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 3ixv_1_K DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.655 174.700 -0.076 0.000 1.109 1 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 1 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 2 V N 2.634 122.495 119.914 -0.088 0.000 2.343 2 V HA -0.169 nan 4.120 nan 0.000 0.247 2 V C 1.167 177.197 176.094 -0.106 0.000 1.051 2 V CA 3.282 65.508 62.300 -0.122 0.000 1.036 2 V CB -0.317 31.437 31.823 -0.115 0.000 0.654 2 V HN 0.564 8.711 8.190 -0.073 0.000 0.451 3 A N -1.109 121.669 122.820 -0.071 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.061 178.625 177.584 -0.034 0.000 1.181 3 A CA 3.360 55.365 52.037 -0.052 0.000 0.623 3 A CB -0.931 18.049 19.000 -0.033 0.000 0.818 3 A HN -0.015 8.097 8.150 -0.063 0.000 0.443 4 D N -2.342 118.041 120.400 -0.028 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.220 178.522 176.300 0.004 0.000 0.987 4 D CA 3.188 57.188 54.000 -0.001 0.000 0.829 4 D CB -0.263 40.541 40.800 0.007 0.000 0.961 4 D HN 0.018 8.236 8.370 -0.039 0.128 0.460 5 K N -0.254 120.111 120.400 -0.057 0.000 2.057 5 K HA -0.382 nan 4.320 nan 0.000 0.207 5 K C 2.454 179.035 176.600 -0.033 0.000 1.049 5 K CA 3.032 59.253 56.287 -0.110 0.000 0.931 5 K CB -0.067 32.219 32.500 -0.357 0.000 0.714 5 K HN -0.546 7.554 8.250 -0.085 0.098 0.440 6 Q N -1.854 117.914 119.800 -0.053 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.438 178.470 176.000 0.054 0.000 0.978 6 Q CA 2.951 58.739 55.803 -0.024 0.000 0.844 6 Q CB -0.266 28.434 28.738 -0.065 0.000 0.898 6 Q HN -0.003 8.114 8.270 -0.077 0.106 0.426 7 A N -1.103 121.751 122.820 0.057 0.000 1.902 7 A HA -0.272 nan 4.320 nan 0.000 0.217 7 A C 1.266 178.935 177.584 0.141 0.000 1.181 7 A CA 2.709 54.801 52.037 0.091 0.000 0.623 7 A CB -0.712 18.331 19.000 0.071 0.000 0.818 7 A HN -0.274 7.796 8.150 0.028 0.097 0.443 8 R N -3.158 117.439 120.500 0.163 0.000 2.096 8 R HA -0.256 nan 4.340 nan 0.000 0.235 8 R C 2.597 179.058 176.300 0.268 0.000 1.127 8 R CA 2.629 58.859 56.100 0.216 0.000 0.968 8 R CB 0.077 30.547 30.300 0.283 0.000 0.861 8 R HN -0.477 7.787 8.270 0.136 0.087 0.440 9 L N -1.024 120.387 121.223 0.312 0.000 2.083 9 L HA -0.297 nan 4.340 nan 0.000 0.209 9 L C 2.666 179.807 176.870 0.451 0.000 1.083 9 L CA 2.974 58.053 54.840 0.399 0.000 0.752 9 L CB -0.396 41.899 42.059 0.394 0.000 0.899 9 L HN -0.228 8.084 8.230 0.266 0.078 0.433 10 M N -1.106 118.700 119.600 0.342 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.747 175.806 176.300 0.421 0.000 1.067 10 M CA 5.826 61.368 55.300 0.404 0.000 1.116 10 M CB -2.368 30.420 32.600 0.313 0.000 1.348 10 M HN -0.270 8.170 8.290 0.250 0.000 0.407 11 P HA -0.161 nan 4.420 nan 0.000 0.225 11 P C 0.493 177.900 177.300 0.179 0.000 1.148 11 P CA 2.319 65.552 63.100 0.221 0.000 0.779 11 P CB -0.817 30.975 31.700 0.154 0.000 0.780 12 L N -3.154 118.175 121.223 0.178 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.913 178.753 176.870 -0.050 0.000 1.083 12 L CA 2.663 57.517 54.840 0.024 0.000 0.752 12 L CB -0.281 41.755 42.059 -0.038 0.000 0.899 12 L HN -0.253 7.969 8.230 0.263 0.165 0.433 13 F N -4.809 115.303 119.950 0.269 0.000 2.558 13 F HA -0.219 nan 4.527 nan 0.000 0.298 13 F C 0.068 175.970 175.800 0.170 0.000 1.119 13 F CA 1.574 59.730 58.000 0.260 0.000 1.451 13 F CB -0.169 38.989 39.000 0.265 0.000 1.091 13 F HN -0.755 7.671 8.300 0.395 0.111 0.563 14 K N -2.110 118.453 120.400 0.272 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.121 176.582 176.600 0.172 0.000 1.005 14 K CA -0.377 56.019 56.287 0.182 0.000 0.932 14 K CB 0.576 33.217 32.500 0.235 0.000 1.021 14 K HN -0.999 7.222 8.250 0.258 0.184 0.462 15 H N -0.457 118.626 119.070 0.022 0.000 2.692 15 H HA -0.345 nan 4.556 nan 0.000 0.316 15 H C 0.737 176.055 175.328 -0.017 0.000 1.176 15 H CA 1.057 57.107 56.048 0.002 0.000 1.142 15 H CB -1.903 27.863 29.762 0.006 0.000 1.475 15 H HN 0.839 8.997 8.280 -0.203 0.000 0.423 16 L N -2.527 118.723 121.223 0.045 0.000 2.083 16 L HA -0.329 nan 4.340 nan 0.000 0.209 16 L C 1.655 178.558 176.870 0.056 0.000 1.083 16 L CA 2.916 57.778 54.840 0.036 0.000 0.752 16 L CB -1.106 41.031 42.059 0.130 0.000 0.899 16 L HN 0.241 8.465 8.230 -0.010 0.000 0.433 17 T N -0.961 113.645 114.554 0.088 0.000 2.708 17 T HA -0.311 nan 4.350 nan 0.000 0.266 17 T C 2.157 176.893 174.700 0.061 0.000 1.037 17 T CA 3.969 66.127 62.100 0.098 0.000 1.146 17 T CB -0.711 68.219 68.868 0.102 0.000 0.865 17 T HN 0.192 8.461 8.240 0.068 0.011 0.435 18 A N 1.224 124.086 122.820 0.070 0.000 1.969 18 A HA -0.095 nan 4.320 nan 0.000 0.218 18 A C 1.230 178.816 177.584 0.005 0.000 1.169 18 A CA 1.958 54.024 52.037 0.048 0.000 0.635 18 A CB -0.858 18.192 19.000 0.082 0.000 0.810 18 A HN -0.165 8.028 8.150 0.100 0.016 0.445 19 L N -3.320 117.897 121.223 -0.010 0.000 2.349 19 L HA -0.209 nan 4.340 nan 0.000 0.220 19 L C 0.628 177.450 176.870 -0.081 0.000 1.130 19 L CA 1.232 56.030 54.840 -0.070 0.000 0.791 19 L CB -0.161 41.810 42.059 -0.146 0.000 0.918 19 L HN -0.331 7.763 8.230 0.016 0.145 0.444 20 T N -0.690 113.833 114.554 -0.051 0.000 2.905 20 T HA -0.196 nan 4.350 nan 0.000 0.400 20 T C -0.932 173.743 174.700 -0.042 0.000 1.098 20 T CA 0.215 62.288 62.100 -0.045 0.000 1.095 20 T CB 0.170 69.029 68.868 -0.016 0.000 1.281 20 T HN -0.818 7.360 8.240 -0.029 0.045 0.515 21 R N 1.246 121.727 120.500 -0.031 0.000 2.080 21 R HA -0.283 nan 4.340 nan 0.000 0.362 21 R C -1.051 175.222 176.300 -0.044 0.000 1.156 21 R CA 1.084 57.165 56.100 -0.032 0.000 0.964 21 R CB -0.301 29.980 30.300 -0.032 0.000 2.865 21 R HN 0.186 8.443 8.270 -0.022 0.000 0.490 22 E N 4.989 125.165 120.200 -0.040 0.000 2.051 22 E HA -0.257 nan 4.350 nan 0.000 0.192 22 E C -0.695 175.876 176.600 -0.048 0.000 0.991 22 E CA 1.054 57.426 56.400 -0.047 0.000 0.799 22 E CB -0.227 29.452 29.700 -0.035 0.000 0.748 22 E HN 0.196 8.537 8.360 -0.031 0.000 0.449 23 K N -3.456 116.922 120.400 -0.038 0.000 3.088 23 K HA -0.272 nan 4.320 nan 0.000 0.273 23 K C -1.677 174.903 176.600 -0.033 0.000 1.111 23 K CA 0.310 56.575 56.287 -0.035 0.000 0.803 23 K CB -1.270 31.205 32.500 -0.042 0.000 1.226 23 K HN -0.273 7.957 8.250 -0.032 0.000 0.485 24 L N -1.306 119.899 121.223 -0.030 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.516 175.344 176.870 -0.017 0.000 1.004 24 L CA -3.360 51.465 54.840 -0.025 0.000 0.820 24 L CB 1.022 43.064 42.059 -0.029 0.000 1.247 24 L HN -0.396 7.805 8.230 -0.029 0.012 0.416 25 P HA 0.026 nan 4.420 nan 0.000 0.217 25 P C -1.434 175.862 177.300 -0.007 0.000 1.151 25 P CA 1.315 64.410 63.100 -0.008 0.000 0.828 25 P CB 0.410 32.106 31.700 -0.006 0.000 0.788 26 L N -2.225 118.995 121.223 -0.006 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.593 176.275 176.870 -0.004 0.000 0.926 26 L CA -0.813 54.025 54.840 -0.004 0.000 0.885 26 L CB 2.582 44.640 42.059 -0.002 0.000 1.380 26 L HN -0.790 7.437 8.230 -0.006 0.000 0.415 27 D N 0.885 121.282 120.400 -0.005 0.000 2.277 27 D HA -0.213 nan 4.640 nan 0.000 0.208 27 D C 0.944 177.244 176.300 -0.000 0.000 0.962 27 D CA 2.241 56.238 54.000 -0.005 0.000 0.865 27 D CB 0.042 40.838 40.800 -0.006 0.000 0.939 27 D HN 0.291 8.658 8.370 -0.005 0.000 0.510 28 Q N -0.752 119.049 119.800 0.000 0.000 2.135 28 Q HA -0.277 nan 4.340 nan 0.000 0.204 28 Q C 0.927 176.929 176.000 0.004 0.000 0.981 28 Q CA 1.888 57.693 55.803 0.002 0.000 0.856 28 Q CB -1.147 27.592 28.738 0.002 0.000 0.902 28 Q HN 0.115 8.357 8.270 -0.001 0.027 0.425 29 R N -2.198 118.305 120.500 0.005 0.000 2.091 29 R HA -0.127 nan 4.340 nan 0.000 0.238 29 R C 0.011 176.318 176.300 0.012 0.000 1.136 29 R CA 1.811 57.916 56.100 0.009 0.000 0.959 29 R CB -0.329 29.978 30.300 0.013 0.000 0.856 29 R HN 0.062 8.334 8.270 0.004 -0.000 0.437 30 D N 0.387 120.794 120.400 0.012 0.000 2.470 30 D HA 0.095 nan 4.640 nan 0.000 0.226 30 D C -0.771 175.533 176.300 0.008 0.000 1.196 30 D CA 0.438 54.446 54.000 0.014 0.000 0.979 30 D CB -1.351 39.454 40.800 0.008 0.000 1.059 30 D HN -0.345 7.913 8.370 0.008 0.117 0.515 31 E N 2.883 123.088 120.200 0.009 0.000 2.106 31 E HA -0.316 nan 4.350 nan 0.000 0.192 31 E C 2.177 178.781 176.600 0.007 0.000 0.984 31 E CA 3.162 59.566 56.400 0.007 0.000 0.806 31 E CB 0.086 29.790 29.700 0.007 0.000 0.750 31 E HN -0.075 8.244 8.360 0.010 0.047 0.458 32 R N -0.768 119.737 120.500 0.009 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.332 178.635 176.300 0.005 0.000 1.131 32 R CA 2.702 58.808 56.100 0.009 0.000 0.960 32 R CB -0.499 29.808 30.300 0.011 0.000 0.856 32 R HN 0.256 8.516 8.270 0.011 0.017 0.436 33 L N -4.255 116.968 121.223 0.001 0.000 2.465 33 L HA -0.154 nan 4.340 nan 0.000 0.224 33 L C 1.044 177.912 176.870 -0.003 0.000 1.145 33 L CA 1.846 56.683 54.840 -0.005 0.000 0.834 33 L CB -1.177 40.876 42.059 -0.011 0.000 0.944 33 L HN -0.070 8.024 8.230 0.003 0.139 0.451 34 K N 0.165 120.565 120.400 0.001 0.000 2.074 34 K HA -0.310 nan 4.320 nan 0.000 0.209 34 K C 1.819 178.421 176.600 0.002 0.000 1.048 34 K CA 2.791 59.079 56.287 0.001 0.000 0.926 34 K CB -1.190 31.312 32.500 0.003 0.000 0.713 34 K HN -0.237 7.826 8.250 0.003 0.188 0.444 35 G N -2.058 106.744 108.800 0.003 0.000 2.535 35 G HA2 -0.171 nan 3.960 nan 0.000 0.218 35 G HA3 -0.171 nan 3.960 nan 0.000 0.218 35 G C -0.815 174.086 174.900 0.003 0.000 1.122 35 G CA 0.261 45.364 45.100 0.004 0.000 0.769 35 G HN 0.104 8.371 8.290 0.004 0.025 0.549 36 V N -2.252 117.662 119.914 0.000 0.000 3.074 36 V HA 0.288 nan 4.120 nan 0.000 0.314 36 V C -1.350 174.745 176.094 0.002 0.000 1.117 36 V CA -1.434 60.867 62.300 0.001 0.000 1.014 36 V CB 2.478 34.299 31.823 -0.004 0.000 1.057 36 V HN -0.539 7.480 8.190 -0.001 0.170 0.438 37 G N 3.241 112.046 108.800 0.008 0.000 2.189 37 G HA2 -0.242 nan 3.960 nan 0.000 0.113 37 G HA3 -0.242 nan 3.960 nan 0.000 0.113 37 G C -0.771 174.136 174.900 0.011 0.000 1.038 37 G CA 0.422 45.527 45.100 0.009 0.000 0.704 37 G HN 0.409 8.707 8.290 0.014 0.000 0.490 38 I N -1.902 118.676 120.570 0.013 0.000 2.927 38 I HA 0.228 nan 4.170 nan 0.000 0.268 38 I C -0.961 175.156 176.117 0.001 0.000 1.153 38 I CA 0.416 61.717 61.300 0.001 0.000 1.459 38 I CB 1.278 39.271 38.000 -0.012 0.000 1.149 38 I HN -0.304 7.918 8.210 0.021 0.000 0.443 39 L N 3.611 124.850 121.223 0.026 0.000 2.281 39 L HA 0.482 nan 4.340 nan 0.000 0.285 39 L C -2.553 174.360 176.870 0.072 0.000 1.074 39 L CA -2.881 51.994 54.840 0.058 0.000 0.817 39 L CB 0.160 42.309 42.059 0.149 0.000 1.168 39 L HN -0.734 7.803 8.230 0.041 -0.283 0.434 40 P HA 0.034 nan 4.420 nan 0.000 0.269 40 P C 0.236 177.581 177.300 0.074 0.000 1.211 40 P CA 0.179 63.312 63.100 0.055 0.000 0.781 40 P CB 0.539 32.268 31.700 0.048 0.000 0.877 41 R N 2.866 123.400 120.500 0.057 0.000 2.088 41 R HA -0.355 nan 4.340 nan 0.000 0.232 41 R C 2.597 178.943 176.300 0.077 0.000 1.136 41 R CA 3.409 59.546 56.100 0.061 0.000 0.926 41 R CB -0.863 29.459 30.300 0.037 0.000 0.837 41 R HN 0.556 8.852 8.270 0.042 0.000 0.429 42 G N -1.501 107.337 108.800 0.063 0.000 2.432 42 G HA2 -0.186 nan 3.960 nan 0.000 0.219 42 G HA3 -0.186 nan 3.960 nan 0.000 0.219 42 G C -0.061 174.880 174.900 0.069 0.000 1.135 42 G CA 0.526 45.662 45.100 0.060 0.000 0.767 42 G HN 0.339 8.661 8.290 0.053 0.000 0.550 43 T N -0.371 114.234 114.554 0.085 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.297 174.467 174.700 0.106 0.000 1.088 43 T CA -0.249 61.908 62.100 0.095 0.000 1.120 43 T CB 0.841 69.781 68.868 0.119 0.000 1.000 43 T HN -0.808 7.434 8.240 0.087 0.050 0.550 44 L N 0.581 121.847 121.223 0.073 0.000 2.397 44 L HA 0.168 nan 4.340 nan 0.000 0.271 44 L C 0.086 176.998 176.870 0.070 0.000 1.148 44 L CA -0.148 54.729 54.840 0.061 0.000 0.825 44 L CB 0.485 42.548 42.059 0.007 0.000 1.117 44 L HN 0.078 8.345 8.230 0.062 0.000 0.456 45 F N 3.559 123.485 119.950 -0.040 0.000 2.404 45 F HA 0.064 nan 4.527 nan 0.000 0.339 45 F C -1.103 174.568 175.800 -0.216 0.000 1.105 45 F CA -0.993 56.942 58.000 -0.108 0.000 1.087 45 F CB 2.332 41.354 39.000 0.037 0.000 1.143 45 F HN -0.137 8.317 8.300 0.258 0.000 0.491 46 S N 5.616 120.490 115.700 -1.377 0.000 2.437 46 S HA 0.158 nan 4.470 nan 0.000 0.305 46 S C 0.150 174.151 174.600 -0.998 0.000 1.109 46 S CA -1.349 56.326 58.200 -0.875 0.000 1.099 46 S CB 1.510 64.303 63.200 -0.677 0.000 1.004 46 S HN -0.127 6.844 8.310 -2.231 0.000 0.475 47 C N 7.343 126.309 119.300 -0.556 0.000 2.450 47 C HA 0.048 nan 4.460 nan 0.000 0.279 47 C C 0.915 175.429 174.990 -0.794 0.000 1.335 47 C CA 1.387 60.037 59.018 -0.612 0.000 1.749 47 C CB -0.284 27.029 27.740 -0.711 0.000 1.963 47 C HN 0.188 8.215 8.230 -0.339 0.000 0.501 48 F N -4.041 115.765 119.950 -0.239 0.000 2.219 48 F HA -0.056 nan 4.527 nan 0.000 0.294 48 F C 0.754 176.375 175.800 -0.299 0.000 1.086 48 F CA 1.688 59.555 58.000 -0.221 0.000 1.330 48 F CB 0.223 39.113 39.000 -0.183 0.000 1.047 48 F HN -0.772 7.285 8.300 -0.360 0.027 0.495 49 H N -0.019 118.919 119.070 -0.221 0.000 2.897 49 H HA -0.094 nan 4.556 nan 0.000 0.347 49 H C 0.287 175.479 175.328 -0.227 0.000 1.068 49 H CA 0.438 56.325 56.048 -0.269 0.000 1.426 49 H CB 1.682 31.438 29.762 -0.011 0.000 1.410 49 H HN -0.637 7.606 8.280 -0.060 0.000 0.597 50 A N 6.812 129.250 122.820 -0.636 0.000 1.877 50 A HA -0.294 nan 4.320 nan 0.000 0.216 50 A C 1.622 179.189 177.584 -0.029 0.000 1.186 50 A CA 3.595 55.452 52.037 -0.300 0.000 0.620 50 A CB -0.081 18.741 19.000 -0.297 0.000 0.822 50 A HN 0.712 8.085 8.150 -1.294 0.000 0.443 51 R N -2.356 118.259 120.500 0.193 0.000 2.096 51 R HA -0.338 nan 4.340 nan 0.000 0.235 51 R C 2.370 178.674 176.300 0.007 0.000 1.127 51 R CA 3.031 59.199 56.100 0.113 0.000 0.968 51 R CB -0.914 29.432 30.300 0.077 0.000 0.861 51 R HN -0.558 7.874 8.270 0.270 0.000 0.440 52 H N -0.062 119.040 119.070 0.054 0.000 2.353 52 H HA -0.174 nan 4.556 nan 0.000 0.300 52 H C 2.591 177.934 175.328 0.024 0.000 1.090 52 H CA 3.749 59.756 56.048 -0.068 0.000 1.327 52 H CB 0.109 29.543 29.762 -0.547 0.000 1.383 52 H HN -0.648 7.792 8.280 0.297 0.018 0.508 53 L N -1.372 119.892 121.223 0.069 0.000 2.083 53 L HA -0.365 nan 4.340 nan 0.000 0.209 53 L C 1.903 178.822 176.870 0.081 0.000 1.083 53 L CA 2.760 57.630 54.840 0.050 0.000 0.752 53 L CB -0.638 41.403 42.059 -0.030 0.000 0.899 53 L HN -0.198 7.957 8.230 0.039 0.099 0.433 54 A N -0.895 121.959 122.820 0.057 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.102 179.717 177.584 0.053 0.000 1.181 54 A CA 3.357 55.424 52.037 0.050 0.000 0.623 54 A CB -1.123 17.895 19.000 0.031 0.000 0.818 54 A HN 0.267 8.341 8.150 0.043 0.101 0.443 55 E N -1.298 118.937 120.200 0.058 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.356 178.954 176.600 -0.005 0.000 0.989 55 E CA 2.850 59.275 56.400 0.041 0.000 0.800 55 E CB -0.112 29.634 29.700 0.076 0.000 0.746 55 E HN -0.469 7.931 8.360 0.067 0.000 0.452 56 A N -1.320 121.502 122.820 0.003 0.000 1.902 56 A HA -0.258 nan 4.320 nan 0.000 0.217 56 A C 2.069 179.407 177.584 -0.410 0.000 1.181 56 A CA 3.354 55.238 52.037 -0.254 0.000 0.623 56 A CB -0.877 17.988 19.000 -0.225 0.000 0.818 56 A HN -0.100 8.029 8.150 0.116 0.090 0.443 57 T N -0.227 114.376 114.554 0.080 0.000 2.746 57 T HA -0.308 nan 4.350 nan 0.000 0.267 57 T C 1.765 176.596 174.700 0.219 0.000 1.039 57 T CA 4.514 66.861 62.100 0.412 0.000 1.142 57 T CB -0.480 68.545 68.868 0.262 0.000 0.866 57 T HN 0.112 8.334 8.240 0.110 0.084 0.444 58 E N 1.632 121.871 120.200 0.064 0.000 2.077 58 E HA -0.272 nan 4.350 nan 0.000 0.193 58 E C 1.942 178.554 176.600 0.019 0.000 0.989 58 E CA 2.820 59.245 56.400 0.041 0.000 0.800 58 E CB -0.571 29.139 29.700 0.016 0.000 0.746 58 E HN -0.346 7.960 8.360 0.043 0.080 0.452 59 L N -1.333 119.844 121.223 -0.076 0.000 2.046 59 L HA -0.391 nan 4.340 nan 0.000 0.208 59 L C 2.309 179.154 176.870 -0.042 0.000 1.077 59 L CA 3.204 57.980 54.840 -0.107 0.000 0.747 59 L CB -0.264 41.664 42.059 -0.218 0.000 0.896 59 L HN -0.213 7.842 8.230 -0.126 0.099 0.432 60 Y N -3.093 117.263 120.300 0.094 0.000 2.181 60 Y HA -0.446 nan 4.550 nan 0.000 0.288 60 Y C 2.290 178.356 175.900 0.277 0.000 1.146 60 Y CA 4.161 62.377 58.100 0.192 0.000 1.164 60 Y CB -1.166 37.498 38.460 0.341 0.000 0.982 60 Y HN -0.282 7.764 8.280 -0.238 0.091 0.515 61 V N -4.381 115.760 119.914 0.379 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.576 177.797 176.094 0.211 0.000 1.055 61 V CA 3.566 66.027 62.300 0.267 0.000 1.038 61 V CB -1.615 30.277 31.823 0.115 0.000 0.651 61 V HN 0.117 8.496 8.190 0.323 0.006 0.450 62 A N 0.286 123.182 122.820 0.126 0.000 1.902 62 A HA -0.278 nan 4.320 nan 0.000 0.217 62 A C 1.911 179.535 177.584 0.067 0.000 1.181 62 A CA 3.066 55.144 52.037 0.069 0.000 0.623 62 A CB -0.907 18.102 19.000 0.015 0.000 0.818 62 A HN -0.585 7.529 8.150 0.110 0.103 0.443 63 L N -2.350 118.905 121.223 0.053 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.227 179.147 176.870 0.084 0.000 1.077 63 L CA 3.180 58.032 54.840 0.019 0.000 0.747 63 L CB -0.690 41.367 42.059 -0.004 0.000 0.896 63 L HN -0.479 7.707 8.230 0.074 0.089 0.432 64 Y N -2.665 117.743 120.300 0.180 0.000 2.181 64 Y HA -0.414 nan 4.550 nan 0.000 0.288 64 Y C 2.922 178.884 175.900 0.103 0.000 1.146 64 Y CA 3.356 61.538 58.100 0.136 0.000 1.164 64 Y CB -0.443 38.049 38.460 0.054 0.000 0.982 64 Y HN 0.330 8.590 8.280 0.279 0.187 0.515 65 G N -2.459 106.475 108.800 0.223 0.000 2.448 65 G HA2 -0.315 nan 3.960 nan 0.000 0.219 65 G HA3 -0.315 nan 3.960 nan 0.000 0.219 65 G C -0.440 174.528 174.900 0.113 0.000 1.127 65 G CA 0.189 45.371 45.100 0.137 0.000 0.766 65 G HN -0.050 8.169 8.290 0.228 0.208 0.552 66 A N 1.006 123.898 122.820 0.120 0.000 2.580 66 A HA -0.170 nan 4.320 nan 0.000 0.244 66 A C -0.183 177.466 177.584 0.109 0.000 1.045 66 A CA 0.119 52.220 52.037 0.107 0.000 0.761 66 A CB 0.095 19.183 19.000 0.146 0.000 0.962 66 A HN -0.640 7.437 8.150 0.133 0.153 0.512 67 K N 3.489 123.938 120.400 0.081 0.000 2.026 67 K HA -0.260 nan 4.320 nan 0.000 0.208 67 K C -0.703 175.950 176.600 0.089 0.000 1.048 67 K CA 2.333 58.664 56.287 0.074 0.000 0.929 67 K CB 0.378 32.909 32.500 0.052 0.000 0.713 67 K HN 0.347 8.808 8.250 0.066 -0.171 0.439 68 D N -5.425 115.035 120.400 0.100 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.261 176.139 176.300 0.168 0.000 1.130 68 D CA -1.699 52.379 54.000 0.129 0.000 1.031 68 D CB 0.782 41.650 40.800 0.114 0.000 1.451 68 D HN -0.525 7.899 8.370 0.091 0.000 0.505 69 F N -0.031 119.965 119.950 0.075 0.000 2.134 69 F HA -0.285 nan 4.527 nan 0.000 0.299 69 F C 0.693 176.602 175.800 0.181 0.000 1.097 69 F CA 3.745 61.798 58.000 0.090 0.000 1.264 69 F CB 0.376 39.384 39.000 0.012 0.000 1.001 69 F HN 0.115 8.571 8.300 0.301 0.024 0.479 70 N N -2.262 116.562 118.700 0.207 0.000 2.120 70 N HA -0.324 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.988 175.510 0.064 0.000 1.024 70 N CA 3.284 56.416 53.050 0.135 0.000 0.852 70 N CB -1.251 37.312 38.487 0.125 0.000 1.003 70 N HN 0.074 8.583 8.380 0.239 0.015 0.424 71 D N 0.457 120.895 120.400 0.063 0.000 2.144 71 D HA -0.230 nan 4.640 nan 0.000 0.199 71 D C 1.767 178.083 176.300 0.027 0.000 0.984 71 D CA 2.648 56.677 54.000 0.048 0.000 0.834 71 D CB -0.145 40.682 40.800 0.046 0.000 0.955 71 D HN -0.048 8.547 8.370 0.085 -0.175 0.465 72 F N 1.572 121.411 119.950 -0.185 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.699 177.322 175.800 -0.295 0.000 1.105 72 F CA 3.400 61.228 58.000 -0.287 0.000 1.239 72 F CB 0.293 38.974 39.000 -0.531 0.000 0.991 72 F HN -0.179 8.094 8.300 0.091 0.082 0.474 73 I N -2.198 118.260 120.570 -0.186 0.000 2.226 73 I HA -0.557 nan 4.170 nan 0.000 0.245 73 I C 1.950 177.979 176.117 -0.146 0.000 1.100 73 I CA 2.592 63.798 61.300 -0.156 0.000 1.374 73 I CB -1.743 36.251 38.000 -0.010 0.000 1.057 73 I HN 0.206 8.238 8.210 -0.163 0.080 0.413 74 H N 1.465 120.452 119.070 -0.139 0.000 2.293 74 H HA -0.311 nan 4.556 nan 0.000 0.300 74 H C 2.271 177.517 175.328 -0.136 0.000 1.082 74 H CA 4.546 60.532 56.048 -0.103 0.000 1.308 74 H CB 0.341 30.065 29.762 -0.063 0.000 1.375 74 H HN -0.360 7.869 8.280 0.057 0.086 0.495 75 L N -1.545 119.630 121.223 -0.080 0.000 2.083 75 L HA -0.286 nan 4.340 nan 0.000 0.209 75 L C 1.640 178.372 176.870 -0.231 0.000 1.083 75 L CA 3.111 57.872 54.840 -0.132 0.000 0.752 75 L CB -0.697 41.302 42.059 -0.100 0.000 0.899 75 L HN -0.098 8.108 8.230 -0.039 0.000 0.433 76 C N -0.235 118.863 119.300 -0.338 0.000 2.432 76 C HA -0.486 nan 4.460 nan 0.000 0.277 76 C C 1.667 176.562 174.990 -0.159 0.000 1.249 76 C CA 4.151 63.017 59.018 -0.253 0.000 1.725 76 C CB -1.978 25.499 27.740 -0.438 0.000 2.028 76 C HN -0.183 7.773 8.230 -0.431 0.015 0.477 77 E N -0.562 119.499 120.200 -0.232 0.000 2.085 77 E HA -0.505 nan 4.350 nan 0.000 0.194 77 E C 2.411 178.851 176.600 -0.267 0.000 0.994 77 E CA 3.215 59.474 56.400 -0.235 0.000 0.801 77 E CB -0.290 29.270 29.700 -0.235 0.000 0.743 