 1.345 59.454 58.100 0.015 0.000 1.148 18 Y CB -0.995 37.424 38.460 -0.068 0.000 0.981 18 Y HN -0.291 nan 8.280 nan 0.000 0.507 19 V N 0.388 120.142 119.914 -0.268 0.000 2.490 19 V HA -0.253 3.467 4.120 -0.666 0.000 0.250 19 V C 1.876 177.701 176.094 -0.447 0.000 1.061 19 V CA 2.209 64.095 62.300 -0.690 0.000 1.064 19 V CB -0.672 30.865 31.823 -0.477 0.000 0.670 19 V HN 0.383 nan 8.190 nan 0.000 0.461 20 D N 0.482 120.760 120.400 -0.203 0.000 2.277 20 D HA 0.005 4.245 4.640 -0.666 0.000 0.208 20 D C 1.550 177.800 176.300 -0.083 0.000 0.962 20 D CA 0.838 54.778 54.000 -0.100 0.000 0.865 20 D CB -0.070 40.720 40.800 -0.017 0.000 0.939 20 D HN 0.408 nan 8.370 nan 0.000 0.510 21 A N 0.581 123.325 122.820 -0.127 0.000 2.810 21 A HA 0.066 3.986 4.320 -0.666 0.000 0.247 21 A C 1.654 179.195 177.584 -0.073 0.000 1.576 21 A CA -0.121 51.842 52.037 -0.122 0.000 1.294 21 A CB -0.722 18.111 19.000 -0.278 0.000 0.976 21 A HN 0.134 nan 8.150 nan 0.000 0.631 22 K N -0.478 119.893 120.400 -0.049 0.000 2.209 22 K HA -0.105 3.816 4.320 -0.666 0.000 0.204 22 K C 0.536 177.225 176.600 0.149 0.000 1.048 22 K CA 1.172 57.479 56.287 0.033 0.000 0.940 22 K CB -0.074 32.440 32.500 0.023 0.000 0.729 22 K HN 0.485 nan 8.250 nan 0.000 0.451 23 L N 0.034 121.293 121.223 0.060 0.000 2.607 23 L HA 0.284 4.224 4.340 -0.666 0.000 0.228 23 L C 0.656 177.420 176.870 -0.178 0.000 1.123 23 L CA 0.752 55.586 54.840 -0.010 0.000 0.890 23 L CB 0.271 42.316 42.059 -0.024 0.000 1.103 23 L HN 0.388 nan 8.230 nan 0.000 0.468 24 G N -1.180 107.479 108.800 -0.236 0.000 2.655 24 G HA2 -0.175 3.385 3.960 -0.666 0.000 0.680 24 G HA3 -0.175 3.385 3.960 -0.666 0.000 0.680 24 G C -0.814 173.793 174.900 -0.487 0.000 1.302 24 G CA -0.965 43.683 45.100 -0.753 0.000 0.872 24 G HN -0.134 nan 8.290 nan 0.000 0.540 25 F N 0.948 120.788 119.950 -0.184 0.000 2.415 25 F HA 0.667 4.792 4.527 -0.670 0.000 0.348 25 F C 1.147 177.008 175.800 0.102 0.000 1.119 25 F CA -0.634 57.382 58.000 0.027 0.000 1.069 25 F CB 1.616 40.661 39.000 0.075 0.000 1.124 25 F HN 0.658 nan 8.300 nan 0.000 0.472 26 R N 2.305 122.925 120.500 0.199 0.000 2.577 26 R HA 0.239 4.179 4.340 -0.666 0.000 0.269 26 R C 0.143 176.443 176.300 -0.001 0.000 1.084 26 R CA -0.138 55.963 56.100 0.001 0.000 1.163 26 R CB 0.365 30.551 30.300 -0.190 0.000 1.100 26 R HN 0.789 nan 8.270 nan 0.000 0.547 27 N N 1.655 120.194 118.700 -0.268 0.000 2.816 27 N HA -0.181 4.159 4.740 -0.666 0.000 0.247 27 N C -1.499 173.686 175.510 -0.542 0.000 1.100 27 N CA 0.869 53.626 53.050 -0.488 0.000 0.687 27 N CB -1.264 37.104 38.487 -0.199 0.000 1.003 27 N HN 0.583 nan 8.380 nan 0.000 0.554 28 H N -1.754 117.086 119.070 -0.384 0.000 2.980 28 H HA 0.280 4.441 4.556 -0.658 0.000 0.367 28 H C -0.262 174.873 175.328 -0.322 0.000 1.206 28 H CA -0.418 55.510 56.048 -0.199 0.000 1.126 28 H CB 0.816 30.422 29.762 -0.260 0.000 1.838 28 H HN 0.032 nan 8.280 nan 0.000 0.552 29 W N 1.200 122.508 121.300 0.014 0.000 2.313 29 W HA 0.345 4.602 4.660 -0.672 0.000 0.328 29 W C -0.646 175.732 176.519 -0.235 0.000 1.197 29 W CA -0.069 57.301 57.345 0.041 0.000 1.235 29 W CB 0.549 30.054 29.460 0.075 0.000 1.158 29 W HN 0.343 nan 8.180 nan 0.000 0.578 30 Y N 2.711 123.223 120.300 0.353 0.000 2.433 30 Y HA 0.325 4.469 4.550 -0.676 0.000 0.337 30 Y C -2.112 173.593 175.900 -0.325 0.000 1.026 30 Y CA -2.853 55.269 58.100 0.036 0.000 1.037 30 Y CB 1.925 40.358 38.460 -0.046 0.000 1.245 30 Y HN 0.107 nan 8.280 nan 0.000 0.443 31 P HA 0.182 nan 4.420 nan 0.000 0.285 31 P C 0.141 176.714 177.300 -1.211 0.000 1.259 31 P CA -0.171 61.900 63.100 -1.715 0.000 0.794 31 P CB 2.289 32.180 31.700 -3.015 0.000 0.940 32 V N 0.139 119.471 119.914 -0.969 0.000 3.497 32 V HA 0.354 4.074 4.120 -0.666 0.000 0.272 32 V C 0.587 176.296 176.094 -0.641 0.000 1.474 32 V CA 0.241 62.083 62.300 -0.764 0.000 1.025 32 V CB -0.566 30.999 31.823 -0.430 0.000 0.820 32 V HN 0.621 nan 8.190 nan 0.000 0.437 33 M N -1.354 117.964 119.600 -0.471 0.000 3.147 33 M HA 0.658 4.738 4.480 -0.666 0.000 0.276 33 M C -2.124 174.006 176.300 -0.283 0.000 1.211 33 M CA -0.578 54.577 55.300 -0.241 0.000 0.820 33 M CB 1.582 34.104 32.600 -0.131 0.000 1.621 33 M HN -0.119 nan 8.290 nan 0.000 0.507 34 F N 0.843 120.825 119.950 0.054 0.000 2.397 34 F HA 0.527 4.652 4.527 -0.670 0.000 0.331 34 F C 1.555 177.357 175.800 0.003 0.000 1.090 34 F CA 0.023 58.046 58.000 0.040 0.000 1.065 34 F CB 1.909 40.910 39.000 0.002 0.000 1.184 34 F HN 0.775 nan 8.300 nan 0.000 0.499 35 S N 1.003 116.813 115.700 0.184 0.000 2.380 35 S HA -0.265 3.805 4.470 -0.666 0.000 0.229 35 S C 1.866 176.515 174.600 0.082 0.000 1.043 35 S CA 1.873 60.129 58.200 0.094 0.000 1.038 35 S CB -0.429 62.817 63.200 0.077 0.000 0.872 35 S HN 0.696 nan 8.310 nan 0.000 0.456 36 K N 1.240 121.700 120.400 0.100 0.000 2.555 36 K HA 0.039 3.959 4.320 -0.666 0.000 0.193 36 K C 1.086 177.724 176.600 0.063 0.000 1.032 36 K CA 1.008 57.331 56.287 0.060 0.000 1.004 36 K CB -0.111 32.410 32.500 0.034 0.000 0.804 36 K HN 0.353 nan 8.250 nan 0.000 0.496 37 E N 0.466 120.720 120.200 0.090 0.000 2.474 37 E HA 0.055 4.005 4.350 -0.666 0.000 0.194 37 E C -0.439 176.192 176.600 0.052 0.000 1.041 37 E CA -0.108 56.339 56.400 0.078 0.000 0.874 37 E CB 0.349 30.115 29.700 0.110 0.000 0.914 37 E HN 0.236 nan 8.360 nan 0.000 0.498 38 I N 1.688 122.282 120.570 0.039 0.000 2.411 38 I HA 0.191 3.961 4.170 -0.666 0.000 0.284 38 I C -1.168 174.956 176.117 0.011 0.000 1.012 38 I CA -0.741 60.572 61.300 0.021 0.000 1.119 38 I CB 0.680 38.686 38.000 0.011 0.000 1.261 38 I HN -0.198 nan 8.210 nan 0.000 0.448 39 N N 4.796 123.501 118.700 0.008 0.000 2.482 39 N HA 0.190 4.530 4.740 -0.666 0.000 0.279 39 N C -0.502 175.000 175.510 -0.012 0.000 1.182 39 N CA -0.655 52.396 53.050 0.002 0.000 0.969 39 N CB 0.944 39.436 38.487 0.008 0.000 1.201 39 N HN 0.532 nan 8.380 nan 0.000 0.523 40 E N 0.076 120.269 120.200 -0.012 0.000 2.558 40 E HA 0.132 4.082 4.350 -0.666 0.000 0.255 40 E C 0.845 177.429 176.600 -0.027 0.000 0.968 40 E CA 0.855 57.242 56.400 -0.021 0.000 0.939 40 E CB -0.363 29.332 29.700 -0.009 0.000 0.921 40 E HN 0.744 nan 8.360 nan 0.000 0.477 41 G N 4.132 112.897 108.800 -0.058 0.000 2.203 41 G HA2 -0.328 3.233 3.960 -0.666 0.000 0.263 41 G HA3 -0.328 3.233 3.960 -0.666 0.000 0.263 41 G C -0.177 174.707 174.900 -0.027 0.000 1.012 41 G CA 0.532 45.599 45.100 -0.054 0.000 0.749 41 G HN 0.557 nan 8.290 nan 0.000 0.512 42 E N 0.615 120.797 120.200 -0.030 0.000 2.593 42 E HA 0.282 4.232 4.350 -0.666 0.000 0.232 42 E C -2.637 173.968 176.600 0.009 0.000 1.026 42 E CA -1.965 54.439 56.400 0.007 0.000 0.772 42 E CB 1.563 31.272 29.700 0.016 0.000 1.310 42 E HN 0.186 nan 8.360 nan 0.000 0.413 43 P HA -0.071 nan 4.420 nan 0.000 0.264 43 P C -0.567 176.795 177.300 0.103 0.000 1.183 43 P CA 0.348 63.497 63.100 0.082 0.000 0.763 43 P CB 0.603 32.446 31.700 0.239 0.000 0.807 44 K N 1.573 122.037 120.400 0.106 0.000 2.316 44 K HA 0.454 4.374 4.320 -0.666 0.000 0.251 44 K C -0.057 176.619 176.600 0.126 0.000 0.934 44 K CA -0.460 55.887 56.287 0.100 0.000 0.802 44 K CB 2.050 34.593 32.500 0.072 0.000 1.171 44 K HN 0.437 nan 8.250 nan 0.000 0.426 45 T N -0.213 114.411 114.554 0.118 0.000 2.934 45 T HA 0.806 4.756 4.350 -0.666 0.000 0.283 45 T C 0.094 174.866 174.700 0.119 0.000 1.005 45 T CA -0.807 61.366 62.100 0.122 0.000 1.041 45 T CB 0.822 69.756 68.868 0.110 0.000 1.042 45 T HN 0.529 nan 8.240 nan 0.000 0.505 46 L N -1.809 119.488 121.223 0.122 0.000 2.794 46 L HA 0.713 4.653 4.340 -0.666 0.000 0.261 46 L C -1.340 175.599 176.870 0.115 0.000 0.989 46 L CA -1.233 53.694 54.840 0.146 0.000 0.900 46 L CB 1.999 44.157 42.059 0.165 0.000 1.473 46 L HN 0.825 nan 8.230 nan 0.000 0.414 47 K N 1.707 122.171 120.400 0.107 0.000 2.358 47 K HA 0.772 4.692 4.320 -0.666 0.000 0.260 47 K C -1.957 174.662 176.600 0.031 0.000 0.956 47 K CA -0.703 55.611 56.287 0.045 0.000 0.834 47 K CB 1.778 34.282 32.500 0.005 0.000 1.102 47 K HN 0.756 nan 8.250 nan 0.000 0.431 48 L N 6.072 127.283 121.223 -0.020 0.000 2.381 48 L HA 0.349 4.289 4.340 -0.666 0.000 0.274 48 L C -0.613 176.148 176.870 -0.182 0.000 0.988 48 L CA -0.272 54.508 54.840 -0.100 0.000 0.824 48 L CB 1.295 43.281 42.059 -0.122 0.000 1.263 48 L HN 0.828 nan 8.230 nan 0.000 0.410 49 L N 5.834 126.910 121.223 -0.245 0.000 3.839 49 L HA -0.155 3.785 4.340 -0.666 0.000 0.416 49 L C 1.194 177.985 176.870 -0.133 0.000 1.195 49 L CA 1.567 56.258 54.840 -0.248 0.000 0.946 49 L CB -1.765 40.106 42.059 -0.312 0.000 1.891 49 L HN 1.143 nan 8.230 nan 0.000 0.963 50 G N -2.158 106.589 108.800 -0.088 0.000 2.199 50 G HA2 -0.276 3.284 3.960 -0.666 0.000 0.254 50 G HA3 -0.276 3.284 3.960 -0.666 0.000 0.254 50 G C 0.268 175.160 174.900 -0.013 0.000 0.982 50 G CA 0.352 45.430 45.100 -0.037 0.000 0.632 50 G HN 0.515 nan 8.290 nan 0.000 0.529 51 E N 1.072 121.260 120.200 -0.021 0.000 2.197 51 E HA 0.360 4.310 4.350 -0.666 0.000 0.281 51 E C -0.470 176.149 176.600 0.032 0.000 0.995 51 E CA -0.837 55.574 56.400 0.020 0.000 0.808 51 E CB 0.708 30.430 29.700 0.037 0.000 1.093 51 E HN 0.212 nan 8.360 nan 0.000 0.394 52 N N 3.389 122.121 118.700 0.052 0.000 2.458 52 N HA 0.234 4.574 4.740 -0.666 0.000 0.270 52 N C -0.635 174.929 175.510 0.090 0.000 1.102 52 N CA 0.173 53.261 53.050 0.065 0.000 0.967 52 N CB 0.775 39.299 38.487 0.062 0.000 1.078 52 N HN 0.325 nan 8.380 nan 0.000 0.471 53 L N 1.598 122.884 121.223 0.105 0.000 2.301 53 L HA 0.613 4.553 4.340 -0.666 0.000 0.264 53 L C -0.314 176.652 176.870 0.160 0.000 1.016 53 L CA -0.880 54.045 54.840 0.142 0.000 0.821 53 L CB 1.903 44.052 42.059 0.149 0.000 1.346 53 L HN 0.168 nan 8.230 nan 0.000 0.429 54 L N 1.570 122.919 121.223 0.211 0.000 2.385 54 L HA 0.660 4.600 4.340 -0.666 0.000 0.273 54 L C -1.134 175.961 176.870 0.374 0.000 0.990 54 L CA -0.711 54.301 54.840 0.286 0.000 0.821 54 L CB 2.439 44.698 42.059 0.333 0.000 1.279 54 L HN 0.252 nan 8.230 nan 0.000 0.412 55 V N 2.699 122.778 119.914 0.274 0.000 2.604 55 V HA 0.575 4.295 4.120 -0.666 0.000 0.305 55 V C -0.647 175.462 176.094 0.025 0.000 1.043 55 V CA -0.681 61.734 62.300 0.192 0.000 0.888 55 V CB 2.063 33.953 31.823 0.113 0.000 0.995 55 V HN 0.718 nan 8.190 nan 0.000 0.429 56 N N 2.623 121.213 118.700 -0.183 0.000 2.284 56 N HA 0.505 4.845 4.740 -0.666 0.000 0.289 56 N C -1.138 174.235 175.510 -0.229 0.000 1.179 56 N CA -0.823 51.974 53.050 -0.422 0.000 0.774 56 N CB 2.733 40.441 38.487 -1.299 0.000 1.548 56 N HN 0.683 nan 8.380 nan 0.000 0.473 57 R N 2.744 123.142 120.500 -0.171 0.000 2.343 57 R HA 0.588 4.528 4.340 -0.666 0.000 0.320 57 R C -1.000 175.266 176.300 -0.058 0.000 0.956 57 R CA -0.421 55.640 56.100 -0.065 0.000 0.836 57 R CB 0.423 30.697 30.300 -0.043 0.000 1.151 57 R HN 0.590 nan 8.270 nan 0.000 0.450 58 I N 4.302 124.903 120.570 0.052 0.000 2.478 58 I HA 0.177 3.948 4.170 -0.666 0.000 0.287 58 I C -0.497 175.682 176.117 0.103 0.000 1.042 58 I CA -0.687 60.642 61.300 0.048 0.000 1.067 58 I CB 2.081 40.085 38.000 0.007 0.000 1.233 58 I HN 0.745 nan 8.210 nan 0.000 0.431 59 D N 5.100 125.530 120.400 0.050 0.000 2.837 59 D HA -0.199 4.041 4.640 -0.666 0.000 0.230 59 D C 1.188 177.511 176.300 0.039 0.000 1.152 59 D CA 1.742 55.770 54.000 0.047 0.000 0.736 59 D CB -0.814 40.024 40.800 0.065 0.000 1.084 59 D HN 1.178 nan 8.370 nan 0.000 0.429 60 G N -0.294 108.520 108.800 0.024 0.000 2.234 60 G HA2 -0.381 3.179 3.960 -0.666 0.000 0.260 60 G HA3 -0.381 3.179 3.960 -0.666 0.000 0.260 60 G C 0.370 175.263 174.900 -0.013 0.000 0.987 60 G CA 0.834 45.937 45.100 0.005 0.000 0.625 60 G HN 0.616 nan 8.290 nan 0.000 0.532 61 K N 0.661 121.055 120.400 -0.010 0.000 2.130 61 K HA 0.690 4.610 4.320 -0.666 0.000 0.268 61 K C 0.411 176.886 176.600 -0.208 0.000 0.983 61 K CA -0.846 55.370 56.287 -0.118 0.000 0.893 61 K CB 0.460 32.868 32.500 -0.153 0.000 1.066 61 K HN 0.191 nan 8.250 nan 0.000 0.450 62 L N 4.310 125.371 121.223 -0.269 0.000 2.334 62 L HA 0.355 4.295 4.340 -0.666 0.000 0.277 62 L C -0.859 175.762 176.870 -0.416 0.000 1.075 62 L CA -0.733 53.981 54.840 -0.210 0.000 0.804 62 L CB 0.526 42.538 42.059 -0.078 0.000 1.174 62 L HN 0.633 nan 8.230 nan 0.000 0.438 63 Y N 0.898 121.222 120.300 0.041 0.000 2.512 63 Y HA 0.452 4.603 4.550 -0.666 0.000 0.348 63 Y C -0.333 175.719 175.900 0.254 0.000 0.990 63 Y CA -0.648 57.550 58.100 0.164 0.000 1.033 63 Y CB 2.127 40.718 38.460 0.218 0.000 1.259 63 Y HN 0.477 nan 8.280 nan 0.000 0.461 64 C N 5.091 124.665 119.300 0.458 0.000 2.431 64 C HA 0.829 4.889 4.460 -0.666 0.000 0.321 64 C C -1.296 173.911 174.990 0.362 0.000 1.202 64 C CA -0.669 58.595 59.018 0.410 0.000 1.398 64 C CB -0.768 27.166 27.740 0.324 0.000 2.047 64 C HN 0.826 nan 8.230 nan 0.000 0.465 65 L N 4.679 126.095 121.223 0.322 0.000 2.354 65 L HA 0.551 4.491 4.340 -0.666 0.000 0.269 65 L C -0.179 176.734 176.870 0.072 0.000 1.005 65 L CA -0.653 54.235 54.840 0.081 0.000 0.819 