77 E HN 0.148 8.161 8.360 -0.263 0.189 0.453 78 Q N -0.854 118.759 119.800 -0.312 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.717 178.611 176.000 -0.175 0.000 0.969 78 Q CA 2.672 58.324 55.803 -0.253 0.000 0.838 78 Q CB 0.107 28.687 28.738 -0.262 0.000 0.900 78 Q HN -0.250 7.717 8.270 -0.386 0.071 0.436 79 A N 0.774 123.508 122.820 -0.143 0.000 1.933 79 A HA -0.278 nan 4.320 nan 0.000 0.218 79 A C 1.487 179.002 177.584 -0.116 0.000 1.175 79 A CA 2.990 54.980 52.037 -0.079 0.000 0.628 79 A CB -0.871 18.123 19.000 -0.010 0.000 0.814 79 A HN 0.627 8.489 8.150 -0.158 0.193 0.444 80 R N -2.983 117.355 120.500 -0.270 0.000 2.152 80 R HA -0.364 nan 4.340 nan 0.000 0.232 80 R C 1.585 177.666 176.300 -0.365 0.000 1.117 80 R CA 3.045 58.769 56.100 -0.626 0.000 0.981 80 R CB -0.133 29.471 30.300 -1.161 0.000 0.870 80 R HN -0.181 7.925 8.270 -0.242 0.018 0.451 81 Q N -2.879 116.778 119.800 -0.239 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.495 177.427 176.000 -0.112 0.000 0.980 81 Q CA 2.375 58.080 55.803 -0.164 0.000 0.840 81 Q CB 0.139 28.801 28.738 -0.127 0.000 0.898 81 Q HN -0.612 7.371 8.270 -0.224 0.152 0.424 82 I N -3.649 116.869 120.570 -0.088 0.000 2.339 82 I HA -0.143 nan 4.170 nan 0.000 0.245 82 I C 0.232 176.332 176.117 -0.028 0.000 1.096 82 I CA 0.998 62.269 61.300 -0.049 0.000 1.408 82 I CB 1.384 39.362 38.000 -0.036 0.000 1.092 82 I HN -0.716 7.435 8.210 -0.098 0.000 0.423 83 V N -4.385 115.515 119.914 -0.023 0.000 3.185 83 V HA 0.067 nan 4.120 nan 0.000 0.305 83 V C -0.971 175.144 176.094 0.035 0.000 1.090 83 V CA -1.817 60.494 62.300 0.018 0.000 1.107 83 V CB -0.058 31.791 31.823 0.043 0.000 1.061 83 V HN -0.461 7.703 8.190 -0.044 0.000 0.480 84 N N 0.844 119.586 118.700 0.069 0.000 2.454 84 N HA -0.176 nan 4.740 nan 0.000 0.254 84 N C 1.297 176.871 175.510 0.106 0.000 1.228 84 N CA 0.213 53.321 53.050 0.096 0.000 0.900 84 N CB 1.116 39.697 38.487 0.155 0.000 1.089 84 N HN 0.003 8.428 8.380 0.074 0.000 0.449 85 E N 3.145 123.420 120.200 0.126 0.000 2.106 85 E HA -0.321 nan 4.350 nan 0.000 0.192 85 E C 1.739 178.494 176.600 0.258 0.000 0.984 85 E CA 3.007 59.520 56.400 0.189 0.000 0.806 85 E CB -0.868 28.956 29.700 0.206 0.000 0.750 85 E HN 0.249 8.680 8.360 0.118 0.000 0.458 86 G N -0.304 108.597 108.800 0.168 0.000 2.418 86 G HA2 -0.304 nan 3.960 nan 0.000 0.217 86 G HA3 -0.304 nan 3.960 nan 0.000 0.217 86 G C 1.129 175.945 174.900 -0.141 0.000 1.158 86 G CA 1.586 46.755 45.100 0.115 0.000 0.771 86 G HN -0.317 8.124 8.290 0.160 -0.055 0.545 87 M N 2.713 122.049 119.600 -0.439 0.000 2.159 87 M HA -0.356 nan 4.480 nan 0.000 0.263 87 M C 0.864 176.997 176.300 -0.279 0.000 1.063 87 M CA 3.304 58.101 55.300 -0.837 0.000 1.110 87 M CB 0.062 32.373 32.600 -0.481 0.000 1.374 87 M HN 0.099 8.626 8.290 -0.170 -0.340 0.411 88 F N -0.589 119.271 119.950 -0.150 0.000 2.102 88 F HA -0.404 nan 4.527 nan 0.000 0.298 88 F C 1.115 176.936 175.800 0.035 0.000 1.105 88 F CA 4.199 62.156 58.000 -0.071 0.000 1.239 88 F CB -0.076 38.894 39.000 -0.050 0.000 0.991 88 F HN -0.370 7.921 8.300 0.140 0.093 0.474 89 V N -0.277 119.757 119.914 0.200 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.020 177.268 176.094 0.256 0.000 1.055 89 V CA 4.037 66.511 62.300 0.291 0.000 1.049 89 V CB -0.997 31.205 31.823 0.632 0.000 0.662 89 V HN 0.057 8.486 8.190 0.398 0.000 0.455 90 Y N 0.534 120.890 120.300 0.093 0.000 2.145 90 Y HA -0.475 nan 4.550 nan 0.000 0.286 90 Y C 1.341 177.250 175.900 0.014 0.000 1.145 90 Y CA 3.768 61.892 58.100 0.040 0.000 1.148 90 Y CB -0.318 38.026 38.460 -0.193 0.000 0.981 90 Y HN -0.429 7.871 8.280 0.204 0.103 0.507 91 A N -1.687 121.146 122.820 0.021 0.000 1.898 91 A HA -0.366 nan 4.320 nan 0.000 0.216 91 A C 2.122 179.724 177.584 0.031 0.000 1.181 91 A CA 3.142 55.069 52.037 -0.183 0.000 0.620 91 A CB -0.647 18.087 19.000 -0.444 0.000 0.819 91 A HN 0.189 8.270 8.150 -0.115 0.000 0.442 92 V N -4.415 115.371 119.914 -0.214 0.000 2.358 92 V HA -0.372 nan 4.120 nan 0.000 0.246 92 V C 1.849 178.060 176.094 0.195 0.000 1.047 92 V CA 3.887 66.104 62.300 -0.138 0.000 1.035 92 V CB -1.322 30.171 31.823 -0.551 0.000 0.658 92 V HN 0.145 8.076 8.190 -0.432 0.000 0.452 93 S N 0.307 116.164 115.700 0.262 0.000 2.382 93 S HA -0.268 nan 4.470 nan 0.000 0.228 93 S C 2.017 176.771 174.600 0.257 0.000 1.027 93 S CA 3.518 61.901 58.200 0.304 0.000 0.991 93 S CB -0.437 62.941 63.200 0.295 0.000 0.823 93 S HN -0.290 8.141 8.310 0.202 0.000 0.469 94 V N 1.360 121.477 119.914 0.339 0.000 2.343 94 V HA -0.380 nan 4.120 nan 0.000 0.247 94 V C 1.854 178.249 176.094 0.502 0.000 1.051 94 V CA 4.047 66.627 62.300 0.467 0.000 1.036 94 V CB -1.048 31.131 31.823 0.593 0.000 0.654 94 V HN -0.430 7.979 8.190 0.365 0.000 0.451 95 A N -0.625 122.377 122.820 0.304 0.000 1.902 95 A HA -0.291 nan 4.320 nan 0.000 0.217 95 A C 1.852 179.436 177.584 -0.001 0.000 1.181 95 A CA 3.595 55.594 52.037 -0.064 0.000 0.623 95 A CB -0.839 18.197 19.000 0.059 0.000 0.818 95 A HN -0.243 8.037 8.150 0.341 0.075 0.443 96 V N -0.376 119.597 119.914 0.099 0.000 2.407 96 V HA -0.398 nan 4.120 nan 0.000 0.248 96 V C 1.339 177.438 176.094 0.009 0.000 1.055 96 V CA 3.765 66.086 62.300 0.036 0.000 1.049 96 V CB -0.829 31.071 31.823 0.128 0.000 0.662 96 V HN 0.002 8.232 8.190 0.196 0.078 0.455 97 L N -2.265 118.974 121.223 0.027 0.000 2.005 97 L HA -0.372 nan 4.340 nan 0.000 0.207 97 L C 1.796 178.536 176.870 -0.218 0.000 1.072 97 L CA 3.196 57.949 54.840 -0.146 0.000 0.744 97 L CB 0.164 42.058 42.059 -0.275 0.000 0.895 97 L HN -0.317 7.897 8.230 0.111 0.083 0.433 98 H N -4.778 114.405 119.070 0.188 0.000 2.384 98 H HA 0.011 nan 4.556 nan 0.000 0.300 98 H C 1.140 176.611 175.328 0.239 0.000 1.057 98 H CA 2.551 58.763 56.048 0.274 0.000 1.370 98 H CB 0.673 30.753 29.762 0.529 0.000 1.417 98 H HN -0.508 7.973 8.280 0.336 0.000 0.527 99 R N 1.141 121.804 120.500 0.271 0.000 2.351 99 R HA -0.121 nan 4.340 nan 0.000 0.318 99 R C 0.698 177.037 176.300 0.064 0.000 1.055 99 R CA 0.003 56.193 56.100 0.150 0.000 0.968 99 R CB 0.160 30.421 30.300 -0.065 0.000 0.974 99 R HN 0.039 8.405 8.270 0.162 0.000 0.439 100 E N 5.286 125.538 120.200 0.086 0.000 2.097 100 E HA -0.397 nan 4.350 nan 0.000 0.196 100 E C 1.193 177.795 176.600 0.004 0.000 1.000 100 E CA 3.535 59.962 56.400 0.045 0.000 0.804 100 E CB -0.573 29.160 29.700 0.055 0.000 0.740 100 E HN 0.434 8.872 8.360 0.130 0.000 0.454 101 D N -0.391 120.025 120.400 0.028 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.668 177.903 176.300 -0.108 0.000 0.997 101 D CA 2.799 56.815 54.000 0.027 0.000 0.840 101 D CB -0.487 40.430 40.800 0.195 0.000 0.947 101 D HN 0.001 8.388 8.370 0.057 0.017 0.452 102 C N -0.371 118.879 119.300 -0.083 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.511 175.410 174.990 -0.152 0.000 1.356 102 C CA -1.070 57.842 59.018 -0.177 0.000 1.531 102 C CB -2.488 25.193 27.740 -0.099 0.000 1.613 102 C HN -0.144 7.990 8.230 -0.019 0.084 0.597 103 K N 3.825 124.145 120.400 -0.133 0.000 3.256 103 K HA -0.142 nan 4.320 nan 0.000 0.285 103 K C -0.562 175.951 176.600 -0.145 0.000 1.086 103 K CA -0.185 56.036 56.287 -0.110 0.000 1.125 103 K CB -2.627 29.826 32.500 -0.078 0.000 1.292 103 K HN 0.058 8.062 8.250 -0.119 0.174 0.312 104 G N -2.162 106.531 108.800 -0.178 0.000 3.941 104 G HA2 0.082 nan 3.960 nan 0.000 0.222 104 G HA3 0.082 nan 3.960 nan 0.000 0.222 104 G C -1.503 173.271 174.900 -0.210 0.000 1.118 104 G CA 0.209 45.188 45.100 -0.201 0.000 0.880 104 G HN 0.069 8.196 8.290 -0.168 0.062 0.546 105 I N 0.615 121.058 120.570 -0.212 0.000 2.651 105 I HA 0.094 nan 4.170 nan 0.000 0.287 105 I C -1.730 174.236 176.117 -0.252 0.000 1.244 105 I CA -0.834 60.333 61.300 -0.222 0.000 1.061 105 I CB 2.669 40.566 38.000 -0.172 0.000 1.286 105 I HN -0.619 7.481 8.210 -0.184 0.000 0.434 106 T N 5.597 119.930 114.554 -0.367 0.000 2.847 106 T HA 0.167 nan 4.350 nan 0.000 0.279 106 T C -1.190 173.359 174.700 -0.252 0.000 0.984 106 T CA -0.826 61.044 62.100 -0.384 0.000 0.988 106 T CB 1.042 69.573 68.868 -0.562 0.000 1.040 106 T HN 0.071 8.270 8.240 -0.337 -0.161 0.528 107 V N 2.342 122.102 119.914 -0.258 0.000 2.630 107 V HA 0.332 nan 4.120 nan 0.000 0.305 107 V C -1.904 173.848 176.094 -0.570 0.000 1.046 107 V CA -3.456 58.604 62.300 -0.401 0.000 0.934 107 V CB 0.543 32.191 31.823 -0.291 0.000 1.003 107 V HN 0.424 8.490 8.190 -0.208 0.000 0.451 108 P HA 0.160 nan 4.420 nan 0.000 0.269 108 P C -2.585 174.270 177.300 -0.741 0.000 1.215 108 P CA -1.557 60.925 63.100 -1.031 0.000 0.780 108 P CB -0.078 31.064 31.700 -0.931 0.000 0.898 109 P HA 0.065 nan 4.420 nan 0.000 0.268 109 P C 0.967 178.173 177.300 -0.157 0.000 1.204 109 P CA -0.421 62.487 63.100 -0.320 0.000 0.768 109 P CB 0.598 32.147 31.700 -0.251 0.000 0.842 110 I N -0.760 119.743 120.570 -0.113 0.000 2.252 110 I HA -0.459 nan 4.170 nan 0.000 0.245 110 I C 1.328 177.476 176.117 0.052 0.000 1.102 110 I CA 3.940 65.171 61.300 -0.115 0.000 1.385 110 I CB -0.135 37.648 38.000 -0.361 0.000 1.064 110 I HN 0.316 8.494 8.210 -0.054 0.000 0.414 111 Q N 0.578 120.293 119.800 -0.142 0.000 2.084 111 Q HA -0.342 nan 4.340 nan 0.000 0.202 111 Q C 1.059 177.090 176.000 0.051 0.000 0.978 111 Q CA 3.510 59.146 55.803 -0.277 0.000 0.844 111 Q CB -1.161 27.154 28.738 -0.705 0.000 0.898 111 Q HN 0.290 8.425 8.270 -0.226 0.000 0.426 112 E N -2.994 117.244 120.200 0.062 0.000 2.107 112 E HA -0.198 nan 4.350 nan 0.000 0.191 112 E C 1.759 178.496 176.600 0.228 0.000 0.982 112 E CA 2.133 58.662 56.400 0.215 0.000 0.809 112 E CB 0.008 29.937 29.700 0.382 0.000 0.756 112 E HN -0.034 8.220 8.360 -0.009 0.100 0.459 113 V N -4.672 115.334 119.914 0.153 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.653 176.514 176.094 -0.388 0.000 1.045 113 V CA 2.225 64.475 62.300 -0.084 0.000 1.024 113 V CB 0.082 31.803 31.823 -0.170 0.000 0.651 113 V HN -0.145 7.901 8.190 0.112 0.212 0.449 114 F N -1.255 118.778 119.950 0.139 0.000 2.449 114 F HA 0.606 nan 4.527 nan 0.000 0.344 114 F C -1.125 174.801 175.800 0.211 0.000 1.180 114 F CA -3.083 54.999 58.000 0.136 0.000 1.209 114 F CB 0.426 39.474 39.000 0.080 0.000 1.440 114 F HN -0.054 8.285 8.300 0.242 0.106 0.526 115 P HA -0.210 nan 4.420 nan 0.000 0.220 115 P C 0.606 178.081 177.300 0.292 0.000 1.148 115 P CA 2.512 65.789 63.100 0.294 0.000 0.803 115 P CB -0.234 31.575 31.700 0.182 0.000 0.782 116 D N -2.546 118.004 120.400 0.251 0.000 2.178 116 D HA -0.276 nan 4.640 nan 0.000 0.202 116 D C 1.107 177.504 176.300 0.161 0.000 0.974 116 D CA 2.677 56.796 54.000 0.199 0.000 0.841 116 D CB -1.121 39.792 40.800 0.188 0.000 0.953 116 D HN 0.544 9.035 8.370 0.277 0.044 0.478 117 R N -2.398 118.171 120.500 0.115 0.000 2.235 117 R HA -0.188 nan 4.340 nan 0.000 0.213 117 R C 0.940 176.969 176.300 -0.452 0.000 1.059 117 R CA 1.764 57.773 56.100 -0.151 0.000 0.997 117 R CB -0.628 29.494 30.300 -0.296 0.000 0.884 117 R HN -0.562 7.823 8.270 0.218 0.016 0.462 118 F N -0.645 119.343 119.950 0.065 0.000 2.103 118 F HA -0.083 nan 4.527 nan 0.000 0.278 118 F C -0.114 175.689 175.800 0.005 0.000 1.176 118 F CA 2.893 60.895 58.000 0.005 0.000 1.116 118 F CB 1.066 40.039 39.000 -0.045 0.000 1.030 118 F HN -0.566 7.710 8.300 0.221 0.156 0.498 119 V N -6.164 113.870 119.914 0.199 0.000 2.567 119 V HA 0.247 nan 4.120 nan 0.000 0.289 119 V C -1.883 174.297 176.094 0.143 0.000 1.049 119 V CA -3.821 58.565 62.300 0.143 0.000 0.969 119 V CB -1.259 30.651 31.823 0.146 0.000 0.995 119 V HN -0.112 8.222 8.190 0.239 0.000 0.471 120 P HA -0.195 nan 4.420 nan 0.000 0.269 120 P C -0.041 177.341 177.300 0.138 0.000 1.185 120 P CA 0.371 63.556 63.100 0.142 0.000 0.769 120 P CB 0.494 32.267 31.700 0.122 0.000 0.809 121 A N 3.724 126.636 122.820 0.153 0.000 1.836 121 A HA -0.565 nan 4.320 nan 0.000 0.269 121 A C 2.203 179.853 177.584 0.109 0.000 2.597 121 A CA 3.230 55.349 52.037 0.137 0.000 0.810 121 A CB -0.819 18.278 19.000 0.162 0.000 0.833 121 A HN 0.777 8.952 8.150 0.171 0.076 0.542 122 E N -2.708 117.549 120.200 0.095 0.000 2.153 122 E HA -0.357 nan 4.350 nan 0.000 0.194 122 E C 2.334 178.987 176.600 0.088 0.000 0.988 122 E CA 2.634 59.082 56.400 0.079 0.000 0.811 122 E CB -0.289 29.447 29.700 0.061 0.000 0.746 122 E HN 0.210 8.625 8.360 0.091 0.000 0.466 123 T N 1.530 116.148 114.554 0.106 0.000 2.653 123 T HA -0.248 nan 4.350 nan 0.000 0.268 123 T C 2.028 176.788 174.700 0.100 0.000 1.035 123 T CA 4.174 66.341 62.100 0.111 0.000 1.154 123 T CB -0.334 68.617 68.868 0.137 0.000 0.862 123 T HN 0.163 8.399 8.240 0.115 0.073 0.441 124 I N 0.104 120.736 120.570 0.103 0.000 2.233 124 I HA -0.443 nan 4.170 nan 0.000 0.243 124 I C 1.399 177.563 176.117 0.078 0.000 1.093 124 I CA 3.675 65.035 61.300 0.100 0.000 1.380 124 I CB -0.204 37.861 38.000 0.109 0.000 1.067 124 I HN -0.301 7.806 8.210 0.106 0.166 0.413 125 N N -0.204 118.539 118.700 0.072 0.000 2.051 125 N HA -0.351 nan 4.740 nan 0.000 0.192 125 N C 1.817 177.357 175.510 0.049 0.000 1.049 125 N CA 3.613 56.696 53.050 0.055 0.000 0.845 125 N CB 0.246 38.764 38.487 0.052 0.000 1.031 125 N HN -0.540 7.888 8.380 0.079 0.000 0.425 126 R N 0.544 121.075 120.500 0.052 0.000 2.140 126 R HA -0.400 nan 4.340 nan 0.000 0.250 126 R C 2.061 178.387 176.300 0.043 0.000 1.150 126 R CA 3.448 59.575 56.100 0.046 0.000 0.966 126 R CB -0.044 30.288 30.300 0.053 0.000 0.869 126 R HN -0.513 7.793 8.270 0.060 0.000 0.445 127 A N -3.427 119.424 122.820 0.051 0.000 1.929 127 A HA -0.171 nan 4.320 nan 0.000 0.216 127 A C 2.112 179.720 177.584 0.040 0.000 1.176 127 A CA 3.076 55.142 52.037 0.049 0.000 0.628 127 A CB -0.896 18.139 19.000 0.059 0.000 0.816 127 A HN -0.335 7.841 8.150 0.060 0.011 0.444 128 N N -0.891 117.832 118.700 0.038 0.000 2.043 128 N HA -0.316 nan 4.740 nan 0.000 0.193 128 N C 2.040 177.557 175.510 0.012 0.000 1.037 128 N CA 2.977 56.042 53.050 0.025 0.000 0.851 128 N CB -0.509 37.994 38.487 0.026 0.000 1.027 128 N HN -0.464 7.943 8.380 0.046 0.000 0.422 129 K N 0.156 120.565 120.400 0.014 0.000 2.209 129 K HA -0.303 nan 4.320 nan 0.000 0.204 129 K C 2.696 179.290 176.600 -0.010 0.000 1.048 129 K CA 3.051 59.338 56.287 0.000 0.000 0.940 129 K CB -0.003 32.501 32.500 0.007 0.000 0.729 129 K HN 0.406 8.558 8.250 0.023 0.112 0.451 130 E N -0.548 119.655 120.200 0.005 0.000 2.170 130 E HA -0.214 nan 4.350 nan 0.000 0.191 130 E C 1.706 178.309 176.600 0.005 0.000 0.981 130 E CA 2.429 58.832 56.400 0.005 0.000 0.830 130 E CB -0.051 29.670 29.700 0.034 0.000 0.775 130 E HN -0.072 8.094 8.360 0.018 0.205 0.470 131 A N -0.617 122.211 122.820 0.014 0.000 1.908 131 A HA -0.267 nan 4.320 nan 0.000 0.218 131 A C 1.538 179.114 177.584 -0.014 0.000 1.181 131 A CA 3.147 55.190 52.037 0.011 0.000 0.627 131 A CB -0.496 18.510 19.000 0.011 0.000 0.818 131 A HN -0.119 8.044 8.150 0.021 0.000 0.445 132 S N -3.144 112.539 115.700 -0.029 0.000 2.428 132 S HA -0.156 nan 4.470 nan 0.000 0.230 132 S C 1.489 176.034 174.600 -0.091 0.000 1.014 132 S CA 2.093 60.265 58.200 -0.048 0.000 0.957 132 S CB 0.219 63.395 63.200 -0.041 0.000 0.784 132 S HN -0.454 7.843 8.310 -0.021 0.000 0.499 133 N N 0.537 119.166 118.700 -0.119 0.000 2.142 133 N HA -0.150 nan 4.740 nan 0.000 0.186 133 N C 0.029 175.209 175.510 -0.550 0.000 1.023 133 N CA 2.045 54.932 53.050 -0.271 0.000 0.852 133 N CB 0.856 39.213 38.487 -0.217 0.000 0.998 133 N HN -0.481 7.648 8.380 -0.075 0.206 0.424 134 H N -1.412 117.664 119.070 0.010 0.000 2.887 134 H HA 0.353 nan 4.556 nan 0.000 0.300 134 H C -2.246 173.087 175.328 0.009 0.000 1.038 134 H CA -2.648 53.405 56.048 0.009 0.000 1.352 134 H CB 1.160 30.928 29.762 0.009 0.000 1.473 134 H HN -0.249 8.007 8.280 -0.040 0.000 0.503 135 P HA -0.086 nan 4.420 nan 0.000 0.264 135 P C -1.658 175.679 177.300 0.062 0.000 1.537 135 P CA 0.409 63.533 63.100 0.040 0.000 1.189 135 P CB -0.340 31.369 31.700 0.014 0.000 1.687 136 D N 2.589 123.032 120.400 0.072 0.000 2.654 136 D HA 0.006 nan 4.640 nan 0.000 0.231 136 D C -0.381 175.953 176.300 0.057 0.000 1.239 136 D CA -0.876 53.163 54.000 0.065 0.000 0.790 136 D CB 2.155 43.005 40.800 0.084 0.000 1.480 136 D HN -0.598 7.814 8.370 0.071 0.000 0.442 137 Q N 1.920 121.746 119.800 0.043 0.000 2.245 137 Q HA -0.123 nan 4.340 nan 0.000 0.201 137 Q C -0.451 175.570 176.000 0.035 0.000 0.955 137 Q CA 1.167 56.994 55.803 0.040 0.000 0.870 137 Q CB 0.547 29.303 28.738 0.030 0.000 0.945 137 Q HN 0.321 8.612 8.270 0.035 0.000 0.461 138 Q N 0.252 120.069 119.800 0.029 0.000 2.304 138 Q HA -0.248 nan 4.340 nan 0.000 0.301 138 Q C -0.629 175.389 176.000 0.030 0.000 1.063 138 Q CA 0.304 56.120 55.803 0.021 0.000 0.947 138 Q CB 0.406 29.152 28.738 0.012 0.000 1.201 138 Q HN -0.866 7.598 8.270 0.028 -0.177 0.389 139 S N 3.368 119.080 115.700 0.021 0.000 2.566 139 S HA -0.042 nan 4.470 nan 0.000 0.280 139 S C -0.336 174.284 174.600 0.033 0.000 1.343 139 S CA 1.215 59.428 58.200 0.023 0.000 1.036 139 S CB 0.522 63.727 63.200 0.009 0.000 0.866 139 S HN 0.257 8.574 8.310 0.012 0.000 0.526 140 I N 3.304 123.897 120.570 0.038 0.000 2.664 140 I HA 0.294 nan 4.170 nan 0.000 0.308 140 I C -1.833 174.305 176.117 0.035 0.000 0.984 140 I CA -0.677 60.650 61.300 0.044 0.000 1.213 140 I CB 1.710 39.740 38.000 0.050 0.000 1.379 140 I HN 0.135 8.367 8.210 0.036 0.000 0.501 141 V N 4.349 124.285 119.914 0.036 0.000 2.851 141 V HA 0.572 nan 4.120 nan 0.000 0.307 141 V C -1.848 174.269 176.094 0.037 0.000 1.129 141 V CA -1.464 60.853 62.300 0.029 0.000 0.932 141 V CB 3.357 35.190 31.823 0.016 0.000 1.024 141 V HN -0.349 8.042 8.190 0.042 -0.176 0.426 142 V N 6.606 126.545 119.914 0.042 0.000 2.919 142 V HA 0.455 nan 4.120 nan 0.000 0.316 142 V C -1.770 174.353 176.094 0.048 0.000 1.077 142 V CA -2.117 60.215 62.300 0.053 0.000 0.977 142 V CB 3.544 35.409 31.823 0.069 0.000 1.039 142 V HN 0.784 8.997 8.190 0.039 0.000 0.441 143 E N 3.014 123.250 120.200 0.060 0.000 2.145 143 E HA 0.278 nan 4.350 nan 0.000 0.262 143 E C -0.882 175.785 176.600 0.111 0.000 0.883 143 E CA -1.775 54.669 56.400 0.073 0.000 0.748 143 E CB 1.857 31.607 29.700 0.083 0.000 1.140 143 E HN 0.350 8.747 8.360 0.061 0.000 0.417 144 A N 6.976 129.880 122.820 0.140 0.000 2.310 144 A HA -0.005 nan 4.320 nan 0.000 0.230 144 A C 0.069 177.769 177.584 0.194 0.000 1.294 144 A CA 1.007 53.140 52.037 0.159 0.000 0.898 144 A CB -0.537 18.570 19.000 0.179 0.000 0.917 144 A HN 0.641 8.874 8.150 0.137 0.000 0.491 145 E N -2.059 118.275 120.200 0.222 0.000 2.285 145 E HA -0.113 nan 4.350 nan 0.000 0.194 145 E C -0.121 176.566 176.600 0.145 0.000 0.997 145 E CA 0.138 56.678 56.400 0.234 0.000 0.845 145 E CB 0.169 30.034 29.700 0.274 0.000 0.782 145 E HN 0.210 8.608 8.360 0.213 0.090 0.491 146 E N -2.823 117.441 120.200 0.108 0.000 4.788 146 E HA -0.303 nan 4.350 nan 0.000 0.194 146 E C -1.050 175.573 176.600 0.039 0.000 1.477 146 E CA 0.905 57.343 56.400 0.063 0.000 2.443 146 E CB -0.200 29.526 29.700 0.044 0.000 2.075 146 E HN -0.244 8.158 8.360 0.116 0.028 0.466 147 T N -0.611 113.949 114.554 0.010 0.000 3.193 147 T HA 0.576 nan 4.350 nan 0.000 0.332 147 T C -1.191 173.488 174.700 -0.035 0.000 1.208 147 T CA 0.026 62.120 62.100 -0.010 0.000 1.080 147 T CB 2.089 70.954 68.868 -0.004 0.000 1.180 147 T HN 0.480 8.722 8.240 0.004 0.000 0.469 148 G N 1.743 110.503 108.800 -0.067 0.000 2.646 148 G HA2 0.068 nan 3.960 nan 0.000 0.291 148 G HA3 0.068 nan 3.960 nan 0.000 0.291 148 G C -2.354 172.482 174.900 -0.108 0.000 1.445 148 G CA 0.021 45.071 45.100 -0.085 0.000 0.814 148 G HN -0.216 8.027 8.290 -0.078 0.000 0.495 149 N N 0.196 118.846 118.700 -0.085 0.000 2.497 149 N HA -0.019 nan 4.740 nan 0.000 0.268 149 N C -0.026 175.409 175.510 -0.124 0.000 1.171 149 N CA 0.117 53.117 53.050 -0.083 0.000 0.948 149 N CB 0.854 39.313 38.487 -0.047 0.000 1.069 149 N HN -0.016 8.326 8.380 -0.063 0.000 0.460 150 I N 6.139 126.620 120.570 -0.148 0.000 2.578 150 I HA 0.059 nan 4.170 nan 0.000 0.284 150 I C -0.204 175.855 176.117 -0.097 0.000 1.156 150 I CA -0.395 60.764 61.300 -0.234 0.000 1.165 150 I CB -0.118 37.663 38.000 -0.364 0.000 1.567 150 I HN 0.241 8.386 8.210 -0.108 0.000 0.546 151 L N 3.824 125.022 121.223 -0.042 0.000 2.005 151 L HA -0.172 nan 4.340 nan 0.000 0.207 151 L C 0.423 177.318 176.870 0.043 0.000 1.072 151 L CA 1.666 56.509 54.840 0.005 0.000 0.744 151 L CB -0.409 41.660 42.059 0.018 0.000 0.895 151 L HN 0.087 8.290 8.230 -0.046 0.000 0.433 152 D N -1.850 118.599 120.400 0.081 0.000 2.350 152 D HA 0.174 nan 4.640 nan 0.000 0.249 152 D C -0.681 175.711 176.300 0.153 0.000 1.119 152 D CA -2.021 52.052 54.000 0.121 0.000 0.886 152 D CB 0.812 41.708 40.800 0.160 0.000 1.195 152 D HN -0.487 7.930 8.370 0.079 0.000 0.437 153 P HA -0.086 nan 4.420 nan 0.000 0.226 153 P C 0.558 177.943 177.300 0.141 0.000 1.153 153 P CA 1.348 64.520 63.100 0.122 0.000 0.777 153 P CB 0.280 32.026 31.700 0.077 0.000 0.794 154 E N -0.506 119.788 120.200 0.156 0.000 2.265 154 E HA -0.275 nan 4.350 nan 0.000 0.196 154 E C 1.488 178.182 176.600 0.156 0.000 0.996 154 E CA 2.240 58.728 56.400 0.147 0.000 0.832 154 E CB -0.619 29.190 29.700 0.181 0.000 0.756 154 E HN -0.283 8.425 8.360 0.159 -0.253 0.491 155 Y N 0.577 120.942 120.300 0.108 0.000 2.256 155 Y HA -0.382 nan 4.550 nan 0.000 0.288 155 Y C 1.579 177.539 175.900 0.101 0.000 1.155 155 Y CA 3.296 61.465 58.100 0.115 0.000 1.203 155 Y CB 0.036 38.554 38.460 0.096 0.000 0.980 155 Y HN -0.492 7.842 8.280 0.329 0.144 0.530 156 K N -2.189 118.309 120.400 0.163 0.000 2.103 156 K HA -0.342 nan 4.320 nan 0.000 0.207 156 K C 2.340 178.956 176.600 0.026 0.000 1.048 156 K CA 2.314 58.683 56.287 0.136 0.000 0.930 156 K CB -0.848 31.729 32.500 0.129 0.000 0.716 156 K HN -0.250 7.971 8.250 0.210 0.155 0.444 157 L N -2.289 118.857 121.223 -0.129 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.455 178.058 176.870 -0.445 0.000 1.133 157 L CA 1.391 56.012 54.840 -0.364 0.000 0.816 157 L CB -0.838 41.099 42.059 -0.203 0.000 0.933 157 L HN -0.453 7.611 8.230 -0.054 0.133 0.449 158 S N 0.903 116.415 115.700 -0.313 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.767 176.271 174.600 -0.160 0.000 1.030 158 S CA 3.896 61.944 58.200 -0.253 0.000 1.003 158 S CB -0.330 62.576 63.200 -0.490 0.000 0.813 158 S HN 0.085 8.015 8.310 -0.318 0.189 0.477 159 Y N -0.561 119.730 120.300 -0.015 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.071 177.046 175.900 0.124 0.000 1.146 159 Y CA 1.701 59.840 58.100 0.065 0.000 1.164 159 Y CB -0.965 37.540 38.460 0.075 0.000 0.982 159 Y HN -0.779 7.395 8.280 -0.140 0.022 0.515 160 F N 0.263 119.839 119.950 -0.624 0.000 2.098 160 F HA -0.239 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.097 175.800 -0.087 0.000 1.107 160 F CA 2.830 60.690 58.000 -0.233 0.000 1.234 160 F CB 0.631 39.432 39.000 -0.332 0.000 1.002 160 F HN -0.347 7.119 8.300 -1.221 0.102 0.472 161 R N -1.622 118.965 120.500 0.146 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.845 178.115 176.300 -0.050 0.000 1.126 161 R CA 2.808 58.984 56.100 0.127 0.000 0.963 161 R CB -0.121 30.252 30.300 0.122 0.000 0.858 161 R HN -0.216 8.102 8.270 0.080 0.000 0.435 162 E N -3.781 116.399 120.200 -0.034 0.000 2.427 162 E HA -0.024 nan 4.350 nan 0.000 0.196 162 E C -0.541 176.052 176.600 -0.012 0.000 1.028 162 E CA 0.344 56.740 56.400 -0.006 0.000 0.864 162 E CB 0.347 30.069 29.700 0.037 0.000 0.813 162 E HN -0.371 7.856 8.360 -0.030 0.115 0.514 163 D N 0.421 120.785 120.400 -0.061 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.574 176.848 176.300 -0.045 0.000 1.137 163 D CA 0.829 54.800 54.000 -0.049 0.000 0.868 163 D CB 0.911 41.667 40.800 -0.073 0.000 1.180 163 D HN -0.911 7.225 8.370 -0.110 0.168 0.465 164 I N 6.206 126.721 120.570 -0.092 0.000 2.252 164 I HA -0.224 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.087 176.117 -0.140 0.000 1.102 164 I CA 2.970 64.196 61.300 -0.122 0.000 1.385 164 I CB 0.501 38.210 38.000 -0.485 0.000 1.064 164 I HN 0.424 8.532 8.210 -0.170 0.000 0.414 165 G N -0.882 107.844 108.800 -0.123 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.388 176.175 174.900 -0.189 0.000 1.158 165 G CA 2.252 47.282 45.100 -0.118 0.000 0.771 165 G HN -0.226 8.215 8.290 -0.076 -0.196 0.545 166 I N 2.165 122.540 120.570 -0.325 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.771 177.801 176.117 -0.146 0.000 1.088 166 I CA 2.662 63.660 61.300 -0.503 0.000 1.357 166 I CB -1.035 36.574 38.000 -0.652 0.000 1.051 166 I HN -0.367 7.927 8.210 -0.281 -0.252 0.409 167 N N -0.074 118.635 118.700 0.014 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.201 177.897 175.510 0.309 0.000 1.024 167 N CA 3.473 56.632 53.050 0.182 0.000 0.852 167 N CB -0.355 38.310 38.487 0.298 0.000 1.003 167 N HN -0.591 7.782 8.380 -0.011 0.000 0.424 168 A N -0.005 122.976 122.820 0.268 0.000 1.902 168 A HA -0.272 nan 4.320 nan 0.000 0.217 168 A C 1.841 179.575 177.584 0.250 0.000 1.181 168 A CA 3.066 55.213 52.037 0.183 0.000 0.623 168 A CB -0.728 18.321 19.000 0.082 0.000 0.818 168 A HN -0.141 8.019 8.150 0.182 0.099 0.443 169 H N 0.179 119.382 119.070 0.221 0.000 2.321 169 H HA -0.405 nan 4.556 nan 0.000 0.300 169 H C 1.802 177.369 175.328 0.399 0.000 1.087 169 H CA 3.993 60.238 56.048 0.327 0.000 1.319 169 H CB 0.091 29.935 29.762 0.137 0.000 1.379 169 H HN -0.084 8.354 8.280 0.262 0.000 0.501 170 H N -0.405 118.816 119.070 0.251 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.552 178.108 175.328 0.380 0.000 1.090 170 H CA 3.193 59.399 56.048 0.263 0.000 1.332 170 H CB 0.347 30.250 29.762 0.234 0.000 1.386 170 H HN -0.449 8.094 8.280 0.439 0.000 0.516 171 W N 0.388 121.754 121.300 0.110 0.000 2.355 171 W HA -0.413 nan 4.660 nan 0.000 0.309 171 W C 1.607 178.103 176.519 -0.039 0.000 1.206 171 W CA 4.129 61.469 57.345 -0.008 0.000 1.284 171 W CB -0.327 29.044 29.460 -0.150 0.000 1.145 171 W HN -0.204 8.253 8.180 0.462 0.000 0.502 172 H N -2.490 116.768 119.070 0.313 0.000 2.387 172 H HA -0.364 nan 4.556 nan 0.000 0.299 172 H C 2.213 177.550 175.328 0.015 0.000 1.090 172 H CA 4.230 60.366 56.048 0.148 0.000 1.332 172 H CB -0.265 29.587 29.762 0.151 0.000 1.386 172 H HN -0.309 7.963 8.280 0.111 0.075 0.516 173 W N 0.279 121.526 121.300 -0.089 0.000 2.358 173 W HA -0.455 nan 4.660 nan 0.000 0.303 173 W C 1.783 178.273 176.519 -0.049 0.000 1.208 173 W CA 4.908 62.186 57.345 -0.112 0.000 1.274 173 W CB -0.121 29.176 29.460 -0.271 0.000 1.138 173 W HN 0.528 8.799 8.180 0.152 0.000 0.515 174 H N -2.999 116.247 119.070 0.293 0.000 2.421 174 H HA -0.315 nan 4.556 nan 0.000 0.298 174 H C 2.514 177.816 175.328 -0.044 0.000 1.087 174 H CA 4.291 60.463 56.048 0.207 0.000 1.330 174 H CB -0.165 29.651 29.762 0.090 0.000 1.388 174 H HN -0.647 7.812 8.280 0.298 0.000 0.526 175 I N -0.763 119.733 120.570 -0.123 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.642 177.705 176.117 -0.090 0.000 1.102 175 I CA 2.740 63.930 61.300 -0.183 0.000 1.385 175 I CB -0.197 37.664 38.000 -0.232 0.000 1.064 175 I HN -0.710 7.285 8.210 -0.147 0.127 0.414 176 V N -4.405 115.376 119.914 -0.221 0.000 2.427 176 V HA -0.219 nan 4.120 nan 0.000 0.248 176 V C 0.186 175.837 176.094 -0.738 0.000 1.051 176 V CA 2.877 64.919 62.300 -0.431 0.000 1.048 176 V CB 0.039 31.544 31.823 -0.530 0.000 0.666 176 V HN -0.554 7.430 8.190 -0.199 0.086 0.456 177 Y N -1.732 118.222 120.300 -0.576 0.000 2.842 177 Y HA 0.392 nan 4.550 nan 0.000 0.334 177 Y C -2.507 173.241 175.900 -0.253 0.000 1.019 177 Y CA -3.147 54.615 58.100 -0.563 0.000 1.258 177 Y CB -0.078 37.867 38.460 -0.859 0.000 1.106 177 Y HN -0.308 7.660 8.280 -0.519 0.000 0.545 178 P HA 0.095 nan 4.420 nan 0.000 0.278 178 P C -0.134 177.269 177.300 0.172 0.000 1.238 178 P CA -0.789 62.411 63.100 0.167 0.000 0.794 178 P CB 0.672 32.466 31.700 0.157 0.000 0.955 179 A N 3.900 126.822 122.820 0.171 0.000 1.930 179 A HA -0.166 nan 4.320 nan 0.000 0.217 179 A C 1.088 178.728 177.584 0.093 0.000 1.175 179 A CA 2.846 54.949 52.037 0.111 0.000 0.627 179 A CB -0.305 18.738 19.000 0.072 0.000 0.815 179 A HN 0.432 8.702 8.150 0.199 0.000 0.443 180 T N -6.607 108.002 114.554 0.093 0.000 3.035 180 T HA -0.192 nan 4.350 nan 0.000 0.268 180 T C 0.865 175.596 174.700 0.052 0.000 1.109 180 T CA 0.178 62.321 62.100 0.071 0.000 1.119 180 T CB -0.416 68.524 68.868 0.120 0.000 0.900 180 T HN -0.132 8.144 8.240 0.103 0.026 0.503 181 W N 3.590 124.811 121.300 -0.132 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.778 174.660 176.519 -0.134 0.000 1.257 181 W CA 1.274 58.503 57.345 -0.194 0.000 1.280 181 W CB -0.196 29.151 29.460 -0.188 0.000 1.214 181 W HN -0.761 7.364 8.180 0.227 0.191 0.567 182 N N 7.920 126.269 118.700 -0.586 0.000 2.479 182 N HA 0.336 nan 4.740 nan 0.000 0.261 182 N C -1.595 173.538 175.510 -0.628 0.000 0.979 182 N CA -3.068 49.738 53.050 -0.406 0.000 0.930 182 N CB 1.894 40.207 38.487 -0.290 0.000 1.172 182 N HN -0.077 7.760 8.380 -0.906 0.000 0.499 183 P HA -0.058 nan 4.420 nan 0.000 0.221 183 P C 0.847 178.046 177.300 -0.168 0.000 1.150 183 P CA 1.724 64.729 63.100 -0.159 0.000 0.800 183 P CB 0.459 32.239 31.700 0.134 0.000 0.787 184 T N -4.965 109.503 114.554 -0.144 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.552 176.161 174.700 -0.152 0.000 1.038 184 T CA 3.033 65.069 62.100 -0.107 0.000 1.144 184 T CB -0.520 68.302 68.868 -0.076 0.000 0.866 184 T HN 0.343 8.790 8.240 -0.139 -0.290 0.434 185 V N 1.474 121.253 119.914 -0.224 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.944 177.868 176.094 -0.284 0.000 1.047 185 V CA 2.793 64.955 62.300 -0.229 0.000 1.015 185 V CB -0.240 31.426 31.823 -0.262 0.000 0.642 185 V HN -0.492 7.759 8.190 -0.240 -0.205 0.446 186 M N -2.423 116.891 119.600 -0.477 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.438 177.602 176.300 -0.227 0.000 1.065 186 M CA 1.415 56.419 55.300 -0.495 0.000 1.122 186 M CB 0.366 32.451 32.600 -0.859 0.000 1.365 186 M HN -0.309 7.614 8.290 -0.612 0.000 0.411 187 G N -3.193 105.507 108.800 -0.166 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.637 173.270 174.900 0.010 0.000 1.058 187 G CA 0.374 45.440 45.100 -0.057 0.000 0.632 187 G HN 0.131 8.084 8.290 -0.223 0.203 0.508 188 K N 0.826 121.258 120.400 0.053 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.313 175.473 176.600 0.310 0.000 0.988 188 K CA -1.298 55.086 56.287 0.163 0.000 0.915 188 K CB 1.013 33.631 32.500 0.198 0.000 1.043 188 K HN -0.289 7.860 8.250 -0.003 0.098 0.457 189 E N -0.637 119.715 120.200 0.254 0.000 2.277 189 E HA 0.078 nan 4.350 nan 0.000 0.266 189 E C -0.899 175.748 176.600 0.079 0.000 0.901 189 E CA -1.841 54.731 56.400 0.288 0.000 0.782 189 E CB 2.179 31.992 29.700 0.188 0.000 1.228 189 E HN 0.104 8.563 8.360 0.166 0.000 0.424 190 K N 1.863 122.194 120.400 -0.116 0.000 2.267 190 K HA 0.101 nan 4.320 nan 0.000 0.282 190 K C -0.525 176.083 176.600 0.013 0.000 1.078 190 K CA -1.197 54.961 56.287 -0.215 0.000 0.903 190 K CB 0.091 32.314 32.500 -0.461 0.000 1.111 190 K HN 0.237 8.440 8.250 -0.079 0.000 0.475 191 D N 4.665 125.104 120.400 0.065 0.000 2.400 191 D HA -0.153 nan 4.640 nan 0.000 0.238 191 D C 0.089 176.453 176.300 0.108 0.000 1.157 191 D CA 0.978 55.035 54.000 0.094 0.000 0.889 191 D CB 0.582 41.441 40.800 0.098 0.000 1.199 191 D HN 0.143 8.539 8.370 0.044 0.000 0.436 192 R N -1.323 119.218 120.500 0.069 0.000 3.484 192 R HA -0.400 nan 4.340 nan 0.000 0.260 192 R C 0.775 177.091 176.300 0.027 0.000 1.053 192 R CA 0.969 57.086 56.100 0.030 0.000 0.703 192 R CB -2.029 28.249 30.300 -0.036 0.000 1.089 192 R HN 0.631 8.941 8.270 0.066 0.000 0.459 193 K N -1.003 119.434 120.400 0.062 0.000 2.063 193 K HA -0.285 nan 4.320 nan 0.000 0.208 193 K C 1.759 178.429 176.600 0.117 0.000 1.048 193 K CA 2.740 59.058 56.287 0.052 0.000 0.928 193 K CB -0.610 31.949 32.500 0.099 0.000 0.713 193 K HN -0.186 8.112 8.250 0.079 0.000 0.442 194 G N -1.793 107.095 108.800 0.148 0.000 2.430 194 G HA2 -0.140 nan 3.960 nan 0.000 0.216 194 G HA3 -0.140 nan 3.960 nan 0.000 0.216 194 G C 0.479 175.552 174.900 0.288 0.000 1.146 194 G CA 1.515 46.763 45.100 0.246 0.000 0.793 194 G HN 0.323 9.005 8.290 0.115 -0.324 0.537 195 E N 2.595 122.893 120.200 0.163 0.000 2.152 195 E HA -0.117 nan 4.350 nan 0.000 0.192 195 E C 1.935 178.630 176.600 0.159 0.000 0.983 195 E CA 2.309 58.798 56.400 0.148 0.000 0.818 195 E CB 0.119 29.846 29.700 0.044 0.000 0.758 195 E HN -0.805 7.811 8.360 0.114 -0.188 0.467 196 L N 0.131 121.395 121.223 0.069 0.000 2.156 196 L HA -0.253 nan 4.340 nan 0.000 0.208 196 L C 1.161 178.157 176.870 0.209 0.000 1.095 196 L CA 2.320 57.206 54.840 0.076 0.000 0.770 196 L CB -0.587 41.421 42.059 -0.086 0.000 0.914 196 L HN 0.204 8.450 8.230 0.027 0.000 0.439 197 F N 1.347 121.411 119.950 0.189 0.000 2.065 197 F HA -0.504 nan 4.527 nan 0.000 0.298 197 F C 1.257 177.068 175.800 0.018 0.000 1.112 197 F CA 4.062 62.193 58.000 0.219 0.000 1.212 197 F CB -0.272 38.874 39.000 0.244 0.000 0.975 197 F HN -0.121 8.323 8.300 0.349 0.065 0.476 198 F N -0.218 119.480 119.950 -0.421 0.000 2.095 198 F HA -0.524 nan 4.527 nan 0.000 0.298 198 F C 0.896 176.395 175.800 -0.501 0.000 1.104 198 F CA 3.936 61.462 58.000 -0.790 0.000 1.232 198 F CB -0.203 38.285 39.000 -0.852 0.000 0.987 198 F HN 0.347 8.681 8.300 0.239 0.109 0.475 199 Y N -0.480 119.446 120.300 -0.624 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.511 177.046 175.900 -0.609 0.000 1.136 199 Y CA 3.688 61.409 58.100 -0.631 0.000 1.147 199 Y CB 0.032 38.376 38.460 -0.193 0.000 0.987 199 Y HN -0.218 7.895 8.280 0.034 0.188 0.509 200 M N -0.715 118.557 119.600 -0.546 0.000 2.086 200 M HA -0.470 nan 4.480 nan 0.000 0.261 200 M C 1.923 177.701 176.300 -0.871 0.000 1.067 200 M CA 2.720 57.567 55.300 -0.756 0.000 1.116 200 M CB -0.412 31.607 32.600 -0.968 0.000 1.348 200 M HN 0.272 8.382 8.290 -0.301 0.000 0.407 201 H N -1.632 116.962 119.070 -0.794 0.000 2.389 201 H HA -0.265 nan 4.556 nan 0.000 0.299 201 H C 2.507 177.535 175.328 -0.499 0.000 1.081 201 H CA 4.614 60.338 56.048 -0.541 0.000 1.345 201 H CB -0.330 29.160 29.762 -0.452 0.000 1.393 201 H HN -0.466 7.395 8.280 -0.699 0.000 0.520 202 Q N -0.558 118.851 119.800 -0.652 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.392 178.078 176.000 -0.522 0.000 0.978 202 Q CA 3.328 58.767 55.803 -0.607 0.000 0.844 202 Q CB -0.345 27.820 28.738 -0.955 0.000 0.898 202 Q HN -0.183 7.455 8.270 -0.890 0.098 0.426 203 Q N -0.686 118.655 119.800 -0.765 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.318 176.000 -0.535 0.000 0.977 203 Q CA 2.698 58.059 55.803 -0.736 0.000 0.850 203 Q CB -0.314 27.731 28.738 -1.156 0.000 0.901 203 Q HN 0.025 7.697 8.270 -0.997 0.000 0.429 204 M N -0.084 119.245 119.600 -0.452 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.302 178.660 176.300 0.096 0.000 1.065 204 M CA 4.388 59.621 55.300 -0.112 0.000 1.114 204 M CB -0.080 32.535 32.600 0.026 0.000 1.361 204 M HN -0.144 7.740 8.290 -0.557 0.072 0.408 205 C N -0.999 118.340 119.300 0.065 0.000 2.446 205 C HA -0.341 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.851 174.990 0.055 0.000 1.275 205 C CA 4.045 63.168 59.018 0.175 0.000 1.727 205 C CB -2.105 25.712 27.740 0.130 0.000 2.010 205 C HN -0.108 8.098 8.230 -0.040 0.000 0.486 206 A N -0.031 122.745 122.820 -0.073 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.934 179.455 177.584 -0.105 0.000 1.181 206 A CA 3.372 55.350 52.037 -0.098 0.000 0.623 206 A CB -0.952 17.967 19.000 -0.135 0.000 0.818 206 A HN 0.575 8.471 8.150 -0.140 0.171 0.443 207 R N -1.963 118.466 120.500 -0.118 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.414 176.300 -0.259 0.000 1.127 207 R CA 3.165 59.203 56.100 -0.103 0.000 0.968 207 R CB -0.047 30.267 30.300 0.024 0.000 0.861 207 R HN 0.228 8.297 8.270 -0.143 0.116 0.440 208 Y N 1.066 121.087 120.300 -0.464 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.379 176.972 175.900 -0.512 0.000 1.146 208 Y CA 3.249 60.872 58.100 -0.795 0.000 1.164 208 Y CB -0.095 37.878 38.460 -0.812 0.000 0.982 208 Y HN -0.097 8.072 8.280 -0.047 0.082 0.515 209 D N -1.698 118.537 120.400 -0.276 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.764 176.300 -0.259 0.000 0.980 209 D CA 3.332 57.178 54.000 -0.255 0.000 0.842 209 D CB -0.834 39.900 40.800 -0.110 0.000 0.948 209 D HN 0.195 8.440 8.370 -0.094 0.068 0.472 210 S N -1.241 114.340 115.700 -0.198 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.919 176.464 174.600 -0.092 0.000 1.014 210 S CA 3.439 61.598 58.200 -0.069 0.000 0.965 210 S CB -0.240 62.967 63.200 0.011 0.000 0.785 210 S HN -0.302 7.804 8.310 -0.190 0.089 0.495 211 E N 1.454 121.486 120.200 -0.280 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.047 176.600 -0.261 0.000 0.985 211 E CA 2.825 59.077 56.400 -0.247 0.000 0.801 211 E CB -0.453 28.958 29.700 -0.483 0.000 0.750 211 E HN -0.507 7.460 8.360 -0.436 0.132 0.452 212 R N -0.579 119.654 120.500 -0.444 0.000 2.081 212 R HA -0.279 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.929 176.300 -0.165 0.000 1.131 212 R CA 3.314 59.214 56.100 -0.334 0.000 0.960 212 R CB -0.134 29.945 30.300 -0.368 0.000 0.856 212 R HN -0.458 7.359 8.270 -0.628 0.076 0.436 213 L N -1.171 119.972 121.223 -0.133 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.732 179.580 176.870 -0.036 0.000 1.083 213 L CA 3.119 57.913 54.840 -0.077 0.000 0.752 213 L CB -0.575 41.439 42.059 -0.075 0.000 0.899 213 L HN -0.043 8.086 8.230 -0.168 0.000 0.433 214 S N 0.610 116.324 115.700 0.022 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.246 174.600 0.022 0.000 1.027 214 S CA 3.962 62.211 58.200 0.081 0.000 0.991 214 S CB -0.430 62.855 63.200 0.141 0.000 0.823 214 S HN -0.019 8.190 8.310 0.006 0.105 0.469 215 N N -2.108 116.589 118.700 -0.006 0.000 2.396 215 N HA -0.233 nan 4.740 nan 0.000 0.180 215 N C 0.310 175.806 175.510 -0.024 0.000 1.028 215 N CA 1.397 54.440 53.050 -0.011 0.000 0.893 215 N CB 0.295 38.767 38.487 -0.025 0.000 0.967 215 N HN -0.231 8.029 8.380 -0.027 0.104 0.440 216 G N -2.574 106.202 108.800 -0.040 0.000 2.144 216 G HA2 -0.265 nan 3.960 nan 0.000 0.218 216 G HA3 -0.265 nan 3.960 nan 0.000 0.218 216 G C -0.755 174.121 174.900 -0.041 0.000 0.988 216 G CA -0.098 44.976 45.100 -0.043 0.000 0.659 216 G HN -0.434 7.641 8.290 -0.047 0.187 0.522 217 L N -1.049 120.142 121.223 -0.053 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.605 176.230 176.870 -0.058 0.000 1.058 217 L CA -1.281 53.529 54.840 -0.050 0.000 0.803 217 L CB 1.860 43.881 42.059 -0.063 0.000 1.212 217 L HN 0.200 8.251 8.230 -0.066 0.140 0.451 218 Q N -2.110 117.666 119.800 -0.039 0.000 2.318 218 Q HA 0.076 nan 4.340 nan 0.000 0.222 218 Q C -0.579 175.395 176.000 -0.042 0.000 1.003 218 Q CA -0.953 54.829 55.803 -0.035 0.000 0.936 218 Q CB 0.979 29.707 28.738 -0.016 0.000 1.204 218 Q HN -0.006 8.249 8.270 -0.024 0.000 0.524 219 R N -0.739 119.739 120.500 -0.037 0.000 2.641 219 R HA -0.071 nan 4.340 nan 0.000 0.269 219 R C 0.078 176.391 176.300 0.020 0.000 1.074 219 R CA -0.007 56.075 56.100 -0.029 0.000 1.133 219 R CB 0.469 30.751 30.300 -0.029 0.000 1.029 219 R HN 0.141 8.389 8.270 -0.037 0.000 0.488 220 M N 1.505 121.146 119.600 0.070 0.000 2.248 220 M HA -0.067 nan 4.480 nan 0.000 0.337 220 M C 0.488 176.852 176.300 0.106 0.000 1.121 220 M CA 0.281 55.660 55.300 0.132 0.000 1.155 220 M CB 0.586 33.323 32.600 0.230 0.000 1.514 220 M HN 0.088 8.600 8.290 0.065 -0.184 0.452 221 I N 2.846 123.483 120.570 0.111 0.000 2.525 221 I HA 0.449 nan 4.170 nan 0.000 0.301 221 I C -1.784 174.413 176.117 0.133 0.000 0.992 221 I CA -3.489 57.869 61.300 0.096 0.000 1.162 221 I CB 1.822 39.866 38.000 0.073 0.000 1.332 221 I HN -0.044 8.241 8.210 0.125 0.000 0.458 222 P HA 0.084 nan 4.420 nan 0.000 0.274 222 P C -1.435 175.991 177.300 0.211 0.000 1.231 222 P CA -0.864 62.347 63.100 0.186 0.000 0.790 222 P CB 0.601 32.410 31.700 0.182 0.000 0.951 223 F N 4.213 124.204 119.950 0.068 0.000 2.541 223 F HA 0.022 nan 4.527 nan 0.000 0.351 223 F C -0.690 174.987 175.800 -0.204 0.000 1.209 223 F CA -1.380 56.580 58.000 -0.066 0.000 1.277 223 F CB -0.215 38.712 39.000 -0.120 0.000 1.632 223 F HN -0.109 8.310 8.300 0.324 0.075 0.619 224 H N 6.025 124.942 119.070 -0.255 0.000 2.363 224 H HA -0.182 nan 4.556 nan 0.000 0.301 224 H C -0.776 174.328 175.328 -0.374 0.000 1.074 224 H CA 2.420 58.427 56.048 -0.068 0.000 1.354 224 H CB 0.713 30.515 29.762 0.066 0.000 1.397 224 H HN -0.480 7.764 8.280 0.024 0.050 0.516 225 N N -2.427 115.997 118.700 -0.460 0.000 2.426 225 N HA -0.059 nan 4.740 nan 0.000 0.275 225 N C 1.163 176.213 175.510 -0.767 0.000 1.019 225 N CA -1.116 51.736 53.050 -0.331 0.000 0.941 225 N CB 0.346 38.745 38.487 -0.147 0.000 1.123 225 N HN -0.416 7.580 8.380 -0.640 0.000 0.486 226 F N 5.106 124.831 119.950 -0.374 0.000 2.234 226 F HA -0.260 nan 4.527 nan 0.000 0.299 226 F C 0.955 176.757 175.800 0.002 0.000 1.087 226 F CA 3.043 61.002 58.000 -0.068 0.000 1.340 226 F CB 0.187 39.180 39.000 -0.012 0.000 1.031 226 F HN 0.665 9.178 8.300 0.355 0.000 0.500 227 D N -3.267 117.181 120.400 0.079 0.000 2.144 227 D HA -0.186 nan 4.640 nan 0.000 0.200 227 D C 1.019 177.324 176.300 0.009 0.000 0.978 227 D CA 2.241 56.260 54.000 0.033 0.000 0.833 227 D CB 0.002 40.803 40.800 0.003 0.000 0.961 227 D HN 0.131 8.899 8.370 0.078 -0.351 0.470 228 E N -0.159 120.016 120.200 -0.042 0.000 2.413 228 E HA 0.023 nan 4.350 nan 0.000 0.263 228 E C -1.805 174.857 176.600 0.102 0.000 1.015 228 E CA -1.076 55.321 56.400 -0.005 0.000 0.916 228 E CB -0.867 28.796 29.700 -0.062 0.000 0.947 228 E HN -0.828 7.416 8.360 -0.150 0.027 0.440 229 P HA 0.156 nan 4.420 nan 0.000 0.275 229 P C -1.474 175.887 177.300 0.101 0.000 1.228 229 P CA -0.235 62.886 63.100 0.035 0.000 0.786 229 P CB 0.634 32.300 31.700 -0.057 0.000 0.927 230 L N 1.258 122.537 121.223 0.094 0.000 2.399 230 L HA 