65 L CB 1.807 43.762 42.059 -0.173 0.000 1.311 65 L HN 0.659 nan 8.230 nan 0.000 0.423 66 K N 1.031 121.425 120.400 -0.010 0.000 2.368 66 K HA -0.007 3.913 4.320 -0.666 0.000 0.282 66 K C -0.220 176.364 176.600 -0.028 0.000 1.035 66 K CA -0.267 56.040 56.287 0.033 0.000 0.973 66 K CB 0.648 33.150 32.500 0.003 0.000 0.957 66 K HN 0.421 nan 8.250 nan 0.000 0.474 67 D N 4.376 124.796 120.400 0.033 0.000 2.845 67 D HA 0.070 4.310 4.640 -0.666 0.000 0.235 67 D C -0.975 175.336 176.300 0.020 0.000 1.158 67 D CA 0.108 54.127 54.000 0.032 0.000 0.990 67 D CB -0.229 40.622 40.800 0.085 0.000 1.094 67 D HN 0.448 nan 8.370 nan 0.000 0.486 68 R N 1.986 122.465 120.500 -0.036 0.000 2.659 68 R HA 0.203 4.143 4.340 -0.666 0.000 0.290 68 R C -1.241 175.005 176.300 -0.090 0.000 1.253 68 R CA -0.663 55.418 56.100 -0.031 0.000 1.010 68 R CB 0.328 30.620 30.300 -0.014 0.000 1.236 68 R HN 0.245 nan 8.270 nan 0.000 0.413 69 C N 5.100 124.355 119.300 -0.075 0.000 2.634 69 C HA 0.103 4.163 4.460 -0.666 0.000 0.417 69 C C 2.058 177.001 174.990 -0.080 0.000 1.334 69 C CA -0.201 58.773 59.018 -0.074 0.000 1.829 69 C CB -0.363 27.327 27.740 -0.083 0.000 2.665 69 C HN 0.971 nan 8.230 nan 0.000 0.614 70 L N 3.997 125.228 121.223 0.013 0.000 2.201 70 L HA -0.094 3.846 4.340 -0.666 0.000 0.212 70 L C 2.458 179.241 176.870 -0.144 0.000 1.105 70 L CA 1.424 56.283 54.840 0.031 0.000 0.775 70 L CB -0.866 41.378 42.059 0.308 0.000 0.913 70 L HN 0.863 nan 8.230 nan 0.000 0.440 71 H N 0.666 119.327 119.070 -0.681 0.000 2.300 71 H HA -0.032 4.125 4.556 -0.667 0.000 0.302 71 H C 1.223 176.264 175.328 -0.477 0.000 1.049 71 H CA 0.950 56.424 56.048 -0.957 0.000 1.254 71 H CB 0.449 29.180 29.762 -1.718 0.000 1.396 71 H HN 0.054 nan 8.280 nan 0.000 0.518 72 R N -0.138 120.023 120.500 -0.565 0.000 2.546 72 R HA 0.149 4.089 4.340 -0.666 0.000 0.320 72 R C 0.726 176.926 176.300 -0.166 0.000 1.021 72 R CA 0.475 56.327 56.100 -0.413 0.000 1.088 72 R CB 0.552 30.585 30.300 -0.444 0.000 1.278 72 R HN 0.711 nan 8.270 nan 0.000 0.557 73 G N 1.518 110.234 108.800 -0.139 0.000 2.225 73 G HA2 -0.299 3.261 3.960 -0.666 0.000 0.267 73 G HA3 -0.299 3.261 3.960 -0.666 0.000 0.267 73 G C 0.408 175.307 174.900 -0.002 0.000 1.024 73 G CA 0.622 45.685 45.100 -0.060 0.000 0.784 73 G HN 0.292 nan 8.290 nan 0.000 0.507 74 V N -3.199 116.724 119.914 0.015 0.000 2.953 74 V HA 0.674 4.394 4.120 -0.666 0.000 0.304 74 V C 0.554 176.727 176.094 0.132 0.000 1.073 74 V CA -0.933 61.439 62.300 0.119 0.000 1.064 74 V CB 1.341 33.281 31.823 0.195 0.000 1.047 74 V HN 0.347 nan 8.190 nan 0.000 0.478 75 Q N 1.529 121.456 119.800 0.210 0.000 2.288 75 Q HA 0.381 4.321 4.340 -0.666 0.000 0.258 75 Q C 0.854 177.054 176.000 0.332 0.000 0.957 75 Q CA -0.277 55.641 55.803 0.192 0.000 0.919 75 Q CB 1.530 30.360 28.738 0.152 0.000 1.185 75 Q HN 0.756 nan 8.270 nan 0.000 0.408 76 L N 1.418 122.780 121.223 0.231 0.000 2.131 76 L HA -0.213 3.727 4.340 -0.666 0.000 0.210 76 L C 2.249 179.338 176.870 0.365 0.000 1.092 76 L CA 1.260 56.278 54.840 0.298 0.000 0.759 76 L CB -0.506 41.641 42.059 0.147 0.000 0.903 76 L HN 0.668 nan 8.230 nan 0.000 0.435 77 S N -0.956 114.888 115.700 0.240 0.000 2.500 77 S HA -0.091 3.979 4.470 -0.666 0.000 0.239 77 S C 1.860 176.520 174.600 0.099 0.000 0.989 77 S CA 0.693 58.997 58.200 0.174 0.000 0.951 77 S CB -0.644 62.639 63.200 0.138 0.000 0.759 77 S HN 0.193 nan 8.310 nan 0.000 0.523 78 V N 1.189 121.151 119.914 0.081 0.000 2.392 78 V HA -0.002 3.718 4.120 -0.666 0.000 0.249 78 V C 1.338 177.253 176.094 -0.298 0.000 1.059 78 V CA 1.802 64.002 62.300 -0.166 0.000 1.051 78 V CB -0.675 30.938 31.823 -0.350 0.000 0.658 78 V HN 0.629 nan 8.190 nan 0.000 0.455 79 K N 0.167 120.417 120.400 -0.249 0.000 2.790 79 K HA 0.319 4.239 4.320 -0.666 0.000 0.253 79 K C -1.267 175.421 176.600 0.147 0.000 1.082 79 K CA -0.349 55.855 56.287 -0.137 0.000 1.067 79 K CB 1.625 33.930 32.500 -0.326 0.000 1.284 79 K HN 0.043 nan 8.250 nan 0.000 0.529 80 V N 3.532 123.530 119.914 0.139 0.000 2.485 80 V HA 0.051 3.771 4.120 -0.666 0.000 0.287 80 V C 0.115 176.320 176.094 0.185 0.000 1.022 80 V CA 0.463 62.880 62.300 0.195 0.000 1.067 80 V CB 0.794 32.723 31.823 0.176 0.000 0.967 80 V HN 0.680 nan 8.190 nan 0.000 0.479 81 E N 3.622 123.950 120.200 0.213 0.000 2.593 81 E HA 0.279 4.229 4.350 -0.666 0.000 0.232 81 E C -1.192 175.517 176.600 0.182 0.000 1.026 81 E CA -0.418 56.090 56.400 0.181 0.000 0.772 81 E CB 1.205 31.015 29.700 0.183 0.000 1.310 81 E HN 0.673 nan 8.360 nan 0.000 0.413 82 C N 3.154 122.568 119.300 0.190 0.000 2.168 82 C HA 0.190 4.250 4.460 -0.666 0.000 0.333 82 C C 1.550 176.631 174.990 0.151 0.000 1.106 82 C CA -0.488 58.660 59.018 0.216 0.000 1.574 82 C CB -0.541 27.358 27.740 0.265 0.000 2.055 82 C HN 0.677 nan 8.230 nan 0.000 0.473 83 K N 1.009 121.485 120.400 0.127 0.000 2.305 83 K HA 0.019 3.939 4.320 -0.666 0.000 0.199 83 K C 0.981 177.628 176.600 0.079 0.000 1.047 83 K CA 0.726 57.068 56.287 0.091 0.000 0.976 83 K CB 0.181 32.726 32.500 0.074 0.000 0.765 83 K HN 0.795 nan 8.250 nan 0.000 0.474 84 T N -2.980 111.631 114.554 0.094 0.000 2.896 84 T HA 0.249 4.199 4.350 -0.666 0.000 0.297 84 T C 0.592 175.353 174.700 0.101 0.000 1.108 84 T CA -1.009 61.138 62.100 0.078 0.000 1.004 84 T CB 2.528 71.431 68.868 0.060 0.000 1.159 84 T HN -0.116 nan 8.240 nan 0.000 0.499 85 K N 0.777 121.221 120.400 0.073 0.000 2.127 85 K HA -0.155 3.765 4.320 -0.666 0.000 0.208 85 K C 1.845 178.496 176.600 0.085 0.000 1.047 85 K CA 2.144 58.468 56.287 0.062 0.000 0.927 85 K CB -0.394 32.127 32.500 0.035 0.000 0.716 85 K HN 0.719 nan 8.250 nan 0.000 0.450 86 S N -0.873 114.891 115.700 0.105 0.000 2.577 86 S HA 0.041 4.111 4.470 -0.666 0.000 0.219 86 S C 0.348 175.121 174.600 0.289 0.000 0.962 86 S CA -0.076 58.209 58.200 0.143 0.000 0.921 86 S CB 0.145 63.378 63.200 0.054 0.000 0.789 86 S HN 0.369 nan 8.310 nan 0.000 0.497 87 T N -0.890 113.836 114.554 0.287 0.000 2.887 87 T HA 0.760 4.710 4.350 -0.666 0.000 0.292 87 T C -0.890 173.925 174.700 0.192 0.000 1.087 87 T CA -0.952 61.244 62.100 0.161 0.000 1.009 87 T CB 1.654 70.557 68.868 0.059 0.000 1.203 87 T HN 0.318 nan 8.240 nan 0.000 0.518 88 I N 0.520 121.077 120.570 -0.022 0.000 2.619 88 I HA 0.553 4.324 4.170 -0.666 0.000 0.292 88 I C -1.248 174.913 176.117 0.073 0.000 1.100 88 I CA -0.485 60.846 61.300 0.052 0.000 1.043 88 I CB 2.232 40.157 38.000 -0.125 0.000 1.239 88 I HN 0.814 nan 8.210 nan 0.000 0.420 89 T N 6.521 121.144 114.554 0.114 0.000 2.779 89 T HA 0.201 4.151 4.350 -0.666 0.000 0.280 89 T C -0.486 174.298 174.700 0.140 0.000 0.987 89 T CA -0.209 61.952 62.100 0.102 0.000 0.966 89 T CB 0.915 69.835 68.868 0.086 0.000 0.933 89 T HN 0.683 nan 8.240 nan 0.000 0.442 90 C N 6.367 125.742 119.300 0.125 0.000 2.642 90 C HA 0.128 4.188 4.460 -0.666 0.000 0.420 90 C C 2.073 177.050 174.990 -0.022 0.000 1.349 90 C CA -0.673 58.356 59.018 0.019 0.000 1.821 90 C CB -0.778 26.937 27.740 -0.042 0.000 2.637 90 C HN 1.051 nan 8.230 nan 0.000 0.605 91 W N 4.957 126.329 121.300 0.119 0.000 2.611 91 W HA -0.054 4.206 4.660 -0.667 0.000 0.251 91 W C 1.288 177.865 176.519 0.096 0.000 1.265 91 W CA 0.304 57.699 57.345 0.082 0.000 1.295 91 W CB -1.123 28.358 29.460 0.035 0.000 1.129 91 W HN 0.824 nan 8.180 nan 0.000 0.630 92 Y N 2.080 121.899 120.300 -0.802 0.000 2.159 92 Y HA -0.043 4.107 4.550 -0.667 0.000 0.285 92 Y C 1.487 177.023 175.900 -0.606 0.000 1.106 92 Y CA 1.574 59.178 58.100 -0.826 0.000 1.095 92 Y CB -0.926 36.771 38.460 -1.271 0.000 1.015 92 Y HN -0.031 nan 8.280 nan 0.000 0.491 93 H N -0.910 118.122 119.070 -0.064 0.000 2.662 93 H HA 0.538 4.694 4.556 -0.667 0.000 0.268 93 H C 0.870 176.257 175.328 0.099 0.000 1.152 93 H CA 0.297 56.336 56.048 -0.016 0.000 1.072 93 H CB 0.273 29.972 29.762 -0.105 0.000 1.660 93 H HN 0.302 nan 8.280 nan 0.000 0.584 94 A N -0.323 122.584 122.820 0.145 0.000 2.860 94 A HA -0.227 3.693 4.320 -0.666 0.000 0.267 94 A C -0.321 177.357 177.584 0.158 0.000 1.421 94 A CA 0.265 52.381 52.037 0.132 0.000 0.831 94 A CB -2.481 16.575 19.000 0.094 0.000 1.041 94 A HN 0.420 nan 8.150 nan 0.000 0.623 95 W N 0.376 121.580 121.300 -0.161 0.000 2.308 95 W HA 0.473 4.733 4.660 -0.666 0.000 0.324 95 W C 0.663 176.901 176.519 -0.470 0.000 1.387 95 W CA 1.016 58.158 57.345 -0.338 0.000 1.250 95 W CB 0.295 29.552 29.460 -0.337 0.000 1.257 95 W HN 0.321 nan 8.180 nan 0.000 0.554 96 T N 4.740 119.065 114.554 -0.382 0.000 2.797 96 T HA 0.494 4.444 4.350 -0.666 0.000 0.279 96 T C -1.109 173.283 174.700 -0.513 0.000 0.991 96 T CA -0.425 61.475 62.100 -0.333 0.000 0.979 96 T CB 0.678 69.452 68.868 -0.156 0.000 0.943 96 T HN 0.043 nan 8.240 nan 0.000 0.444 97 Y N 0.841 121.086 120.300 -0.092 0.000 2.524 97 Y HA 0.555 4.706 4.550 -0.665 0.000 0.344 97 Y C 0.785 176.566 175.900 -0.199 0.000 1.012 97 Y CA -1.414 56.601 58.100 -0.142 0.000 1.068 97 Y CB 1.404 39.755 38.460 -0.182 0.000 1.249 97 Y HN 0.305 nan 8.280 nan 0.000 0.468 98 R N 1.015 121.524 120.500 0.016 0.000 2.308 98 R HA 0.072 4.012 4.340 -0.666 0.000 0.305 98 R C -0.170 176.103 176.300 -0.045 0.000 1.053 98 R CA -0.339 55.752 56.100 -0.015 0.000 0.957 98 R CB 0.752 31.060 30.300 0.013 0.000 1.022 98 R HN 0.897 nan 8.270 nan 0.000 0.461 99 W N 1.747 123.004 121.300 -0.072 0.000 2.374 99 W HA -0.178 4.081 4.660 -0.668 0.000 0.288 99 W C 2.093 178.525 176.519 -0.146 0.000 1.218 99 W CA 1.275 58.542 57.345 -0.131 0.000 1.245 99 W CB 0.138 29.416 29.460 -0.304 0.000 1.126 99 W HN 0.718 nan 8.180 nan 0.000 0.545 100 E N 0.227 120.428 120.200 0.002 0.000 2.150 100 E HA -0.201 3.749 4.350 -0.666 0.000 0.193 100 E C 0.964 177.664 176.600 0.166 0.000 0.985 100 E CA 1.776 58.239 56.400 0.106 0.000 0.814 100 E CB -0.382 29.357 29.700 0.064 0.000 0.752 100 E HN 0.331 nan 8.360 nan 0.000 0.466 101 D N -1.848 118.610 120.400 0.097 0.000 2.516 101 D HA 0.147 4.388 4.640 -0.666 0.000 0.241 101 D C 1.228 177.555 176.300 0.045 0.000 1.246 101 D CA 0.223 54.268 54.000 0.075 0.000 0.808 101 D CB 0.303 41.137 40.800 0.058 0.000 1.147 101 D HN 0.278 nan 8.370 nan 0.000 0.527 102 G N 0.384 109.205 108.800 0.035 0.000 2.189 102 G HA2 -0.295 3.266 3.960 -0.666 0.000 0.267 102 G HA3 -0.295 3.266 3.960 -0.666 0.000 0.267 102 G C 0.329 175.290 174.900 0.102 0.000 0.975 102 G CA 0.440 45.548 45.100 0.015 0.000 0.644 102 G HN 0.445 nan 8.290 nan 0.000 0.537 103 V N 1.233 121.193 119.914 0.075 0.000 2.655 103 V HA 0.291 4.012 4.120 -0.666 0.000 0.300 103 V C 1.088 177.221 176.094 0.065 0.000 1.044 103 V CA 0.023 62.363 62.300 0.066 0.000 1.095 103 V CB 1.470 33.302 31.823 0.016 0.000 0.952 103 V HN 0.473 nan 8.190 nan 0.000 0.485 104 L N 7.270 128.506 121.223 0.021 0.000 2.454 104 L HA 0.171 4.111 4.340 -0.666 0.000 0.284 104 L C 1.085 177.830 176.870 -0.207 0.000 1.139 104 L CA 0.270 54.998 54.840 -0.188 0.000 0.911 104 L CB -0.007 41.912 42.059 -0.232 0.000 1.262 104 L HN 0.947 nan 8.230 nan 0.000 0.453 105 C N 1.194 120.379 119.300 -0.192 0.000 2.634 105 C HA 0.443 4.503 4.460 -0.666 0.000 0.268 105 C C 0.319 175.204 174.990 -0.174 0.000 1.322 105 C CA -0.406 58.523 59.018 -0.149 0.000 1.737 105 C CB -0.644 27.041 27.740 -0.091 0.000 1.976 105 C HN 0.761 nan 8.230 nan 0.000 0.547 106 D N -0.373 119.888 120.400 -0.232 0.000 2.623 106 D HA 0.492 4.732 4.640 -0.666 0.000 0.241 106 D C -1.443 174.685 176.300 -0.287 0.000 1.241 106 D CA -0.208 53.662 54.000 -0.216 0.000 0.788 106 D CB 1.931 42.648 40.800 -0.138 0.000 1.413 106 D HN 0.217 nan 8.370 nan 0.000 0.429 107 I N 2.272 122.688 120.570 -0.258 0.000 2.531 107 I HA 0.055 3.825 4.170 -0.666 0.000 0.283 107 I C 0.732 176.771 176.117 -0.130 0.000 1.083 107 I CA -0.470 60.675 61.300 -0.259 0.000 1.071 107 I CB 2.011 39.737 38.000 -0.456 0.000 1.210 107 I HN 0.159 nan 8.210 nan 0.000 0.450 108 L N 3.816 125.006 121.223 -0.056 0.000 2.131 108 L HA -0.144 3.796 4.340 -0.666 0.000 0.210 108 L C 2.596 179.463 176.870 -0.006 0.000 1.092 108 L CA 2.136 56.963 54.840 -0.021 0.000 0.759 108 L CB -0.874 41.192 42.059 0.011 0.000 0.903 108 L HN 0.757 nan 8.230 nan 0.000 0.435 109 T N -4.264 110.300 114.554 0.015 0.000 3.085 109 T HA -0.043 3.907 4.350 -0.666 0.000 0.263 109 T C 0.870 175.565 174.700 -0.008 0.000 1.127 109 T CA 0.420 62.538 62.100 0.030 0.000 1.103 109 T CB -0.403 68.519 68.868 0.089 0.000 0.921 109 T HN 0.425 nan 8.240 nan 0.000 0.510 110 N N 0.896 119.563 118.700 -0.055 0.000 2.976 110 N HA 0.152 4.493 4.740 -0.666 0.000 0.220 110 N C -2.670 172.767 175.510 -0.121 0.000 1.428 110 N CA -1.085 51.917 53.050 -0.081 0.000 0.748 110 N CB 1.506 39.938 38.487 -0.092 0.000 1.484 110 N HN -0.084 nan 8.380 nan 0.000 0.578 111 P HA -0.074 nan 4.420 nan 0.000 0.236 111 P C 0.973 178.207 177.300 -0.111 0.000 1.172 111 P CA 1.084 64.119 63.100 -0.108 0.000 0.759 111 P CB 0.039 31.693 31.700 -0.075 0.000 0.843 112 T N -5.201 109.291 114.554 -0.104 0.000 3.069 112 T HA 0.121 4.071 4.350 -0.666 0.000 0.252 112 T C 0.843 175.472 174.700 -0.119 0.000 1.053 112 T CA -0.280 61.761 62.100 -0.097 0.000 0.964 112 T CB -0.614 68.212 68.868 -0.071 0.000 1.005 112 T HN -0.034 nan 8.240 nan 0.000 0.532 113 S N 0.765 116.369 115.700 -0.160 0.000 2.552 113 S HA 0.433 4.503 4.470 -0.666 0.000 0.289 113 S C 1.636 176.121 174.600 -0.191 0.000 1.304 113 S CA 0.044 58.129 58.200 -0.192 0.000 1.063 113 S CB 0.290 63.315 63.200 -0.292 0.000 0.848 113 S HN 0.598 nan 8.310 nan 0.000 0.499 114 A N 4.584 127.309 122.820 -0.158 0.000 2.168 114 A HA -0.005 3.915 4.320 -0.666 0.000 0.215 114 A C 2.066 179.549 177.584 -0.168 0.000 1.152 114 A CA 0.634 52.590 52.037 -0.136 0.000 0.716 114 A CB -0.272 18.670 19.000 -0.096 0.000 0.794 114 A HN 0.859 nan 8.150 nan 0.000 0.465 115 Q N -0.245 119.407 119.800 -0.248 0.000 2.311 115 Q HA 0.098 4.038 4.340 -0.666 0.000 0.203 115 Q C 0.431 176.232 176.000 -0.332 0.000 0.954 115 Q CA 0.310 55.930 55.803 -0.306 0.000 0.885 115 Q CB -0.244 28.195 28.738 -0.498 0.000 0.963 115 Q HN 0.694 nan 8.270 nan 0.000 0.471 116 I N 1.001 121.368 120.570 -0.338 0.000 2.668 116 I HA -0.074 3.696 4.170 -0.666 0.000 0.285 116 I C 1.332 177.334 176.117 -0.191 0.000 1.168 116 I CA 1.030 62.154 61.300 -0.294 0.000 1.424 116 I CB 0.215 38.058 38.000 -0.261 0.000 1.377 116 I HN 0.383 nan 8.210 nan 0.000 0.560 117 G N 5.329 114.032 108.800 -0.163 0.000 2.212 117 G HA2 -0.309 3.251 3.960 -0.666 0.000 0.266 117 G HA3 -0.309 3.251 3.960 -0.666 0.000 0.266 117 G C 1.145 175.997 174.900 -0.080 0.000 0.978 117 G CA 0.309 45.347 45.100 -0.103 0.000 0.632 117 G HN 0.685 nan 8.290 nan 0.000 0.537 118 R N -0.690 119.753 120.500 -0.095 0.000 2.250 118 R HA 0.191 4.131 4.340 -0.666 0.000 0.194 118 R C 0.642 176.920 176.300 -0.037 0.000 0.927 118 R CA 0.273 56.335 56.100 -0.063 0.000 1.052 118 R CB 0.129 30.387 30.300 -0.071 0.000 1.055 118 R HN 0.380 nan 8.270 nan 0.000 0.537 119 Q N 1.112 120.888 119.800 -0.040 0.000 2.215 119 Q HA 0.370 4.311 4.340 -0.666 0.000 0.256 119 Q C -0.865 175.173 176.000 0.064 0.000 0.972 119 Q CA -0.300 55.520 55.803 0.028 0.000 0.889 119 Q CB 2.371 31.154 28.738 0.076 0.000 1.281 119 Q HN -0.100 nan 8.270 nan 0.000 0.456 120 K N 1.236 121.691 120.400 0.093 0.000 2.535 120 K HA 0.330 4.251 4.320 -0.666 0.000 0.250 120 K C -1.424 175.213 176.600 0.061 0.000 0.948 120 K CA -0.706 55.633 56.287 0.088 0.000 0.796 120 K CB 1.521 34.042 32.500 0.035 0.000 1.216 120 K HN 0.418 nan 8.250 nan 0.000 0.432 121 L N 3.384 124.621 121.223 0.024 0.000 2.371 121 L HA 0.363 4.303 4.340 -0.666 0.000 0.272 121 L C -0.313 176.467 176.870 -0.150 0.000 1.124 121 L CA 0.006 54.750 54.840 -0.161 0.000 0.816 121 L CB 0.741 42.478 42.059 -0.538 0.000 1.129 121 L HN 0.560 nan 8.230 nan 0.000 0.448 122 K N 2.489 122.788 120.400 -0.170 0.000 2.484 122 K HA 0.221 4.141 4.320 -0.666 0.000 0.280 122 K C -0.513 175.913 176.600 -0.290 0.000 1.013 122 K CA 0.588 56.731 56.287 -0.241 0.000 1.029 122 K CB 0.074 32.412 32.500 -0.270 0.000 0.902 122 K HN 0.843 nan 8.250 nan 0.000 0.481 123 T N 1.213 115.579 114.554 -0.314 0.000 2.912 123 T HA 0.567 4.517 4.350 -0.666 0.000 0.288 123 T C -1.024 173.469 174.700 -0.344 0.000 1.030 123 T CA -0.737 61.250 62.100 -0.188 0.000 1.020 123 T CB 0.716 69.579 68.868 -0.009 0.000 1.056 123 T HN 0.329 nan 8.240 nan 0.000 0.480 124 Y N 0.435 120.795 120.300 0.100 0.000 2.477 124 Y HA 0.544 4.697 4.550 -0.662 0.000 0.347 124 Y C -2.547 173.418 175.900 0.108 0.000 0.981 124 Y CA -2.547 55.601 58.100 0.081 0.000 1.033 124 Y CB 2.006 40.496 38.460 0.051 0.000 1.245 124 Y HN 0.526 nan 8.280 nan 0.000 0.455 125 P HA 0.201 nan 4.420 nan 0.000 0.268 125 P C -1.203 176.273 177.300 0.292 0.000 1.205 125 P CA -0.001 63.221 63.100 0.205 0.000 0.771 125 P CB 0.700 32.440 31.700 0.067 0.000 0.858 126 V N 3.249 123.355 119.914 0.319 0.000 2.638 126 V HA 0.499 4.220 4.120 -0.666 0.000 0.306 126 V C -0.361 175.897 176.094 0.273 0.000 1.052 126 V CA -0.490 62.010 62.300 0.333 0.000 0.885 126 V CB 1.775 33.699 31.823 0.168 0.000 0.999 126 V HN 0.487 nan 8.190 nan 0.000 0.424 127 Q N 2.268 122.225 119.800 0.260 0.000 2.359 127 Q HA 0.534 4.474 4.340 -0.666 0.000 0.274 127 Q C -1.363 174.662 176.000 0.042 0.000 1.074 127 Q CA -0.640 55.179 55.803 0.026 0.000 0.810 127 Q CB 2.934 31.512 28.738 -0.266 0.000 1.342 127 Q HN 0.829 nan 8.270 nan 0.000 0.427 128 E N 1.037 121.240 120.200 0.004 0.000 2.166 128 E HA 0.715 4.665 4.350 -0.666 0.000 0.275 128 E C -1.446 175.167 176.600 0.022 0.000 0.941 128 E CA -0.598 55.829 56.400 0.046 0.000 0.784 128 E CB 1.928 31.637 29.700 0.016 0.000 1.115 128 E HN 0.558 nan 8.360 nan 0.000 0.399 129 A N 3.134 126.022 122.820 0.112 0.000 2.459 129 A HA 0.406 4.326 4.320 -0.666 0.000 0.296 129 A C -0.569 177.087 177.584 0.119 0.000 1.039 129 A CA -0.811 51.253 52.037 0.046 0.000 0.698 129 A CB 0.921 19.881 19.000 -0.068 0.000 1.261 129 A HN 0.482 nan 8.150 nan 0.000 0.405 130 K N 0.942 121.335 120.400 -0.012 0.000 3.035 130 K HA -0.219 3.701 4.320 -0.666 0.000 0.262 130 K C 0.992 177.649 176.600 0.096 0.000 1.024 130 K CA 1.638 57.900 56.287 -0.041 0.000 0.748 130 K CB -1.955 30.384 32.500 -0.268 0.000 1.247 130 K HN 2.571 nan 8.250 nan 0.000 0.482 131 G N -1.628 107.234 108.800 0.104 0.000 2.155 131 G HA2 -0.375 3.185 3.960 -0.666 0.000 0.257 131 G HA3 -0.375 3.185 3.960 -0.666 0.000 0.257 131 G C 0.333 175.388 174.900 0.259 0.000 0.983 131 G CA 0.404 45.599 45.100 0.158 0.000 0.676 131 G HN 0.470 nan 8.290 nan 0.000 0.528 132 C N -0.090 119.326 119.300 0.193 0.000 2.456 132 C HA 0.702 4.763 4.460 -0.666 0.000 0.325 132 C C 0.648 175.545 174.990 -0.155 0.000 1.217 132 C CA -0.939 58.069 59.018 -0.017 0.000 1.687 132 C CB 1.748 29.415 27.740 -0.122 0.000 2.270 132 C HN 0.363 nan 8.230 nan 0.000 0.499 133 V N 3.187 122.882 119.914 -0.365 0.000 2.364 133 V HA 0.393 4.113 4.120 -0.666 0.000 0.272 133 V C -0.554 175.261 176.094 -0.463 0.000 1.036 133 V CA 0.024 62.173 62.300 -0.252 0.000 0.880 133 V CB 0.144 31.863 31.823 -0.173 0.000 0.991 133 V HN 0.672 nan 8.190 nan 0.000 0.460 134 F N 5.006 124.861 119.950 -0.158 0.000 2.443 134 F HA 0.643 4.767 4.527 -0.670 0.000 0.335 134 F C 0.207 176.149 175.800 0.237 0.000 1.104 134 F CA -0.632 57.331 58.000 -0.063 0.000 1.013 134 F CB 1.558 40.496 39.000 -0.104 0.000 1.136 134 F HN 0.243 nan 8.300 nan 0.000 0.470 135 I N 3.055 123.864 120.570 0.398 0.000 2.433 135 I HA 0.173 3.944 4.170 -0.666 0.000 0.292 135 I C -1.205 175.048 176.117 0.227 0.000 1.001 135 I CA -1.088 60.399 61.300 0.312 0.000 1.119 135 I CB 1.778 39.840 38.000 0.102 0.000 1.289 135 I HN 0.492 nan 8.210 nan 0.000 0.438 136 Y N 7.363 127.497 120.300 -0.276 0.000 2.600 136 Y HA 0.225 4.375 4.550 -0.667 0.000 0.351 136 Y C -0.266 175.424 175.900 -0.350 0.000 1.042 136 Y CA -0.570 57.096 58.100 -0.724 0.000 1.333 136 Y CB 0.473 38.062 38.460 -1.452 0.000 1.172 136 Y HN 0.359 nan 8.280 nan 0.000 0.517 137 L N 7.196 128.067 121.223 -0.585 0.000 2.395 137 L HA 0.465 4.405 4.340 -0.666 0.000 0.268 137 L C 0.176 176.636 176.870 -0.683 0.000 1.223 137 L CA 0.588 54.998 54.840 -0.716 0.000 1.093 137 L CB -1.098 40.690 42.059 -0.451 0.000 1.349 137 L HN 0.897 nan 8.230 nan 0.000 0.427 138 G N 3.345 111.799 108.800 -0.576 0.000 2.548 138 G HA2 0.395 3.956 3.960 -0.666 0.000 0.301 138 G HA3 0.395 3.956 3.960 -0.666 0.000 0.301 138 G C -1.740 173.207 174.900 0.078 0.000 1.349 138 G CA -0.603 44.245 45.100 -0.420 0.000 0.792 138 G HN 0.305 nan 8.290 nan 0.000 0.481 139 D N -0.357 120.115 120.400 0.120 0.000 2.342 139 D HA 0.635 4.875 4.640 -0.666 0.000 0.243 139 D C 0.691 177.093 176.300 0.171 0.000 1.019 139 D CA 0.968 55.060 54.000 0.153 0.000 0.864 139 D CB 1.806 42.672 40.800 0.109 0.000 1.315 139 D HN 1.409 nan 8.370 nan 0.000 0.468 140 G N 1.483 110.352 108.800 0.115 0.000 2.795 140 G HA2 -0.175 3.385 3.960 -0.666 0.000 0.664 140 G HA3 -0.175 3.385 3.960 -0.666 0.000 0.664 140 G C -0.835 174.093 174.900 0.046 0.000 1.381 140 G CA -0.909 44.234 45.100 0.072 0.000 0.853 140 G HN 0.483 nan 8.290 nan 0.000 0.545 141 D N 2.110 122.506 120.400 -0.007 0.000 2.458 141 D HA 0.386 4.626 4.640 -0.666 0.000 0.243 141 D C -0.976 175.205 176.300 -0.198 0.000 1.146 141 D CA 0.115 54.077 54.000 -0.065 0.000 0.877 141 D CB 0.813 41.590 40.800 -0.038 0.000 1.176 141 D HN 0.434 nan 8.370 nan 0.000 0.461 142 P HA 0.249 nan 4.420 nan 0.000 0.274 142 P C -2.453 174.646 177.300 -0.334 0.000 1.237 142 P CA -1.042 61.539 63.100 -0.865 0.000 0.793 142 P CB 0.336 31.339 31.700 -1.161 0.000 0.977 143 P HA 0.398 nan 4.420 nan 0.000 0.282 143 P C -2.677 174.709 177.300 0.143 0.000 1.287 143 P CA -2.037 61.056 63.100 -0.011 0.000 0.792 143 P CB -0.931 30.781 31.700 0.019 0.000 1.163 144 P HA 0.056 nan 4.420 nan 0.000 0.271 144 P C 0.982 178.208 177.300 -0.123 0.000 1.216 144 P CA -0.238 62.837 63.100 -0.042 0.000 0.776 144 P CB 0.242 31.900 31.700 -0.069 0.000 0.881 145 L N 4.079 125.025 121.223 -0.462 0.000 2.127 145 L HA -0.181 3.759 4.340 -0.666 0.000 0.211 145 L C 2.033 178.637 176.870 -0.443 0.000 1.089 145 L CA 2.167 56.498 54.840 -0.848 0.000 0.757 145 L CB -1.463 39.926 42.059 -1.117 0.000 0.899 145 L HN 0.427 nan 8.230 nan 0.000 0.434 146 A N -0.416 122.225 122.820 -0.297 0.000 2.024 146 A HA -0.274 3.646 4.320 -0.666 0.000 0.220 146 A C 2.523 180.023 177.584 -0.141 0.000 1.164 146 A CA 1.771 53.685 52.037 -0.206 0.000 0.643 146 A CB -0.736 18.166 19.000 -0.163 0.000 0.806 146 A HN 0.553 nan 8.150 nan 0.000 0.451 147 R N -0.281 120.176 120.500 -0.072 0.000 2.105 147 R HA -0.147 3.793 4.340 -0.666 0.000 0.239 147 R C 0.015 176.345 176.300 0.051 0.000 1.135 147 R CA 1.720 57.824 56.100 0.008 0.000 0.967 147 R CB -0.166 30.176 30.300 0.071 0.000 0.861 147 R HN 0.372 nan 8.270 nan 0.000 0.442 148 D N 0.612 121.056 120.400 0.073 0.000 2.491 148 D HA 0.054 4.294 4.640 -0.666 0.000 0.228 148 D C -0.327 176.009 176.300 0.060 0.000 1.183 148 D CA 0.276 54.359 54.000 0.140 0.000 0.827 148 D CB 0.867 41.840 40.800 0.287 0.000 0.989 148 D HN 0.309 nan 8.370 nan 0.000 0.494 149 T N -2.716 111.781 114.554 -0.095 0.000 2.907 149 T HA 0.642 4.592 4.350 -0.666 0.000 0.292 149 T C -3.067 171.385 174.700 -0.413 0.000 1.043 149 T CA -2.350 59.646 62.100 -0.175 0.000 1.003 149 T CB 2.857 71.635 68.868 -0.150 0.000 1.084 149 T HN -0.325 nan 8.240 nan 0.000 0.483 150 P HA 0.432 nan 4.420 nan 0.000 0.276 150 P C -2.672 174.318 177.300 -0.516 0.000 1.244 150 P CA -1.643 60.958 63.100 -0.831 0.000 0.801 150 P CB -0.476 30.968 31.700 -0.427 0.000 1.006 151 P HA -0.021 nan 4.420 nan 0.000 0.265 151 P C -0.087 177.215 177.300 0.004 0.000 1.187 151 P CA 0.833 63.805 63.100 -0.214 0.000 0.766 151 P CB -0.134 31.499 31.700 -0.110 0.000 0.820 152 N N -0.338 118.358 118.700 -0.006 0.000 2.951 152 N HA -0.293 4.047 4.740 -0.666 0.000 0.213 152 N C 0.647 176.140 175.510 -0.029 0.000 0.877 152 N CA 1.087 54.168 53.050 0.051 0.000 1.042 152 N CB -2.359 36.243 38.487 0.192 0.000 1.005 152 N HN 0.390 nan 8.380 nan 0.000 0.604 153 F N 1.263 120.956 119.950 -0.427 0.000 2.161 153 F HA 0.039 4.172 4.527 -0.657 0.000 0.300 153 F C 1.380 176.982 175.800 -0.330 0.000 1.089 153 F CA 1.515 59.049 58.000 -0.776 0.000 1.282 153 F CB -0.036 38.424 39.000 -0.900 0.000 1.010 153 F HN 0.157 nan 8.300 nan 0.000 0.485 154 L N 0.150 121.214 121.223 -0.265 0.000 2.629 154 L HA 0.096 4.037 4.340 -0.666 0.000 0.230 154 L C -0.219 176.524 176.870 -0.210 0.000 1.151 154 L CA -0.364 54.307 54.840 -0.281 0.000 0.924 154 L CB -0.770 41.187 42.059 -0.170 0.000 1.137 154 L HN -0.131 nan 8.230 nan 0.000 0.457 155 D N 0.973 121.268 120.400 -0.174 0.000 2.458 155 D HA -0.064 4.176 4.640 -0.666 0.000 0.243 155 D C 0.986 177.213 176.300 -0.121 0.000 1.146 155 D CA 0.203 54.135 54.000 -0.113 0.000 0.877 155 D CB 1.043 41.804 40.800 -0.066 0.000 1.176 155 D HN 0.059 nan 8.370 nan 0.000 0.461 156 D N 1.838 122.181 120.400 -0.096 0.000 2.149 156 D HA -0.214 4.026 4.640 -0.666 0.000 0.194 156 D C 1.176 177.429 176.300 -0.078 0.000 1.001 156 D CA 1.425 55.373 54.000 -0.086 0.000 0.849 156 D CB 0.018 40.778 40.800 -0.066 0.000 0.939 156 D HN 0.626 nan 8.370 nan 0.000 0.449 157 D N -0.815 119.544 120.400 -0.068 0.000 2.347 157 D HA -0.048 4.192 4.640 -0.666 0.000 0.213 157 D C 0.808 177.065 176.300 -0.071 0.000 0.985 157 D CA -0.105 53.858 54.000 -0.061 0.000 0.879 157 D CB -0.218 40.552 40.800 -0.050 0.000 0.919 157 D HN -0.006 nan 8.370 nan 0.000 0.526 158 M N 1.790 121.340 119.600 -0.082 0.000 2.220 158 M HA 0.180 4.260 4.480 -0.666 0.000 0.343 158 M C -0.613 175.634 176.300 -0.088 0.000 1.470 158 M CA -0.484 54.769 55.300 -0.079 0.000 1.161 158 M CB 0.591 33.147 32.600 -0.073 0.000 1.737 158 M HN -0.134 nan 8.290 nan 0.000 0.464 159 E N 5.279 125.442 120.200 -0.061 0.000 2.152 159 E HA 0.300 4.250 4.350 -0.666 0.000 0.285 159 E C -1.305 175.351 176.600 0.092 0.000 1.043 159 E CA -0.107 56.298 56.400 