0.171 nan 4.340 nan 0.000 0.265 230 L C -0.047 176.883 176.870 0.101 0.000 1.089 230 L CA -0.571 54.325 54.840 0.093 0.000 0.802 230 L CB 0.787 42.862 42.059 0.028 0.000 1.180 230 L HN 0.148 8.328 8.230 0.078 0.097 0.454 231 E N 0.622 120.887 120.200 0.107 0.000 2.366 231 E HA -0.029 nan 4.350 nan 0.000 0.266 231 E C 0.035 176.721 176.600 0.143 0.000 1.051 231 E CA 0.060 56.533 56.400 0.122 0.000 0.884 231 E CB 0.802 30.580 29.700 0.129 0.000 1.006 231 E HN 0.154 8.575 8.360 0.100 0.000 0.417 232 G N 0.063 108.958 108.800 0.157 0.000 2.476 232 G HA2 0.144 nan 3.960 nan 0.000 0.286 232 G HA3 0.144 nan 3.960 nan 0.000 0.286 232 G C -2.036 173.005 174.900 0.236 0.000 1.177 232 G CA -0.388 44.815 45.100 0.171 0.000 0.870 232 G HN -0.039 8.338 8.290 0.145 0.000 0.528 233 Y N 1.496 121.840 120.300 0.074 0.000 2.441 233 Y HA 0.084 nan 4.550 nan 0.000 0.334 233 Y C -2.282 173.650 175.900 0.052 0.000 1.061 233 Y CA -0.250 57.896 58.100 0.077 0.000 1.032 233 Y CB 3.683 42.188 38.460 0.075 0.000 1.266 233 Y HN 0.116 8.506 8.280 0.183 0.000 0.441 234 A N 7.969 130.350 122.820 -0.731 0.000 2.291 234 A HA 0.506 nan 4.320 nan 0.000 0.311 234 A C -1.846 175.257 177.584 -0.801 0.000 1.224 234 A CA -3.556 48.132 52.037 -0.583 0.000 0.821 234 A CB 0.687 19.399 19.000 -0.480 0.000 1.172 234 A HN 0.477 8.091 8.150 -0.893 0.000 0.494 235 P HA -0.115 nan 4.420 nan 0.000 0.220 235 P C -0.817 176.541 177.300 0.097 0.000 1.152 235 P CA 0.977 64.046 63.100 -0.052 0.000 0.812 235 P CB 0.369 32.149 31.700 0.132 0.000 0.792 236 H N -6.106 112.960 119.070 -0.007 0.000 2.756 236 H HA -0.333 nan 4.556 nan 0.000 0.315 236 H C -1.718 173.659 175.328 0.082 0.000 1.210 236 H CA 0.365 56.434 56.048 0.034 0.000 1.150 236 H CB -1.998 27.781 29.762 0.027 0.000 1.463 236 H HN 0.261 8.331 8.280 -0.351 0.000 0.427 237 L N -3.113 118.227 121.223 0.195 0.000 2.346 237 L HA 0.562 nan 4.340 nan 0.000 0.274 237 L C -0.505 176.491 176.870 0.210 0.000 1.007 237 L CA -0.868 54.109 54.840 0.228 0.000 0.818 237 L CB 2.519 44.776 42.059 0.329 0.000 1.284 237 L HN -0.378 7.954 8.230 0.170 0.000 0.424 238 T N -1.618 113.029 114.554 0.156 0.000 2.940 238 T HA 0.573 nan 4.350 nan 0.000 0.288 238 T C -0.331 174.410 174.700 0.069 0.000 1.033 238 T CA -2.225 59.928 62.100 0.089 0.000 1.033 238 T CB 2.158 71.071 68.868 0.074 0.000 1.079 238 T HN 0.316 8.653 8.240 0.161 0.000 0.496 239 S N 1.803 117.502 115.700 -0.001 0.000 2.520 239 S HA 0.414 nan 4.470 nan 0.000 0.324 239 S C 1.531 176.153 174.600 0.036 0.000 1.069 239 S CA -1.990 56.213 58.200 0.004 0.000 1.121 239 S CB 0.641 63.790 63.200 -0.086 0.000 0.971 239 S HN 0.472 8.678 8.310 -0.020 0.092 0.463 240 L N 2.434 123.702 121.223 0.076 0.000 2.261 240 L HA -0.196 nan 4.340 nan 0.000 0.216 240 L C 0.569 177.477 176.870 0.064 0.000 1.114 240 L CA 2.415 57.297 54.840 0.069 0.000 0.777 240 L CB -0.654 41.455 42.059 0.082 0.000 0.910 240 L HN -0.136 8.315 8.230 0.104 -0.159 0.440 241 V N -6.266 113.696 119.914 0.079 0.000 2.287 241 V HA -0.255 nan 4.120 nan 0.000 0.248 241 V C 0.724 176.847 176.094 0.047 0.000 1.053 241 V CA 1.678 64.025 62.300 0.078 0.000 1.027 241 V CB -0.182 31.703 31.823 0.103 0.000 0.646 241 V HN -0.030 8.158 8.190 0.092 0.057 0.447 242 S N 0.312 116.030 115.700 0.030 0.000 2.855 242 S HA 0.308 nan 4.470 nan 0.000 0.308 242 S C 0.386 174.992 174.600 0.009 0.000 1.077 242 S CA -0.838 57.372 58.200 0.016 0.000 0.896 242 S CB 1.613 64.816 63.200 0.006 0.000 1.339 242 S HN -0.688 7.596 8.310 0.028 0.043 0.602 243 G N 0.306 109.107 108.800 0.001 0.000 2.887 243 G HA2 0.142 nan 3.960 nan 0.000 0.211 243 G HA3 0.142 nan 3.960 nan 0.000 0.211 243 G C -0.061 174.834 174.900 -0.009 0.000 1.152 243 G CA 0.264 45.364 45.100 0.000 0.000 0.769 243 G HN 0.079 8.368 8.290 -0.000 0.000 0.541 244 L N -0.337 120.872 121.223 -0.023 0.000 2.468 244 L HA 0.201 nan 4.340 nan 0.000 0.254 244 L C -1.163 175.664 176.870 -0.071 0.000 1.171 244 L CA -0.095 54.719 54.840 -0.042 0.000 0.809 244 L CB 1.437 43.468 42.059 -0.046 0.000 1.155 244 L HN -0.358 7.780 8.230 -0.020 0.079 0.473 245 Q N -3.945 115.803 119.800 -0.086 0.000 2.605 245 Q HA 0.331 nan 4.340 nan 0.000 0.296 245 Q C -1.597 174.320 176.000 -0.138 0.000 1.056 245 Q CA -1.883 53.864 55.803 -0.094 0.000 0.778 245 Q CB 3.210 31.950 28.738 0.004 0.000 1.497 245 Q HN -0.183 8.046 8.270 -0.069 0.000 0.443 246 Y N -0.411 119.901 120.300 0.020 0.000 2.442 246 Y HA -0.217 nan 4.550 nan 0.000 0.330 246 Y C -0.301 175.604 175.900 0.008 0.000 1.129 246 Y CA 0.775 58.891 58.100 0.026 0.000 1.365 246 Y CB 0.426 38.910 38.460 0.040 0.000 1.233 246 Y HN -0.452 7.920 8.280 0.154 0.000 0.529 247 A N 5.435 128.342 122.820 0.145 0.000 2.425 247 A HA 0.071 nan 4.320 nan 0.000 0.249 247 A C -1.244 176.384 177.584 0.072 0.000 1.084 247 A CA -0.267 51.814 52.037 0.073 0.000 0.781 247 A CB 0.772 19.807 19.000 0.058 0.000 1.019 247 A HN -0.250 7.985 8.150 0.142 0.000 0.490 248 S N 0.993 116.696 115.700 0.005 0.000 2.632 248 S HA 0.319 nan 4.470 nan 0.000 0.267 248 S C -0.576 174.031 174.600 0.012 0.000 1.276 248 S CA -0.633 57.555 58.200 -0.021 0.000 0.998 248 S CB 1.208 64.339 63.200 -0.114 0.000 0.953 248 S HN -0.028 8.270 8.310 -0.020 0.000 0.547 249 R N 0.438 120.962 120.500 0.039 0.000 2.439 249 R HA 0.579 nan 4.340 nan 0.000 0.310 249 R C -2.332 174.014 176.300 0.077 0.000 0.955 249 R CA -3.351 52.789 56.100 0.067 0.000 0.853 249 R CB 2.514 32.880 30.300 0.110 0.000 1.171 249 R HN 0.276 8.567 8.270 0.036 0.000 0.449 250 P HA 0.144 nan 4.420 nan 0.000 0.278 250 P C -1.234 176.188 177.300 0.203 0.000 1.258 250 P CA -0.928 62.238 63.100 0.109 0.000 0.811 250 P CB 0.667 32.410 31.700 0.072 0.000 1.063 251 E N -1.599 118.717 120.200 0.193 0.000 2.376 251 E HA -0.168 nan 4.350 nan 0.000 0.254 251 E C 0.528 177.256 176.600 0.213 0.000 1.213 251 E CA -0.687 55.823 56.400 0.184 0.000 0.945 251 E CB 0.207 29.980 29.700 0.122 0.000 1.057 251 E HN -0.162 8.292 8.360 0.158 0.000 0.479 252 G N -0.723 108.114 108.800 0.060 0.000 2.149 252 G HA2 -0.422 nan 3.960 nan 0.000 0.235 252 G HA3 -0.422 nan 3.960 nan 0.000 0.235 252 G C -1.541 172.986 174.900 -0.622 0.000 1.018 252 G CA 0.216 45.216 45.100 -0.167 0.000 0.728 252 G HN 0.172 8.508 8.290 0.077 0.000 0.508 253 Y N -0.605 119.742 120.300 0.078 0.000 2.341 253 Y HA 0.157 nan 4.550 nan 0.000 0.338 253 Y C -1.216 174.712 175.900 0.047 0.000 0.965 253 Y CA -1.836 56.321 58.100 0.094 0.000 1.108 253 Y CB 1.795 40.345 38.460 0.149 0.000 1.180 253 Y HN -0.878 7.448 8.280 0.077 0.000 0.458 254 S N 2.029 117.684 115.700 -0.076 0.000 2.652 254 S HA 0.296 nan 4.470 nan 0.000 0.270 254 S C -1.432 173.045 174.600 -0.204 0.000 1.243 254 S CA -1.623 56.522 58.200 -0.093 0.000 0.999 254 S CB 1.305 64.431 63.200 -0.124 0.000 0.973 254 S HN 0.342 8.561 8.310 -0.152 0.000 0.544 255 I N 1.333 121.837 120.570 -0.110 0.000 2.529 255 I HA -0.121 nan 4.170 nan 0.000 0.284 255 I C -1.619 174.390 176.117 -0.180 0.000 1.082 255 I CA -0.261 60.997 61.300 -0.071 0.000 1.406 255 I CB 0.648 38.658 38.000 0.018 0.000 1.405 255 I HN 0.039 8.237 8.210 -0.020 0.000 0.548 256 H N 6.842 125.948 119.070 0.061 0.000 2.670 256 H HA 0.250 nan 4.556 nan 0.000 0.361 256 H C -1.212 174.127 175.328 0.018 0.000 1.169 256 H CA -1.400 54.676 56.048 0.046 0.000 1.198 256 H CB 2.298 32.091 29.762 0.052 0.000 1.700 256 H HN 0.231 8.612 8.280 0.169 0.000 0.542 257 D N 0.601 121.077 120.400 0.125 0.000 2.399 257 D HA 0.174 nan 4.640 nan 0.000 0.241 257 D C -0.574 175.754 176.300 0.046 0.000 1.133 257 D CA 0.638 54.660 54.000 0.036 0.000 0.890 257 D CB 0.630 41.428 40.800 -0.004 0.000 1.201 257 D HN 0.132 8.589 8.370 0.145 0.000 0.432 258 L N 0.747 121.977 121.223 0.012 0.000 2.304 258 L HA 0.335 nan 4.340 nan 0.000 0.268 258 L C 0.142 177.014 176.870 0.003 0.000 1.010 258 L CA -1.376 53.483 54.840 0.031 0.000 0.813 258 L CB 2.423 44.527 42.059 0.075 0.000 1.315 258 L HN 0.649 8.861 8.230 -0.029 0.000 0.445 259 S N 0.467 116.179 115.700 0.021 0.000 2.368 259 S HA -0.258 nan 4.470 nan 0.000 0.225 259 S C 0.921 175.527 174.600 0.010 0.000 1.030 259 S CA 3.331 61.537 58.200 0.011 0.000 0.999 259 S CB 0.177 63.390 63.200 0.021 0.000 0.844 259 S HN 1.046 9.378 8.310 0.037 0.000 0.459 260 D N -1.715 118.720 120.400 0.058 0.000 2.117 260 D HA -0.046 nan 4.640 nan 0.000 0.198 260 D C -0.971 175.230 176.300 -0.165 0.000 0.982 260 D CA 1.763 55.815 54.000 0.088 0.000 0.828 260 D CB 0.541 41.595 40.800 0.423 0.000 0.967 260 D HN 0.139 8.569 8.370 0.095 -0.003 0.464 261 V N -2.577 117.170 119.914 -0.278 0.000 2.851 261 V HA 0.196 nan 4.120 nan 0.000 0.307 261 V C -2.175 173.748 176.094 -0.285 0.000 1.129 261 V CA -1.440 60.583 62.300 -0.463 0.000 0.932 261 V CB 3.930 35.153 31.823 -0.999 0.000 1.024 261 V HN -0.578 7.429 8.190 -0.143 0.097 0.426 262 D N 4.072 124.300 120.400 -0.286 0.000 2.312 262 D HA 0.134 nan 4.640 nan 0.000 0.252 262 D C 1.160 177.290 176.300 -0.283 0.000 1.150 262 D CA -0.268 53.593 54.000 -0.232 0.000 0.870 262 D CB 0.795 41.473 40.800 -0.204 0.000 1.153 262 D HN -0.037 8.142 8.370 -0.317 0.000 0.457 263 V N 3.618 123.423 119.914 -0.182 0.000 2.428 263 V HA -0.490 nan 4.120 nan 0.000 0.255 263 V C 1.545 177.457 176.094 -0.304 0.000 1.080 263 V CA 3.939 66.147 62.300 -0.152 0.000 1.083 263 V CB -0.888 30.909 31.823 -0.042 0.000 0.665 263 V HN 0.548 8.927 8.190 -0.123 -0.263 0.461 264 Q N -1.931 117.677 119.800 -0.321 0.000 2.432 264 Q HA -0.221 nan 4.340 nan 0.000 0.205 264 Q C 2.134 177.830 176.000 -0.507 0.000 0.945 264 Q CA 2.528 58.101 55.803 -0.384 0.000 0.924 264 Q CB -0.401 28.171 28.738 -0.275 0.000 1.016 264 Q HN -0.138 8.075 8.270 -0.268 -0.103 0.503 265 D N 2.053 122.074 120.400 -0.631 0.000 2.144 265 D HA -0.252 nan 4.640 nan 0.000 0.200 265 D C 2.101 177.462 176.300 -1.565 0.000 0.978 265 D CA 3.544 56.900 54.000 -1.073 0.000 0.833 265 D CB -0.340 39.800 40.800 -1.099 0.000 0.961 265 D HN -0.118 8.081 8.370 -0.518 -0.139 0.470 266 M N -0.586 118.441 119.600 -0.954 0.000 2.073 266 M HA -0.378 nan 4.480 nan 0.000 0.258 266 M C 2.305 178.416 176.300 -0.315 0.000 1.070 266 M CA 3.573 58.694 55.300 -0.298 0.000 1.103 266 M CB -0.550 32.041 32.600 -0.015 0.000 1.321 266 M HN -0.679 7.154 8.290 -0.762 0.000 0.405 267 V N -1.555 118.006 119.914 -0.588 0.000 2.392 267 V HA -0.483 nan 4.120 nan 0.000 0.249 267 V C 2.212 178.096 176.094 -0.349 0.000 1.059 267 V CA 4.243 66.202 62.300 -0.569 0.000 1.051 267 V CB -1.387 30.064 31.823 -0.619 0.000 0.658 267 V HN 0.072 7.831 8.190 -0.629 0.054 0.455 268 R N -0.579 119.663 120.500 -0.429 0.000 2.070 268 R HA -0.350 nan 4.340 nan 0.000 0.232 268 R C 2.269 178.447 176.300 -0.203 0.000 1.138 268 R CA 3.564 59.452 56.100 -0.354 0.000 0.936 268 R CB -0.217 29.792 30.300 -0.485 0.000 0.839 268 R HN 0.126 7.849 8.270 -0.564 0.209 0.429 269 W N -1.785 119.443 121.300 -0.120 0.000 2.318 269 W HA -0.277 nan 4.660 nan 0.000 0.313 269 W C 2.379 178.889 176.519 -0.015 0.000 1.221 269 W CA 1.910 59.206 57.345 -0.082 0.000 1.266 269 W CB -0.849 28.618 29.460 0.011 0.000 1.150 269 W HN 0.266 8.059 8.180 -0.644 0.000 0.496 270 R N -1.675 118.966 120.500 0.235 0.000 2.148 270 R HA -0.290 nan 4.340 nan 0.000 0.223 270 R C 2.298 178.651 176.300 0.088 0.000 1.088 270 R CA 2.590 58.802 56.100 0.187 0.000 0.985 270 R CB -0.520 29.960 30.300 0.300 0.000 0.880 270 R HN -0.340 8.047 8.270 0.195 0.000 0.451 271 E N -0.304 119.915 120.200 0.031 0.000 2.077 271 E HA -0.299 nan 4.350 nan 0.000 0.193 271 E C 2.501 179.121 176.600 0.034 0.000 0.989 271 E CA 2.806 59.214 56.400 0.013 0.000 0.800 271 E CB -0.702 28.984 29.700 -0.023 0.000 0.746 271 E HN -0.615 7.742 8.360 -0.004 0.000 0.452 272 R N -1.036 119.483 120.500 0.031 0.000 2.081 272 R HA -0.269 nan 4.340 nan 0.000 0.235 272 R C 2.731 179.142 176.300 0.185 0.000 1.131 272 R CA 3.194 59.319 56.100 0.042 0.000 0.960 272 R CB -0.117 30.038 30.300 -0.242 0.000 0.856 272 R HN -0.376 7.820 8.270 0.012 0.081 0.436 273 I N -0.481 120.195 120.570 0.177 0.000 2.226 273 I HA -0.465 nan 4.170 nan 0.000 0.245 273 I C 1.747 177.873 176.117 0.015 0.000 1.100 273 I CA 3.773 65.135 61.300 0.104 0.000 1.374 273 I CB -0.195 37.808 38.000 0.005 0.000 1.057 273 I HN -0.065 8.127 8.210 0.146 0.106 0.413 274 L N -1.224 120.001 121.223 0.005 0.000 2.083 274 L HA -0.488 nan 4.340 nan 0.000 0.209 274 L C 1.981 178.834 176.870 -0.029 0.000 1.083 274 L CA 3.215 58.037 54.840 -0.030 0.000 0.752 274 L CB -0.811 41.238 42.059 -0.017 0.000 0.899 274 L HN -0.587 7.582 8.230 0.026 0.077 0.433 275 D N -0.631 119.773 120.400 0.007 0.000 2.117 275 D HA -0.303 nan 4.640 nan 0.000 0.197 275 D C 1.521 177.776 176.300 -0.076 0.000 0.987 275 D CA 3.263 57.256 54.000 -0.011 0.000 0.829 275 D CB -0.114 40.709 40.800 0.040 0.000 0.961 275 D HN -0.378 7.907 8.370 0.042 0.110 0.460 276 A N -1.628 121.171 122.820 -0.036 0.000 2.066 276 A HA -0.110 nan 4.320 nan 0.000 0.218 276 A C 2.415 179.900 177.584 -0.166 0.000 1.157 276 A CA 2.478 54.442 52.037 -0.121 0.000 0.670 276 A CB -0.516 18.530 19.000 0.076 0.000 0.804 276 A HN -0.629 7.460 8.150 0.057 0.095 0.453 277 I N -1.543 118.949 120.570 -0.130 0.000 2.163 277 I HA -0.623 nan 4.170 nan 0.000 0.240 277 I C 2.454 178.376 176.117 -0.325 0.000 1.081 277 I CA 4.054 65.266 61.300 -0.147 0.000 1.353 277 I CB -0.304 37.641 38.000 -0.092 0.000 1.054 277 I HN -0.339 7.706 8.210 -0.094 0.109 0.407 278 N N 0.841 119.407 118.700 -0.224 0.000 2.013 278 N HA -0.331 nan 4.740 nan 0.000 0.195 278 N C 2.087 177.530 175.510 -0.110 0.000 1.051 278 N CA 3.117 56.063 53.050 -0.174 0.000 0.851 278 N CB -0.209 38.226 38.487 -0.086 0.000 1.044 278 N HN -0.585 7.701 8.380 -0.156 0.000 0.422 279 M N -3.303 116.209 119.600 -0.147 0.000 2.706 279 M HA -0.271 nan 4.480 nan 0.000 0.251 279 M C -0.621 175.654 176.300 -0.043 0.000 1.070 279 M CA 1.989 57.209 55.300 -0.134 0.000 1.073 279 M CB -0.287 32.049 32.600 -0.440 0.000 1.449 279 M HN 0.041 8.219 8.290 -0.187 0.000 0.531 280 H N -6.680 112.306 119.070 -0.140 0.000 3.047 280 H HA -0.416 nan 4.556 nan 0.000 0.263 280 H C -1.586 173.796 175.328 0.090 0.000 1.168 280 H CA 1.797 57.832 56.048 -0.022 0.000 1.152 280 H CB -2.462 27.299 29.762 -0.002 0.000 1.278 280 H HN -0.363 7.534 8.280 -0.272 0.220 0.339 281 Y N -7.999 112.375 120.300 0.124 0.000 2.597 281 Y HA 0.803 nan 4.550 nan 0.000 0.340 281 Y C -2.895 173.077 175.900 0.120 0.000 1.097 281 Y CA -2.648 55.519 58.100 0.112 0.000 1.037 281 Y CB 2.848 41.366 38.460 0.096 0.000 1.305 281 Y HN -0.763 7.226 8.280 -0.425 0.036 0.463 282 I N -4.463 116.321 120.570 0.357 0.000 2.846 282 I HA 0.704 nan 4.170 nan 0.000 0.307 282 I C -1.556 174.823 176.117 0.437 0.000 1.053 282 I CA -2.510 59.002 61.300 0.353 0.000 1.050 282 I CB 4.149 42.248 38.000 0.165 0.000 1.239 282 I HN 0.461 8.880 8.210 0.348 0.000 0.439 283 V N -2.438 117.751 119.914 0.458 0.000 2.427 283 V HA 0.472 nan 4.120 nan 0.000 0.286 283 V C -0.619 175.609 176.094 0.223 0.000 1.034 283 V CA -2.152 60.294 62.300 0.245 0.000 0.893 283 V CB 0.099 31.952 31.823 0.050 0.000 0.982 283 V HN -0.061 8.528 8.190 0.665 0.000 0.452 284 D N 5.488 125.967 120.400 0.132 0.000 2.433 284 D HA 0.283 nan 4.640 nan 0.000 0.255 284 D C 1.951 178.291 176.300 0.067 0.000 1.226 284 D CA -1.060 53.007 54.000 0.112 0.000 1.015 284 D CB 1.546 42.389 40.800 0.071 0.000 1.091 284 D HN 0.559 8.880 8.370 0.096 0.107 0.527 285 K N 0.651 121.089 120.400 0.063 0.000 2.097 285 K HA -0.295 nan 4.320 nan 0.000 0.206 285 K C 0.925 177.534 176.600 0.015 0.000 1.049 285 K CA 2.894 59.205 56.287 0.039 0.000 0.933 285 K CB -0.540 31.986 32.500 0.043 0.000 0.717 285 K HN 0.140 8.436 8.250 0.077 0.000 0.442 286 D N -5.422 114.987 120.400 0.016 0.000 2.350 286 D HA -0.144 nan 4.640 nan 0.000 0.216 286 D C -0.157 176.138 176.300 -0.009 0.000 0.968 286 D CA 0.130 54.132 54.000 0.004 0.000 0.894 286 D CB -1.052 39.752 40.800 0.006 0.000 0.909 286 D HN -0.306 8.052 8.370 0.026 0.029 0.520 287 N N -3.094 115.598 118.700 -0.013 0.000 2.901 287 N HA -0.462 nan 4.740 nan 0.000 0.248 287 N C -1.353 174.139 175.510 -0.031 0.000 1.044 287 N CA 1.228 54.258 53.050 -0.034 0.000 0.847 287 N CB -1.495 36.965 38.487 -0.045 0.000 1.127 287 N HN 0.107 8.260 8.380 -0.000 0.226 0.562 288 N N -0.884 117.808 118.700 -0.013 0.000 2.463 288 N HA 0.133 nan 4.740 nan 0.000 0.270 288 N C -1.305 174.200 175.510 -0.008 0.000 1.205 288 N CA 0.134 53.171 53.050 -0.021 0.000 0.974 288 N CB 1.716 40.197 38.487 -0.010 0.000 1.197 288 N HN 0.024 8.720 8.380 0.003 -0.314 0.504 289 K N 0.410 120.784 120.400 -0.043 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.011 175.610 176.600 0.035 0.000 0.957 289 K CA -0.875 55.403 56.287 -0.014 0.000 0.842 289 K CB 1.342 33.687 32.500 -0.258 0.000 1.099 289 K HN 0.022 8.232 8.250 -0.067 0.000 0.438 290 I N -0.809 119.830 120.570 0.115 0.000 2.474 290 I HA 0.620 nan 4.170 nan 0.000 0.294 290 I C -2.381 173.825 176.117 0.148 0.000 1.005 290 I CA -3.539 57.812 61.300 0.086 0.000 1.113 290 I CB 2.203 40.231 38.000 0.046 0.000 1.289 290 I HN 0.569 8.889 8.210 0.183 0.000 0.436 291 P HA 0.276 nan 4.420 nan 0.000 0.275 291 P C -1.567 175.849 177.300 0.193 0.000 1.228 291 P CA -0.397 62.813 63.100 0.184 0.000 0.786 291 P CB 0.457 32.247 31.700 0.151 0.000 0.927 292 L N 3.182 124.555 121.223 0.250 0.000 2.257 292 L HA 0.180 nan 4.340 nan 0.000 0.290 292 L C -0.455 176.653 176.870 0.396 0.000 1.044 292 L CA -0.265 54.762 54.840 0.312 0.000 0.810 292 L CB 0.159 42.452 42.059 0.389 0.000 1.193 292 L HN 0.142 8.533 8.230 0.267 0.000 0.425 293 D N 5.013 125.647 120.400 0.390 0.000 2.567 293 D HA 0.191 nan 4.640 nan 0.000 0.275 293 D C 0.980 177.583 176.300 0.504 0.000 1.195 293 D CA -1.053 53.182 54.000 0.391 0.000 1.087 293 D CB 1.793 42.774 40.800 0.302 0.000 1.165 293 D HN 0.022 8.611 8.370 0.366 0.000 0.609 294 I N -2.404 118.400 120.570 0.391 0.000 2.353 294 I HA -0.331 nan 4.170 nan 0.000 0.248 294 I C 1.396 177.567 176.117 0.090 0.000 1.119 294 I CA 2.465 63.911 61.300 0.244 0.000 1.417 294 I CB 0.076 38.200 38.000 0.207 0.000 1.078 294 I HN 0.091 8.492 8.210 0.318 0.000 0.421 295 E N -1.973 118.272 120.200 0.076 0.000 2.028 295 E HA -0.220 nan 4.350 nan 0.000 0.191 295 E C -0.237 176.287 176.600 -0.126 0.000 0.988 295 E CA 1.758 58.097 56.400 -0.101 0.000 0.799 295 E CB 0.562 30.087 29.700 -0.290 0.000 0.755 295 E HN -0.397 8.262 8.360 0.139 -0.216 0.447 296 H N -3.225 115.902 119.070 0.095 0.000 2.495 296 H HA 0.166 nan 4.556 nan 0.000 0.348 296 H C -1.253 174.139 175.328 0.106 0.000 1.113 296 H CA -1.389 54.706 56.048 0.078 0.000 1.195 296 H CB 1.550 31.357 29.762 0.075 0.000 1.521 296 H HN -0.357 8.539 8.280 0.329 -0.418 0.509 297 G N 1.199 110.085 108.800 0.143 0.000 4.103 297 G HA2 -0.097 nan 3.960 nan 0.000 0.123 297 G HA3 -0.097 nan 3.960 nan 0.000 0.123 297 G C 0.006 174.753 174.900 -0.256 0.000 1.189 297 G CA 1.723 46.808 45.100 -0.024 0.000 1.111 297 G HN 0.163 8.514 8.290 0.102 0.000 0.399 298 T N 5.005 119.426 114.554 -0.221 0.000 2.867 298 T HA -0.222 nan 4.350 nan 0.000 0.268 298 T C 1.015 175.758 174.700 0.072 0.000 1.057 298 T CA 4.652 66.696 62.100 -0.093 0.000 1.136 298 T CB -0.619 68.133 68.868 -0.194 0.000 0.874 298 T HN 0.333 8.487 8.240 -0.143 0.000 0.466 299 D N 0.129 120.559 120.400 0.050 0.000 2.108 299 D HA -0.287 nan 4.640 nan 0.000 0.190 299 D C 1.141 177.500 176.300 0.097 0.000 0.995 299 D CA 3.286 57.342 54.000 0.094 0.000 0.834 299 D CB -0.589 40.261 40.800 0.084 0.000 0.967 299 D HN 0.299 8.677 8.370 0.014 0.000 0.446 300 I N -5.749 114.860 120.570 0.065 0.000 2.830 300 I HA -0.061 nan 4.170 nan 0.000 0.263 300 I C 1.631 177.732 176.117 -0.026 0.000 1.230 300 I CA 2.195 63.513 61.300 0.031 0.000 1.480 300 I CB -0.162 37.854 38.000 0.026 0.000 1.095 300 I HN -0.630 7.620 8.210 0.067 0.000 0.455 301 L N 1.459 122.661 121.223 -0.036 0.000 2.044 301 L HA -0.163 nan 4.340 nan 0.000 0.205 301 L C 1.588 178.497 176.870 0.065 0.000 1.075 301 L CA 2.575 57.380 54.840 -0.058 0.000 0.747 301 L CB -0.595 41.396 42.059 -0.113 0.000 0.903 301 L HN 0.338 8.424 8.230 -0.041 0.119 0.435 302 G N -2.521 106.411 108.800 0.221 0.000 2.418 302 G HA2 -0.485 nan 3.960 nan 0.000 0.217 302 G HA3 -0.485 nan 3.960 nan 0.000 0.217 302 G C 0.786 175.647 174.900 -0.065 0.000 1.158 302 G CA 2.720 47.934 45.100 0.189 0.000 0.771 302 G HN 0.113 8.486 8.290 0.258 0.072 0.545 303 D N 0.898 121.299 120.400 0.002 0.000 2.144 303 D HA -0.322 nan 4.640 nan 0.000 0.199 303 D C 2.247 178.522 176.300 -0.042 0.000 0.984 303 D CA 2.858 56.849 54.000 -0.014 0.000 0.834 303 D CB -0.497 40.327 40.800 0.039 0.000 0.955 303 D HN -0.302 8.099 8.370 0.050 0.000 0.465 304 I N -0.639 119.906 120.570 -0.043 0.000 2.286 304 I HA -0.382 nan 4.170 nan 0.000 0.245 304 I C 2.279 178.355 176.117 -0.068 0.000 1.104 304 I CA 3.147 64.418 61.300 -0.048 0.000 1.397 304 I CB 0.188 38.137 38.000 -0.084 0.000 1.072 304 I HN -0.954 7.237 8.210 -0.032 0.000 0.417 305 I N -3.617 116.903 120.570 -0.083 0.000 2.193 305 I HA -0.234 nan 4.170 nan 0.000 0.240 305 I C 1.147 177.197 176.117 -0.111 0.000 1.084 305 I CA 3.005 64.271 61.300 -0.057 0.000 1.365 305 I CB 0.214 38.235 38.000 0.035 0.000 1.064 305 I HN 0.078 8.243 8.210 -0.076 0.000 0.410 306 E N 2.110 122.134 120.200 -0.293 0.000 2.280 306 E HA 0.142 nan 4.350 nan 0.000 0.279 306 E C -2.043 174.473 176.600 -0.140 0.000 1.325 306 E CA -1.209 55.016 56.400 -0.291 0.000 1.486 306 E CB -0.831 28.436 29.700 -0.722 0.000 1.466 306 E HN -0.068 7.970 8.360 -0.356 0.108 0.473 307 S N 0.304 115.956 115.700 -0.081 0.000 2.546 307 S HA 0.216 nan 4.470 nan 0.000 0.272 307 S C -1.028 173.546 174.600 -0.042 0.000 1.140 307 S CA -0.420 57.758 58.200 -0.036 0.000 0.920 307 S CB 2.483 65.680 63.200 -0.006 0.000 1.083 307 S HN -0.568 7.623 8.310 -0.086 0.067 0.476 308 S N 3.165 118.846 115.700 -0.032 0.000 2.406 308 S HA -0.008 nan 4.470 nan 0.000 0.224 308 S C 0.517 175.109 174.600 -0.014 0.000 1.030 308 S CA 0.979 59.155 58.200 -0.040 0.000 0.958 308 S CB 0.730 63.907 63.200 -0.037 0.000 0.811 308 S HN 0.451 8.753 8.310 -0.014 0.000 0.489 309 D N 2.670 123.071 120.400 0.000 0.000 2.440 309 D HA 0.129 nan 4.640 nan 0.000 0.269 309 D C -0.357 175.950 176.300 0.011 0.000 1.249 309 D CA 0.437 54.440 54.000 0.005 0.000 1.055 309 D CB 1.162 41.962 40.800 -0.001 0.000 1.104 309 D HN -0.432 7.941 8.370 0.006 0.000 0.561 310 E N 0.517 120.723 120.200 0.011 0.000 2.606 310 E HA -0.134 nan 4.350 nan 0.000 0.248 310 E C -0.878 175.740 176.600 0.030 0.000 1.005 310 E CA 1.839 58.251 56.400 0.019 0.000 0.946 310 E CB -0.086 29.622 29.700 0.013 0.000 0.928 310 E HN 0.363 8.724 8.360 0.002 0.000 0.494 311 S N 2.489 118.212 115.700 0.038 0.000 2.806 311 S HA 0.317 nan 4.470 nan 0.000 0.306 311 S C -0.183 174.456 174.600 0.065 0.000 1.167 311 S CA -1.002 57.225 58.200 0.046 0.000 0.847 311 S CB 3.564 66.786 63.200 0.036 0.000 1.216 311 S HN -0.161 8.174 8.310 0.042 0.000 0.532 312 K N 0.868 121.313 120.400 0.074 0.000 2.009 312 K HA -0.224 nan 4.320 nan 0.000 0.210 312 K C -1.090 175.610 176.600 0.167 0.000 1.049 312 K CA 2.182 58.530 56.287 0.103 0.000 0.929 312 K CB 0.598 33.154 32.500 0.094 0.000 0.714 312 K HN 0.544 8.827 8.250 0.056 0.000 0.440 313 N N -4.521 114.330 118.700 0.252 0.000 2.655 313 N HA 0.126 nan 4.740 nan 0.000 0.277 313 N C 0.233 175.911 175.510 0.281 0.000 1.177 313 N CA -0.472 52.754 53.050 0.294 0.000 0.882 313 N CB 1.514 40.212 38.487 0.352 0.000 1.481 313 N HN -0.639 7.880 8.380 0.231 0.000 0.547 314 V N 0.506 120.502 119.914 0.136 0.000 2.500 314 V HA 0.119 nan 4.120 nan 0.000 0.243 314 V C 1.160 177.271 176.094 0.028 0.000 1.039 314 V CA 2.344 64.673 62.300 0.048 0.000 1.053 314 V CB -0.158 31.675 31.823 0.016 0.000 0.695 314 V HN 0.523 8.783 8.190 0.116 0.000 0.463 315 E N 0.852 121.102 120.200 0.084 0.000 2.338 315 E HA -0.360 nan 4.350 nan 0.000 0.197 315 E C 1.216 177.921 176.600 0.175 0.000 1.007 315 E CA 2.496 58.965 56.400 0.115 0.000 0.849 315 E CB -0.489 29.274 29.700 0.106 0.000 0.774 315 E HN -0.005 8.479 8.360 0.093 -0.068 0.506 316 Y N -0.775 119.519 120.300 -0.010 0.000 2.314 316 Y HA -0.085 nan 4.550 nan 0.000 0.294 316 Y C 0.489 176.350 175.900 -0.065 0.000 1.139 316 Y CA 2.094 60.142 58.100 -0.087 0.000 1.162 316 Y CB 2.165 40.450 38.460 -0.290 0.000 1.121 316 Y HN -0.544 8.073 8.280 0.191 -0.223 0.529 317 Y N -3.604 116.626 120.300 -0.117 0.000 2.490 317 Y HA -0.101 nan 4.550 nan 0.000 0.285 317 Y C 0.368 175.941 175.900 -0.544 0.000 1.117 317 Y CA 2.021 59.979 58.100 -0.238 0.000 1.262 317 Y CB 0.929 39.331 38.460 -0.097 0.000 1.043 317 Y HN -0.677 7.634 8.280 0.050 0.000 0.553 318 G N -0.861 107.559 108.800 -0.635 0.000 2.593 318 G HA2 -0.311 nan 3.960 nan 0.000 0.237 318 G HA3 -0.311 nan 3.960 nan 0.000 0.237 318 G C -1.920 172.534 174.900 -0.744 0.000 1.312 318 G CA -0.448 43.792 45.100 -1.434 0.000 0.896 318 G HN -0.310 7.691 8.290 -0.286 0.118 0.574 319 S N -1.281 114.006 115.700 -0.689 0.000 2.389 319 S HA 0.256 nan 4.470 nan 0.000 0.201 319 S C -0.342 174.360 174.600 0.170 0.000 1.422 319 S CA -0.899 57.205 58.200 -0.160 0.000 1.216 319 S CB 1.068 64.156 63.200 -0.188 0.000 1.130 319 S HN 0.003 7.565 8.310 -1.247 0.000 0.465 320 L N 4.838 126.236 121.223 0.293 0.000 1.994 320 L HA -0.317 nan 4.340 nan 0.000 0.208 320 L C 0.287 177.518 176.870 0.602 0.000 1.071 320 L CA 3.116 58.301 54.840 0.575 0.000 0.745 320 L CB -0.133 42.273 42.059 0.578 0.000 0.892 320 L HN 0.342 8.675 8.230 0.172 0.000 0.431 321 H N -0.917 118.427 119.070 0.457 0.000 2.293 321 H HA -0.355 nan 4.556 nan 0.000 0.300 321 H C 1.916 177.389 175.328 0.242 0.000 1.082 321 H CA 4.222 60.592 56.048 0.538 0.000 1.308 321 H CB -0.431 29.616 29.762 0.475 0.000 1.375 321 H HN 0.267 8.857 8.280 0.518 0.000 0.495 322 N N -0.310 118.546 118.700 0.260 0.000 2.120 322 N HA -0.332 nan 4.740 nan 0.000 0.188 322 N C 2.395 177.809 175.510 -0.160 0.000 1.024 322 N CA 2.969 56.070 53.050 0.085 0.000 0.852 322 N CB -1.016 37.503 38.487 0.055 0.000 1.003 322 N HN 0.056 8.628 8.380 0.320 0.000 0.424 323 W N -0.779 120.521 121.300 -0.001 0.000 2.374 323 W HA -0.205 nan 4.660 nan 0.000 0.288 323 W C 1.839 178.206 176.519 -0.253 0.000 1.218 323 W CA 2.856 60.185 57.345 -0.028 0.000 1.245 323 W CB -0.206 29.336 29.460 0.136 0.000 1.126 323 W HN -0.206 8.038 8.180 0.108 0.000 0.545 324 G N -1.998 106.577 108.800 -0.374 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.996 175.296 174.900 -0.999 0.000 1.158 324 G CA 2.238 46.647 45.100 -1.153 0.000 0.771 324 G HN 0.182 8.252 8.290 -0.214 0.091 0.545 325 H N 2.287 120.793 119.070 -0.940 0.000 2.353 325 H HA -0.212 nan 4.556 nan 0.000 0.300 325 H C 2.553 177.678 175.328 -0.337 0.000 1.090 325 H CA 3.958 59.556 56.048 -0.750 0.000 1.327 325 H CB 0.122 29.158 29.762 -1.209 0.000 1.383 325 H HN -0.629 7.098 8.280 -0.731 0.115 0.508 326 V N 0.141 120.028 119.914 -0.045 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.116 178.260 176.094 0.084 0.000 1.049 326 V CA 4.689 67.055 62.300 0.111 0.000 1.024 326 V CB -0.750 31.242 31.823 0.282 0.000 0.648 326 V HN -0.322 7.704 8.190 -0.088 0.112 0.447 327 M N -2.283 117.337 119.600 0.034 0.000 2.117 327 M HA -0.354 nan 4.480 nan 0.000 0.262 327 M C 1.955 178.216 176.300 -0.064 0.000 1.065 327 M CA 3.629 58.934 55.300 0.008 0.000 1.114 327 M CB -0.055 32.523 32.600 -0.038 0.000 1.361 327 M HN 0.042 8.231 8.290 0.009 0.106 0.408 328 M N -1.967 117.512 119.600 -0.201 0.000 2.175 328 M HA -0.203 nan 4.480 nan 0.000 0.264 328 M C 2.706 178.964 176.300 -0.070 0.000 1.063 328 M CA 2.727 57.907 55.300 -0.200 0.000 1.119 328 M CB 0.332 32.719 32.600 -0.354 0.000 1.377 328 M HN -0.369 7.736 8.290 -0.308 0.000 0.415 329 A N -1.206 121.594 122.820 -0.032 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.672 178.302 177.584 0.077 0.000 1.175 329 A CA 2.878 54.944 52.037 0.048 0.000 0.628 329 A CB -0.291 18.761 19.000 0.087 0.000 0.814 329 A HN 0.239 8.260 8.150 -0.064 0.090 0.444 330 N N -4.194 114.552 118.700 0.078 0.000 2.538 330 N HA 0.063 nan 4.740 nan 0.000 0.291 330 N C 0.134 175.701 175.510 0.096 0.000 1.323 330 N CA -1.729 51.380 53.050 0.099 0.000 0.934 330 N CB -0.829 37.728 38.487 0.117 0.000 1.255 330 N HN -0.450 7.971 8.380 0.068 0.000 0.509 331 I N 0.340 120.966 120.570 0.092 0.000 2.286 331 I HA -0.275 nan 4.170 nan 0.000 0.248 331 I C 0.312 176.496 176.117 0.113 0.000 1.115 331 I CA 2.194 63.576 61.300 0.137 0.000 1.392 331 I CB -0.086 37.994 38.000 0.133 0.000 1.065 331 I HN -0.756 7.412 8.210 0.072 0.086 0.418 332 T N -1.058 113.539 114.554 0.072 0.000 2.788 332 T HA -0.141 nan 4.350 nan 0.000 0.268 332 T C -0.246 174.488 174.700 0.056 0.000 1.044 332 T CA 2.226 64.347 62.100 0.035 0.000 1.139 332 T CB -0.154 68.739 68.868 0.040 0.000 0.867 332 T HN -0.020 8.234 8.240 0.079 0.033 0.454 333 D N -1.387 119.053 120.400 0.067 0.000 2.621 333 D HA 0.501 nan 4.640 nan 0.000 0.274 333 D C -0.849 175.461 176.300 0.017 0.000 1.215 333 D CA -2.903 51.118 54.000 0.035 0.000 0.810 333 D CB 0.348 41.193 40.800 0.075 0.000 1.248 333 D HN -0.852 7.472 8.370 0.080 0.094 0.517 334 P HA -0.262 nan 4.420 nan 0.000 0.216 334 P C 0.643 177.950 177.300 0.011 0.000 1.150 334 P CA 2.041 65.157 63.100 0.026 0.000 0.837 334 P CB 0.304 32.021 31.700 0.028 0.000 0.786 335 D N -3.205 117.156 120.400 -0.066 0.000 2.269 335 D HA -0.235 nan 4.640 nan 0.000 0.208 335 D C 0.391 176.685 176.300 -0.010 0.000 0.963 335 D CA 0.539 54.490 54.000 -0.081 0.000 0.864 335 D CB 0.199 40.878 40.800 -0.202 0.000 0.936 335 D HN -0.328 7.941 8.370 -0.131 0.023 0.505 336 H N -3.783 115.218 119.070 -0.115 0.000 3.179 336 H HA -0.326 nan 4.556 nan 0.000 0.250 336 H C -0.467 174.797 175.328 -0.108 0.000 1.142 336 H CA 1.055 57.060 56.048 -0.072 0.000 1.165 336 H CB -0.968 28.778 29.762 -0.028 0.000 1.253 336 H HN -0.269 8.001 8.280 -0.009 0.005 0.325 337 R N -3.001 117.344 120.500 -0.259 0.000 2.073 337 R HA -0.195 nan 4.340 nan 0.000 0.234 337 R C 1.019 177.174 176.300 -0.241 0.000 1.134 337 R CA 2.350 58.266 56.100 -0.308 0.000 0.952 337 R CB -0.197 29.824 30.300 -0.466 0.000 0.850 337 R HN -0.180 7.978 8.270 -0.296 -0.065 0.433 338 F N -0.583 119.286 119.950 -0.136 0.000 2.604 338 F HA -0.050 nan 4.527 nan 0.000 0.298 338 F C -0.005 175.679 175.800 -0.193 0.000 1.131 338 F CA -0.256 57.663 58.000 -0.135 0.000 1.457 338 F CB -0.173 38.761 39.000 -0.109 0.000 1.095 338 F HN -0.604 7.734 8.300 -0.530 -0.356 0.574 339 Q N -5.617 114.045 119.800 -0.231 0.000 2.463 339 Q HA -0.486 nan 4.340 nan 0.000 0.299 339 Q C -0.965 174.940 176.000 -0.158 0.000 1.353 339 Q CA 0.776 56.346 55.803 -0.388 0.000 0.828 339 Q CB -2.568 26.051 28.738 -0.199 0.000 1.157 339 Q HN -0.327 7.737 8.270 -0.350 -0.004 0.436 340 E N -0.964 119.182 120.200 -0.090 0.000 2.345 340 E HA -0.001 nan 4.350 nan 0.000 0.259 340 E C -1.071 175.554 176.600 0.042 0.000 1.117 340 E CA -0.351 56.050 56.400 0.002 0.000 0.913 340 E CB 1.168 30.897 29.700 0.049 0.000 1.057 340 E HN -0.537 7.906 8.360 -0.098 -0.142 0.432 341 N N 0.869 119.592 118.700 0.038 0.000 2.493 341 N HA 0.336 nan 4.740 nan 0.000 0.275 341 N C -2.073 173.487 175.510 0.085 0.000 1.186 341 N CA -1.991 51.088 53.050 0.048 0.000 0.978 341 N CB -0.416 38.044 38.487 -0.045 0.000 1.184 341 N HN 0.168 8.555 8.380 0.011 0.000 0.487 342 P HA 0.032 nan 4.420 nan 0.000 0.274 342 P C -0.789 176.655 177.300 0.240 0.000 1.256 342 P CA -0.455 62.735 63.100 0.151 0.000 0.795 342 P CB 0.894 32.673 31.700 0.132 0.000 1.038 343 G N -1.305 107.629 108.800 0.222 0.000 2.535 343 G HA2 0.197 nan 3.960 nan 0.000 0.282 343 G HA3 0.197 nan 3.960 nan 0.000 0.282 343 G C 0.570 175.611 174.900 0.235 0.000 1.350 343 G CA -1.607 43.641 45.100 0.246 0.000 1.039 343 G HN -0.274 8.006 8.290 0.162 0.107 0.509 344 V N -5.603 114.323 119.914 0.022 0.000 2.720 344 V HA -0.327 nan 4.120 nan 0.000 0.256 344 V C 1.858 177.954 176.094 0.002 0.000 1.082 344 V CA 2.819 64.987 62.300 -0.221 0.000 1.101 344 V CB -0.415 31.283 31.823 -0.207 0.000 0.693 344 V HN 0.550 8.781 8.190 0.068 0.000 0.479 345 M N 0.529 120.189 119.600 0.100 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.575 178.067 176.300 0.320 0.000 1.062 345 M CA 2.226 57.642 55.300 0.194 0.000 1.099 345 M CB -0.936 31.701 32.600 0.061 0.000 1.394 345 M HN -0.265 8.021 8.290 0.088 0.056 0.426 346 S N -0.634 115.215 115.700 0.249 0.000 2.447 346 S HA -0.281 nan 4.470 nan 0.000 0.233 346 S C -0.743 174.017 174.600 0.266 0.000 1.006 346 S CA 3.441 61.798 58.200 0.262 0.000 0.957 346 S CB 0.163 63.471 63.200 0.181 0.000 0.773 346 S HN -0.561 7.826 8.310 0.198 0.041 0.507 347 D N -2.541 118.014 120.400 0.259 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.385 176.091 176.300 0.293 0.000 1.036 347 D CA -1.126 53.020 54.000 0.242 0.000 0.848 347 D CB 2.937 43.878 40.800 0.235 0.000 1.307 347 D HN -0.652 7.711 8.370 0.221 0.140 0.469 348 T N 4.072 118.791 114.554 0.275 0.000 2.915 348 T HA -0.079 nan 4.350 nan 0.000 0.269 348 T C 2.204 177.237 174.700 0.555 0.000 1.071 348 T CA 3.689 66.028 62.100 0.399 0.000 1.132 348 T CB -0.235 68.632 68.868 -0.001 0.000 0.878 348 T HN 0.348 8.725 8.240 0.228 0.000 0.479 349 S N 1.484 117.465 115.700 0.468 0.000 2.371 349 S HA -0.177 nan 4.470 nan 0.000 0.224 349 S C 0.976 175.580 174.600 0.007 0.000 1.029 349 S CA 3.609 61.968 58.200 0.264 0.000 0.978 349 S CB 0.026 63.259 63.200 0.055 0.000 0.833 349 S HN -0.254 8.636 8.310 0.516 -0.270 0.466 350 T N -5.158 109.361 114.554 -0.059 0.000 3.035 350 T HA 0.229 nan 4.350 nan 0.000 0.259 350 T C 2.389 177.012 174.700 -0.128 0.000 1.078 350 T CA 1.341 63.321 62.100 -0.201 0.000 1.132 350 T CB -0.066 68.558 68.868 -0.406 0.000 0.900 350 T HN -0.139 8.115 8.240 0.022 0.000 0.480 351 S N 4.309 120.014 115.700 0.009 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.076 176.550 174.600 -0.209 0.000 1.025 351 S CA 3.600 61.839 58.200 0.066 0.000 0.993 351 S CB -1.142 62.315 63.200 0.429 0.000 0.808 351 S HN 0.159 8.544 8.310 0.125 0.000 0.478 352 L N 1.687 122.619 121.223 -0.486 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.687 178.328 176.870 -0.381 0.000 1.105 352 L CA 2.152 56.532 54.840 -0.767 0.000 0.775 352 L CB -0.763 40.932 42.059 -0.606 0.000 0.913 352 L HN -0.325 7.667 8.230 -0.345 0.032 0.440 353 R N -2.835 117.511 120.500 -0.256 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.024 176.064 176.300 -0.432 0.000 1.119 353 R CA 2.173 58.144 56.100 -0.215 0.000 0.970 353 R CB -0.335 29.900 30.300 -0.109 0.000 0.864 353 R HN -0.119 7.970 8.270 -0.238 0.039 0.440 354 D N 0.715 120.849 120.400 -0.442 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.781 175.366 176.300 -0.256 0.000 1.137 354 D CA -2.636 51.023 54.000 -0.568 0.000 0.879 354 D CB 0.795 41.459 40.800 -0.227 0.000 1.181 354 D HN -0.761 7.409 8.370 -0.286 0.029 0.448 355 P HA -0.029 nan 4.420 nan 0.000 0.223 355 P C 0.741 178.116 177.300 0.124 0.000 1.151 355 P CA 1.546 64.691 63.100 0.074 0.000 0.787 355 P CB 0.028 31.779 31.700 0.085 0.000 0.788 356 I N -5.130 115.456 120.570 0.027 0.000 2.454 356 I HA -0.411 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.122 176.117 -0.006 0.000 1.156 356 I CA 2.934 64.235 61.300 0.002 0.000 1.433 356 I CB -0.550 37.405 38.000 -0.076 0.000 1.082 356 I HN -0.577 7.878 8.210 -0.022 -0.257 0.432 357 F N 1.991 121.804 119.950 -0.229 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.139 176.807 175.800 -0.220 0.000 1.103 357 F CA 4.545 62.373 58.000 -0.286 0.000 1.228 357 F CB -0.041 38.589 39.000 -0.617 0.000 0.984 357 F HN -0.509 7.658 8.300 0.024 0.148 0.477 358 Y N -3.191 117.231 120.300 0.204 0.000 2.200 358 Y HA -0.425 nan 4.550 nan 0.000 0.290 358 Y C 2.088 178.031 175.900 0.073 0.000 1.137 358 Y CA 4.025 62.165 58.100 0.067 0.000 1.163 358 Y CB -0.673 37.601 38.460 -0.310 0.000 0.988 358 Y HN -0.762 7.453 8.280 -0.078 0.018 0.518 359 R N -0.390 120.231 120.500 0.202 0.000 2.073 359 R HA -0.420 nan 4.340 nan 0.000 0.234 359 R C 2.247 178.652 176.300 0.175 0.000 1.134 359 R CA 3.534 59.752 56.100 0.197 0.000 0.952 359 R CB -0.160 30.260 30.300 0.200 0.000 0.850 359 R HN -0.626 7.673 8.270 0.188 0.084 0.433 360 W N -0.042 121.188 121.300 -0.117 0.000 2.381 360 W HA -0.331 nan 4.660 nan 0.000 0.301 360 W C 1.706 178.129 176.519 -0.161 0.000 1.205 360 W CA 3.725 60.930 57.345 -0.232 0.000 1.285 360 W CB 0.070 29.180 29.460 -0.583 0.000 1.133 360 W HN 0.075 8.323 8.180 0.113 0.000 0.521 361 H N -0.968 117.965 119.070 -0.229 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.870 178.135 175.328 -0.104 0.000 1.075 361 H CA 5.081 61.001 56.048 -0.214 0.000 1.342 361 H CB -0.093 29.530 29.762 -0.232 0.000 1.395 361 H HN -0.111 8.179 8.280 0.016 0.000 0.530 362 R N -0.699 119.846 120.500 0.074 0.000 2.092 362 R HA -0.289 nan 4.340 nan 0.000 0.231 362 R C 2.052 178.355 176.300 0.005 0.000 1.119 362 R CA 2.486 58.630 56.100 0.074 0.000 0.970 362 R CB -0.848 29.522 30.300 0.117 0.000 0.864 362 R HN 0.333 8.569 8.270 0.119 0.105 0.440 363 F N 1.505 121.325 119.950 -0.216 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.675 177.275 175.800 -0.333 0.000 1.105 363 F CA 3.530 61.346 58.000 -0.307 0.000 1.239 363 F CB 0.101 38.764 39.000 -0.562 0.000 0.991 363 F HN -0.600 7.637 8.300 0.035 0.084 0.474 364 I N -4.987 115.324 120.570 -0.431 0.000 2.315 364 I HA -0.547 nan 4.170 nan 0.000 0.248 364 I C 1.497 177.655 176.117 0.068 0.000 1.117 364 I CA 3.340 64.480 61.300 -0.265 0.000 1.404 364 I CB -0.632 37.340 38.000 -0.048 0.000 1.071 364 I HN -0.113 7.786 8.210 -0.519 0.000 0.419 365 D N 0.406 120.901 120.400 0.159 0.000 2.149 365 D HA -0.326 nan 4.640 nan 0.000 0.198 365 D C 2.174 178.636 176.300 0.270 0.000 0.990 365 D CA 3.199 57.422 54.000 0.373 0.000 0.839 365 D CB -0.325 40.573 40.800 0.163 0.000 0.948 365 D HN 0.164 8.341 8.370 0.024 0.207 0.460 366 N N -0.994 117.696 118.700 -0.017 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.415 177.838 175.510 -0.145 0.000 1.019 366 N CA 3.058 56.053 53.050 -0.092 0.000 0.857 366 N CB -0.151 38.203 38.487 -0.221 0.000 0.997 366 N HN -0.111 8.094 8.380 -0.105 0.112 0.426 367 I N -0.281 120.103 120.570 -0.310 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.634 177.548 176.117 -0.339 0.000 1.100 367 I CA 3.703 64.760 61.300 -0.405 0.000 1.374 367 I CB -0.167 37.469 38.000 -0.606 0.000 1.057 367 I HN -0.434 7.413 8.210 -0.352 0.152 0.413 368 F N -1.709 118.198 119.950 -0.070 0.000 2.171 368 F HA -0.422 nan 4.527 nan 0.000 0.300 368 F C 2.316 178.065 175.800 -0.085 0.000 1.090 368 F CA 4.067 61.976 58.000 -0.151 0.000 1.293 368 F CB -0.783 38.013 39.000 -0.340 0.000 1.013 368 F HN -0.832 7.331 8.300 -0.099 0.077 0.486 369 Q N -1.887 118.013 119.800 0.167 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.761 178.801 176.000 0.066 0.000 0.977 369 Q CA 3.035 58.911 55.803 0.122 0.000 0.850 369 Q CB -0.892 27.909 28.738 0.105 0.000 0.901 369 Q HN 0.179 8.472 8.270 0.207 0.101 0.429 370 E N -0.586 119.623 120.200 0.016 0.000 2.110 370 E HA -0.375 nan 4.350 nan 0.000 0.193 370 E C 2.368 178.978 176.600 0.017 0.000 0.988 370 E CA 2.821 59.215 56.400 -0.010 0.000 0.804 370 E CB -0.239 29.429 29.700 -0.054 0.000 0.745 370 E HN -0.179 8.072 8.360 -0.015 0.099 0.458 371 H N 0.543 119.591 119.070 -0.035 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.365 177.838 175.328 0.242 0.000 1.090 371 H CA 3.697 59.771 56.048 0.043 0.000 1.327 371 H CB 0.152 29.937 29.762 0.038 0.000 1.383 371 H HN -0.707 7.566 8.280 0.105 0.070 0.508 372 K N -1.857 118.670 120.400 0.212 0.000 2.147 372 K HA -0.296 nan 4.320 nan 0.000 0.205 372 K C 2.964 179.673 176.600 0.183 0.000 1.049 372 K CA 2.343 58.742 56.287 0.187 0.000 0.936 372 K CB -0.728 31.827 32.500 0.092 0.000 0.722 372 K HN -0.074 8.206 8.250 0.188 0.083 0.446 373 K N -0.513 119.930 120.400 0.072 0.000 2.097 373 K HA -0.234 nan 4.320 nan 0.000 0.206 373 K C 1.583 178.145 176.600 -0.062 0.000 1.049 373 K CA 2.698 58.986 56.287 0.003 0.000 0.933 373 K CB -0.323 32.163 32.500 -0.023 0.000 0.717 373 K HN 0.068 8.226 8.250 0.064 0.132 0.442 374 S N -1.363 114.258 115.700 -0.131 0.000 2.447 374 S HA -0.192 nan 4.470 nan 0.000 0.233 374 S C 0.437 174.785 174.600 -0.420 0.000 1.006 374 S CA 2.147 60.172 58.200 -0.291 0.000 0.957 374 S CB 0.653 63.579 63.200 -0.458 0.000 0.773 374 S HN -0.517 7.612 8.310 -0.108 0.116 0.507 375 F N 2.195 122.023 119.950 -0.203 0.000 2.382 375 F HA 0.029 nan 4.527 nan 0.000 0.331 375 F C 0.011 175.683 175.800 -0.214 0.000 1.121 375 F CA 0.963 58.867 58.000 -0.160 0.000 1.183 375 F CB 1.024 39.950 39.000 -0.123 0.000 1.207 375 F HN -0.658 7.583 8.300 0.192 0.174 0.555 376 H N 1.681 120.779 119.070 0.047 0.000 2.607 376 H HA 0.162 nan 4.556 nan 0.000 0.367 376 H C -1.624 173.639 175.328 -0.107 0.000 1.181 376 H CA -0.611 55.422 56.048 -0.025 0.000 1.402 376 H CB 0.293 30.041 29.762 -0.024 0.000 1.474 376 H HN 0.063 8.508 8.280 0.274 0.000 0.596 377 P HA 0.064 nan 4.420 nan 0.000 0.277 377 P C -1.439 175.793 177.300 -0.112 0.000 1.276 377 P CA -0.261 62.792 63.100 -0.078 0.000 0.788 377 P CB 0.650 32.378 31.700 0.046 0.000 1.114 378 Y N -0.758 119.644 120.300 0.170 0.000 2.320 378 Y HA 0.094 nan 4.550 nan 0.000 0.334 378 Y C 0.412 176.379 175.900 0.111 0.000 1.055 378 Y CA 0.275 58.474 58.100 0.165 0.000 1.143 378 Y CB 0.967 39.557 38.460 0.218 0.000 1.193 378 Y HN 0.224 8.607 8.280 0.172 0.000 0.477 379 T N 4.917 119.618 114.554 0.246 0.000 2.816 379 T HA 0.241 nan 4.350 nan 0.000 0.282 379 T C 0.527 175.282 174.700 0.091 0.000 0.993 379 T CA -0.735 61.440 62.100 0.125 0.000 0.994 379 T CB 1.319 70.243 68.868 0.092 0.000 1.025 379 T HN 0.243 8.649 8.240 0.277 0.000 0.529 380 K N 1.182 121.594 120.400 0.020 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.280 178.891 176.600 0.018 0.000 1.049 380 K CA 3.149 59.424 56.287 -0.020 0.000 0.936 380 K CB 0.008 32.486 32.500 -0.036 0.000 0.722 380 K HN 0.305 8.563 8.250 0.012 0.000 0.446 381 E N -1.579 118.644 120.200 0.038 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.129 177.772 176.600 0.072 0.000 0.997 381 E CA 2.846 59.273 56.400 0.044 0.000 0.801 381 E CB -0.627 29.099 29.700 0.044 0.000 0.746 381 E HN 0.090 8.460 8.360 0.037 0.012 0.450 382 E N -2.113 118.157 120.200 0.116 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.739 178.422 176.600 0.138 0.000 0.985 382 E CA 2.189 58.672 56.400 0.138 0.000 0.801 382 E CB -0.155 29.705 29.700 0.266 0.000 0.750 382 E HN -0.622 7.728 8.360 0.134 0.091 0.452 383 L N -3.126 118.183 121.223 0.142 0.000 2.044 383 L HA -0.232 nan 4.340 nan 0.000 0.205 383 L C 0.820 177.765 176.870 0.125 0.000 1.075 383 L CA 2.015 56.942 54.840 0.145 0.000 0.747 383 L CB 0.363 42.424 42.059 0.003 0.000 0.903 383 L HN -0.673 7.631 8.230 0.124 0.000 0.435 384 S N -3.154 112.591 115.700 0.076 0.000 2.576 384 S HA -0.079 nan 4.470 nan 0.000 0.276 384 S C -1.064 173.628 174.600 0.153 0.000 1.339 384 S CA 1.669 59.916 58.200 0.079 0.000 1.039 384 S CB 0.744 63.954 63.200 0.017 0.000 0.902 384 S HN -0.276 7.970 8.310 0.058 0.100 0.516 385 F N 6.027 125.980 119.950 0.005 0.000 2.434 385 F HA 0.358 nan 4.527 nan 0.000 0.355 385 F C -2.712 173.088 175.800 -0.000 0.000 1.115 385 F CA -3.475 54.530 58.000 0.008 0.000 1.010 385 F CB 2.787 41.794 39.000 0.011 0.000 1.234 385 F HN -0.376 8.238 8.300 0.213 -0.186 0.439 386 P HA 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.587 176.468 177.300 -0.408 0.000 1.228 386 P CA -0.047 62.849 63.100 -0.339 0.000 0.786 386 P CB 0.469 32.021 31.700 -0.247 0.000 0.927 387 G N 0.526 109.213 108.800 -0.187 0.000 2.253 387 G HA2 -0.307 nan 3.960 nan 0.000 0.251 387 G HA3 -0.307 nan 3.960 nan 0.000 0.251 387 G C -1.199 173.678 174.900 -0.037 0.000 0.998 387 G CA 0.549 45.576 45.100 -0.121 0.000 0.621 387 G HN 0.091 8.303 8.290 -0.129 0.000 0.524 388 V N 1.491 121.414 119.914 0.016 0.000 2.435 388 V HA 0.402 nan 4.120 nan 0.000 0.290 388 V C -1.418 174.724 176.094 0.080 0.000 1.030 388 V CA -0.768 61.614 62.300 0.138 0.000 0.881 388 V CB 0.664 32.715 31.823 0.380 0.000 0.983 388 V HN -0.728 7.352 8.190 -0.040 0.086 0.445 389 E N 6.958 127.186 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.587 175.017 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.020 0.000 0.755 389 E CB 4.741 34.445 29.700 0.007 0.000 1.192 389 E HN 0.337 8.724 8.360 0.045 0.000 0.422 390 V N 6.748 126.656 119.914 -0.011 0.000 2.348 390 V HA 0.276 nan 4.120 nan 0.000 0.270 390 V C -0.104 175.977 176.094 -0.022 0.000 1.037 390 V CA -0.013 62.269 62.300 -0.030 0.000 0.872 390 V CB -0.597 31.188 31.823 -0.064 0.000 1.002 390 V HN 0.305 8.488 8.190 -0.011 0.000 0.464 391 V N 8.087 127.991 119.914 -0.016 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.007 0.000 1.041 391 V CA 1.784 64.079 62.300 -0.008 0.000 1.025 391 V CB 0.472 32.292 31.823 -0.004 0.000 0.656 391 V HN 0.670 8.850 8.190 -0.017 0.000 0.451 392 G N -4.539 104.254 108.800 -0.011 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 -0.001 0.000 1.487 392 G CA 0.633 45.731 45.100 -0.002 0.000 0.795 392 G HN -0.820 7.459 8.290 -0.017 0.000 0.513 393 V N -0.920 119.002 119.914 0.015 0.000 2.925 393 V HA 0.705 nan 4.120 nan 0.000 0.311 393 V C -1.448 174.683 176.094 0.061 0.000 1.104 393 V CA -1.583 60.739 62.300 0.036 0.000 0.954 393 V CB 3.500 35.342 31.823 0.031 0.000 1.022 393 V HN 0.280 8.482 8.190 0.019 0.000 0.427 394 S N 2.471 118.224 115.700 0.089 0.000 2.546 394 S HA 0.689 nan 4.470 nan 0.000 0.274 394 S C -1.884 172.784 174.600 0.113 0.000 1.121 394 S CA -1.079 57.169 58.200 0.080 0.000 0.887 394 S CB 3.503 66.734 63.200 0.051 0.000 1.094 394 S HN 0.305 8.677 8.310 0.104 0.000 0.474 395 I N -1.588 119.026 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.323 176.117 -0.001 0.000 0.992 395 I CA -2.108 59.206 61.300 0.024 0.000 1.149 395 I CB 1.280 39.239 38.000 -0.068 0.000 1.315 395 I HN 0.358 8.894 8.210 0.052 -0.294 0.446 396 N N 8.144 126.849 118.700 0.008 0.000 2.400 396 N HA 0.438 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.080 175.510 0.047 0.000 1.024 396 N CA 0.196 53.259 53.050 0.021 0.000 0.894 396 N CB 2.232 40.731 38.487 0.021 0.000 1.173 396 N HN 0.573 8.844 8.380 0.000 0.109 0.487 397 S N 2.752 118.472 115.700 0.034 0.000 2.929 397 S HA 0.196 nan 4.470 nan 0.000 0.311 397 S C -0.709 173.903 174.600 0.019 0.000 1.213 397 S CA -0.411 57.818 58.200 0.048 0.000 0.908 397 S CB 2.270 65.494 63.200 0.039 0.000 1.287 397 S HN 0.024 8.344 8.310 0.017 0.000 0.594 398 K N 1.998 122.403 120.400 0.010 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.007 176.602 176.600 -0.007 0.000 1.048 398 K CA 1.837 58.121 56.287 -0.005 0.000 0.927 398 K CB 0.280 32.768 32.500 -0.020 0.000 0.712 398 K HN 0.062 8.661 8.250 0.015 -0.340 0.441 399 T N 0.424 114.973 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.535 173.161 174.700 -0.007 0.000 0.993 399 T CA -0.675 61.420 62.100 -0.009 0.000 0.970 399 T CB 1.975 70.836 68.868 -0.013 0.000 0.950 399 T HN -0.166 8.073 8.240 -0.010 -0.005 0.441 400 A N 3.997 126.816 122.820 -0.002 0.000 2.462 400 A HA -0.083 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.740 177.584 -0.003 0.000 1.076 400 A CA 0.774 52.811 52.037 0.000 0.000 0.773 400 A CB 0.035 19.040 19.000 0.007 0.000 1.010 400 A HN 0.318 8.468 8.150 0.000 0.000 0.493 401 N N -2.425 116.268 118.700 -0.012 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.539 173.957 175.510 -0.022 0.000 1.078 401 N CA 1.190 54.233 53.050 -0.012 0.000 0.804 401 N CB -1.514 36.981 38.487 0.015 0.000 1.135 401 N HN 0.270 8.535 8.380 -0.015 0.105 0.565 402 V N -8.412 111.479 119.914 -0.037 0.000 2.709 402 V HA 0.787 nan 4.120 nan 0.000 0.308 402 V C -2.172 173.882 176.094 -0.067 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.037 0.000 0.901 402 V CB 3.089 34.900 31.823 -0.020 0.000 1.003 402 V HN -0.602 7.512 8.190 -0.036 0.054 0.425 403 I N 4.143 124.662 120.570 -0.086 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.913 174.187 176.117 -0.027 0.000 1.005 403 I CA -1.826 59.417 61.300 -0.095 0.000 1.113 403 I CB 3.732 41.597 38.000 -0.225 0.000 1.289 403 I HN 0.710 8.880 8.210 -0.066 0.000 0.436 404 T N 9.170 123.730 114.554 0.010 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.941 172.791 174.700 0.054 0.000 1.005 404 T CA -0.811 61.290 62.100 0.002 0.000 1.025 404 T CB 1.866 70.706 68.868 -0.047 0.000 0.977 404 T HN 0.219 8.485 8.240 0.042 0.000 0.458 405 T N 5.885 120.472 114.554 0.054 0.000 2.876 405 T HA 0.965 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.279 174.700 -0.085 0.000 1.014 405 T CA -1.696 60.491 62.100 0.144 0.000 0.986 405 T CB 1.318 70.378 68.868 0.321 0.000 1.021 405 T HN 0.241 8.492 8.240 0.018 0.000 0.458 406 L N 3.947 125.162 121.223 -0.013 0.000 2.510 406 L HA 0.746 nan 4.340 nan 0.000 0.252 406 L C -1.922 175.037 176.870 0.149 0.000 1.091 406 L CA -1.050 53.674 54.840 -0.193 0.000 0.888 406 L CB 4.284 46.252 42.059 -0.151 0.000 1.507 406 L HN 1.000 9.195 8.230 0.128 0.112 0.407 407 I N -0.835 119.815 120.570 0.134 0.000 2.412 407 I HA 0.505 nan 4.170 nan 0.000 0.296 407 I C -1.935 174.179 176.117 -0.005 0.000 0.987 407 I CA -2.504 58.875 61.300 0.132 0.000 1.180 407 I CB 1.610 39.727 38.000 0.194 0.000 1.340 407 I HN 0.207 8.442 8.210 0.042 0.000 0.455 408 K N 8.016 128.297 120.400 -0.198 0.000 2.371 408 K HA 0.432 nan 4.320 nan 0.000 0.251 408 K C -1.740 174.660 176.600 -0.334 0.000 0.934 408 K CA -2.143 53.980 56.287 -0.274 0.000 0.798 408 K CB 3.404 35.673 32.500 -0.386 0.000 1.204 408 K HN 0.851 8.905 8.250 -0.325 0.000 0.427 409 E N 3.142 123.212 120.200 -0.217 0.000 2.313 409 E HA 0.451 nan 4.350 nan 0.000 0.272 409 E C -1.197 175.152 176.600 -0.418 0.000 1.038 409 E CA -0.849 55.316 56.400 -0.392 0.000 0.863 409 E CB 1.169 30.670 29.700 -0.333 0.000 1.060 409 E HN 0.295 8.568 8.360 -0.144 0.000 0.402 410 S N 1.449 116.752 115.700 -0.661 0.000 2.607 410 S HA 0.397 nan 4.470 nan 0.000 0.273 410 S C -2.148 171.958 174.600 -0.823 0.000 1.148 410 S CA -1.286 56.520 58.200 -0.658 0.000 0.833 410 S CB 2.486 65.308 63.200 -0.631 0.000 1.130 410 S HN 0.706 8.512 8.310 -0.840 0.000 0.470 411 L N 0.977 121.937 121.223 -0.438 0.000 2.370 411 L HA 0.813 nan 4.340 nan 0.000 0.266 411 L C -1.641 175.229 176.870 -0.000 0.000 1.002 411 L CA -1.382 53.325 54.840 -0.222 0.000 0.818 411 L CB 3.218 45.212 42.059 -0.109 0.000 1.325 411 L HN 0.327 8.379 8.230 -0.296 0.000 0.418 412 L N 1.301 122.610 121.223 0.142 0.000 2.365 412 L HA 0.478 nan 4.340 nan 0.000 0.273 412 L C -1.994 174.949 176.870 0.122 0.000 1.000 412 L CA -1.814 53.139 54.840 0.189 0.000 0.819 412 L CB 4.668 46.879 42.059 0.253 0.000 1.284 412 L HN 0.807 9.002 8.230 0.126 0.110 0.418 413 E N 5.062 125.331 120.200 0.115 0.000 2.115 413 E HA 0.314 nan 4.350 nan 0.000 0.282 413 E C 0.094 176.754 176.600 0.101 0.000 0.987 413 E CA -0.622 55.833 56.400 0.093 0.000 0.797 413 E CB 0.746 30.505 29.700 0.097 0.000 1.086 413 E HN 0.331 8.768 8.360 0.128 0.000 0.397 414 L N 5.979 127.240 121.223 0.063 0.000 2.240 414 L HA -0.106 nan 4.340 nan 0.000 0.211 414 L C 1.511 178.374 176.870 -0.011 0.000 1.106 414 L CA 2.308 57.181 54.840 0.055 0.000 0.793 414 L CB -0.037 42.059 42.059 0.062 0.000 0.927 414 L HN 0.863 9.124 8.230 0.052 0.000 0.446 415 S N -1.079 114.561 115.700 -0.101 0.000 2.387 415 S HA -0.409 nan 4.470 nan 0.000 0.230 415 S C 1.501 175.893 174.600 -0.346 0.000 1.035 415 S CA 3.163 61.235 58.200 -0.213 0.000 1.014 415 S CB -0.256 62.706 63.200 -0.396 0.000 0.836 415 S HN -0.076 8.184 8.310 -0.083 0.000 0.466 416 H N -1.164 117.729 119.070 -0.294 0.000 2.389 416 H HA -0.099 nan 4.556 nan 0.000 0.299 416 H C 1.733 176.840 175.328 -0.369 0.000 1.081 416 H CA 2.796 58.530 56.048 -0.524 0.000 1.345 416 H CB 0.060 29.126 29.762 -1.160 0.000 1.393 416 H HN -0.107 7.976 8.280 -0.289 0.023 0.520 417 G N -3.045 105.692 108.800 -0.104 0.000 2.394 417 G HA2 -0.108 nan 3.960 nan 0.000 0.215 417 G HA3 -0.108 nan 3.960 nan 0.000 0.215 417 G C -0.566 174.258 174.900 -0.128 0.000 1.165 417 G CA 0.966 45.992 45.100 -0.123 0.000 0.784 417 G HN -0.294 7.977 8.290 -0.031 0.000 0.535 418 I N -5.297 115.234 120.570 -0.064 0.000 2.797 418 I HA 0.454 nan 4.170 nan 0.000 0.307 418 I C -1.939 174.172 176.117 -0.011 0.000 1.033 418 I CA -3.546 57.735 61.300 -0.031 0.000 1.071 418 I CB 2.323 40.335 38.000 0.020 0.000 1.255 418 I HN -0.634 7.546 8.210 -0.049 0.000 0.445 419 N N 2.595 121.285 118.700 -0.017 0.000 2.434 419 N HA -0.194 nan 4.740 nan 0.000 0.268 419 N C -0.450 175.014 175.510 -0.077 0.000 1.256 419 N CA 0.713 53.731 53.050 -0.052 0.000 0.914 419 N CB -0.260 38.177 38.487 -0.084 0.000 1.088 419 N HN 0.014 8.386 8.380 -0.012 0.000 0.478 420 F N 1.090 121.024 119.950 -0.027 0.000 2.163 420 F HA -0.021 nan 4.527 nan 0.000 0.297 420 F C 0.181 175.973 175.800 -0.013 0.000 1.094 420 F CA 0.282 58.260 58.000 -0.037 0.000 1.290 420 F CB -0.025 38.932 39.000 -0.072 0.000 1.017 420 F HN -0.308 8.139 8.300 0.244 0.000 0.483 421 G N 0.325 108.602 108.800 -0.871 0.000 2.531 421 G HA2 -0.545 nan 3.960 nan 0.000 0.274 421 G HA3 -0.545 nan 3.960 nan 0.000 0.274 421 G C 0.540 175.389 174.900 -0.086 0.000 1.159 421 G CA 1.083 45.931 45.100 -0.421 0.000 0.969 421 G HN -0.360 7.054 8.290 -1.699 -0.143 0.554 422 T N 0.961 115.527 114.554 0.020 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.628 175.415 174.700 0.146 0.000 1.048 422 T CA 0.602 62.755 62.100 0.088 0.000 1.139 422 T CB -0.082 68.815 68.868 0.048 0.000 0.874 422 T HN 0.608 8.839 8.240 -0.015 0.000 0.455 423 D N 1.998 122.485 120.400 0.144 0.000 2.443 423 D HA -0.060 nan 4.640 nan 0.000 0.239 423 D C 0.235 176.606 176.300 0.118 0.000 1.136 423 D CA -0.066 54.004 54.000 0.117 0.000 0.879 423 D CB -0.199 40.656 40.800 0.091 0.000 1.195 423 D HN -0.707 7.741 8.370 0.130 0.000 0.443 424 Q N 2.719 122.543 119.800 0.040 0.000 2.079 424 Q HA -0.216 nan 4.340 nan 0.000 0.200 424 Q C 0.119 176.076 176.000 -0.071 0.000 0.974 424 Q CA 3.255 59.042 55.803 -0.026 0.000 0.840 424 Q CB 0.953 29.676 28.738 -0.025 0.000 0.898 424 Q HN -0.051 8.243 8.270 0.040 0.000 0.430 425 S N -4.960 110.722 115.700 -0.030 0.000 2.537 425 S HA 0.382 nan 4.470 nan 0.000 0.271 425 S C -2.678 171.921 174.600 -0.002 0.000 1.148 425 S CA -0.509 57.663 58.200 -0.047 0.000 0.868 425 S CB 2.192 65.363 63.200 -0.049 0.000 1.115 425 S HN -0.607 7.705 8.310 0.003 0.000 0.461 426 V N -0.226 119.690 119.914 0.003 0.000 2.444 426 V HA 0.789 nan 4.120 nan 0.000 0.294 426 V C -1.845 174.267 176.094 0.030 0.000 1.022 426 V CA -2.628 59.688 62.300 0.027 0.000 0.850 426 V CB 1.820 33.669 31.823 0.044 0.000 0.992 426 V HN 0.048 8.227 8.190 -0.019 0.000 0.426 427 K N 4.714 125.133 120.400 0.032 0.000 2.318 427 K HA 0.837 nan 4.320 nan 0.000 0.249 427 K C -2.234 174.396 176.600 0.051 0.000 0.942 427 K CA -2.434 53.877 56.287 0.039 0.000 0.808 427 K CB 3.466 35.976 32.500 0.016 0.000 1.189 427 K HN -0.112 8.157 8.250 0.030 0.000 0.428 428 V N 1.975 121.937 119.914 0.081 0.000 2.513 428 V HA 0.538 nan 4.120 nan 0.000 0.299 428 V C -2.286 173.856 176.094 0.079 0.000 1.035 428 V CA -3.012 59.347 62.300 0.099 0.000 0.889 428 V CB 3.226 35.140 31.823 0.151 0.000 0.988 428 V HN 0.688 8.938 8.190 0.100 0.000 0.440 429 K N 9.331 129.742 120.400 0.018 0.000 2.183 429 K HA 0.717 nan 4.320 nan 0.000 0.274 429 K C -1.821 174.728 176.600 -0.085 0.000 1.009 429 K CA -1.171 55.036 56.287 -0.133 0.000 0.888 429 K CB 2.110 34.518 32.500 -0.153 0.000 1.078 429 K HN 0.652 8.790 8.250 0.037 0.134 0.459 430 Y N 2.923 123.135 120.300 -0.147 0.000 2.638 430 Y HA 0.446 nan 4.550 nan 0.000 0.339 430 Y C -2.391 173.339 175.900 -0.284 0.000 1.084 430 Y CA -2.647 55.391 58.100 -0.104 0.000 1.068 430 Y CB 2.247 40.731 38.460 0.042 0.000 1.294 430 Y HN 0.950 8.586 8.280 -0.885 0.113 0.480 431 H N -1.232 118.014 119.070 0.294 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.460 175.022 175.328 0.257 0.000 1.151 431 H CA -1.687 54.434 56.048 0.122 0.000 1.184 431 H CB 3.710 33.517 29.762 0.075 0.000 1.643 431 H HN 0.154 8.742 8.280 0.514 0.000 0.531 432 H N -2.084 117.141 119.070 0.258 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.248 173.175 175.328 0.158 0.000 1.252 432 H CA -2.152 53.996 56.048 0.168 0.000 1.117 432 H CB 2.669 32.391 29.762 -0.067 0.000 1.857 432 H HN 0.822 8.941 8.280 -0.268 0.000 0.547 433 L N -0.926 120.540 121.223 0.405 0.000 2.436 433 L HA 0.288 nan 4.340 nan 0.000 0.265 433 L C -0.496 176.668 176.870 0.491 0.000 1.168 433 L CA 0.273 55.328 54.840 0.358 0.000 0.815 433 L CB 0.875 43.119 42.059 0.308 0.000 1.109 433 L HN 0.329 8.853 8.230 0.490 0.000 0.462 434 D N 3.491 124.097 120.400 0.344 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.506 173.920 176.300 0.209 0.000 1.232 434 D CA -1.033 53.135 54.000 0.280 0.000 0.819 434 D CB 3.881 44.787 40.800 0.177 0.000 1.401 434 D HN 0.737 9.288 8.370 0.303 0.000 0.429 435 H N -2.230 116.916 119.070 0.127 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.481 173.842 175.328 -0.009 0.000 1.197 435 H CA -2.110 53.976 56.048 0.064 0.000 1.131 435 H CB 3.005 32.820 29.762 0.088 0.000 1.849 435 H HN 0.015 8.093 8.280 -0.336 0.000 0.555 436 E N 1.144 121.427 120.200 0.138 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.614 175.029 176.600 0.071 0.000 1.076 436 E CA -1.916 54.515 56.400 0.053 0.000 0.905 436 E CB 1.181 30.916 29.700 0.057 0.000 0.984 436 E HN 0.056 8.526 8.360 0.183 0.000 0.427 437 P HA 0.099 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.257 177.300 0.018 0.000 1.228 437 P CA 0.291 63.276 63.100 -0.192 0.000 0.786 437 P CB 0.597 32.391 31.700 0.156 0.000 0.927 438 F N -4.086 115.910 119.950 0.076 0.000 2.711 438 F HA 0.651 nan 4.527 nan 0.000 0.313 438 F C -2.169 173.559 175.800 -0.120 0.000 1.141 438 F CA -2.239 55.722 58.000 -0.064 0.000 0.941 438 F CB 2.268 41.158 39.000 -0.182 0.000 1.349 438 F HN -0.498 7.449 8.300 -0.590 0.000 0.464 439 T N -1.410 113.173 114.554 0.047 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.476 174.700 -0.174 0.000 1.084 439 T CA -1.949 60.086 62.100 -0.108 0.000 1.008 439 T CB 3.154 71.995 68.868 -0.046 0.000 1.170 439 T HN 0.266 8.581 8.240 0.125 0.000 0.509 440 Y N 0.332 120.719 120.300 0.145 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.771 174.154 175.900 0.042 0.000 1.004 440 Y CA -2.022 56.144 58.100 0.110 0.000 1.075 440 Y CB 3.291 41.823 38.460 0.121 0.000 1.214 440 Y HN 0.576 8.905 8.280 0.083 0.000 0.455 441 N N 1.880 120.691 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.211 173.338 175.510 0.064 0.000 1.025 441 N CA -0.756 52.345 53.050 0.085 0.000 0.898 441 N CB 2.980 41.494 38.487 0.046 0.000 1.303 441 N HN 0.602 9.103 8.380 0.201 0.000 0.495 442 I N 6.656 127.237 120.570 0.018 0.000 2.406 442 I HA 0.589 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.782 176.117 -0.039 0.000 0.999 442 I CA -2.384 58.908 61.300 -0.013 0.000 1.124 442 I CB 3.079 41.055 38.000 -0.041 0.000 1.289 442 I HN 0.578 8.783 8.210 -0.007 0.000 0.441 443 V N 9.775 129.673 119.914 -0.026 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.529 176.094 -0.027 0.000 1.037 443 V CA -0.874 61.412 62.300 -0.024 0.000 0.900 443 V CB 0.456 32.273 31.823 -0.010 0.000 0.983 443 V HN 0.609 8.789 8.190 -0.017 0.000 0.459 444 V N 7.610 127.509 119.914 -0.025 0.000 2.735 444 V HA 0.582 nan 4.120 nan 0.000 0.310 444 V C -2.072 174.024 176.094 0.002 0.000 1.061 444 V CA -1.863 60.428 62.300 -0.016 0.000 0.913 444 V CB 3.628 35.438 31.823 -0.023 0.000 1.005 444 V HN 0.921 8.991 8.190 -0.024 0.106 0.428 445 E N 5.612 125.818 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.037 174.579 176.600 0.027 0.000 0.930 445 E CA -2.213 54.196 56.400 0.014 0.000 0.770 445 E CB 2.508 32.213 29.700 0.009 0.000 1.104 445 E HN 0.737 9.103 8.360 0.009 0.000 0.403 446 N N 6.876 125.593 118.700 0.029 0.000 2.527 446 N HA 0.272 nan 4.740 nan 0.000 0.236 446 N C 0.588 176.110 175.510 0.020 0.000 0.999 446 N CA -1.575 51.499 53.050 0.040 0.000 0.935 446 N CB 0.525 39.038 38.487 0.043 0.000 1.132 446 N HN 0.245 8.638 8.380 0.023 0.000 0.511 447 N N 7.615 126.321 118.700 0.009 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.481 175.985 175.510 -0.010 0.000 1.016 447 N CA 1.895 54.941 53.050 -0.006 0.000 0.870 447 N CB 0.099 38.575 38.487 -0.019 0.000 0.979 447 N HN 0.837 9.132 8.380 0.014 0.093 0.431 448 S N 0.885 116.579 115.700 -0.010 0.000 2.589 448 S HA 0.016 nan 4.470 nan 0.000 0.265 448 S C 1.328 175.927 174.600 -0.002 0.000 1.342 448 S CA 0.449 58.642 58.200 -0.013 0.000 1.005 448 S CB 0.840 64.033 63.200 -0.011 0.000 0.909 448 S HN -0.331 8.202 8.310 -0.000 -0.223 0.555 449 G N -0.866 107.932 108.800 -0.003 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.101 173.802 174.900 0.005 0.000 1.143 449 G CA 0.414 45.515 45.100 0.001 0.000 0.784 449 G HN 0.416 8.702 8.290 -0.007 0.000 0.541 450 A N -0.580 122.245 122.820 0.010 0.000 2.288 450 A HA 0.282 nan 4.320 nan 0.000 0.328 450 A C -1.718 175.868 177.584 0.004 0.000 1.123 450 A CA -1.056 50.987 52.037 0.011 0.000 0.861 450 A CB 2.135 21.150 19.000 0.024 0.000 1.272 450 A HN -0.821 7.297 8.150 0.011 0.039 0.490 451 E N -0.393 119.795 120.200 -0.020 0.000 2.373 451 E HA -0.063 nan 4.350 nan 0.000 0.267 451 E C -0.979 175.552 176.600 -0.115 0.000 1.032 451 E CA 0.472 56.826 56.400 -0.077 0.000 0.889 451 E CB 0.596 30.223 29.700 -0.123 0.000 0.984 451 E HN 0.100 8.453 8.360 -0.012 0.000 0.425 452 K N 1.281 121.601 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.965 176.600 -0.314 0.000 0.991 452 K CA -2.546 53.696 56.287 -0.076 0.000 0.845 452 K CB 3.337 35.956 32.500 0.197 0.000 1.197 452 K HN 0.696 8.772 8.250 -0.115 0.104 0.441 453 H N -0.356 118.766 119.070 0.086 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.669 174.607 175.328 -0.086 0.000 1.048 453 H CA -0.983 55.104 56.048 0.066 0.000 1.204 453 H CB 2.529 32.596 29.762 0.509 0.000 1.493 453 H HN 0.475 8.873 8.280 0.197 0.000 0.511 454 S N 2.617 118.158 115.700 -0.264 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.151 173.322 174.600 -0.210 0.000 1.099 454 S CA -1.608 56.431 58.200 -0.267 0.000 0.913 454 S CB 2.518 65.512 63.200 -0.344 0.000 1.085 454 S HN 0.931 8.857 8.310 -0.640 0.000 0.480 455 T N 3.544 118.038 114.554 -0.100 0.000 2.749 455 T HA 0.477 nan 4.350 nan 0.000 0.287 455 T C -0.958 173.589 174.700 -0.255 0.000 0.970 455 T CA -0.008 62.048 62.100 -0.073 0.000 0.980 455 T CB 0.735 69.632 68.868 0.048 0.000 0.924 455 T HN 0.233 8.397 8.240 -0.127 0.000 0.456 456 V N 8.108 127.698 119.914 -0.540 0.000 2.439 456 V HA 0.510 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.544 