0.008 0.000 0.839 159 E CB 0.307 30.046 29.700 0.064 0.000 1.069 159 E HN 0.587 nan 8.360 nan 0.000 0.399 160 I N 6.341 126.937 120.570 0.044 0.000 2.359 160 I HA 0.367 4.137 4.170 -0.666 0.000 0.294 160 I C -0.152 175.968 176.117 0.005 0.000 0.987 160 I CA -0.639 60.717 61.300 0.093 0.000 1.225 160 I CB 0.539 38.575 38.000 0.059 0.000 1.366 160 I HN 0.604 nan 8.210 nan 0.000 0.466 161 L N 4.733 125.885 121.223 -0.119 0.000 2.376 161 L HA 0.940 4.881 4.340 -0.666 0.000 0.258 161 L C 0.173 176.770 176.870 -0.455 0.000 1.013 161 L CA -0.476 54.017 54.840 -0.579 0.000 0.822 161 L CB 2.578 43.808 42.059 -1.381 0.000 1.388 161 L HN 0.764 nan 8.230 nan 0.000 0.413 162 G N 1.020 109.542 108.800 -0.462 0.000 2.348 162 G HA2 0.454 4.014 3.960 -0.666 0.000 0.296 162 G HA3 0.454 4.014 3.960 -0.666 0.000 0.296 162 G C -2.277 172.561 174.900 -0.103 0.000 1.258 162 G CA -0.565 44.542 45.100 0.012 0.000 0.868 162 G HN 0.695 nan 8.290 nan 0.000 0.488 163 K N -1.094 119.336 120.400 0.050 0.000 2.536 163 K HA 0.746 4.666 4.320 -0.666 0.000 0.269 163 K C -1.505 175.111 176.600 0.027 0.000 0.965 163 K CA -1.073 55.245 56.287 0.050 0.000 0.860 163 K CB 2.416 34.937 32.500 0.035 0.000 1.423 163 K HN 0.609 nan 8.250 nan 0.000 0.438 164 N N 0.636 119.388 118.700 0.087 0.000 2.242 164 N HA 0.354 4.694 4.740 -0.666 0.000 0.292 164 N C -2.057 173.547 175.510 0.157 0.000 1.125 164 N CA -0.374 52.689 53.050 0.022 0.000 0.783 164 N CB 2.134 40.564 38.487 -0.094 0.000 1.558 164 N HN 0.812 nan 8.380 nan 0.000 0.472 165 Q N 1.099 121.051 119.800 0.253 0.000 2.687 165 Q HA 0.470 4.410 4.340 -0.666 0.000 0.295 165 Q C -1.470 174.700 176.000 0.283 0.000 0.920 165 Q CA -0.841 55.116 55.803 0.257 0.000 0.766 165 Q CB 1.102 29.959 28.738 0.199 0.000 1.467 165 Q HN 0.495 nan 8.270 nan 0.000 0.415 166 I N 1.772 122.431 120.570 0.147 0.000 2.331 166 I HA 0.371 4.141 4.170 -0.666 0.000 0.292 166 I C -0.506 175.576 176.117 -0.060 0.000 0.998 166 I CA -0.952 60.332 61.300 -0.026 0.000 1.267 166 I CB 0.991 38.934 38.000 -0.095 0.000 1.386 166 I HN 0.467 nan 8.210 nan 0.000 0.476 167 I N 6.035 126.465 120.570 -0.233 0.000 2.474 167 I HA 0.256 4.026 4.170 -0.666 0.000 0.294 167 I C 0.238 176.228 176.117 -0.211 0.000 1.005 167 I CA -0.910 60.243 61.300 -0.245 0.000 1.113 167 I CB 1.763 39.532 38.000 -0.385 0.000 1.289 167 I HN 0.497 nan 8.210 nan 0.000 0.436 168 K N 4.152 124.527 120.400 -0.042 0.000 2.307 168 K HA 0.271 4.192 4.320 -0.666 0.000 0.240 168 K C -0.197 176.457 176.600 0.089 0.000 1.214 168 K CA -0.083 56.217 56.287 0.022 0.000 1.149 168 K CB 0.133 32.652 32.500 0.032 0.000 1.668 168 K HN 0.708 nan 8.250 nan 0.000 0.314 169 S N 0.245 116.048 115.700 0.171 0.000 2.567 169 S HA 0.152 4.222 4.470 -0.666 0.000 0.270 169 S C -1.051 173.712 174.600 0.271 0.000 1.152 169 S CA -1.184 57.133 58.200 0.196 0.000 0.835 169 S CB 1.111 64.416 63.200 0.176 0.000 1.115 169 S HN 0.460 nan 8.310 nan 0.000 0.459 170 N N 1.766 120.539 118.700 0.123 0.000 2.441 170 N HA -0.005 4.336 4.740 -0.666 0.000 0.251 170 N C 1.644 177.147 175.510 -0.011 0.000 1.242 170 N CA 0.321 53.428 53.050 0.096 0.000 0.898 170 N CB 0.430 38.919 38.487 0.002 0.000 1.100 170 N HN 0.934 nan 8.380 nan 0.000 0.443 171 W N 5.363 126.629 121.300 -0.056 0.000 2.350 171 W HA -0.164 4.093 4.660 -0.671 0.000 0.289 171 W C 1.152 177.565 176.519 -0.176 0.000 1.215 171 W CA 0.421 57.666 57.345 -0.167 0.000 1.236 171 W CB -0.775 28.685 29.460 -0.001 0.000 1.130 171 W HN 0.593 nan 8.180 nan 0.000 0.541 172 R N 0.803 120.611 120.500 -1.153 0.000 2.096 172 R HA -0.062 3.878 4.340 -0.666 0.000 0.235 172 R C 2.549 178.575 176.300 -0.457 0.000 1.127 172 R CA 1.843 57.369 56.100 -0.958 0.000 0.968 172 R CB -0.607 29.101 30.300 -0.988 0.000 0.861 172 R HN 0.257 nan 8.270 nan 0.000 0.440 173 L N -0.044 120.930 121.223 -0.416 0.000 2.141 173 L HA -0.102 3.838 4.340 -0.666 0.000 0.209 173 L C 2.615 179.227 176.870 -0.431 0.000 1.094 173 L CA 1.033 55.647 54.840 -0.376 0.000 0.763 173 L CB -0.568 41.318 42.059 -0.288 0.000 0.908 173 L HN 0.241 nan 8.230 nan 0.000 0.437 174 A N -0.129 122.364 122.820 -0.545 0.000 1.873 174 A HA -0.111 3.809 4.320 -0.666 0.000 0.215 174 A C 2.352 179.241 177.584 -1.158 0.000 1.186 174 A CA 1.460 53.034 52.037 -0.771 0.000 0.616 174 A CB -0.727 17.731 19.000 -0.903 0.000 0.823 174 A HN 0.149 nan 8.150 nan 0.000 0.442 175 V N 0.520 119.835 119.914 -0.998 0.000 2.295 175 V HA -0.287 3.433 4.120 -0.666 0.000 0.246 175 V C 2.446 178.164 176.094 -0.627 0.000 1.049 175 V CA 2.349 64.117 62.300 -0.886 0.000 1.024 175 V CB -0.915 30.634 31.823 -0.455 0.000 0.648 175 V HN 0.637 nan 8.190 nan 0.000 0.447 176 E N 0.211 120.154 120.200 -0.428 0.000 2.110 176 E HA -0.266 3.685 4.350 -0.666 0.000 0.193 176 E C 2.073 178.486 176.600 -0.312 0.000 0.988 176 E CA 1.509 57.748 56.400 -0.268 0.000 0.804 176 E CB -0.329 29.285 29.700 -0.143 0.000 0.745 176 E HN 0.672 nan 8.360 nan 0.000 0.458 177 N N 0.675 119.122 118.700 -0.421 0.000 2.120 177 N HA -0.128 4.212 4.740 -0.666 0.000 0.188 177 N C 1.961 177.053 175.510 -0.697 0.000 1.024 177 N CA 1.689 54.425 53.050 -0.524 0.000 0.852 177 N CB -0.351 37.844 38.487 -0.486 0.000 1.003 177 N HN 0.132 nan 8.380 nan 0.000 0.424 178 G N -1.210 107.295 108.800 -0.492 0.000 2.422 178 G HA2 -0.218 3.342 3.960 -0.666 0.000 0.218 178 G HA3 -0.218 3.342 3.960 -0.666 0.000 0.218 178 G C 1.126 176.001 174.900 -0.042 0.000 1.146 178 G CA 0.423 45.393 45.100 -0.217 0.000 0.769 178 G HN 0.404 nan 8.290 nan 0.000 0.547 179 F N 1.361 121.144 119.950 -0.279 0.000 2.765 179 F HA 0.298 4.391 4.527 -0.724 0.000 0.302 179 F C 0.588 176.316 175.800 -0.120 0.000 1.111 179 F CA -1.195 56.683 58.000 -0.204 0.000 1.359 179 F CB 0.206 39.010 39.000 -0.326 0.000 1.097 179 F HN -0.044 nan 8.300 nan 0.000 0.577 180 D N 1.846 122.155 120.400 -0.152 0.000 2.349 180 D HA 0.027 4.267 4.640 -0.666 0.000 0.266 180 D C -1.812 174.537 176.300 0.082 0.000 1.293 180 D CA -1.650 52.299 54.000 -0.084 0.000 0.926 180 D CB 1.414 42.165 40.800 -0.083 0.000 1.090 180 D HN 0.093 nan 8.370 nan 0.000 0.502 181 P HA -0.085 nan 4.420 nan 0.000 0.215 181 P C 1.121 178.536 177.300 0.191 0.000 1.153 181 P CA 0.836 63.931 63.100 -0.008 0.000 0.853 181 P CB 0.319 31.913 31.700 -0.178 0.000 0.788 182 S N -1.371 114.426 115.700 0.162 0.000 2.522 182 S HA -0.102 3.968 4.470 -0.666 0.000 0.227 182 S C 1.662 176.356 174.600 0.157 0.000 0.986 182 S CA 0.336 58.647 58.200 0.185 0.000 0.929 182 S CB -1.120 62.249 63.200 0.282 0.000 0.769 182 S HN 0.449 nan 8.310 nan 0.000 0.529 183 H N 0.835 119.941 119.070 0.061 0.000 2.559 183 H HA 0.184 4.422 4.556 -0.530 0.000 0.273 183 H C 1.757 177.088 175.328 0.005 0.000 1.000 183 H CA 0.397 56.448 56.048 0.005 0.000 1.195 183 H CB -0.547 29.178 29.762 -0.062 0.000 1.368 183 H HN 0.424 nan 8.280 nan 0.000 0.592 184 I N 0.573 120.919 120.570 -0.373 0.000 2.502 184 I HA -0.320 3.451 4.170 -0.666 0.000 0.258 184 I C 2.174 178.205 176.117 -0.144 0.000 1.172 184 I CA 0.919 62.063 61.300 -0.260 0.000 1.430 184 I CB -0.423 37.520 38.000 -0.096 0.000 1.086 184 I HN 0.164 nan 8.210 nan 0.000 0.440 185 Y N 2.077 122.250 120.300 -0.213 0.000 2.207 185 Y HA -0.258 3.888 4.550 -0.674 0.000 0.287 185 Y C 2.188 177.976 175.900 -0.188 0.000 1.156 185 Y CA 2.202 60.201 58.100 -0.168 0.000 1.182 185 Y CB -0.401 37.988 38.460 -0.119 0.000 0.979 185 Y HN 0.403 nan 8.280 nan 0.000 0.521 186 I N -2.700 117.698 120.570 -0.286 0.000 3.176 186 I HA -0.167 3.603 4.170 -0.666 0.000 0.275 186 I C 1.084 176.874 176.117 -0.544 0.000 1.298 186 I CA 1.357 62.401 61.300 -0.426 0.000 1.445 186 I CB -0.485 37.205 38.000 -0.517 0.000 1.075 186 I HN 0.159 nan 8.210 nan 0.000 0.482 187 H N 2.401 121.273 119.070 -0.330 0.000 2.586 187 H HA 0.128 4.268 4.556 -0.693 0.000 0.273 187 H C 1.624 176.838 175.328 -0.189 0.000 0.997 187 H CA 0.449 56.278 56.048 -0.365 0.000 1.177 187 H CB 0.143 29.556 29.762 -0.581 0.000 1.471 187 H HN 0.591 nan 8.280 nan 0.000 0.538 188 K N 0.445 120.755 120.400 -0.149 0.000 2.211 188 K HA -0.118 3.802 4.320 -0.666 0.000 0.204 188 K C 0.173 176.738 176.600 -0.058 0.000 1.047 188 K CA 1.594 57.804 56.287 -0.130 0.000 0.935 188 K CB 0.209 32.537 32.500 -0.287 0.000 0.728 188 K HN 0.006 nan 8.250 nan 0.000 0.452 189 D N 1.109 121.479 120.400 -0.051 0.000 2.402 189 D HA 0.032 4.272 4.640 -0.666 0.000 0.216 189 D C -0.289 176.042 176.300 0.051 0.000 1.128 189 D CA 0.049 54.048 54.000 -0.001 0.000 0.833 189 D CB 0.692 41.483 40.800 -0.016 0.000 0.971 189 D HN 0.148 nan 8.370 nan 0.000 0.503 190 S N 1.004 116.755 115.700 0.086 0.000 2.560 190 S HA 0.026 4.096 4.470 -0.666 0.000 0.284 190 S C 1.917 176.612 174.600 0.160 0.000 1.327 190 S CA -0.549 57.741 58.200 0.150 0.000 1.055 190 S CB 0.389 63.736 63.200 0.244 0.000 0.868 190 S HN 0.272 nan 8.310 nan 0.000 0.506 191 I N 3.260 123.917 120.570 0.145 0.000 2.454 191 I HA -0.079 3.691 4.170 -0.666 0.000 0.254 191 I C 1.990 178.184 176.117 0.130 0.000 1.156 191 I CA 1.182 62.550 61.300 0.114 0.000 1.433 191 I CB -0.434 37.620 38.000 0.089 0.000 1.082 191 I HN 0.579 nan 8.210 nan 0.000 0.432 192 L N 1.128 122.467 121.223 0.193 0.000 2.131 192 L HA -0.094 3.846 4.340 -0.666 0.000 0.210 192 L C 2.372 179.333 176.870 0.151 0.000 1.092 192 L CA 1.532 56.478 54.840 0.177 0.000 0.759 192 L CB -0.406 41.792 42.059 0.233 0.000 0.903 192 L HN 0.101 nan 8.230 nan 0.000 0.435 193 V N 0.038 120.066 119.914 0.190 0.000 2.237 193 V HA -0.337 3.383 4.120 -0.666 0.000 0.245 193 V C 2.604 178.761 176.094 0.106 0.000 1.046 193 V CA 2.375 64.768 62.300 0.154 0.000 1.007 193 V CB -0.751 31.166 31.823 0.156 0.000 0.638 193 V HN 0.563 nan 8.190 nan 0.000 0.445 194 K N 0.054 120.509 120.400 0.092 0.000 2.007 194 K HA -0.183 3.737 4.320 -0.666 0.000 0.206 194 K C 1.802 178.437 176.600 0.058 0.000 1.047 194 K CA 1.887 58.216 56.287 0.070 0.000 0.937 194 K CB -0.327 32.209 32.500 0.060 0.000 0.718 194 K HN 0.386 nan 8.250 nan 0.000 0.438 195 D N 0.373 120.806 120.400 0.055 0.000 2.265 195 D HA -0.130 4.110 4.640 -0.666 0.000 0.208 195 D C 0.892 177.211 176.300 0.032 0.000 0.977 195 D CA 1.022 55.042 54.000 0.034 0.000 0.871 195 D CB -0.075 40.740 40.800 0.025 0.000 0.925 195 D HN 0.252 nan 8.370 nan 0.000 0.485 196 N N 0.052 118.786 118.700 0.056 0.000 2.238 196 N HA -0.000 4.340 4.740 -0.666 0.000 0.235 196 N C -1.048 174.501 175.510 0.065 0.000 1.209 196 N CA -0.101 52.990 53.050 0.068 0.000 0.879 196 N CB 0.298 38.848 38.487 0.106 0.000 1.136 196 N HN -0.211 nan 8.380 nan 0.000 0.517 197 D N 0.411 120.847 120.400 0.061 0.000 2.802 197 D HA -0.210 4.030 4.640 -0.666 0.000 0.229 197 D C -0.949 175.393 176.300 0.070 0.000 1.203 197 D CA 0.652 54.690 54.000 0.064 0.000 0.712 197 D CB -0.927 39.906 40.800 0.054 0.000 0.973 197 D HN 0.376 nan 8.370 nan 0.000 0.407 198 L N 0.041 121.311 121.223 0.079 0.000 2.379 198 L HA 0.695 4.635 4.340 -0.666 0.000 0.269 198 L C 0.972 177.908 176.870 0.111 0.000 1.084 198 L CA -0.778 54.113 54.840 0.086 0.000 0.802 198 L CB 1.426 43.538 42.059 0.089 0.000 1.175 198 L HN 0.278 nan 8.230 nan 0.000 0.448 199 A N 3.181 126.078 122.820 0.128 0.000 2.260 199 A HA 0.674 4.594 4.320 -0.666 0.000 0.308 199 A C -0.901 176.805 177.584 0.204 0.000 1.254 199 A CA -0.254 51.888 52.037 0.176 0.000 0.874 199 A CB 0.568 19.671 19.000 0.172 0.000 1.153 199 A HN 0.508 nan 8.150 nan 0.000 0.527 200 L N 5.707 127.055 121.223 0.208 0.000 2.541 200 L HA 0.494 4.434 4.340 -0.666 0.000 0.266 200 L C -2.486 174.271 176.870 -0.188 0.000 0.966 200 L CA -1.300 53.583 54.840 0.070 0.000 0.871 200 L CB 2.525 44.642 42.059 0.097 0.000 1.232 200 L HN 0.503 nan 8.230 nan 0.000 0.408 201 P HA 0.189 nan 4.420 nan 0.000 0.275 201 P C 0.423 177.339 177.300 -0.640 0.000 1.266 201 P CA -0.267 62.147 63.100 -1.143 0.000 0.793 201 P CB 1.256 32.194 31.700 -1.270 0.000 1.074 202 L N -1.285 119.594 121.223 -0.573 0.000 2.416 202 L HA 0.317 4.257 4.340 -0.666 0.000 0.216 202 L C 1.454 178.163 176.870 -0.268 0.000 1.098 202 L CA 0.815 55.508 54.840 -0.245 0.000 0.840 202 L CB -0.299 41.720 42.059 -0.067 0.000 0.981 202 L HN 0.619 nan 8.230 nan 0.000 0.462 203 G N -1.083 107.373 108.800 -0.572 0.000 2.348 203 G HA2 0.424 3.984 3.960 -0.666 0.000 0.296 203 G HA3 0.424 3.984 3.960 -0.666 0.000 0.296 203 G C -1.980 172.332 174.900 -0.980 0.000 1.258 203 G CA -0.560 44.186 45.100 -0.589 0.000 0.868 203 G HN -0.175 nan 8.290 nan 0.000 0.488 204 F N -0.008 119.889 119.950 -0.088 0.000 2.591 204 F HA 0.715 4.837 4.527 -0.676 0.000 0.309 204 F C 0.320 176.077 175.800 -0.071 0.000 1.098 204 F CA -0.644 57.307 58.000 -0.083 0.000 0.937 204 F CB 2.647 41.591 39.000 -0.094 0.000 1.250 204 F HN 0.719 nan 8.300 nan 0.000 0.447 205 A N 3.866 126.769 122.820 0.138 0.000 2.280 205 A HA 0.737 4.657 4.320 -0.666 0.000 0.320 205 A C -2.691 174.939 177.584 0.076 0.000 1.366 205 A CA -1.726 50.355 52.037 0.074 0.000 0.938 205 A CB -0.159 