176.094 -0.445 0.000 1.039 456 V CA -0.889 61.044 62.300 -0.611 0.000 0.913 456 V CB 0.831 32.006 31.823 -1.081 0.000 0.983 456 V HN 1.152 8.795 8.190 -0.743 0.102 0.460 457 R N 6.025 126.420 120.500 -0.175 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.477 174.845 176.300 0.036 0.000 0.958 457 R CA -1.446 54.656 56.100 0.003 0.000 0.861 457 R CB 2.666 33.131 30.300 0.275 0.000 1.171 457 R HN 0.942 9.125 8.270 -0.145 0.000 0.445 458 I N 2.935 123.447 120.570 -0.096 0.000 2.498 458 I HA 0.678 nan 4.170 nan 0.000 0.290 458 I C -1.716 174.286 176.117 -0.192 0.000 1.032 458 I CA -0.978 60.286 61.300 -0.061 0.000 1.073 458 I CB 3.126 40.996 38.000 -0.216 0.000 1.251 458 I HN 0.754 8.837 8.210 -0.211 0.000 0.426 459 F N 4.958 125.052 119.950 0.240 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.206 173.749 175.800 0.258 0.000 1.069 459 F CA -1.560 56.589 58.000 0.248 0.000 0.953 459 F CB 4.555 43.699 39.000 0.239 0.000 1.322 459 F HN 0.579 9.181 8.300 0.503 0.000 0.479 460 L N 0.525 121.997 121.223 0.414 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.498 174.537 176.870 0.275 0.000 0.993 460 L CA -1.686 53.331 54.840 0.295 0.000 0.819 460 L CB 4.186 46.306 42.059 0.102 0.000 1.294 460 L HN 0.634 9.100 8.230 0.394 0.000 0.414 461 A N 4.728 127.679 122.820 0.218 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.045 0.000 1.059 461 A CA -2.763 49.195 52.037 -0.131 0.000 0.698 461 A CB 2.347 20.760 19.000 -0.978 0.000 1.289 461 A HN 0.800 9.128 8.150 0.296 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.124 175.987 177.300 -0.315 0.000 1.216 462 P CA -0.550 62.362 63.100 -0.313 0.000 0.771 462 P CB 0.455 31.991 31.700 -0.274 0.000 0.864 463 K N 0.980 121.162 120.400 -0.363 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.128 176.456 176.600 -0.455 0.000 1.051 463 K CA 2.278 58.345 56.287 -0.367 0.000 0.949 463 K CB 1.058 33.304 32.500 -0.423 0.000 0.726 463 K HN -0.117 7.831 8.250 -0.503 0.000 0.443 464 Y N -4.394 115.756 120.300 -0.251 0.000 2.308 464 Y HA -0.006 nan 4.550 nan 0.000 0.329 464 Y C -0.227 175.572 175.900 -0.168 0.000 1.111 464 Y CA 0.666 58.656 58.100 -0.182 0.000 1.179 464 Y CB 0.637 38.994 38.460 -0.172 0.000 1.201 464 Y HN -0.597 7.621 8.280 -0.104 0.000 0.483 465 D N 3.164 123.570 120.400 0.009 0.000 2.469 465 D HA 0.066 nan 4.640 nan 0.000 0.278 465 D C -0.074 176.229 176.300 0.005 0.000 1.231 465 D CA -1.031 52.956 54.000 -0.022 0.000 1.075 465 D CB 1.592 42.368 40.800 -0.040 0.000 1.121 465 D HN -0.166 8.207 8.370 0.005 0.000 0.571 466 E N -1.952 118.239 120.200 -0.015 0.000 2.502 466 E HA 0.008 nan 4.350 nan 0.000 0.194 466 E C -0.351 176.246 176.600 -0.004 0.000 1.062 466 E CA 0.946 57.338 56.400 -0.014 0.000 0.867 466 E CB 0.036 29.723 29.700 -0.021 0.000 0.888 466 E HN 0.358 8.702 8.360 -0.027 0.000 0.510 467 L N -2.364 118.863 121.223 0.006 0.000 2.862 467 L HA 0.275 nan 4.340 nan 0.000 0.169 467 L C 0.468 177.354 176.870 0.026 0.000 1.164 467 L CA 1.070 55.914 54.840 0.007 0.000 0.858 467 L CB 0.045 42.102 42.059 -0.002 0.000 1.329 467 L HN -0.228 7.900 8.230 0.011 0.108 0.514 468 N N -3.100 115.623 118.700 0.039 0.000 3.364 468 N HA 0.039 nan 4.740 nan 0.000 0.294 468 N C -1.954 173.597 175.510 0.068 0.000 1.562 468 N CA -0.610 52.490 53.050 0.082 0.000 0.862 468 N CB 2.163 40.680 38.487 0.050 0.000 1.691 468 N HN -0.545 7.846 8.380 0.019 0.000 0.572 469 N N 0.129 118.855 118.700 0.044 0.000 2.412 469 N HA -0.198 nan 4.740 nan 0.000 0.279 469 N C -1.337 174.055 175.510 -0.197 0.000 1.287 469 N CA 1.324 54.216 53.050 -0.263 0.000 0.948 469 N CB 0.009 38.310 38.487 -0.310 0.000 1.255 469 N HN 0.271 8.729 8.380 0.131 0.000 0.485 470 K N 4.324 124.612 120.400 -0.188 0.000 2.740 470 K HA 0.227 nan 4.320 nan 0.000 0.246 470 K C -1.207 175.320 176.600 -0.121 0.000 1.021 470 K CA -1.208 55.006 56.287 -0.122 0.000 1.021 470 K CB 1.273 33.730 32.500 -0.073 0.000 1.233 470 K HN -0.329 7.789 8.250 -0.220 0.000 0.497 471 L N 6.262 127.420 121.223 -0.109 0.000 2.416 471 L HA 0.034 nan 4.340 nan 0.000 0.243 471 L C -0.936 175.911 176.870 -0.038 0.000 1.373 471 L CA -0.604 54.186 54.840 -0.083 0.000 1.227 471 L CB -1.276 40.750 42.059 -0.054 0.000 1.428 471 L HN 0.709 8.878 8.230 -0.102 0.000 0.425 472 E N 2.433 122.602 120.200 -0.053 0.000 2.052 472 E HA 0.217 nan 4.350 nan 0.000 0.283 472 E C -1.442 175.146 176.600 -0.020 0.000 1.071 472 E CA -2.498 53.886 56.400 -0.026 0.000 0.851 472 E CB -0.010 29.671 29.700 -0.031 0.000 1.066 472 E HN -0.113 8.156 8.360 -0.080 0.043 0.396 473 P HA -0.250 nan 4.420 nan 0.000 0.219 473 P C 0.594 177.909 177.300 0.025 0.000 1.146 473 P CA 2.558 65.682 63.100 0.039 0.000 0.808 473 P CB 0.131 31.837 31.700 0.010 0.000 0.779 474 D N -1.856 118.547 120.400 0.005 0.000 2.097 474 D HA -0.261 nan 4.640 nan 0.000 0.195 474 D C 2.490 178.789 176.300 -0.001 0.000 0.989 474 D CA 3.091 57.094 54.000 0.005 0.000 0.827 474 D CB -0.405 40.397 40.800 0.002 0.000 0.966 474 D HN 0.350 8.697 8.370 0.003 0.025 0.456 475 E N -0.526 119.656 120.200 -0.030 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.637 179.170 176.600 -0.113 0.000 0.984 475 E CA 2.594 58.957 56.400 -0.061 0.000 0.806 475 E CB -0.108 29.547 29.700 -0.076 0.000 0.750 475 E HN -0.485 7.856 8.360 -0.031 0.000 0.458 476 Q N -1.665 118.047 119.800 -0.146 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.858 176.000 -0.348 0.000 0.980 476 Q CA 2.804 58.363 55.803 -0.406 0.000 0.869 476 Q CB -0.361 28.134 28.738 -0.405 0.000 0.912 476 Q HN -0.223 7.879 8.270 -0.080 0.120 0.436 477 R N -1.709 118.825 120.500 0.058 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.956 178.285 176.300 0.049 0.000 1.136 477 R CA 2.695 58.906 56.100 0.186 0.000 0.959 477 R CB -0.548 29.838 30.300 0.145 0.000 0.856 477 R HN -0.670 7.501 8.270 0.062 0.136 0.437 478 R N -3.156 117.323 120.500 -0.034 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.003 178.240 176.300 -0.105 0.000 1.126 478 R CA 1.482 57.555 56.100 -0.045 0.000 0.963 478 R CB -0.189 30.087 30.300 -0.041 0.000 0.858 478 R HN -0.530 7.717 8.270 -0.039 0.000 0.435 479 L N -1.722 119.372 121.223 -0.215 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.613 177.316 176.870 -0.278 0.000 1.095 479 L CA 1.539 56.217 54.840 -0.271 0.000 0.770 479 L CB 0.093 41.905 42.059 -0.411 0.000 0.914 479 L HN -0.741 7.193 8.230 -0.267 0.135 0.439 480 F N -2.572 117.208 119.950 -0.284 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.249 176.006 175.800 -0.071 0.000 1.083 480 F CA 1.711 59.517 58.000 -0.324 0.000 1.266 480 F CB 0.160 38.593 39.000 -0.946 0.000 1.076 480 F HN -0.627 7.408 8.300 -0.443 0.000 0.574 481 I N -1.454 119.281 120.570 0.274 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.736 174.575 176.117 0.323 0.000 1.011 481 I CA -2.247 59.188 61.300 0.225 0.000 1.107 481 I CB 3.436 41.479 38.000 0.072 0.000 1.285 481 I HN 0.666 9.043 8.210 0.278 0.000 0.436 482 E N 4.753 125.072 120.200 0.198 0.000 2.152 482 E HA 0.135 nan 4.350 nan 0.000 0.285 482 E C -0.243 176.246 176.600 -0.184 0.000 1.043 482 E CA -1.064 55.161 56.400 -0.291 0.000 0.839 482 E CB 1.244 30.876 29.700 -0.113 0.000 1.069 482 E HN -0.209 8.547 8.360 0.257 -0.242 0.399 483 L N 5.940 127.022 121.223 -0.236 0.000 2.095 483 L HA -0.034 nan 4.340 nan 0.000 0.204 483 L C -0.456 176.378 176.870 -0.060 0.000 1.080 483 L CA 1.861 56.666 54.840 -0.058 0.000 0.759 483 L CB 0.440 42.520 42.059 0.036 0.000 0.914 483 L HN 0.451 8.442 8.230 -0.397 0.000 0.439 484 D N -5.454 114.862 120.400 -0.140 0.000 2.720 484 D HA 0.143 nan 4.640 nan 0.000 0.239 484 D C -2.795 173.502 176.300 -0.006 0.000 1.218 484 D CA -0.094 53.904 54.000 -0.003 0.000 0.748 484 D CB 3.286 44.182 40.800 0.160 0.000 1.387 484 D HN -0.635 7.556 8.370 -0.298 0.000 0.438 485 K N 2.261 122.720 120.400 0.098 0.000 2.535 485 K HA 0.761 nan 4.320 nan 0.000 0.250 485 K C -1.916 174.802 176.600 0.196 0.000 0.948 485 K CA -0.575 55.742 56.287 0.051 0.000 0.796 485 K CB 2.982 35.503 32.500 0.034 0.000 1.216 485 K HN -0.258 8.078 8.250 0.144 0.000 0.432 486 F N 1.316 121.291 119.950 0.041 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.116 172.760 175.800 0.128 0.000 1.141 486 F CA -1.931 56.118 58.000 0.081 0.000 0.939 486 F CB 1.961 40.998 39.000 0.061 0.000 1.325 486 F HN 0.177 8.180 8.300 -0.495 0.000 0.453 487 F N 0.165 120.227 119.950 0.188 0.000 2.421 487 F HA 0.688 nan 4.527 nan 0.000 0.337 487 F C -2.196 173.723 175.800 0.199 0.000 1.105 487 F CA -1.122 56.899 58.000 0.036 0.000 1.049 487 F CB 2.140 41.035 39.000 -0.175 0.000 1.139 487 F HN -0.200 8.418 8.300 0.530 0.000 0.479 488 Y N 7.544 127.092 120.300 -1.253 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.467 172.780 175.900 -1.088 0.000 1.045 488 Y CA -0.743 56.881 58.100 -0.793 0.000 1.028 488 Y CB 4.785 43.095 38.460 -0.250 0.000 1.297 488 Y HN 0.718 8.247 8.280 -1.253 0.000 0.463 489 T N 5.389 119.349 114.554 -0.990 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.466 173.065 174.700 -0.283 0.000 0.998 489 T CA -0.616 61.158 62.100 -0.542 0.000 0.994 489 T CB 0.941 69.611 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.631 0.000 0.448 490 L N 6.316 127.450 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.533 176.311 176.870 -0.043 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.005 0.000 0.817 490 L CB 2.452 44.530 42.059 0.031 0.000 1.272 490 L HN 1.023 8.998 8.230 -0.229 0.117 0.421 491 T N 0.026 114.576 114.554 -0.007 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.154 172.548 174.700 0.004 0.000 0.974 491 T CA -3.142 58.950 62.100 -0.013 0.000 0.966 491 T CB -0.483 68.382 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.171 8.240 0.026 -0.162 0.538 492 P HA -0.014 nan 4.420 nan 0.000 0.274 492 P C -0.895 176.411 177.300 0.011 0.000 1.231 492 P CA -0.017 63.088 63.100 0.008 0.000 0.790 492 P CB 0.268 31.971 31.700 0.005 0.000 0.951 493 G N 2.042 110.848 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.745 173.163 174.900 0.014 0.000 1.331 493 G CA -0.582 44.524 45.100 0.010 0.000 0.891 493 G HN 0.043 8.340 8.290 0.011 0.000 0.539 494 K N 1.090 121.498 120.400 0.012 0.000 2.237 494 K HA 0.270 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.895 176.600 0.017 0.000 1.015 494 K CA 0.518 56.812 56.287 0.012 0.000 0.949 494 K CB 0.821 33.326 32.500 0.008 0.000 0.976 494 K HN 0.103 8.360 8.250 0.010 0.000 0.472 495 N N 2.319 121.027 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.008 0.000 1.125 495 N CA -0.681 52.382 53.050 0.022 0.000 0.783 495 N CB 5.093 43.610 38.487 0.049 0.000 1.558 495 N HN 0.314 8.698 8.380 0.007 0.000 0.472 496 T N -2.333 112.211 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.880 173.749 174.700 -0.119 0.000 0.991 496 T CA -1.437 60.634 62.100 -0.049 0.000 0.964 496 T CB 1.147 70.002 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.372 8.240 0.011 0.000 0.438 497 I N 6.810 127.257 120.570 -0.205 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.399 174.612 176.117 -0.177 0.000 0.992 497 I CA -0.851 60.210 61.300 -0.399 0.000 1.154 497 I CB 2.508 40.140 38.000 -0.612 0.000 1.315 497 I HN 0.773 8.785 8.210 -0.146 0.110 0.448 498 V N 7.405 127.235 119.914 -0.140 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.246 174.794 176.094 -0.091 0.000 1.038 498 V CA -1.523 60.745 62.300 -0.054 0.000 0.887 498 V CB 1.813 33.617 31.823 -0.032 0.000 0.991 498 V HN 0.282 8.371 8.190 -0.168 0.000 0.434 499 R N 7.735 128.208 120.500 -0.045 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.292 173.970 176.300 -0.063 0.000 0.987 499 R CA -2.567 53.442 56.100 -0.151 0.000 0.901 499 R CB 4.149 34.235 30.300 -0.356 0.000 1.207 499 R HN 0.222 8.529 8.270 0.062 0.000 0.463 500 N N 3.486 122.092 118.700 -0.156 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.136 176.485 175.510 -0.268 0.000 1.129 500 N CA -1.411 51.512 53.050 -0.212 0.000 0.931 500 N CB 1.479 39.816 38.487 -0.250 0.000 1.193 500 N HN 0.354 8.612 8.380 -0.203 0.000 0.500 501 H N 0.523 119.317 119.070 -0.459 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.133 177.315 175.328 -0.244 0.000 1.087 501 H CA 3.718 59.454 56.048 -0.520 0.000 1.330 501 H CB -0.045 28.949 29.762 -1.280 0.000 1.388 501 H HN 0.580 8.594 8.280 -0.445 0.000 0.526 502 Q N -1.157 117.940 119.800 -1.171 0.000 2.135 502 Q HA -0.336 nan 4.340 nan 0.000 0.204 502 Q C 0.791 176.589 176.000 -0.336 0.000 0.981 502 Q CA 2.609 57.941 55.803 -0.786 0.000 0.856 502 Q CB -0.836 27.529 28.738 -0.622 0.000 0.902 502 Q HN 0.341 7.854 8.270 -1.205 0.033 0.425 503 D N -2.570 117.665 120.400 -0.275 0.000 2.310 503 D HA -0.012 nan 4.640 nan 0.000 0.212 503 D C 0.480 176.716 176.300 -0.106 0.000 0.965 503 D CA 0.542 54.437 54.000 -0.176 0.000 0.879 503 D CB 0.164 40.847 40.800 -0.196 0.000 0.921 503 D HN -0.604 7.644 8.370 -0.324 -0.073 0.510 504 S N 0.705 116.365 115.700 -0.066 0.000 2.715 504 S HA -0.351 nan 4.470 nan 0.000 0.318 504 S C 0.804 175.394 174.600 -0.017 0.000 1.242 504 S CA 0.611 58.813 58.200 0.005 0.000 1.044 504 S CB 0.344 63.583 63.200 0.065 0.000 0.760 504 S HN -0.475 7.586 8.310 -0.097 0.191 0.501 505 S N 8.689 124.381 115.700 -0.013 0.000 2.453 505 S HA -0.172 nan 4.470 nan 0.000 0.231 505 S C 1.626 176.162 174.600 -0.107 0.000 1.005 505 S CA 3.251 61.432 58.200 -0.033 0.000 0.949 505 S CB 0.109 63.306 63.200 -0.005 0.000 0.774 505 S HN 0.136 8.747 8.310 0.019 -0.290 0.510 506 V N -6.260 113.536 119.914 -0.196 0.000 2.719 506 V HA 0.045 nan 4.120 nan 0.000 0.252 506 V C -0.528 175.480 176.094 -0.143 0.000 1.065 506 V CA 1.436 63.468 62.300 -0.446 0.000 1.086 506 V CB -0.833 30.617 31.823 -0.621 0.000 0.700 506 V HN -0.630 7.446 8.190 -0.138 0.032 0.467 507 T N -3.854 110.698 114.554 -0.005 0.000 2.945 507 T HA 0.535 nan 4.350 nan 0.000 0.286 507 T C -1.405 173.322 174.700 0.046 0.000 1.025 507 T CA -2.691 59.459 62.100 0.083 0.000 1.039 507 T CB 2.418 71.349 68.868 0.104 0.000 1.068 507 T HN -0.710 7.478 8.240 -0.022 0.039 0.497 508 I N 2.302 122.903 120.570 0.050 0.000 2.416 508 I HA 0.062 nan 4.170 nan 0.000 0.288 508 I C -0.017 176.079 176.117 -0.036 0.000 1.051 508 I CA -2.012 59.288 61.300 0.001 0.000 1.375 508 I CB 1.738 39.741 38.000 0.005 0.000 1.407 508 I HN 0.132 8.384 8.210 0.070 0.000 0.516 509 S N 9.370 125.026 115.700 -0.072 0.000 2.383 509 S HA -0.226 nan 4.470 nan 0.000 0.227 509 S C -0.138 174.408 174.600 -0.089 0.000 1.026 509 S CA 2.352 60.502 58.200 -0.083 0.000 0.981 509 S CB 0.468 63.605 63.200 -0.104 0.000 0.818 509 S HN 0.418 8.930 8.310 -0.085 -0.253 0.472 510 K N -1.317 119.007 120.400 -0.127 0.000 2.589 510 K HA -0.008 nan 4.320 nan 0.000 0.265 510 K C -2.312 174.190 176.600 -0.163 0.000 0.935 510 K CA -0.058 56.157 56.287 -0.119 0.000 0.850 510 K CB 2.170 34.601 32.500 -0.115 0.000 1.372 510 K HN -0.802 7.349 8.250 -0.165 0.000 0.420 511 V N 2.208 122.059 119.914 -0.105 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.760 175.306 176.094 -0.047 0.000 1.024 511 V CA -1.829 60.413 62.300 -0.097 0.000 0.861 511 V CB 1.552 33.332 31.823 -0.070 0.000 0.985 511 V HN 0.104 8.251 8.190 -0.072 0.000 0.436 512 R N 6.808 127.321 120.500 0.022 0.000 2.441 512 R HA 0.208 nan 4.340 nan 0.000 0.284 512 R C -0.253 176.025 176.300 -0.036 0.000 1.070 512 R CA -0.740 55.386 56.100 0.044 0.000 1.047 512 R CB 0.457 30.856 30.300 0.165 0.000 1.016 512 R HN 0.088 8.409 8.270 0.085 0.000 0.477 513 T N 0.099 114.631 114.554 -0.037 0.000 2.810 513 T HA 0.282 nan 4.350 nan 0.000 0.277 513 T C 1.187 175.818 174.700 -0.116 0.000 0.973 513 T CA -0.961 61.104 62.100 -0.058 0.000 0.949 513 T CB 1.766 70.651 68.868 0.029 0.000 1.075 513 T HN 0.017 8.251 8.240 -0.009 0.000 0.537 514 F N 0.936 120.754 119.950 -0.221 0.000 2.126 514 F HA -0.332 nan 4.527 nan 0.000 0.299 514 F C 1.740 177.439 175.800 -0.168 0.000 1.096 514 F CA 4.890 62.682 58.000 -0.347 0.000 1.255 514 F CB -0.026 38.369 39.000 -1.008 0.000 0.997 514 F HN 0.136 8.720 8.300 0.023 -0.270 0.479 515 D N -2.271 118.211 120.400 0.136 0.000 2.117 515 D HA -0.270 nan 4.640 nan 0.000 0.197 515 D C 2.554 178.886 176.300 0.053 0.000 0.987 515 D CA 3.877 57.945 54.000 0.113 0.000 0.829 515 D CB -0.651 40.214 40.800 0.108 0.000 0.961 515 D HN -0.455 8.013 8.370 0.166 0.002 0.460 516 Q N -0.879 118.937 119.800 0.027 0.000 2.050 516 Q HA -0.262 nan 4.340 nan 0.000 0.202 516 Q C 2.470 178.466 176.000 -0.006 0.000 0.980 516 Q CA 2.902 58.712 55.803 0.012 0.000 0.840 516 Q CB -0.001 28.744 28.738 0.012 0.000 0.898 516 Q HN -0.789 7.325 8.270 0.021 0.170 0.424 517 L N -2.347 118.854 121.223 -0.036 0.000 2.056 517 L HA -0.261 nan 4.340 nan 0.000 0.207 517 L C 2.415 179.266 176.870 -0.032 0.000 1.078 517 L CA 2.053 56.849 54.840 -0.073 0.000 0.749 517 L CB -0.317 41.655 42.059 -0.145 0.000 0.901 517 L HN -0.208 7.908 8.230 -0.047 0.087 0.433 518 G N -2.073 106.736 108.800 0.014 0.000 2.442 518 G HA2 -0.311 nan 3.960 nan 0.000 0.219 518 G HA3 -0.311 nan 3.960 nan 0.000 0.219 518 G C 0.109 175.018 174.900 0.015 0.000 1.141 518 G CA 0.778 45.899 45.100 0.034 0.000 0.763 518 G HN -0.025 8.283 8.290 0.030 0.000 0.554 519 A N 1.791 124.617 122.820 0.010 0.000 2.213 519 A HA -0.015 nan 4.320 nan 0.000 0.192 519 A C -0.090 177.488 177.584 -0.009 0.000 1.296 519 A CA 0.876 52.916 52.037 0.004 0.000 0.703 519 A CB 0.675 19.679 19.000 0.005 0.000 0.941 519 A HN -0.537 7.542 8.150 0.015 0.080 0.517 520 G N -2.173 106.617 108.800 -0.017 0.000 2.225 520 G HA2 -0.090 nan 3.960 nan 0.000 0.184 520 G HA3 -0.090 nan 3.960 nan 0.000 0.184 520 G C -1.706 173.182 174.900 -0.021 0.000 2.549 520 G CA -0.213 44.869 45.100 -0.030 0.000 0.925 520 G HN -0.036 8.247 8.290 -0.011 0.000 0.550 521 E N 0.792 120.982 120.200 -0.016 0.000 2.405 521 E HA 0.379 nan 4.350 nan 0.000 0.249 521 E C -0.652 175.955 176.600 0.011 0.000 1.028 521 E CA -1.228 55.176 56.400 0.007 0.000 0.897 521 E CB 1.665 31.385 29.700 0.034 0.000 1.262 521 E HN 0.050 8.393 8.360 -0.029 0.000 0.442 522 G N -0.332 108.486 108.800 0.030 0.000 4.566 522 G HA2 0.155 nan 3.960 nan 0.000 0.276 522 G HA3 0.155 nan 3.960 nan 0.000 0.276 522 G C -1.381 173.541 174.900 0.037 0.000 1.248 522 G CA 0.296 45.409 45.100 0.022 0.000 0.858 522 G HN 0.230 8.541 8.290 0.036 0.000 0.549 523 V N -0.030 119.939 119.914 0.090 0.000 2.374 523 V HA -0.106 nan 4.120 nan 0.000 0.241 523 V C -0.184 175.954 176.094 0.074 0.000 1.034 523 V CA 1.712 64.055 62.300 0.072 0.000 1.037 523 V CB 0.398 32.269 31.823 0.081 0.000 0.682 523 V HN 0.354 8.627 8.190 0.139 0.000 0.463 524 S N -0.667 115.111 115.700 0.130 0.000 4.572 524 S HA -0.096 nan 4.470 nan 0.000 0.234 524 S C -1.737 172.881 174.600 0.030 0.000 1.071 524 S CA 0.145 58.376 58.200 0.051 0.000 1.087 524 S CB 0.315 63.528 63.200 0.023 0.000 1.979 524 S HN -0.317 8.154 8.310 0.269 0.000 0.503 525 E N 1.479 121.675 120.200 -0.008 0.000 2.646 525 E HA 0.253 nan 4.350 nan 0.000 0.336 525 E C -1.858 174.702 176.600 -0.066 0.000 1.027 525 E CA 0.307 56.652 56.400 -0.091 0.000 0.765 525 E CB 1.742 31.371 29.700 -0.118 0.000 1.545 525 E HN -0.169 8.195 8.360 0.008 0.000 0.382 526 D N 2.866 123.246 120.400 -0.033 0.000 3.093 526 D HA 0.463 nan 4.640 nan 0.000 0.200 526 D C -0.754 175.512 176.300 -0.056 0.000 1.344 526 D CA -0.796 53.185 54.000 -0.032 0.000 1.133 526 D CB 3.014 43.814 40.800 -0.000 0.000 1.188 526 D HN 0.092 8.455 8.370 -0.011 0.000 0.583 527 S N -0.707 114.971 115.700 -0.038 0.000 4.055 527 S HA 0.207 nan 4.470 nan 0.000 0.180 527 S C 1.745 176.321 174.600 -0.040 0.000 1.191 527 S CA 1.033 59.194 58.200 -0.065 0.000 1.195 527 S CB 0.712 63.866 63.200 -0.077 0.000 1.932 527 S HN 0.050 8.347 8.310 -0.021 0.000 0.781 528 T N 4.105 118.636 114.554 -0.037 0.000 2.951 528 T HA -0.149 nan 4.350 nan 0.000 0.268 528 T C 1.287 175.943 174.700 -0.074 0.000 1.073 528 T CA 4.457 66.560 62.100 0.005 0.000 1.134 528 T CB -0.213 68.699 68.868 0.073 0.000 0.884 528 T HN 0.548 8.753 8.240 -0.058 0.000 0.479 529 E N 0.297 120.452 120.200 -0.074 0.000 2.274 529 E HA -0.254 nan 4.350 nan 0.000 0.194 529 E C 1.854 178.399 176.600 -0.091 0.000 0.996 529 E CA 1.869 58.215 56.400 -0.091 0.000 0.840 529 E CB -1.428 28.241 29.700 -0.053 0.000 0.772 529 E HN -0.099 8.190 8.360 -0.071 0.028 0.491 530 Y N 2.656 122.854 120.300 -0.171 0.000 2.029 530 Y HA -0.508 nan 4.550 nan 0.000 0.269 530 Y C -0.218 175.602 175.900 -0.134 0.000 1.201 530 Y CA 3.594 61.612 58.100 -0.138 0.000 1.115 530 Y CB 0.125 38.501 38.460 -0.141 0.000 0.945 530 Y HN -0.328 7.781 8.280 0.047 0.199 0.497 531 C N -7.462 111.728 119.300 -0.183 0.000 3.730 531 C HA 0.239 nan 4.460 nan 0.000 0.397 531 C C 0.648 175.518 174.990 -0.201 0.000 1.468 531 C CA -2.252 56.566 59.018 -0.335 0.000 1.931 531 C CB 0.156 27.769 27.740 -0.211 0.000 2.773 531 C HN 0.283 8.508 8.230 -0.008 0.000 0.692 532 S N 2.646 118.174 115.700 -0.286 