18.878 19.000 0.062 0.000 1.157 205 A HN 0.389 nan 8.150 nan 0.000 0.536 206 P HA 0.331 nan 4.420 nan 0.000 0.268 206 P C 0.460 177.779 177.300 0.031 0.000 1.208 206 P CA 0.333 63.440 63.100 0.011 0.000 0.777 206 P CB 0.916 32.592 31.700 -0.040 0.000 0.875 207 G N -0.404 108.425 108.800 0.049 0.000 2.659 207 G HA2 0.636 4.196 3.960 -0.666 0.000 0.296 207 G HA3 0.636 4.196 3.960 -0.666 0.000 0.296 207 G C -0.460 174.443 174.900 0.004 0.000 1.369 207 G CA -0.221 44.911 45.100 0.052 0.000 0.937 207 G HN 0.802 nan 8.290 nan 0.000 0.485 208 G N 0.851 109.592 108.800 -0.099 0.000 2.681 208 G HA2 0.280 3.840 3.960 -0.666 0.000 0.220 208 G HA3 0.280 3.840 3.960 -0.666 0.000 0.220 208 G C -0.237 174.598 174.900 -0.109 0.000 1.353 208 G CA 0.386 45.355 45.100 -0.217 0.000 0.872 208 G HN 1.544 nan 8.290 nan 0.000 0.557 209 D N -1.106 119.231 120.400 -0.105 0.000 2.437 209 D HA 0.571 4.811 4.640 -0.666 0.000 0.259 209 D C 1.569 177.854 176.300 -0.026 0.000 1.118 209 D CA -0.164 53.805 54.000 -0.051 0.000 1.017 209 D CB 0.661 41.435 40.800 -0.044 0.000 1.120 209 D HN 0.670 nan 8.370 nan 0.000 0.541 210 R N -0.042 120.452 120.500 -0.011 0.000 2.094 210 R HA -0.244 3.696 4.340 -0.666 0.000 0.239 210 R C 1.853 178.158 176.300 0.009 0.000 1.137 210 R CA 1.815 57.915 56.100 0.001 0.000 0.943 210 R CB -0.215 30.092 30.300 0.011 0.000 0.850 210 R HN 0.568 nan 8.270 nan 0.000 0.433 211 K N 0.271 120.678 120.400 0.012 0.000 2.211 211 K HA -0.186 3.735 4.320 -0.666 0.000 0.204 211 K C 1.948 178.566 176.600 0.030 0.000 1.047 211 K CA 1.715 58.015 56.287 0.021 0.000 0.935 211 K CB 0.067 32.579 32.500 0.019 0.000 0.728 211 K HN 0.405 nan 8.250 nan 0.000 0.452 212 Q N -0.380 119.436 119.800 0.028 0.000 2.435 212 Q HA -0.077 3.863 4.340 -0.666 0.000 0.207 212 Q C 1.610 177.657 176.000 0.078 0.000 0.956 212 Q CA 0.471 56.316 55.803 0.070 0.000 0.917 212 Q CB 0.316 29.097 28.738 0.071 0.000 0.997 212 Q HN 0.284 nan 8.270 nan 0.000 0.497 213 Q N 0.009 119.829 119.800 0.034 0.000 2.369 213 Q HA -0.032 3.908 4.340 -0.666 0.000 0.206 213 Q C 1.013 177.009 176.000 -0.007 0.000 0.963 213 Q CA 1.077 56.878 55.803 -0.002 0.000 0.894 213 Q CB 0.242 28.962 28.738 -0.031 0.000 0.965 213 Q HN 0.425 nan 8.270 nan 0.000 0.475 214 T N -3.074 111.498 114.554 0.031 0.000 2.762 214 T HA 0.636 4.586 4.350 -0.666 0.000 0.301 214 T C -1.109 173.639 174.700 0.079 0.000 1.299 214 T CA -1.113 61.026 62.100 0.066 0.000 1.005 214 T CB 2.398 71.320 68.868 0.090 0.000 1.377 214 T HN 0.034 nan 8.240 nan 0.000 0.504 215 R N 1.189 121.763 120.500 0.123 0.000 2.468 215 R HA 0.619 4.560 4.340 -0.666 0.000 0.302 215 R C -1.606 174.766 176.300 0.120 0.000 1.041 215 R CA -0.603 55.568 56.100 0.118 0.000 0.899 215 R CB 1.331 31.703 30.300 0.120 0.000 1.167 215 R HN 0.612 nan 8.270 nan 0.000 0.483 216 V N 5.390 125.342 119.914 0.065 0.000 2.432 216 V HA 0.207 3.927 4.120 -0.666 0.000 0.271 216 V C 0.014 176.123 176.094 0.026 0.000 1.046 216 V CA -0.523 61.787 62.300 0.018 0.000 0.945 216 V CB 1.437 33.274 31.823 0.023 0.000 0.992 216 V HN 0.462 nan 8.190 nan 0.000 0.471 217 V N 5.510 125.414 119.914 -0.015 0.000 2.348 217 V HA 0.380 4.100 4.120 -0.666 0.000 0.270 217 V C 0.231 176.320 176.094 -0.009 0.000 1.037 217 V CA -0.229 62.102 62.300 0.052 0.000 0.872 217 V CB 1.209 33.135 31.823 0.171 0.000 1.002 217 V HN 1.152 nan 8.190 nan 0.000 0.464 218 D N 1.481 121.869 120.400 -0.021 0.000 2.602 218 D HA 0.070 4.310 4.640 -0.666 0.000 0.265 218 D C 0.339 176.614 176.300 -0.042 0.000 1.454 218 D CA -0.167 53.758 54.000 -0.127 0.000 0.795 218 D CB 0.326 41.009 40.800 -0.196 0.000 1.140 218 D HN 0.551 nan 8.370 nan 0.000 0.486 219 D N -0.703 119.709 120.400 0.020 0.000 2.582 219 D HA 0.008 4.248 4.640 -0.666 0.000 0.246 219 D C -0.431 175.898 176.300 0.048 0.000 1.334 219 D CA -0.324 53.695 54.000 0.032 0.000 0.805 219 D CB 0.018 40.840 40.800 0.037 0.000 1.087 219 D HN 0.128 nan 8.370 nan 0.000 0.499 220 D N 1.240 121.681 120.400 0.068 0.000 2.425 220 D HA -0.040 4.200 4.640 -0.666 0.000 0.247 220 D C 1.665 177.987 176.300 0.037 0.000 1.147 220 D CA -0.212 53.833 54.000 0.075 0.000 0.879 220 D CB 2.180 43.048 40.800 0.112 0.000 1.179 220 D HN -0.192 nan 8.370 nan 0.000 0.456 221 V N 4.041 123.970 119.914 0.024 0.000 2.469 221 V HA -0.224 3.496 4.120 -0.666 0.000 0.251 221 V C 2.232 178.326 176.094 -0.001 0.000 1.064 221 V CA 1.098 63.403 62.300 0.009 0.000 1.066 221 V CB -0.282 31.543 31.823 0.003 0.000 0.667 221 V HN 0.554 nan 8.190 nan 0.000 0.461 222 V N 0.228 120.136 119.914 -0.010 0.000 3.573 222 V HA 0.304 4.024 4.120 -0.666 0.000 0.270 222 V C 1.870 177.960 176.094 -0.007 0.000 1.221 222 V CA 1.262 63.548 62.300 -0.024 0.000 1.163 222 V CB -0.442 31.349 31.823 -0.055 0.000 0.847 222 V HN 0.753 nan 8.190 nan 0.000 0.468 223 G N 0.500 109.307 108.800 0.012 0.000 2.175 223 G HA2 -0.258 3.302 3.960 -0.666 0.000 0.244 223 G HA3 -0.258 3.302 3.960 -0.666 0.000 0.244 223 G C 0.362 175.293 174.900 0.052 0.000 0.982 223 G CA -0.151 44.965 45.100 0.028 0.000 0.641 223 G HN 0.463 nan 8.290 nan 0.000 0.527 224 R N 0.407 120.939 120.500 0.054 0.000 2.638 224 R HA 0.306 4.246 4.340 -0.666 0.000 0.268 224 R C -0.164 176.276 176.300 0.234 0.000 1.006 224 R CA 0.529 56.702 56.100 0.122 0.000 1.088 224 R CB 0.272 30.568 30.300 -0.007 0.000 0.950 224 R HN 0.039 nan 8.270 nan 0.000 0.419 225 K N 1.528 122.114 120.400 0.310 0.000 2.507 225 K HA 0.508 4.429 4.320 -0.666 0.000 0.252 225 K C -0.225 176.489 176.600 0.188 0.000 0.943 225 K CA -0.495 55.882 56.287 0.149 0.000 0.808 225 K CB 2.354 34.855 32.500 0.002 0.000 1.142 225 K HN 0.896 nan 8.250 nan 0.000 0.426 226 G N 0.091 108.793 108.800 -0.163 0.000 2.619 226 G HA2 0.588 4.148 3.960 -0.666 0.000 0.305 226 G HA3 0.588 4.148 3.960 -0.666 0.000 0.305 226 G C -1.680 172.782 174.900 -0.729 0.000 1.330 226 G CA -0.481 44.179 45.100 -0.733 0.000 0.789 226 G HN 0.190 nan 8.290 nan 0.000 0.487 227 V N -0.098 119.265 119.914 -0.919 0.000 2.760 227 V HA 0.514 4.234 4.120 -0.666 0.000 0.309 227 V C -1.518 174.268 176.094 -0.513 0.000 1.077 227 V CA -0.789 61.208 62.300 -0.505 0.000 0.910 227 V CB 1.726 33.401 31.823 -0.247 0.000 1.008 227 V HN 0.664 nan 8.190 nan 0.000 0.424 228 Y N 1.577 121.814 120.300 -0.105 0.000 2.342 228 Y HA 0.481 4.637 4.550 -0.658 0.000 0.334 228 Y C 0.282 176.266 175.900 0.141 0.000 1.067 228 Y CA -0.480 57.639 58.100 0.032 0.000 1.128 228 Y CB 1.389 39.852 38.460 0.006 0.000 1.200 228 Y HN 0.713 nan 8.280 nan 0.000 0.464 229 D N 3.827 124.391 120.400 0.274 0.000 2.380 229 D HA 0.195 4.435 4.640 -0.666 0.000 0.230 229 D C -0.433 175.832 176.300 -0.058 0.000 1.154 229 D CA 0.034 54.013 54.000 -0.036 0.000 0.859 229 D CB 0.458 41.040 40.800 -0.363 0.000 1.045 229 D HN 0.577 nan 8.370 nan 0.000 0.495 230 L N 4.882 126.063 121.223 -0.069 0.000 2.928 230 L HA 0.291 4.231 4.340 -0.666 0.000 0.246 230 L C 1.951 178.724 176.870 -0.162 0.000 1.239 230 L CA -0.327 54.455 54.840 -0.096 0.000 1.035 230 L CB 0.052 42.087 42.059 -0.040 0.000 1.360 230 L HN 0.496 nan 8.230 nan 0.000 0.529 231 I N 0.668 121.081 120.570 -0.262 0.000 2.454 231 I HA -0.183 3.587 4.170 -0.666 0.000 0.254 231 I C 2.075 177.992 176.117 -0.333 0.000 1.156 231 I CA 1.436 62.551 61.300 -0.308 0.000 1.433 231 I CB 0.245 37.971 38.000 -0.457 0.000 1.082 231 I HN 0.396 nan 8.210 nan 0.000 0.432 232 G N -0.309 108.248 108.800 -0.405 0.000 2.813 232 G HA2 -0.100 3.460 3.960 -0.666 0.000 0.209 232 G HA3 -0.100 3.460 3.960 -0.666 0.000 0.209 232 G C 1.317 176.124 174.900 -0.156 0.000 1.150 232 G CA 0.005 44.941 45.100 -0.272 0.000 0.785 232 G HN 0.454 nan 8.290 nan 0.000 0.535 233 E N -0.151 119.922 120.200 -0.212 0.000 2.216 233 E HA -0.030 3.920 4.350 -0.666 0.000 0.192 233 E C 1.156 177.457 176.600 -0.499 0.000 0.988 233 E CA 0.656 56.850 56.400 -0.343 0.000 0.834 233 E CB 0.064 29.505 29.700 -0.432 0.000 0.772 233 E HN 0.495 nan 8.360 nan 0.000 0.479 234 H N -1.532 117.521 119.070 -0.028 0.000 3.535 234 H HA 0.215 4.371 4.556 -0.667 0.000 0.260 234 H C 0.757 176.089 175.328 0.006 0.000 1.173 234 H CA 0.268 56.311 56.048 -0.008 0.000 1.168 234 H CB 0.758 30.511 29.762 -0.015 0.000 1.568 234 H HN -0.008 nan 8.280 nan 0.000 0.602 235 G N 1.191 110.042 108.800 0.085 0.000 2.507 235 G HA2 0.394 3.955 3.960 -0.666 0.000 0.271 235 G HA3 0.394 3.955 3.960 -0.666 0.000 0.271 235 G C -0.328 174.652 174.900 0.133 0.000 1.189 235 G CA -0.245 44.914 45.100 0.098 0.000 0.859 235 G HN 0.004 nan 8.290 nan 0.000 0.542 236 V N 3.684 123.684 119.914 0.144 0.000 2.333 236 V HA 0.276 3.996 4.120 -0.666 0.000 0.274 236 V C -1.633 174.564 176.094 0.171 0.000 1.028 236 V CA -1.385 61.003 62.300 0.148 0.000 0.851 236 V CB 1.337 33.227 31.823 0.111 0.000 1.000 236 V HN 0.669 nan 8.190 nan 0.000 0.456 237 P HA 0.092 nan 4.420 nan 0.000 0.268 237 P C -0.527 176.733 177.300 -0.066 0.000 1.205 237 P CA 0.079 63.211 63.100 0.053 0.000 0.771 237 P CB 1.169 32.952 31.700 0.139 0.000 0.858 238 V N 4.355 124.073 119.914 -0.327 0.000 2.364 238 V HA 0.148 3.868 4.120 -0.666 0.000 0.272 238 V C 0.729 176.585 176.094 -0.396 0.000 1.036 238 V CA 0.284 62.448 62.300 -0.226 0.000 0.880 238 V CB -0.050 31.651 31.823 -0.203 0.000 0.991 238 V HN 0.482 nan 8.190 nan 0.000 0.460 239 F N 1.564 121.492 119.950 -0.038 0.000 2.746 239 F HA 0.339 4.470 4.527 -0.662 0.000 0.313 239 F C 1.097 176.908 175.800 0.020 0.000 1.095 239 F CA -0.125 57.840 58.000 -0.060 0.000 1.224 239 F CB 0.853 39.854 39.000 0.001 0.000 1.060 239 F HN 0.417 nan 8.300 nan 0.000 0.584 240 E N 0.494 120.805 120.200 0.185 0.000 2.331 240 E HA 0.354 4.304 4.350 -0.666 0.000 0.243 240 E C -0.053 176.596 176.600 0.082 0.000 0.925 240 E CA -0.488 56.002 56.400 0.151 0.000 0.760 240 E CB 1.270 31.068 29.700 0.164 0.000 1.254 240 E HN 0.149 nan 8.360 nan 0.000 0.419 241 G N 2.132 110.972 108.800 0.067 0.000 2.364 241 G HA2 0.316 3.876 3.960 -0.666 0.000 0.267 241 G HA3 0.316 3.876 3.960 -0.666 0.000 0.267 241 G C 0.165 175.091 174.900 0.044 0.000 1.233 241 G CA -0.056 45.071 45.100 0.045 0.000 0.885 241 G HN 0.344 nan 8.290 nan 0.000 0.490 242 T N -0.571 113.999 114.554 0.026 0.000 2.908 242 T HA 0.730 4.680 4.350 -0.666 0.000 0.290 242 T C -0.385 174.320 174.700 0.009 0.000 1.034 242 T CA -0.849 61.265 62.100 0.024 0.000 1.010 242 T CB 1.908 70.792 68.868 0.026 0.000 1.068 242 T HN 0.335 nan 8.240 nan 0.000 0.481 243 I N 1.456 122.033 120.570 0.010 0.000 2.500 243 I HA 0.523 4.293 4.170 -0.666 0.000 0.286 243 I C 1.006 177.126 176.117 0.005 0.000 1.063 243 I CA -0.687 60.614 61.300 0.002 0.000 1.062 243 I CB 1.607 39.608 38.000 0.001 0.000 1.223 243 I HN 1.156 nan 8.210 nan 0.000 0.435 244 G N 4.096 112.897 108.800 0.002 0.000 2.198 244 G HA2 -0.165 3.395 3.960 -0.666 0.000 0.260 244 G HA3 -0.165 3.395 3.960 -0.666 0.000 0.260 244 G C 1.012 175.918 174.900 0.009 0.000 1.025 244 G CA 0.550 45.652 45.100 0.004 0.000 0.769 244 G HN 1.522 nan 8.290 nan 0.000 0.507 245 G N -1.573 107.234 108.800 0.012 0.000 2.225 245 G HA2 -0.222 3.339 3.960 -0.666 0.000 0.254 245 G HA3 -0.222 3.339 3.960 -0.666 0.000 0.254 245 G C 0.191 175.103 174.900 0.020 0.000 0.988 245 G CA 1.105 46.214 45.100 0.016 0.000 0.625 245 G HN 1.117 nan 8.290 nan 0.000 0.527 246 E N 0.354 120.566 120.200 0.019 0.000 2.227 246 E HA 0.557 4.507 4.350 -0.666 0.000 0.282 246 E C 0.541 177.158 176.600 0.029 0.000 1.015 246 E CA -0.449 55.964 56.400 0.022 0.000 0.823 246 E CB 1.527 31.238 29.700 0.018 0.000 1.081 246 E HN 0.245 nan 8.360 nan 0.000 0.396 247 V N 4.917 124.853 119.914 0.036 0.000 2.521 247 V HA 0.017 3.737 4.120 -0.666 0.000 0.286 247 V C 1.128 177.249 176.094 0.046 0.000 1.034 247 V CA 0.350 62.678 62.300 0.048 0.000 1.045 247 V CB 0.759 32.618 31.823 0.060 0.000 0.974 247 V HN 0.685 nan 8.190 nan 0.000 0.480 248 V N 2.181 122.126 119.914 0.050 0.000 3.604 248 V HA 0.543 4.263 4.120 -0.666 0.000 0.277 248 V C 0.362 176.494 176.094 0.062 0.000 1.399 248 V CA 0.038 62.367 62.300 0.049 0.000 1.034 248 V CB 0.249 32.097 31.823 0.043 0.000 0.824 248 V HN 0.757 nan 8.190 nan 0.000 0.439 249 R N 0.329 120.874 120.500 0.075 0.000 2.629 249 R HA 0.596 4.536 4.340 -0.666 0.000 0.266 249 R C -1.509 174.845 176.300 0.089 0.000 1.051 249 R CA -0.173 55.975 56.100 0.081 0.000 0.895 249 R CB 1.834 32.197 30.300 0.105 0.000 1.246 249 R HN 0.453 nan 8.270 nan 0.000 0.459 250 E N 0.978 121.230 120.200 0.086 0.000 2.277 250 E HA 0.506 4.456 4.350 -0.666 0.000 0.266 250 E C -0.345 176.260 176.600 0.009 0.000 0.901 250 E CA -1.076 55.389 56.400 0.107 0.000 0.782 250 E CB 2.035 31.868 29.700 0.223 0.000 1.228 250 E HN 0.737 nan 8.360 nan 0.000 0.424 251 G N 0.364 109.126 108.800 -0.064 0.000 2.553 251 G HA2 0.460 4.020 3.960 -0.666 0.000 0.278 251 G HA3 0.460 4.020 3.960 -0.666 0.000 0.278 251 G C -0.740 174.030 174.900 -0.218 0.000 1.349 251 G CA -0.307 44.701 45.100 -0.153 0.000 1.037 251 G HN 0.477 nan 8.290 nan 0.000 0.508 252 A N -1.150 121.606 122.820 -0.108 0.000 2.274 252 A HA 0.584 4.504 4.320 -0.666 0.000 0.309 252 A C -0.995 176.532 177.584 -0.095 0.000 1.226 252 A CA -0.584 51.414 52.037 -0.065 0.000 0.853 252 A CB 0.377 19.405 19.000 0.047 0.000 1.146 252 A HN 0.582 nan 8.150 nan 0.000 0.518 253 Y N 2.439 122.806 120.300 0.111 0.000 2.933 253 Y HA 0.343 4.495 4.550 -0.663 0.000 0.380 253 Y C 1.487 177.392 175.900 0.009 0.000 1.056 253 Y CA -0.035 58.060 58.100 -0.008 0.000 1.704 253 Y CB 0.052 38.471 38.460 -0.067 0.000 1.558 253 Y HN 0.750 nan 8.280 nan 0.000 0.501 254 G N -0.043 108.839 108.800 0.136 0.000 2.616 254 G HA2 0.099 3.659 3.960 -0.666 0.000 0.268 254 G HA3 0.099 3.659 3.960 -0.666 0.000 0.268 254 G C 0.623 175.574 174.900 0.085 0.000 1.213 254 G CA -0.382 44.781 45.100 0.104 0.000 0.926 254 G HN 0.460 nan 8.290 nan 0.000 0.523 255 E N -0.512 119.727 120.200 0.066 0.000 2.250 255 E HA -0.007 3.944 4.350 -0.666 0.000 0.192 255 E C 0.383 177.014 176.600 0.053 0.000 0.986 255 E CA 0.398 56.829 56.400 0.052 0.000 0.849 255 E CB 0.193 29.917 29.700 0.040 0.000 0.797 255 E HN 0.326 nan 8.360 nan 0.000 0.482 256 K N 1.831 122.265 120.400 0.056 0.000 2.349 256 K HA 0.150 4.070 4.320 -0.666 0.000 0.289 256 K C -0.367 176.270 176.600 0.062 0.000 1.064 256 K CA -0.096 56.220 56.287 0.048 0.000 0.947 256 K CB 1.000 33.523 32.500 0.038 0.000 1.007 256 K HN -0.049 nan 8.250 nan 0.000 0.478 257 I N 4.945 125.550 120.570 0.058 0.000 2.325 257 I HA 0.147 3.918 4.170 -0.666 0.000 0.291 257 I C 0.411 176.570 176.117 0.070 0.000 1.019 257 I CA -0.364 60.982 61.300 0.077 0.000 1.302 257 I CB 0.557 38.599 38.000 0.070 0.000 1.401 257 I HN 0.361 nan 8.210 nan 0.000 0.485 258 V N 2.660 122.635 119.914 0.103 0.000 3.160 258 V HA 0.889 4.609 4.120 -0.666 0.000 0.310 258 V C 0.497 176.679 176.094 0.147 0.000 1.181 258 V CA -0.985 61.392 62.300 0.129 0.000 1.047 258 V CB 1.386 33.314 31.823 0.175 0.000 1.068 258 V HN 1.008 nan 8.190 nan 0.000 0.441 259 A N 1.603 124.511 122.820 0.147 0.000 2.560 259 A HA -0.228 3.692 4.320 -0.666 0.000 0.299 259 A C 0.760 178.370 177.584 0.044 0.000 1.484 259 A CA 1.582 53.645 52.037 0.043 0.000 0.749 259 A CB -2.452 16.501 19.000 -0.079 0.000 1.072 259 A HN 1.748 nan 8.150 nan 0.000 0.426 260 N N -0.901 117.829 118.700 0.050 0.000 2.205 260 N HA 0.247 4.587 4.740 -0.666 0.000 0.201 260 N C 0.018 175.542 175.510 0.023 0.000 1.128 260 N CA 0.261 53.330 53.050 0.032 0.000 0.867 260 N CB 0.439 38.951 38.487 0.042 0.000 0.996 260 N HN 0.458 nan 8.380 nan 0.000 0.503 261 D N 1.285 121.717 120.400 0.052 0.000 2.346 261 D HA 0.342 4.582 4.640 -0.666 0.000 0.255 261 D C -1.248 175.139 176.300 0.145 0.000 1.276 261 D CA -0.367 53.700 54.000 0.111 0.000 0.941 261 D CB 0.654 41.526 40.800 0.119 0.000 1.199 261 D HN 0.153 nan 8.370 nan 0.000 0.537 262 I N 2.141 122.802 120.570 0.152 0.000 2.474 262 I HA 0.536 4.306 4.170 -0.666 0.000 0.294 262 I C -0.187 176.064 176.117 0.224 0.000 1.005 262 I CA -0.743 60.646 61.300 0.150 0.000 1.113 262 I CB 1.954 39.998 38.000 0.075 0.000 1.289 262 I HN 0.364 nan 8.210 nan 0.000 0.436 263 S N 5.709 121.476 115.700 0.112 0.000 2.541 263 S HA 0.727 4.797 4.470 -0.666 0.000 0.271 263 S C -1.094 173.235 174.600 -0.451 0.000 1.133 263 S CA -0.749 57.296 58.200 -0.259 0.000 0.876 263 S CB 2.387 65.143 63.200 -0.741 0.000 1.105 263 S HN 0.463 nan 8.310 nan 0.000 0.470 264 I N 1.557 121.490 120.570 -1.063 0.000 2.474 264 I HA 0.845 4.615 4.170 -0.666 0.000 0.294 264 I C -1.915 173.603 176.117 -0.998 0.000 1.005 264 I CA -0.704 60.015 61.300 -0.969 0.000 1.113 264 I CB 1.137 38.270 38.000 -1.445 0.000 1.289 264 I HN 0.857 nan 8.210 nan 0.000 0.436 265 W N 6.424 127.541 121.300 -0.304 0.000 2.936 265 W HA 0.603 4.859 4.660 -0.674 0.000 0.338 265 W C -1.012 175.543 176.519 0.059 0.000 1.121 265 W CA -0.666 56.615 57.345 -0.108 0.000 1.209 265 W CB 0.981 30.351 29.460 -0.151 0.000 1.420 265 W HN 0.241 nan 8.180 nan 0.000 0.516 266 L N 4.550 126.015 121.223 0.404 0.000 2.461 266 L HA 0.102 4.042 4.340 -0.666 0.000 0.272 266 L C -0.838 176.151 176.870 0.198 0.000 1.197 266 L CA -1.137 53.901 54.840 0.330 0.000 0.836 266 L CB 0.805 42.968 42.059 0.174 0.000 1.105 266 L HN 0.248 nan 8.230 nan 0.000 0.477 267 P HA 0.066 nan 4.420 nan 0.000 0.249 267 P C 0.346 177.916 177.300 0.450 0.000 1.229 267 P CA 0.547 63.674 63.100 0.045 0.000 0.788 267 P CB 0.603 32.110 31.700 -0.322 0.000 1.072 268 G N -0.829 108.202 108.800 0.386 0.000 2.906 268 G HA2 0.147 3.707 3.960 -0.666 0.000 0.235 268 G HA3 0.147 3.707 3.960 -0.666 0.000 0.235 268 G C -1.554 173.436 174.900 0.150 0.000 3.666 268 G CA -0.288 45.053 45.100 0.403 0.000 0.647 268 G HN 0.254 nan 8.290 nan 0.000 0.417 269 V N 1.627 121.461 119.914 -0.134 0.000 2.638 269 V HA 0.872 4.592 4.120 -0.666 0.000 0.306 269 V C -0.754 175.186 176.094 -0.258 0.000 1.052 269 V CA -1.058 60.916 62.300 -0.543 0.000 0.885 269 V CB 1.800 32.795 31.823 -1.380 0.000 0.999 269 V HN 0.761 nan 8.190 nan 0.000 0.424 270 L N 6.055 127.160 121.223 -0.195 0.000 2.322 270 L HA 0.646 4.587 4.340 -0.666 0.000 0.279 270 L C -0.301 176.582 176.870 0.022 0.000 1.036 270 L CA 0.082 54.913 54.840 -0.015 0.000 0.807 270 L CB 1.403 43.540 42.059 0.131 0.000 1.226 270 L HN 0.792 nan 8.230 nan 0.000 0.433 271 K N 4.121 124.582 120.400 0.102 0.000 2.413 271 K HA 0.625 4.545 4.320 -0.666 0.000 0.257 271 K C -1.962 174.651 176.600 0.022 0.000 0.946 271 K CA -0.651 55.682 56.287 0.076 0.000 0.823 271 K CB 1.548 34.198 32.500 0.250 0.000 1.109 271 K HN 0.484 nan 8.250 nan 0.000 0.427 272 V N 4.004 123.867 119.914 -0.085 0.000 2.378 272 V HA 0.331 4.051 4.120 -0.666 0.000 0.288 272 V C -0.851 175.206 176.094 -0.062 0.000 1.016 272 V CA -0.931 61.330 62.300 -0.065 0.000 0.840 272 V CB 1.137 32.869 31.823 -0.153 0.000 0.994 272 V HN 0.828 nan 8.190 nan 0.000 0.431 273 N N 6.282 124.980 118.700 -0.002 0.000 2.371 273 N HA 0.610 4.951 4.740 -0.666 0.000 0.291 273 N C -3.136 172.397 175.510 0.038 0.000 1.053 273 N CA -1.438 51.615 53.050 0.005 0.000 0.870 273 N CB 3.680 42.177 38.487 0.017 0.000 1.503 273 N HN 0.345 nan 8.380 nan 0.000 0.485 274 P HA 0.430 nan 4.420 nan 0.000 0.292 274 P C -1.500 175.847 177.300 0.079 0.000 1.283 274 P CA -0.287 62.818 63.100 0.008 0.000 0.835 274 P CB 1.123 32.811 31.700 -0.019 0.000 1.017 275 F N 3.850 123.678 119.950 -0.204 0.000 2.708 275 F HA 0.316 4.458 4.527 -0.641 0.000 0.309 275 F C -2.229 173.377 175.800 -0.323 0.000 1.120 275 F CA -1.876 55.971 58.000 -0.254 0.000 0.978 275 F CB 2.363 41.224 39.000 -0.231 0.000 1.283 275 F HN 0.122 nan 8.300 nan 0.000 0.439 276 P HA 0.073 nan 4.420 nan 0.000 0.249 276 P C -0.702 176.035 177.300 -0.938 0.000 1.229 276 P CA 0.667 62.759 63.100 -1.680 0.000 0.788 276 P CB 0.245 31.170 31.700 -1.292 0.000 1.072 277 N N -0.261 118.021 118.700 -0.697 0.000 2.265 277 N HA 0.330 4.670 4.740 -0.666 0.000 0.300 277 N C -2.255 173.118 175.510 -0.228 0.000 1.148 277 N CA -2.427 50.386 53.050 -0.396 0.000 0.772 277 N CB 1.621 39.850 38.487 -0.430 0.000 1.434 277 N HN -0.384 nan 8.380 nan 0.000 0.481 278 P HA -0.091 nan 4.420 nan 0.000 0.222 278 P C -0.395 176.864 177.300 -0.068 0.000 1.142 278 P CA 1.199 64.264 63.100 -0.059 0.000 0.788 278 P CB 0.098 31.786 31.700 -0.019 0.000 0.767 279 D N -2.949 117.392 120.400 -0.098 0.000 2.462 279 D HA 0.120 4.360 4.640 -0.666 0.000 0.221 279 D C 0.383 176.592 176.300 -0.152 0.000 1.173 279 D CA 0.141 54.084 54.000 -0.095 0.000 0.831 279 D CB -0.150 40.612 40.800 -0.064 0.000 1.001 279 D HN 0.140 nan 8.370 nan 0.000 0.499 280 M N -0.223 119.258 119.600 -0.198 0.000 2.719 280 M HA 0.562 4.642 4.480 -0.666 0.000 0.291 280 M C -0.738 175.452 176.300 -0.183 0.000 1.264 280 M CA -0.726 54.433 55.300 -0.235 0.000 0.811 280 M CB 2.983 35.355 32.600 -0.381 0.000 1.756 280 M HN -0.252 nan 8.290 nan 0.000 0.464 281 M N 0.776 120.263 119.600 -0.188 0.000 2.550 281 M HA 0.442 4.522 4.480 -0.666 0.000 0.292 281 M C -1.323 174.776 176.300 -0.335 0.000 1.221 281 M CA -0.636 54.498 55.300 -0.277 0.000 0.873 281 M CB 2.833 35.194 32.600 -0.399 0.000 1.727 281 M HN 0.593 nan 8.290 nan 0.000 0.459 282 Q N 1.577 121.152 119.800 -0.376 0.000 2.340 282 Q HA 0.664 4.604 4.340 -0.666 0.000 0.268 282 Q C -2.113 173.656 176.000 -0.385 0.000 1.031 282 Q CA -0.431 55.252 55.803 -0.200 0.000 0.804 282 Q CB 1.720 30.507 28.738 0.083 0.000 1.286 282 Q HN 0.584 nan 8.270 nan 0.000 0.448 283 F N 2.495 122.555 119.950 0.182 0.000 2.507 283 F HA 0.366 4.490 4.527 -0.672 0.000 0.328 283 F C -0.463 175.397 175.800 0.099 0.000 1.136 283 F CA -0.645 57.392 58.000 0.063 0.000 0.930 283 F CB 1.782 40.869 39.000 0.146 0.000 1.166 283 F HN 0.474 nan 8.300 nan 0.000 0.436 284 E N 2.569 122.816 120.200 0.077 0.000 2.292 284 E HA 0.369 4.320 4.350 -0.666 0.000 0.272 284 E C -1.831 174.642 176.600 -0.212 0.000 0.881 284 E CA -0.914 55.558 56.400 0.119 0.000 0.754 284 E CB 2.133 31.931 29.700 0.163 0.000 1.201 284 E HN 0.509 nan 8.360 nan 0.000 0.425 285 W N 2.150 123.363 121.300 -0.144 0.000 2.578 285 W HA 0.353 4.618 4.660 -0.658 0.000 0.346 285 W C -0.950 175.432 176.519 -0.229 0.000 1.075 285 W CA -0.897 56.334 57.345 -0.190 0.000 1.233 285 W CB 1.728 31.192 29.460 0.006 0.000 1.358 285 W HN 0.606 nan 8.180 nan 0.000 0.574 286 Y N 1.004 121.648 120.300 0.574 0.000 2.749 286 Y HA 0.288 4.700 4.550 -0.230 0.000 0.343 286 Y C 0.130 176.322 175.900 0.487 0.000 1.015 286 Y CA -0.838 57.561 58.100 0.498 0.000 1.270 286 Y CB 0.228 38.835 38.460 0.245 0.000 1.097 286 Y HN -0.140 nan 8.280 nan 0.000 0.571 287 V N 4.722 124.973 119.914 0.562 0.000 2.432 287 V HA 0.277 3.997 4.120 -0.666 0.000 0.271 287 V C -2.229 173.962 176.094 0.161 0.000 1.046 287 V CA -2.246 60.237 62.300 0.306 0.000 0.945 287 V CB 1.071 33.070 31.823 0.294 0.000 0.992 287 V HN 0.411 nan 8.190 nan 0.000 0.471 288 P HA 0.273 nan 4.420 nan 0.000 0.271 288 P C 0.468 177.675 177.300 -0.156 0.000 1.226 288 P CA 0.239 63.230 63.100 -0.182 0.000 0.765 288 P CB 0.803 32.159 31.700 -0.573 0.000 0.835 289 I N 1.710 122.236 120.570 -0.073 0.000 2.947 289 I HA 0.082 3.852 4.170 -0.666 0.000 0.263 289 I C 0.526 176.595 176.117 -0.079 0.000 1.130 289 I CA 0.890 62.115 61.300 -0.125 0.000 1.448 289 I CB 0.148 38.010 38.000 -0.230 0.000 1.222 289 I HN 0.408 nan 8.210 nan 0.000 0.453 290 D N -1.235 119.147 120.400 -0.030 0.000 2.768 290 D HA -0.006 4.234 4.640 -0.666 0.000 0.327 290 D C 0.236 176.567 176.300 0.051 0.000 1.302 290 D CA -0.552 53.447 54.000 -0.003 0.000 0.897 290 D CB 0.167 40.965 40.800 -0.003 0.000 1.420 290 D HN 0.146 nan 8.370 nan 0.000 0.494 291 E N -0.508 119.726 120.200 0.058 0.000 2.333 291 E HA -0.178 3.772 4.350 -0.666 0.000 0.198 291 E C 0.199 176.861 176.600 0.103 0.000 1.007 291 E CA 0.932 57.387 56.400 0.092 0.000 0.845 291 E CB -0.405 29.339 29.700 0.073 0.000 0.766 291 E HN 0.340 nan 8.360 nan 0.000 0.507 292 N N 0.643 119.393 118.700 0.082 0.000 2.184 292 N HA 0.030 4.370 4.740 -0.666 0.000 0.206 292 N C 0.005 175.572 175.510 0.095 0.000 1.151 292 N CA 0.913 54.012 53.050 0.083 0.000 0.878 292 N CB 1.391 39.912 38.487 0.056 0.000 1.014 292 N HN 0.314 nan 8.380 nan 0.000 0.512 293 T N -1.210 113.402 114.554 0.098 0.000 2.883 293 T HA 0.459 4.409 4.350 -0.666 0.000 0.301 293 T C -0.959 173.825 174.700 0.140 0.000 1.158 293 T CA -0.746 61.396 62.100 0.070 0.000 1.007 293 T CB 2.777 71.620 68.868 -0.043 0.000 1.186 293 T HN 0.220 nan 8.240 nan 0.000 0.499 294 H N -0.168 118.924 119.070 0.037 0.000 3.016 294 H HA 0.449 4.622 4.556 -0.639 0.000 0.362 294 H C -2.080 173.306 175.328 0.097 0.000 1.233 294 H CA -0.902 55.201 56.048 0.091 0.000 1.124 294 H CB 0.699 30.622 29.762 0.268 0.000 1.850 294 H HN 0.611 nan 8.280 nan 0.000 0.549 295 Y N 1.197 121.665 120.300 0.280 0.000 2.316 295 Y HA 0.145 4.291 4.550 -0.674 0.000 0.331 295 Y C -0.252 175.948 175.900 0.500 0.000 1.083 295 Y CA -0.324 57.931 58.100 0.259 0.000 1.206 295 Y CB 0.616 39.203 38.460 0.213 0.000 1.195 295 Y HN 0.515 nan 8.280 nan 0.000 0.497 296 Y N 5.884 126.456 120.300 0.453 0.000 2.804 296 Y HA 0.282 4.466 4.550 -0.610 0.000 0.330 296 Y C -1.492 174.636 175.900 0.381 0.000 1.092 296 Y CA -2.332 56.044 58.100 0.460 0.000 1.315 296 Y CB -0.495 38.190 38.460 0.374 0.000 1.188 296 Y HN 0.514 nan 8.280 nan 0.000 0.512 297 F N 5.785 125.878 119.950 0.238 0.000 2.405 297 F HA 0.363 4.483 4.527 -0.679 0.000 0.358 297 F C -0.088 175.755 175.800 0.072 0.000 1.151 297 F CA -0.168 57.865 58.000 0.055 0.000 1.161 297 F CB 0.293 39.262 39.000 -0.053 0.000 1.245 297 F HN 0.430 nan 8.300 nan 0.000 0.545 298 Q N 3.501 123.184 119.800 -0.196 0.000 2.241 298 Q HA 0.502 4.442 4.340 -0.666 0.000 0.254 298 Q C -0.323 175.767 176.000 0.151 0.000 0.917 298 Q CA -0.721 55.054 55.803 -0.047 0.000 0.919 298 Q CB 1.898 30.515 28.738 -0.202 0.000 1.237 298 Q HN 0.657 nan 8.270 nan 0.000 0.434 299 T N -0.415 114.347 114.554 0.347 0.000 2.916 299 T HA 0.689 4.639 4.350 -0.666 0.000 0.305 299 T C -0.891 174.059 174.700 0.417 0.000 1.119 299 T CA -0.822 61.542 62.100 0.441 0.000 1.008 299 T CB 0.857 70.160 68.868 0.726 0.000 1.129 299 T HN 0.413 nan 8.240 nan 0.000 0.480 300 L N 1.819 123.241 121.223 0.332 0.000 2.362 300 L HA 0.794 4.734 4.340 -0.666 0.000 0.275 300 L C 0.477 177.535 176.870 0.314 0.000 0.998 300 L CA -1.010 53.994 54.840 0.273 0.000 0.820 300 L CB 2.198 44.422 42.059 0.275 0.000 1.270 300 L HN 1.051 nan 8.230 nan 0.000 0.415 301 G N 1.796 110.743 108.800 0.244 0.000 2.452 301 G HA2 0.646 4.206 3.960 -0.666 0.000 0.324 301 G HA3 0.646 4.206 3.960 -0.666 0.000 0.324 301 G C -1.491 173.365 174.900 -0.073 0.000 1.214 301 G CA -0.403 44.818 45.100 0.201 0.000 0.947 301 G HN 0.517 nan 8.290 nan 0.000 0.478 302 K N 2.402 122.626 120.400 -0.294 0.000 2.581 302 K HA 0.434 4.354 4.320 -0.666 0.000 0.249 302 K C -2.936 173.456 176.600 -0.347 0.000 0.966 302 K CA -1.528 54.470 56.287 -0.482 0.000 0.811 302 K CB 2.888 34.742 32.500 -1.077 0.000 1.223 302 K HN 0.192 nan 8.250 nan 0.000 0.438 303 P HA 0.011 nan 4.420 nan 0.000 0.263 303 P C -1.058 176.161 177.300 -0.136 0.000 1.195 303 P CA -0.215 62.808 63.100 -0.129 0.000 0.762 303 P CB 0.423 32.072 31.700 -0.085 0.000 0.799 304 C N 3.441 122.683 119.300 -0.098 0.000 2.431 304 C HA 0.544 4.604 4.460 -0.666 0.000 0.321 304 C C 1.428 176.395 174.990 -0.038 0.000 1.202 304 C CA -0.094 58.886 59.018 -0.063 0.000 1.398 304 C CB 1.164 28.879 27.740 -0.041 0.000 2.047 304 C HN 0.630 nan 8.230 nan 0.000 0.465 305 A N 3.037 125.842 122.820 -0.026 0.000 2.132 305 A HA 0.255 4.175 4.320 -0.666 0.000 0.213 305 A C 0.535 178.111 177.584 -0.012 0.000 1.154 305 A CA 0.762 52.786 52.037 -0.020 0.000 0.753 305 A CB -0.206 18.784 19.000 -0.017 0.000 0.826 305 A HN 1.022 nan 8.150 nan 0.000 0.469 306 N N -2.753 115.944 118.700 -0.005 0.000 3.046 306 N HA 0.267 4.607 4.740 -0.666 0.000 0.243 306 N C -0.858 174.657 175.510 0.010 0.000 1.452 306 N CA -0.250 52.800 53.050 0.000 0.000 0.882 306 N CB -0.023 38.464 38.487 0.001 0.000 1.425 306 N HN -0.182 nan 8.380 nan 0.000 0.517 307 D N -0.133 120.272 120.400 0.009 0.000 2.228 307 D HA -0.161 4.079 4.640 -0.666 0.000 0.203 307 D C 0.838 177.152 176.300 0.023 0.000 0.988 307 D CA 1.548 55.556 54.000 0.015 0.000 0.864 307 D CB 0.052 40.857 40.800 0.009 0.000 0.928 307 D HN 0.664 nan 8.370 nan 0.000 0.469 308 E N 0.736 120.949 120.200 0.020 0.000 2.051 308 E HA -0.165 3.785 4.350 -0.666 0.000 0.192 308 E C 1.907 178.531 176.600 0.040 0.000 0.991 308 E CA 0.885 57.300 56.400 0.025 0.000 0.799 308 E CB -0.198 29.513 29.700 0.018 0.000 0.748 308 E HN 0.447 nan 8.360 nan 0.000 0.449 309 E N 0.810 121.034 120.200 0.040 0.000 2.152 309 E HA -0.112 3.839 4.350 -0.666 0.000 0.192 309 E C 2.156 178.817 176.600 0.101 0.000 0.983 309 E CA 0.467 56.901 56.400 0.057 0.000 0.818 309 E CB -0.051 29.665 29.700 0.027 0.000 0.758 309 E HN 0.163 nan 8.360 nan 0.000 0.467 310 R N 1.108 121.661 120.500 0.087 0.000 2.092 310 R HA -0.095 3.845 4.340 -0.666 0.000 0.231 310 R C 2.382 178.756 176.300 0.124 0.000 1.119 310 R CA 1.142 57.318 56.100 0.127 0.000 0.970 310 R CB -0.141 30.202 30.300 0.072 0.000 0.864 310 R HN 0.008 nan 8.270 nan 0.000 0.440 311 K N 1.463 121.910 120.400 0.078 0.000 2.025 311 K HA -0.180 3.740 4.320 -0.666 0.000 0.207 311 K C 2.073 178.718 176.600 0.075 0.000 1.049 311 K CA 1.455 57.776 56.287 0.056 0.000 0.933 311 K CB 0.030 32.551 32.500 0.036 0.000 0.714 311 K HN -0.043 nan 8.250 nan 0.000 0.438 312 K N -0.315 120.143 120.400 0.096 0.000 2.057 312 K HA -0.222 3.698 4.320 -0.666 0.000 0.207 312 K C 2.222 178.933 176.600 0.184 0.000 1.049 312 K CA 1.470 57.822 56.287 0.109 0.000 0.931 312 K CB -0.323 32.237 32.500 0.101 0.000 0.714 312 K HN 0.192 nan 8.250 nan 0.000 0.440 313 Y N 2.180 122.529 120.300 0.083 0.000 2.181 313 Y HA -0.212 3.937 4.550 -0.670 0.000 0.288 313 Y C 2.228 178.230 175.900 0.171 0.000 1.146 313 Y CA 1.877 60.059 58.100 0.137 0.000 1.164 313 Y CB -0.388 38.125 38.460 0.089 0.000 0.982 313 Y HN 0.205 nan 8.280 nan 0.000 0.515 314 E N 0.478 120.665 120.200 -0.022 0.000 2.077 314 E HA -0.251 3.699 4.350 -0.666 0.000 0.193 314 E C 1.908 178.518 176.600 0.016 0.000 0.989 314 E CA 1.878 58.223 56.400 -0.091 0.000 0.800 314 E CB -0.231 29.441 29.700 -0.046 0.000 0.746 314 E HN 0.732 nan 8.360 nan 0.000 0.452 315 Q N 0.079 119.894 119.800 0.025 0.000 2.084 315 Q HA -0.145 3.795 4.340 -0.666 0.000 0.202 315 Q C 2.235 178.220 176.000 -0.026 0.000 0.978 315 Q CA 1.541 57.346 55.803 0.003 0.000 0.844 315 Q CB -0.109 28.630 28.738 0.002 0.000 0.898 315 Q HN 0.425 nan 8.270 nan 0.000 0.426 316 E N 0.125 120.325 120.200 -0.000 0.000 2.106 316 E HA -0.162 3.788 4.350 -0.666 0.000 0.192 316 E C 1.719 178.225 176.600 -0.157 0.000 0.984 316 E CA 0.635 56.963 56.400 -0.119 0.000 0.806 316 E CB -0.131 29.559 29.700 -0.016 0.000 0.750 316 E HN 0.237 nan 8.360 nan 0.000 0.458 317 F N 2.569 122.464 119.950 -0.091 0.000 2.102 317 F HA -0.198 3.926 4.527 -0.672 0.000 0.298 317 F C 2.144 177.900 175.800 -0.074 0.000 1.105 317 F CA 1.456 59.441 58.000 -0.025 0.000 1.239 317 F CB 0.069 38.909 39.000 -0.267 0.000 0.991 317 F HN -0.137 nan 8.300 nan 0.000 0.474 318 E N 0.138 120.268 120.200 -0.118 0.000 2.072 318 E HA -0.155 3.795 4.350 -0.666 0.000 0.191 318 E C 2.446 178.919 176.600 -0.212 0.000 0.985 318 E CA 1.570 57.850 56.400 -0.199 0.000 0.801 318 E CB -0.710 28.953 29.700 -0.061 0.000 0.750 318 E HN 0.553 nan 8.360 nan 0.000 0.452 319 S N -0.374 115.213 115.700 -0.189 0.000 2.458 319 S HA 0.058 4.129 4.470 -0.666 0.000 0.223 319 S C 1.845 176.296 174.600 -0.248 0.000 1.019 319 S CA 0.801 58.888 58.200 -0.189 0.000 0.937 319 S CB 0.496 63.600 63.200 -0.159 0.000 0.788 319 S HN 0.085 nan 8.310 nan 0.000 0.511 320 K N -0.217 119.965 120.400 -0.362 0.000 2.448 320 K HA 0.236 4.156 4.320 -0.666 0.000 0.220 320 K C 1.600 178.007 176.600 -0.321 0.000 1.259 320 K CA 0.037 56.050 56.287 -0.455 0.000 0.810 320 K CB -0.488 31.526 32.500 -0.810 0.000 1.540 320 K HN 0.350 nan 8.250 nan 0.000 0.434 321 W N 2.513 123.739 121.300 -0.123 0.000 2.318 321 W HA -0.207 4.055 4.660 -0.665 0.000 0.313 321 W C 2.320 178.695 176.519 -0.241 0.000 1.221 321 W CA 1.191 58.464 57.345 -0.120 0.000 1.266 321 W CB -0.073 29.414 29.460 0.044 0.000 1.150 321 W HN 0.241 nan 8.180 nan 0.000 0.496 322 K N 0.056 120.249 120.400 -0.345 0.000 2.001 322 K HA -0.165 3.756 4.320 -0.666 0.000 0.208 322 K C -0.718 175.784 176.600 -0.163 0.000 1.048 322 K CA 1.727 57.740 56.287 -0.456 0.000 0.932 322 K CB -1.287 30.690 32.500 -0.873 0.000 0.715 322 K HN -0.039 nan 8.250 nan 0.000 0.437 323 P HA -0.124 nan 4.420 nan 0.000 0.215 323 P C 1.453 178.760 177.300 0.012 0.000 1.157 323 P CA 1.342 64.405 63.100 -0.062 0.000 0.859 323 P CB -0.006 31.641 31.700 -0.089 0.000 0.786 324 M N -1.754 117.855 119.600 0.015 0.000 2.236 324 M HA 0.009 4.089 4.480 -0.666 0.000 0.266 324 M C 1.615 178.017 176.300 0.169 0.000 1.070 324 M CA 1.636 56.982 55.300 0.077 0.000 1.137 324 M CB -0.093 32.527 32.600 0.033 0.000 1.378 324 M HN -0.123 nan 8.290 nan 0.000 0.426 325 A N 0.128 123.061 122.820 0.189 0.000 2.051 325 A HA 0.142 4.062 4.320 -0.666 0.000 0.218 325 A C 1.740 179.501 177.584 0.296 0.000 1.575 325 A CA 0.046 52.220 52.037 0.228 0.000 0.700 325 A CB -0.844 18.235 19.000 0.132 0.000 1.245 325 A HN 0.413 nan 8.150 nan 0.000 0.536 326 L N -0.063 121.293 121.223 0.222 0.000 2.129 326 L HA -0.257 3.684 4.340 -0.666 0.000 0.212 326 L C 2.417 179.431 176.870 0.240 0.000 1.087 326 L CA 1.946 56.922 54.840 0.226 0.000 0.757 326 L CB -0.553 41.586 42.059 0.133 0.000 0.896 326 L HN 0.569 nan 8.230 nan 0.000 0.434 327 E N -0.881 119.432 120.200 0.188 0.000 2.134 327 E HA 0.020 3.970 4.350 -0.666 0.000 0.194 327 E C 2.218 178.947 176.600 0.214 0.000 0.937 327 E CA 0.633 57.144 56.400 0.185 0.000 0.874 327 E CB -0.364 29.402 29.700 0.110 0.000 0.853 327 E HN 0.376 nan 8.360 nan 0.000 0.471 328 G N 0.789 109.706 108.800 0.194 0.000 2.462 328 G HA2 -0.259 3.301 3.960 -0.666 0.000 0.220 328 G HA3 -0.259 3.301 3.960 -0.666 0.000 0.220 328 G C 1.224 176.297 174.900 0.288 0.000 1.121 328 G CA 0.696 45.919 45.100 0.206 0.000 0.758 328 G HN 0.155 nan 8.290 nan 0.000 0.559 329 F N 0.523 120.585 119.950 0.186 0.000 2.419 329 F HA 0.266 4.383 4.527 -0.684 0.000 0.283 329 F C 2.245 178.199 175.800 0.258 0.000 1.044 329 F CA 0.593 58.716 58.000 0.205 0.000 1.376 329 F CB 0.071 39.190 39.000 0.198 0.000 1.131 329 F HN 0.097 nan 8.300 nan 0.000 0.585 330 N N 0.207 119.186 118.700 0.464 0.000 2.457 330 N HA -0.122 4.218 4.740 -0.666 0.000 0.180 330 N C 1.110 176.805 175.510 0.308 0.000 1.050 330 N CA 0.456 53.762 53.050 0.427 0.000 0.906 330 N CB -0.103 38.734 38.487 0.583 0.000 0.968 330 N HN 0.169 nan 8.380 nan 0.000 0.445 331 N N 1.318 120.180 118.700 0.270 0.000 2.205 331 N HA -0.140 4.200 4.740 -0.666 0.000 0.186 331 N C 0.784 176.386 175.510 0.153 0.000 1.015 331 N CA 1.021 54.215 53.050 0.239 0.000 0.862 331 N CB -0.176 38.457 38.487 0.243 0.000 0.986 331 N HN 0.285 nan 8.380 nan 0.000 0.429 332 D N 0.685 121.114 120.400 0.049 0.000 2.219 332 D HA -0.086 4.154 4.640 -0.666 0.000 0.205 332 D C 1.015 176.864 176.300 -0.752 0.000 0.970 332 D CA 0.653 54.445 54.000 -0.347 0.000 0.851 332 D CB -0.081 40.565 40.800 -0.256 0.000 0.943 332 D HN 0.281 nan 8.370 nan 0.000 0.488 333 D N 0.487 120.715 120.400 -0.287 0.000 2.178 333 D HA -0.053 4.187 4.640 -0.666 0.000 0.202 333 D C 2.330 178.456 176.300 -0.291 0.000 0.974 333 D CA 0.258 54.101 54.000 -0.263 0.000 0.841 333 D CB 0.149 40.935 40.800 -0.022 0.000 0.953 333 D HN 0.291 nan 8.370 nan 0.000 0.478 334 I N 1.459 121.933 120.570 -0.160 0.000 2.142 334 I HA -0.226 3.544 4.170 -0.666 0.000 0.240 334 I C 2.710 178.832 176.117 0.009 0.000 1.078 334 I CA 1.019 62.296 61.300 -0.038 0.000 1.343 334 I CB -0.454 37.615 38.000 0.115 0.000 1.046 334 I HN 0.235 nan 8.210 nan 0.000 0.405 335 W N 1.484 122.792 121.300 0.014 0.000 2.595 335 W HA 0.133 4.422 4.660 -0.619 0.000 0.257 335 W C 2.190 178.700 176.519 -0.015 0.000 1.267 335 W CA 0.632 57.979 57.345 0.003 0.000 1.300 335 W CB -0.955 28.506 29.460 0.002 0.000 1.120 335 W HN 0.058 nan 8.180 nan 0.000 0.618 336 A N 2.239 124.780 122.820 -0.465 0.000 1.898 336 A HA -0.147 3.773 4.320 -0.666 0.000 0.216 336 A C 2.238 179.725 177.584 -0.162 0.000 1.181 336 A CA 1.684 53.471 52.037 -0.416 0.000 0.620 336 A CB -0.766 17.869 19.000 -0.608 0.000 0.819 336 A HN 0.286 nan 8.150 nan 0.000 0.442 337 R N -0.091 120.314 120.500 -0.159 0.000 2.073 337 R HA -0.140 3.800 4.340 -0.666 0.000 0.234 337 R C 2.089 178.385 176.300 -0.006 0.000 1.134 337 R CA 1.655 57.693 56.100 -0.103 0.000 0.952 337 R CB -0.424 29.828 30.300 -0.081 0.000 0.850 337 R HN 0.667 nan 8.270 nan 0.000 0.433 338 E N 0.631 120.863 120.200 0.054 0.000 2.160 338 E HA -0.176 3.774 4.350 -0.666 0.000 0.195 338 E C 1.962 178.621 176.600 0.098 0.000 0.991 338 E CA 1.099 57.556 56.400 0.095 0.000 0.810 338 E CB -0.118 29.662 29.700 0.133 0.000 0.742 338 E HN 0.389 nan 8.360 nan 0.000 0.466 339 A N 0.690 123.579 122.820 0.115 0.000 2.067 339 A HA -0.089 3.831 4.320 -0.666 0.000 0.219 339 A C 1.997 179.627 177.584 0.077 0.000 1.158 339 A CA 0.963 53.067 52.037 0.113 0.000 0.661 339 A CB -0.248 18.850 19.000 0.164 0.000 0.801 339 A HN 0.151 nan 8.150 nan 0.000 0.452 340 M N -0.913 118.727 119.600 0.067 0.000 2.502 340 M HA 0.004 4.084 4.480 -0.666 0.000 0.243 340 M C 1.667 178.075 176.300 0.180 0.000 1.130 340 M CA 0.178 55.552 55.300 0.124 0.000 1.055 340 M CB 0.107 32.756 32.600 0.081 0.000 1.457 340 M HN 0.232 nan 8.290 nan 0.000 0.488 341 V N 0.908 120.888 119.914 0.111 0.000 2.252 341 V HA -0.326 3.394 4.120 -0.666 0.000 0.249 341 V C 1.768 177.931 176.094 0.114 0.000 1.056 341 V CA 2.084 64.448 62.300 0.106 0.000 1.022 341 V CB -0.633 31.238 31.823 0.080 0.000 0.641 341 V HN 0.432 nan 8.190 nan 0.000 0.445 342 D N -0.639 119.822 120.400 0.100 0.000 2.104 342 D HA -0.191 4.049 4.640 -0.666 0.000 0.194 342 D C 1.900 178.253 176.300 0.089 0.000 0.994 342 D CA 1.341 55.390 54.000 0.082 0.000 0.830 342 D CB -0.399 40.442 40.800 0.068 0.000 0.959 342 D HN 0.439 nan 8.370 nan 0.000 0.452 343 F N 0.138 120.023 119.950 -0.107 0.000 2.216 343 F HA -0.196 3.926 4.527 -0.674 0.000 0.300 343 F C 1.607 177.132 175.800 -0.458 0.000 1.085 343 F CA 1.183 59.010 58.000 -0.289 0.000 1.326 343 F CB -0.288 38.483 39.000 -0.382 0.000 1.027 343 F HN -0.021 nan 8.300 nan 0.000 0.497 344 Y N -1.119 119.060 120.300 -0.202 0.000 2.449 344 Y HA 0.367 4.530 4.550 -0.645 0.000 0.254 344 Y C 2.169 177.977 175.900 -0.153 0.000 1.140 344 Y CA 0.330 58.200 58.100 -0.384 0.000 1.272 344 Y CB -0.742 37.401 38.460 -0.529 0.000 1.114 344 Y HN 0.054 nan 8.280 nan 0.000 0.525 345 A N 0.672 123.514 122.820 0.037 0.000 1.978 345 A HA -0.233 3.688 4.320 -0.666 0.000 0.220 345 A C 1.423 179.033 177.584 0.043 0.000 1.170 345 A CA 2.208 54.279 52.037 0.056 0.000 0.636 345 A CB -0.607 18.420 19.000 0.045 0.000 0.810 345 A HN 0.507 nan 8.150 nan 0.000 0.448 346 D N -2.531 117.866 120.400 -0.006 0.000 2.342 346 D HA 0.154 4.394 4.640 -0.666 0.000 0.221 346 D C 0.006 176.319 176.300 0.021 0.000 1.101 346 D CA 0.454 54.453 54.000 -0.001 0.000 0.837 346 D CB -0.049 40.731 40.800 -0.033 0.000 0.938 346 D HN 0.336 nan 8.370 nan 0.000 0.508 347 D N -0.139 120.306 120.400 0.075 0.000 2.837 347 D HA -0.177 4.063 4.640 -0.666 0.000 0.195 347 D C 1.222 177.592 176.300 0.117 0.000 1.033 347 D CA 0.982 55.129 54.000 0.245 0.000 1.021 347 D CB -0.656 40.279 40.800 0.225 0.000 1.101 347 D HN 0.275 nan 8.370 nan 0.000 0.431 348 K N 0.392 120.719 120.400 -0.120 0.000 2.211 348 K HA 0.027 3.948 4.320 -0.666 0.000 0.203 348 K C 2.200 178.481 176.600 -0.531 0.000 1.050 348 K CA 1.243 57.392 56.287 -0.230 0.000 0.945 348 K CB -0.555 31.808 32.500 -0.229 0.000 0.732 348 K HN 0.418 nan 8.250 nan 0.000 0.451 349 G N 0.001 108.173 108.800 -1.047 0.000 2.448 349 G HA2 -0.220 3.341 3.960 -0.666 0.000 0.219 349 G HA3 -0.220 3.341 3.960 -0.666 0.000 0.219 349 G C 1.129 175.517 174.900 -0.854 0.000 1.127 349 G CA 0.201 44.128 45.100 -1.954 0.000 0.766 349 G HN 0.354 nan 8.290 nan 0.000 0.552 350 W N -0.341 120.903 121.300 -0.092 0.000 2.611 350 W HA 0.176 4.426 4.660 -0.684 0.000 0.251 350 W C 2.024 178.631 176.519 0.147 0.000 1.265 350 W CA -0.084 57.401 57.345 0.234 0.000 1.295 350 W CB 0.143 29.747 29.460 0.240 0.000 1.129 350 W HN 0.039 nan 8.180 nan 0.000 0.630 351 V N -0.702 119.302 119.914 0.151 0.000 3.151 351 V HA -0.035 3.685 4.120 -0.666 0.000 0.241 351 V C 1.612 177.745 176.094 0.065 0.000 1.173 351 V CA 0.880 63.246 62.300 0.110 0.000 1.154 351 V CB -0.207 31.645 31.823 0.050 0.000 0.898 351 V HN 0.040 nan 8.190 nan 0.000 0.473 352 N N 1.055 119.733 118.700 -0.037 0.000 2.422 352 N HA -0.004 4.336 4.740 -0.666 0.000 0.181 352 N C 0.741 176.385 175.510 0.223 0.000 1.080 352 N CA 0.073 53.158 53.050 0.059 0.000 0.893 352 N CB 0.069 38.572 38.487 0.026 0.000 0.973 352 N HN 0.753 nan 8.380 nan 0.000 0.456 353 E N 1.076 121.422 120.200 0.243 0.000 2.452 353 E HA 0.040 3.990 4.350 -0.666 0.000 0.261 353 E C -0.344 176.380 176.600 0.206 0.000 0.987 353 E CA 0.351 56.947 56.400 0.328 0.000 0.926 353 E CB 0.703 30.615 29.700 0.354 0.000 0.934 353 E HN 0.127 nan 8.360 nan 0.000 0.452 354 I N 4.395 125.043 120.570 0.130 0.000 2.371 354 I HA 0.168 3.938 4.170 -0.666 0.000 0.282 354 I C -0.129 176.046 176.117 0.096 0.000 1.031 354 I CA -0.615 60.742 61.300 0.095 0.000 1.180 354 I CB 0.452 38.472 38.000 0.034 0.000 1.336 354 I HN 0.406 nan 8.210 nan 0.000 0.467 355 L N 5.955 127.274 121.223 0.160 0.000 2.439 355 L HA 0.503 4.443 4.340 -0.666 0.000 0.261 355 L C -0.134 176.908 176.870 0.288 0.000 1.153 355 L CA -0.571 54.401 54.840 0.219 0.000 0.808 355 L CB 0.595 42.783 42.059 0.216 0.000 1.126 355 L HN 0.425 nan 8.230 nan 0.000 0.460 356 F N -1.208 118.759 119.950 0.027 0.000 2.679 356 F HA 0.548 4.668 4.527 -0.677 0.000 0.341 356 F C 1.001 176.810 175.800 0.016 0.000 1.095 356 F CA -1.630 56.380 58.000 0.017 0.000 1.004 356 F CB 0.303 39.303 39.000 0.000 0.000 1.388 356 F HN 0.368 nan 8.300 nan 0.000 0.505 357 E N 0.818 120.919 120.200 -0.165 0.000 2.095 357 E HA -0.226 3.724 4.350 -0.666 0.000 0.212 357 E C 2.140 178.520 176.600 -0.367 0.000 1.044 357 E CA 3.393 59.636 56.400 -0.263 0.000 0.857 357 E CB -0.677 28.894 29.700 -0.216 0.000 0.764 357 E HN 0.686 nan 8.360 nan 0.000 0.462 358 S N 0.545 115.836 115.700 -0.682 0.000 2.469 358 S HA -0.151 3.919 4.470 -0.666 0.000 0.238 358 S C 1.098 175.536 174.600 -0.270 0.000 0.998 358 S CA 1.141 59.072 58.200 -0.448 0.000 0.957 358 S CB -0.161 62.759 63.200 -0.467 0.000 0.764 358 S HN 0.120 nan 8.310 nan 0.000 0.514 359 D N 1.364 121.649 120.400 -0.191 0.000 2.378 359 D HA 0.020 4.260 4.640 -0.666 0.000 0.227 359 D C 1.625 177.895 176.300 -0.050 0.000 1.012 359 D CA 0.510 54.485 54.000 -0.042 0.000 0.905 359 D CB -0.188 40.665 40.800 0.089 0.000 0.895 359 D HN 0.515 nan 8.370 nan 0.000 0.532 360 E N 1.193 121.348 120.200 -0.075 0.000 2.160 360 E HA -0.138 3.812 4.350 -0.666 0.000 0.195 360 E C 1.943 178.528 176.600 -0.026 0.000 0.991 360 E CA 1.137 57.513 56.400 -0.040 0.000 0.810 360 E CB -0.138 29.533 29.700 -0.048 0.000 0.742 360 E HN 0.203 nan 8.360 nan 0.000 0.466 361 A N 0.270 123.048 122.820 -0.071 0.000 1.902 361 A HA -0.132 3.788 4.320 -0.666 0.000 0.217 361 A C 2.296 179.987 177.584 0.178 0.000 1.181 361 A CA 1.412 53.434 52.037 -0.024 0.000 0.623 361 A CB -0.607 18.144 19.000 -0.416 0.000 0.818 361 A HN 0.331 nan 8.150 nan 0.000 0.443 362 I N -0.476 120.134 120.570 0.067 0.000 2.252 362 I HA -0.198 3.572 4.170 -0.666 0.000 0.245 362 I C 2.322 178.416 176.117 -0.039 0.000 1.102 362 I CA 0.991 62.358 61.300 0.111 0.000 1.385 362 I CB -0.313 37.699 38.000 0.020 0.000 1.064 362 I HN 0.144 nan 8.210 nan 0.000 0.414 363 V N 1.153 120.981 119.914 -0.143 0.000 2.343 363 V HA -0.312 3.408 4.120 -0.666 0.000 0.247 363 V C 2.754 178.746 176.094 -0.171 0.000 1.051 363 V CA 2.025 64.142 62.300 -0.305 0.000 1.036 363 V CB -1.015 30.729 31.823 -0.132 0.000 0.654 363 V HN 0.499 nan 8.190 nan 0.000 0.451 364 A N 0.105 122.913 122.820 -0.020 0.000 1.908 364 A HA -0.287 3.633 4.320 -0.666 0.000 0.218 364 A C 2.175 179.745 177.584 -0.022 0.000 1.181 364 A CA 2.027 54.074 52.037 0.018 0.000 0.627 364 A CB -0.871 18.180 19.000 0.085 0.000 0.818 364 A HN 0.823 nan 8.150 nan 0.000 0.445 365 W N 0.907 122.108 121.300 -0.165 0.000 2.355 365 W HA -0.192 4.124 4.660 -0.572 0.000 0.309 365 W C 2.062 178.357 176.519 -0.373 0.000 1.206 365 W CA 1.627 58.803 57.345 -0.282 0.000 1.284 365 W CB -0.371 28.902 29.460 -0.310 0.000 1.145 365 W HN 0.312 nan 8.180 nan 0.000 0.502 366 R N 0.527 120.476 120.500 -0.917 0.000 2.105 366 R HA -0.153 3.787 4.340 -0.666 0.000 0.239 366 R C 2.392 178.304 176.300 -0.647 0.000 1.135 366 R CA 1.950 57.275 56.100 -1.292 0.000 0.967 366 R CB -0.354 29.182 30.300 -1.274 0.000 0.861 366 R HN 0.201 nan 8.270 nan 0.000 0.442 367 K N 0.455 120.663 120.400 -0.321 0.000 2.062 367 K HA -0.099 3.821 4.320 -0.666 0.000 0.205 367 K C 2.137 178.643 176.600 -0.157 0.000 1.051 367 K CA 0.831 57.058 56.287 -0.100 0.000 0.941 367 K CB -0.187 32.323 32.500 0.017 0.000 0.719 367 K HN 0.059 nan 8.250 nan 0.000 0.440 368 L N 1.183 122.289 121.223 -0.196 0.000 2.017 368 L HA -0.170 3.770 4.340 -0.666 0.000 0.208 368 L C 2.299 179.053 176.870 -0.194 0.000 1.073 368 L CA 1.792 56.578 54.840 -0.090 0.000 0.745 368 L CB -0.427 41.584 42.059 -0.080 0.000 0.894 368 L HN 0.112 nan 8.230 nan 0.000 0.432 369 A N -1.304 121.198 122.820 -0.530 0.000 1.933 369 A HA -0.185 3.735 4.320 -0.666 0.000 0.218 369 A C 2.379 179.778 177.584 -0.307 0.000 1.175 369 A CA 2.001 53.714 52.037 -0.540 0.000 0.628 369 A CB -0.926 17.540 19.000 -0.891 0.000 0.814 369 A HN 0.546 nan 8.150 nan 0.000 0.444 370 S N -0.376 115.212 115.700 -0.187 0.000 2.383 370 S HA -0.132 3.938 4.470 -0.666 0.000 0.227 370 S C 1.773 176.293 174.600 -0.132 0.000 1.026 370 S CA 1.539 59.709 58.200 -0.050 0.000 0.981 370 S CB -0.208 63.011 63.200 0.031 0.000 0.818 370 S HN 0.735 nan 8.310 nan 0.000 0.472 371 E N -0.323 119.752 120.200 -0.208 0.000 2.250 371 E HA 0.026 3.976 4.350 -0.666 0.000 0.192 371 E C 0.930 177.219 176.600 -0.518 0.000 0.986 371 E CA 0.592 56.780 56.400 -0.353 0.000 0.849 371 E CB 0.103 29.540 29.700 -0.438 0.000 0.797 371 E HN 0.529 nan 8.360 nan 0.000 0.482 372 H N 0.322 119.312 119.070 -0.134 0.000 2.672 372 H HA 0.110 4.265 4.556 -0.669 0.000 0.277 372 H C -0.051 175.198 175.328 -0.132 0.000 1.074 372 H CA -0.194 55.794 56.048 -0.101 0.000 1.173 372 H CB -0.030 29.699 29.762 -0.054 0.000 1.558 372 H HN 0.189 nan 8.280 nan 0.000 0.539 373 N N 0.720 119.274 118.700 -0.243 0.000 2.415 373 N HA -0.064 4.276 4.740 -0.666 0.000 0.248 373 N C 0.720 176.197 175.510 -0.054 0.000 1.271 373 N CA -0.045 52.777 53.050 -0.380 0.000 0.913 373 N CB 0.890 38.536 38.487 -1.402 0.000 1.129 373 N HN -0.161 nan 8.380 nan 0.000 0.444 374 Q N -0.232 119.659 119.800 0.151 0.000 2.246 374 Q HA 0.288 4.228 4.340 -0.666 0.000 0.202 374 Q C -0.095 175.913 176.000 0.013 0.000 0.883 374 Q CA 0.152 55.934 55.803 -0.035 0.000 0.952 374 Q CB 0.227 28.770 28.738 -0.325 0.000 1.078 374 Q HN 0.849 nan 8.270 nan 0.000 0.493 375 G N 0.404 109.257 108.800 0.089 0.000 2.343 375 G HA2 0.117 3.678 3.960 -0.666 0.000 0.298 375 G HA3 0.117 3.678 3.960 -0.666 0.000 0.298 375 G C -1.426 173.614 174.900 0.233 0.000 1.644 375 G CA -0.934 44.235 45.100 0.115 0.000 0.958 375 G HN -0.002 nan 8.290 nan 0.000 0.702 376 I N 1.595 122.278 120.570 0.189 0.000 2.304 376 I HA 0.320 4.090 4.170 -0.666 0.000 0.291 376 I C 0.644 176.793 176.117 0.054 0.000 1.018 376 I CA -0.723 60.697 61.300 0.199 0.000 1.260 376 I CB 1.178 39.286 38.000 0.181 0.000 1.390 376 I HN 0.686 nan 8.210 nan 0.000 0.475 377 Q N 5.455 125.238 119.800 -0.028 0.000 2.332 377 Q HA 0.297 4.237 4.340 -0.666 0.000 0.263 377 Q C -0.098 175.925 176.000 0.037 0.000 0.979 377 Q CA 0.132 55.847 55.803 -0.147 0.000 0.885 377 Q CB 0.826 29.466 28.738 -0.163 0.000 1.218 377 Q HN 0.823 nan 8.270 nan 0.000 0.405 378 T N 0.379 115.072 114.554 0.232 0.000 2.916 378 T HA 0.267 4.217 4.350 -0.666 0.000 0.292 378 T C 0.507 175.315 174.700 0.181 0.000 1.064 378 T CA -0.780 61.456 62.100 0.226 0.000 1.011 378 T CB 1.435 70.456 68.868 0.255 0.000 1.152 378 T HN 0.545 nan 8.240 nan 0.000 0.510 379 Q N 0.802 120.665 119.800 0.104 0.000 2.226 379 Q HA 0.087 4.028 4.340 -0.666 0.000 0.204 379 Q C 2.210 178.252 176.000 0.068 0.000 0.975 379 Q CA 2.172 58.019 55.803 0.073 0.000 0.866 379 Q CB -1.000 27.768 28.738 0.049 0.000 0.915 379 Q HN 0.896 nan 8.270 nan 0.000 0.440 380 A N -1.016 121.837 122.820 0.055 0.000 1.969 380 A HA -0.180 3.740 4.320 -0.666 0.000 0.218 380 A C 1.622 179.197 177.584 -0.015 0.000 1.169 380 A CA 1.553 53.589 52.037 -0.003 0.000 0.635 380 A CB -0.746 18.227 19.000 -0.046 0.000 0.810 380 A HN 0.584 nan 8.150 nan 0.000 0.445 381 H N -1.087 118.007 119.070 0.040 0.000 2.387 381 H HA -0.057 4.101 4.556 -0.664 0.000 0.299 381 H C 2.045 177.397 175.328 0.041 0.000 1.090 381 H CA 1.663 57.739 56.048 0.046 0.000 1.332 381 H CB 0.013 29.801 29.762 0.043 0.000 1.386 381 H HN 0.270 nan 8.280 nan 0.000 0.516 382 V N 0.096 120.100 119.914 0.150 0.000 2.307 382 V HA -0.233 3.487 4.120 -0.666 0.000 0.245 382 V C 2.389 178.518 176.094 0.058 0.000 1.045 382 V CA 1.984 64.337 62.300 0.089 0.000 1.024 382 V CB -0.459 31.400 31.823 0.061 0.000 0.651 382 V HN 0.601 nan 8.190 nan 0.000 0.449 383 S N -0.606 115.118 115.700 0.040 0.000 2.421 383 S HA 0.377 4.447 4.470 -0.666 0.000 0.224 383 S C 1.043 175.645 174.600 0.004 0.000 1.035 383 S CA 0.600 58.811 58.200 0.017 0.000 0.953 383 S CB 0.601 63.805 63.200 0.008 0.000 0.810 383 S HN 1.184 nan 8.310 nan 0.000 0.497 384 G N 0.920 109.718 108.800 -0.003 0.000 2.177 384 G HA2 0.241 3.802 3.960 -0.666 0.000 0.202 384 G HA3 0.241 3.802 3.960 -0.666 0.000 0.202 384 G C -0.903 173.965 174.900 -0.054 0.000 1.581 384 G CA -1.090 43.997 45.100 -0.022 0.000 0.983 384 G HN 0.342 nan 8.290 nan 0.000 0.689 385 L N 1.297 122.484 121.223 -0.060 0.000 2.573 385 L HA 0.164 4.104 4.340 -0.666 0.000 0.290 385 L C 0.730 177.539 176.870 -0.103 0.000 1.247 385 L CA 0.682 55.481 54.840 -0.068 0.000 0.876 385 L CB 0.321 42.380 42.059 -0.000 0.000 1.123 385 L HN 0.583 nan 8.230 nan 0.000 0.505 386 E N 3.463 123.615 120.200 -0.080 0.000 2.222 386 E HA 0.567 4.518 4.350 -0.666 0.000 0.267 386 E C -1.070 175.462 176.600 -0.112 0.000 0.884 386 E CA -0.745 55.536 56.400 -0.198 0.000 0.764 386 E CB 2.029 31.672 29.700 -0.093 0.000 1.169 386 E HN 0.611 nan 8.360 nan 0.000 0.413 387 H N 0.491 119.461 119.070 -0.168 0.000 2.969 387 H HA 0.351 4.507 4.556 -0.667 0.000 0.304 387 H C -1.398 173.683 175.328 -0.411 0.000 1.400 387 H CA -0.907 55.060 56.048 -0.136 0.000 1.182 387 H CB 1.010 30.749 29.762 -0.039 0.000 1.865 387 H HN 0.597 nan 8.280 nan 0.000 0.512 388 H N 0.305 119.354 119.070 -0.036 0.000 3.177 388 H HA 0.212 4.368 4.556 -0.667 0.000 0.314 388 H C -0.014 175.108 175.328 -0.343 0.000 1.059 388 H CA -0.395 55.523 56.048 -0.217 0.000 1.515 388 H CB 0.663 30.266 29.762 -0.266 0.000 1.672 388 H HN 0.723 nan 8.280 nan 0.000 0.514 389 H N 2.285 121.289 119.070 -0.111 0.000 2.568 389 H HA -0.090 4.066 4.556 -0.667 0.000 0.281 389 H C 0.066 175.376 175.328 -0.029 0.000 1.028 389 H CA 0.356 56.355 56.048 -0.081 0.000 1.199 389 H CB -0.221 29.537 29.762 -0.007 0.000 1.352 389 H HN 0.787 nan 8.280 nan 0.000 0.605 390 H N 0.000 119.194 119.070 0.207 0.000 2.539 390 H HA 0.000 4.156 4.556 -0.667 0.000 0.296 390 H CA 0.000 56.121 56.048 0.122 0.000 1.023 390 H CB 0.000 29.815 29.762 0.089 0.000 1.292 390 H HN 0.000 nan 8.280 nan 0.000 0.496