0.000 2.361 532 S HA -0.214 nan 4.470 nan 0.000 0.214 532 S C 0.410 174.879 174.600 -0.218 0.000 1.034 532 S CA 2.582 60.432 58.200 -0.583 0.000 1.025 532 S CB 0.110 62.435 63.200 -1.458 0.000 0.996 532 S HN -0.229 7.913 8.310 -0.279 0.000 0.422 533 C N -0.504 118.696 119.300 -0.166 0.000 2.876 533 C HA -0.105 nan 4.460 nan 0.000 0.276 533 C C 0.151 175.363 174.990 0.371 0.000 1.582 533 C CA 1.450 60.609 59.018 0.235 0.000 2.061 533 C CB 0.482 28.328 27.740 0.176 0.000 2.044 533 C HN -0.319 7.621 8.230 -0.268 0.129 0.647 534 G N -0.595 108.544 108.800 0.565 0.000 2.728 534 G HA2 -0.334 nan 3.960 nan 0.000 0.686 534 G HA3 -0.334 nan 3.960 nan 0.000 0.686 534 G C -1.419 173.681 174.900 0.334 0.000 1.337 534 G CA -0.545 44.797 45.100 0.403 0.000 0.861 534 G HN 0.143 8.834 8.290 0.669 0.000 0.597 535 W N 2.033 123.309 121.300 -0.040 0.000 2.190 535 W HA 0.035 nan 4.660 nan 0.000 0.330 535 W C -1.319 175.148 176.519 -0.085 0.000 1.299 535 W CA -1.777 55.471 57.345 -0.162 0.000 1.215 535 W CB 1.184 30.688 29.460 0.073 0.000 1.147 535 W HN 0.655 8.985 8.180 0.409 0.095 0.563 536 P HA -0.176 nan 4.420 nan 0.000 0.266 536 P C -1.049 176.089 177.300 -0.271 0.000 1.195 536 P CA 0.347 63.232 63.100 -0.358 0.000 0.768 536 P CB 0.385 31.721 31.700 -0.607 0.000 0.838 537 E N 3.849 123.977 120.200 -0.120 0.000 2.072 537 E HA -0.388 nan 4.350 nan 0.000 0.191 537 E C 2.062 178.691 176.600 0.049 0.000 0.985 537 E CA 3.421 59.842 56.400 0.035 0.000 0.801 537 E CB 0.047 29.785 29.700 0.064 0.000 0.750 537 E HN 0.716 9.024 8.360 -0.086 0.000 0.452 538 H N -3.214 115.875 119.070 0.032 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.806 177.281 175.328 0.245 0.000 1.087 538 H CA 2.424 58.513 56.048 0.069 0.000 1.330 538 H CB -0.739 29.055 29.762 0.055 0.000 1.388 538 H HN 0.222 8.448 8.280 -0.090 0.000 0.526 539 M N -2.004 117.509 119.600 -0.146 0.000 2.630 539 M HA -0.093 nan 4.480 nan 0.000 0.254 539 M C 1.718 178.225 176.300 0.346 0.000 1.092 539 M CA -0.366 54.988 55.300 0.090 0.000 1.087 539 M CB -1.547 30.948 32.600 -0.174 0.000 1.453 539 M HN -0.693 7.175 8.290 -0.626 0.047 0.509 540 L N -0.028 121.420 121.223 0.374 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.457 176.535 176.870 0.203 0.000 1.075 540 L CA 2.942 57.991 54.840 0.349 0.000 0.752 540 L CB 0.232 42.531 42.059 0.400 0.000 0.891 540 L HN -0.509 7.772 8.230 0.378 0.176 0.432 541 I N -4.631 116.001 120.570 0.103 0.000 2.797 541 I HA 0.200 nan 4.170 nan 0.000 0.307 541 I C -1.990 174.149 176.117 0.036 0.000 1.033 541 I CA -3.558 57.718 61.300 -0.040 0.000 1.071 541 I CB 0.838 38.692 38.000 -0.243 0.000 1.255 541 I HN -0.522 7.792 8.210 0.188 0.008 0.445 542 P HA 0.073 nan 4.420 nan 0.000 0.272 542 P C -1.425 175.893 177.300 0.030 0.000 1.240 542 P CA -0.621 62.478 63.100 -0.001 0.000 0.791 542 P CB 0.640 32.275 31.700 -0.108 0.000 0.978 543 R N 0.285 120.846 120.500 0.101 0.000 2.081 543 R HA -0.291 nan 4.340 nan 0.000 0.235 543 R C 0.693 177.053 176.300 0.100 0.000 1.131 543 R CA 1.125 57.252 56.100 0.045 0.000 0.960 543 R CB 0.581 30.754 30.300 -0.213 0.000 0.856 543 R HN -0.109 8.497 8.270 0.167 -0.236 0.436 544 G N -2.128 106.752 108.800 0.134 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.007 173.988 174.900 0.159 0.000 1.312 544 G CA -0.321 44.915 45.100 0.227 0.000 0.896 544 G HN -0.666 7.709 8.290 0.142 0.000 0.574 545 S N -0.558 115.244 115.700 0.171 0.000 2.685 545 S HA 0.306 nan 4.470 nan 0.000 0.282 545 S C 0.206 174.926 174.600 0.199 0.000 1.159 545 S CA -1.579 56.714 58.200 0.156 0.000 0.833 545 S CB 2.844 66.098 63.200 0.089 0.000 1.151 545 S HN -0.401 8.020 8.310 0.185 0.000 0.485 546 H N 4.139 123.291 119.070 0.137 0.000 2.421 546 H HA -0.225 nan 4.556 nan 0.000 0.298 546 H C -0.559 174.811 175.328 0.070 0.000 1.087 546 H CA 3.207 59.325 56.048 0.118 0.000 1.330 546 H CB 0.335 30.148 29.762 0.084 0.000 1.388 546 H HN 0.703 9.157 8.280 0.289 0.000 0.526 547 K N -5.599 114.886 120.400 0.141 0.000 2.211 547 K HA -0.182 nan 4.320 nan 0.000 0.203 547 K C 0.160 176.772 176.600 0.019 0.000 1.050 547 K CA 0.300 56.627 56.287 0.066 0.000 0.945 547 K CB -0.142 32.376 32.500 0.031 0.000 0.732 547 K HN -0.222 8.120 8.250 0.173 0.012 0.451 548 G N 0.837 109.658 108.800 0.036 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.386 173.552 174.900 0.064 0.000 1.013 548 G CA -0.532 44.597 45.100 0.049 0.000 1.226 548 G HN -0.424 7.721 8.290 0.063 0.183 0.563 549 M N 2.114 121.782 119.600 0.113 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.492 174.881 176.300 0.122 0.000 1.130 549 M CA 0.540 55.880 55.300 0.067 0.000 1.162 549 M CB 2.195 34.855 32.600 0.099 0.000 1.497 549 M HN 0.081 8.471 8.290 0.167 0.000 0.456 550 E N 3.247 123.464 120.200 0.028 0.000 2.227 550 E HA 0.544 nan 4.350 nan 0.000 0.282 550 E C -0.932 175.550 176.600 -0.196 0.000 1.015 550 E CA -0.178 56.270 56.400 0.081 0.000 0.823 550 E CB 1.318 31.133 29.700 0.192 0.000 1.081 550 E HN 0.225 8.596 8.360 0.018 0.000 0.396 551 F N 3.096 123.082 119.950 0.061 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.593 174.232 175.800 0.043 0.000 1.078 551 F CA -1.376 56.644 58.000 0.033 0.000 0.921 551 F CB 4.357 43.370 39.000 0.022 0.000 1.232 551 F HN 0.593 9.073 8.300 0.300 0.000 0.459 552 E N 1.522 121.851 120.200 0.217 0.000 2.313 552 E HA 0.433 nan 4.350 nan 0.000 0.276 552 E C -1.839 174.933 176.600 0.286 0.000 1.031 552 E CA -0.833 55.695 56.400 0.214 0.000 0.857 552 E CB 2.404 32.229 29.700 0.208 0.000 1.040 552 E HN 0.819 9.179 8.360 0.156 0.093 0.408 553 L N 6.898 128.273 121.223 0.254 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.269 174.775 176.870 0.290 0.000 1.013 553 L CA -0.793 54.192 54.840 0.242 0.000 0.819 553 L CB 2.353 44.507 42.059 0.158 0.000 1.227 553 L HN 0.399 8.655 8.230 0.212 0.101 0.417 554 F N 9.502 129.568 119.950 0.194 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.412 173.473 175.800 0.141 0.000 1.115 554 F CA -1.925 56.190 58.000 0.191 0.000 0.955 554 F CB 3.547 42.711 39.000 0.272 0.000 1.136 554 F HN 0.766 9.327 8.300 0.437 0.000 0.452 555 V N 8.461 128.009 119.914 -0.611 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.140 176.094 -0.705 0.000 1.042 555 V CA -1.440 60.594 62.300 -0.443 0.000 0.877 555 V CB 2.938 34.596 31.823 -0.276 0.000 0.996 555 V HN 0.989 8.691 8.190 -0.814 0.000 0.425 556 M N 5.560 124.942 119.600 -0.364 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.578 176.300 -0.125 0.000 1.141 556 M CA -1.291 53.868 55.300 -0.235 0.000 0.901 556 M CB 4.395 37.014 32.600 0.033 0.000 1.687 556 M HN 0.670 8.853 8.290 -0.179 0.000 0.449 557 L N 5.237 126.397 121.223 -0.105 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.709 175.098 176.870 -0.105 0.000 1.006 557 L CA -0.748 54.010 54.840 -0.137 0.000 0.817 557 L CB 1.955 43.917 42.059 -0.161 0.000 1.272 557 L HN 0.440 8.615 8.230 -0.091 0.000 0.421 558 T N 2.234 116.687 114.554 -0.168 0.000 2.916 558 T HA 0.344 nan 4.350 nan 0.000 0.292 558 T C -1.923 172.543 174.700 -0.390 0.000 1.064 558 T CA -1.674 60.334 62.100 -0.153 0.000 1.011 558 T CB 3.251 72.106 68.868 -0.022 0.000 1.152 558 T HN -0.001 8.119 8.240 -0.200 0.000 0.510 559 D N 1.171 121.363 120.400 -0.346 0.000 2.358 559 D HA 0.043 nan 4.640 nan 0.000 0.258 559 D C 0.400 176.663 176.300 -0.062 0.000 1.223 559 D CA -0.532 53.271 54.000 -0.328 0.000 0.886 559 D CB 0.553 41.479 40.800 0.211 0.000 1.120 559 D HN 0.379 8.701 8.370 -0.080 0.000 0.482 560 H N 8.657 127.699 119.070 -0.047 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.727 177.079 175.328 0.041 0.000 1.081 560 H CA 4.083 60.179 56.048 0.081 0.000 1.345 560 H CB 0.633 30.612 29.762 0.362 0.000 1.393 560 H HN 0.246 8.570 8.280 0.074 0.000 0.520 561 D N -0.527 119.944 120.400 0.119 0.000 2.123 561 D HA -0.262 nan 4.640 nan 0.000 0.196 561 D C 1.795 178.058 176.300 -0.061 0.000 0.992 561 D CA 3.117 57.136 54.000 0.031 0.000 0.833 561 D CB -0.500 40.364 40.800 0.106 0.000 0.954 561 D HN -0.110 8.681 8.370 0.218 -0.290 0.455 562 E N -0.886 119.294 120.200 -0.033 0.000 2.047 562 E HA -0.221 nan 4.350 nan 0.000 0.191 562 E C 1.268 177.787 176.600 -0.134 0.000 0.987 562 E CA 2.191 58.556 56.400 -0.059 0.000 0.799 562 E CB 0.230 29.913 29.700 -0.028 0.000 0.752 562 E HN -0.478 7.893 8.360 0.022 0.002 0.449 563 D N -2.047 118.236 120.400 -0.194 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.250 176.377 176.300 -0.288 0.000 0.984 563 D CA 1.862 55.724 54.000 -0.231 0.000 0.834 563 D CB 0.443 41.109 40.800 -0.223 0.000 0.955 563 D HN -0.468 7.737 8.370 -0.167 0.065 0.465 564 T N -0.971 113.306 114.554 -0.463 0.000 2.882 564 T HA 0.065 nan 4.350 nan 0.000 0.287 564 T C -0.029 174.551 174.700 -0.200 0.000 1.014 564 T CA 0.088 61.963 62.100 -0.374 0.000 1.049 564 T CB 0.853 69.431 68.868 -0.483 0.000 1.001 564 T HN -0.300 7.592 8.240 -0.580 0.000 0.525 565 V N -0.148 119.686 119.914 -0.134 0.000 2.834 565 V HA 0.395 nan 4.120 nan 0.000 0.313 565 V C -1.032 175.017 176.094 -0.075 0.000 1.060 565 V CA -2.912 59.338 62.300 -0.083 0.000 0.989 565 V CB 1.370 33.162 31.823 -0.052 0.000 1.041 565 V HN 0.110 8.219 8.190 -0.135 0.000 0.459 566 A N 2.195 124.982 122.820 -0.055 0.000 2.325 566 A HA 0.573 nan 4.320 nan 0.000 0.333 566 A C -0.631 176.933 177.584 -0.033 0.000 1.155 566 A CA -0.396 51.612 52.037 -0.048 0.000 0.814 566 A CB 1.625 20.600 19.000 -0.042 0.000 1.206 566 A HN 0.371 8.493 8.150 -0.047 0.000 0.482 567 G N -1.079 107.702 108.800 -0.031 0.000 2.322 567 G HA2 0.082 nan 3.960 nan 0.000 0.295 567 G HA3 0.082 nan 3.960 nan 0.000 0.295 567 G C -1.970 172.917 174.900 -0.022 0.000 1.369 567 G CA -0.202 44.886 45.100 -0.020 0.000 0.821 567 G HN -0.123 8.145 8.290 -0.037 0.000 0.536 568 L N 0.836 122.050 121.223 -0.015 0.000 2.415 568 L HA 0.406 nan 4.340 nan 0.000 0.268 568 L C -0.483 176.380 176.870 -0.011 0.000 0.984 568 L CA 0.217 55.048 54.840 -0.015 0.000 0.853 568 L CB 1.000 43.051 42.059 -0.012 0.000 1.215 568 L HN 0.256 8.481 8.230 -0.009 0.000 0.419 569 S N 3.636 119.327 115.700 -0.015 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.006 173.586 174.600 -0.014 0.000 1.051 569 S CA -0.905 57.289 58.200 -0.011 0.000 1.729 569 S CB 1.026 64.218 63.200 -0.013 0.000 0.892 569 S HN 0.344 8.642 8.310 -0.021 0.000 0.720 570 E N 1.249 121.440 120.200 -0.016 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.863 175.725 176.600 -0.020 0.000 1.028 570 E CA -0.678 55.713 56.400 -0.016 0.000 0.897 570 E CB 1.532 31.223 29.700 -0.014 0.000 1.262 570 E HN 0.144 8.493 8.360 -0.018 0.000 0.442 571 N N -0.896 117.793 118.700 -0.019 0.000 2.235 571 N HA -0.107 nan 4.740 nan 0.000 0.231 571 N C -1.199 174.298 175.510 -0.022 0.000 1.330 571 N CA -0.075 52.963 53.050 -0.020 0.000 0.898 571 N CB 0.452 38.928 38.487 -0.018 0.000 1.151 571 N HN -0.103 8.267 8.380 -0.017 0.000 0.472 572 A N -0.852 121.955 122.820 -0.022 0.000 2.476 572 A HA 0.002 nan 4.320 nan 0.000 0.275 572 A C -1.314 176.259 177.584 -0.018 0.000 1.133 572 A CA 0.457 52.481 52.037 -0.022 0.000 0.797 572 A CB 0.101 19.088 19.000 -0.022 0.000 1.081 572 A HN 0.163 8.300 8.150 -0.022 0.000 0.510 573 V N 3.149 123.051 119.914 -0.019 0.000 3.528 573 V HA 0.272 nan 4.120 nan 0.000 0.301 573 V C -0.898 175.186 176.094 -0.017 0.000 1.332 573 V CA -2.199 60.093 62.300 -0.014 0.000 1.004 573 V CB 3.817 35.630 31.823 -0.016 0.000 1.222 573 V HN -0.083 8.094 8.190 -0.022 0.000 0.478 574 C N 2.140 121.431 119.300 -0.015 0.000 2.551 574 C HA 0.216 nan 4.460 nan 0.000 0.378 574 C C 0.256 175.238 174.990 -0.014 0.000 1.101 574 C CA 0.263 59.270 59.018 -0.020 0.000 1.360 574 C CB -2.862 24.869 27.740 -0.015 0.000 1.895 574 C HN 0.092 8.314 8.230 -0.013 0.000 0.540 575 S N 6.565 122.254 115.700 -0.020 0.000 2.679 575 S HA 0.082 nan 4.470 nan 0.000 0.258 575 S C 0.921 175.512 174.600 -0.014 0.000 1.068 575 S CA 0.905 59.096 58.200 -0.016 0.000 1.115 575 S CB 1.362 64.547 63.200 -0.025 0.000 1.078 575 S HN 0.448 8.715 8.310 -0.027 0.028 0.603 576 D N 3.909 124.295 120.400 -0.023 0.000 2.370 576 D HA -0.356 nan 4.640 nan 0.000 0.190 576 D C -0.298 175.995 176.300 -0.012 0.000 1.019 576 D CA 2.968 56.952 54.000 -0.027 0.000 0.869 576 D CB -0.025 40.747 40.800 -0.048 0.000 0.944 576 D HN 0.370 8.721 8.370 -0.032 0.000 0.456 577 A N -3.280 119.547 122.820 0.011 0.000 2.462 577 A HA 0.223 nan 4.320 nan 0.000 0.261 577 A C 1.185 178.817 177.584 0.079 0.000 1.323 577 A CA -0.521 51.543 52.037 0.046 0.000 0.913 577 A CB -0.308 18.753 19.000 0.101 0.000 1.028 577 A HN -0.182 7.962 8.150 0.010 0.012 0.511 578 V N -2.901 117.037 119.914 0.040 0.000 2.370 578 V HA -0.542 nan 4.120 nan 0.000 0.252 578 V C 1.922 178.090 176.094 0.123 0.000 1.068 578 V CA 3.416 65.741 62.300 0.041 0.000 1.061 578 V CB -1.347 30.432 31.823 -0.074 0.000 0.656 578 V HN -0.199 7.914 8.190 0.011 0.084 0.455 579 S N 2.118 117.855 115.700 0.062 0.000 2.374 579 S HA -0.341 nan 4.470 nan 0.000 0.227 579 S C 2.114 176.952 174.600 0.397 0.000 1.037 579 S CA 3.900 62.168 58.200 0.113 0.000 1.024 579 S CB -0.053 63.041 63.200 -0.175 0.000 0.861 579 S HN -0.451 7.821 8.310 -0.018 0.027 0.456 580 Y N -1.289 119.218 120.300 0.345 0.000 2.558 580 Y HA 0.156 nan 4.550 nan 0.000 0.273 580 Y C 1.524 177.729 175.900 0.509 0.000 1.100 580 Y CA 0.178 58.528 58.100 0.416 0.000 1.276 580 Y CB -0.004 38.657 38.460 0.333 0.000 1.196 580 Y HN -0.720 7.677 8.280 0.229 0.021 0.527 581 C N -3.815 115.842 119.300 0.594 0.000 2.504 581 C HA 0.093 nan 4.460 nan 0.000 0.279 581 C C 0.326 175.565 174.990 0.414 0.000 1.358 581 C CA 1.893 61.209 59.018 0.495 0.000 1.747 581 C CB -0.075 27.887 27.740 0.370 0.000 2.037 581 C HN -0.325 8.193 8.230 0.480 0.000 0.503 582 G N -1.136 107.895 108.800 0.385 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.395 172.588 174.900 0.139 0.000 1.345 582 G CA -0.584 44.714 45.100 0.330 0.000 0.877 582 G HN -0.345 8.032 8.290 0.360 0.129 0.549 583 A N -0.246 122.621 122.820 0.078 0.000 2.380 583 A HA 0.306 nan 4.320 nan 0.000 0.315 583 A C -0.909 176.677 177.584 0.002 0.000 1.101 583 A CA -1.555 50.491 52.037 0.015 0.000 0.771 583 A CB 2.587 21.572 19.000 -0.024 0.000 1.287 583 A HN 0.220 8.439 8.150 0.115 0.000 0.436 584 R N 2.164 122.650 120.500 -0.023 0.000 2.484 584 R HA -0.286 nan 4.340 nan 0.000 0.293 584 R C -0.163 176.117 176.300 -0.033 0.000 1.023 584 R CA 0.952 57.023 56.100 -0.049 0.000 1.037 584 R CB -0.259 30.012 30.300 -0.048 0.000 0.951 584 R HN 0.336 8.594 8.270 -0.019 0.000 0.418 585 D N 3.943 124.321 120.400 -0.038 0.000 2.701 585 D HA -0.289 nan 4.640 nan 0.000 0.235 585 D C -1.637 174.665 176.300 0.003 0.000 1.155 585 D CA 1.542 55.538 54.000 -0.006 0.000 0.649 585 D CB -0.442 40.364 40.800 0.011 0.000 1.050 585 D HN 0.246 8.574 8.370 -0.070 0.000 0.425 586 D N -1.918 118.485 120.400 0.005 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.779 174.542 176.300 0.035 0.000 1.178 586 D CA -1.177 52.830 54.000 0.011 0.000 0.881 586 D CB 2.381 43.177 40.800 -0.006 0.000 1.453 586 D HN -0.781 7.580 8.370 0.003 0.011 0.447 587 R N 2.918 123.439 120.500 0.035 0.000 2.582 587 R HA 0.010 nan 4.340 nan 0.000 0.271 587 R C -0.792 175.558 176.300 0.083 0.000 1.078 587 R CA -0.186 55.954 56.100 0.067 0.000 1.127 587 R CB 1.095 31.423 30.300 0.046 0.000 1.038 587 R HN 0.389 8.670 8.270 0.018 0.000 0.500 588 Y N 3.848 124.159 120.300 0.019 0.000 2.632 588 Y HA -0.064 nan 4.550 nan 0.000 0.329 588 Y C -1.717 174.181 175.900 -0.004 0.000 1.174 588 Y CA -1.607 56.505 58.100 0.019 0.000 1.469 588 Y CB 1.000 39.469 38.460 0.017 0.000 1.242 588 Y HN 0.236 8.669 8.280 0.254 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.988 175.187 177.300 -0.209 0.000 1.184 589 P CA 0.774 63.707 63.100 -0.279 0.000 0.760 589 P CB 0.242 31.776 31.700 -0.277 0.000 0.884 590 D N -3.780 116.545 120.400 -0.125 0.000 2.505 590 D HA 0.085 nan 4.640 nan 0.000 0.249 590 D C -0.633 175.727 176.300 0.100 0.000 1.082 590 D CA -1.678 52.331 54.000 0.016 0.000 0.839 590 D CB 2.598 43.463 40.800 0.108 0.000 1.317 590 D HN -0.962 7.314 8.370 -0.042 0.068 0.497 591 K N 5.066 125.453 120.400 -0.022 0.000 2.097 591 K HA -0.228 nan 4.320 nan 0.000 0.205 591 K C 0.665 177.225 176.600 -0.066 0.000 1.050 591 K CA 0.819 57.080 56.287 -0.044 0.000 0.938 591 K CB 0.414 32.858 32.500 -0.093 0.000 0.718 591 K HN 0.311 8.411 8.250 -0.078 0.103 0.442 592 K N -1.203 119.126 120.400 -0.118 0.000 2.380 592 K HA -0.132 nan 4.320 nan 0.000 0.267 592 K C 0.033 176.590 176.600 -0.072 0.000 0.990 592 K CA 0.098 56.257 56.287 -0.214 0.000 0.946 592 K CB 0.380 32.645 32.500 -0.390 0.000 0.937 592 K HN -0.603 7.873 8.250 -0.112 -0.293 0.491 593 A N 2.057 124.851 122.820 -0.044 0.000 2.483 593 A HA 0.151 nan 4.320 nan 0.000 0.238 593 A C 0.102 177.718 177.584 0.054 0.000 1.070 593 A CA 0.355 52.407 52.037 0.025 0.000 0.770 593 A CB 0.416 19.476 19.000 0.100 0.000 1.008 593 A HN 0.222 8.311 8.150 -0.101 0.000 0.497 594 M N 2.737 122.308 119.600 -0.048 0.000 2.246 594 M HA -0.330 nan 4.480 nan 0.000 0.350 594 M C 0.741 177.082 176.300 0.068 0.000 1.406 594 M CA 2.224 57.399 55.300 -0.208 0.000 1.089 594 M CB -0.025 32.186 32.600 -0.649 0.000 1.782 594 M HN 0.278 8.897 8.290 -0.052 -0.359 0.457 595 G N 0.866 109.784 108.800 0.197 0.000 2.176 595 G HA2 -0.318 nan 3.960 nan 0.000 0.232 595 G HA3 -0.318 nan 3.960 nan 0.000 0.232 595 G C -0.709 174.304 174.900 0.189 0.000 0.986 595 G CA -0.421 44.918 45.100 0.398 0.000 0.643 595 G HN 0.269 8.647 8.290 0.146 0.000 0.522 596 F N 3.310 123.272 119.950 0.020 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.198 173.423 175.800 -0.299 0.000 1.126 596 F CA -0.977 56.936 58.000 -0.146 0.000 1.321 596 F CB 1.125 40.043 39.000 -0.137 0.000 1.094 596 F HN -0.534 7.899 8.300 0.326 0.062 0.594 597 P HA -0.049 nan 4.420 nan 0.000 0.245 597 P C 0.022 176.641 177.300 -1.136 0.000 1.212 597 P CA 0.985 62.934 63.100 -1.918 0.000 0.774 597 P CB -0.072 30.579 31.700 -1.749 0.000 0.999 598 F N -0.815 118.760 119.950 -0.625 0.000 2.407 598 F HA -0.338 nan 4.527 nan 0.000 0.299 598 F C 0.524 176.235 175.800 -0.149 0.000 1.097 598 F CA 2.884 60.601 58.000 -0.473 0.000 1.422 598 F CB -0.927 37.745 39.000 -0.546 0.000 1.067 598 F HN -0.042 7.639 8.300 -0.893 0.083 0.539 599 D N -2.814 117.659 120.400 0.122 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.366 176.757 176.300 0.151 0.000 0.980 599 D CA 2.179 56.297 54.000 0.197 0.000 0.842 599 D CB -0.451 40.491 40.800 0.236 0.000 0.948 599 D HN 0.023 8.382 8.370 0.067 0.051 0.472 600 R N -1.585 119.008 120.500 0.155 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.363 175.953 176.300 0.027 0.000 1.048 600 R CA -1.210 54.916 56.100 0.043 0.000 1.086 600 R CB 1.500 31.700 30.300 -0.166 0.000 1.166 600 R HN -0.898 7.529 8.270 0.262 0.000 0.526 601 K N 0.893 121.298 120.400 0.008 0.000 2.436 601 K HA -0.112 nan 4.320 nan 0.000 0.275 601 K C -0.628 175.984 176.600 0.021 0.000 0.999 601 K CA 0.522 56.816 56.287 0.012 0.000 0.980 601 K CB 0.398 32.901 32.500 0.005 0.000 0.919 601 K HN 0.268 8.515 8.250 -0.006 0.000 0.484 602 I N 5.466 126.041 120.570 0.009 0.000 2.362 602 I HA -0.040 nan 4.170 nan 0.000 0.289 602 I C -0.483 175.673 176.117 0.065 0.000 0.994 602 I CA -0.568 60.750 61.300 0.030 0.000 1.158 602 I CB 1.013 38.959 38.000 -0.091 0.000 1.315 602 I HN 0.137 8.349 8.210 0.003 0.000 0.451 603 E N 6.267 126.529 120.200 0.104 0.000 2.204 603 E HA -0.164 nan 4.350 nan 0.000 0.194 603 E C -0.134 176.516 176.600 0.083 0.000 0.989 603 E CA 1.089 57.538 56.400 0.081 0.000 0.824 603 E CB -0.096 29.650 29.700 0.078 0.000 0.756 603 E HN 0.414 8.851 8.360 0.128 0.000 0.477 604 A N -2.133 120.763 122.820 0.126 0.000 2.536 604 A HA -0.143 nan 4.320 nan 0.000 0.234 604 A C 0.539 178.167 177.584 0.074 0.000 1.076 604 A CA 0.895 53.002 52.037 0.117 0.000 0.769 604 A CB 0.389 19.501 19.000 0.187 0.000 1.020 604 A HN -0.380 7.877 8.150 0.179 0.000 0.508 605 R N -0.958 119.579 120.500 0.061 0.000 2.075 605 R HA -0.007 nan 4.340 nan 0.000 0.220 605 R C 0.768 177.089 176.300 0.035 0.000 1.118 605 R CA 0.850 56.973 56.100 0.039 0.000 0.986 605 R CB 0.283 30.601 30.300 0.029 0.000 0.884 605 R HN -0.066 8.543 8.270 0.066 -0.299 0.439 606 T N -2.865 111.718 114.554 0.048 0.000 2.888 606 T HA 0.243 nan 4.350 nan 0.000 0.284 606 T C 0.375 175.129 174.700 0.089 0.000 1.017 606 T CA -2.353 59.777 62.100 0.049 0.000 1.022 606 T CB 1.892 70.782 68.868 0.038 0.000 1.013 606 T HN -0.826 7.448 8.240 0.056 0.000 0.465 607 A N 6.653 129.529 122.820 0.094 0.000 1.971 607 A HA -0.362 nan 4.320 nan 0.000 0.222 607 A C 1.420 179.125 177.584 0.201 0.000 1.182 607 A CA 3.259 55.384 52.037 0.147 0.000 0.649 607 A CB -0.360 18.735 19.000 0.159 0.000 0.818 607 A HN 0.902 9.090 8.150 0.064 0.000 0.458 608 A N -2.600 120.312 122.820 0.153 0.000 1.933 608 A HA -0.279 nan 4.320 nan 0.000 0.218 608 A C 2.550 180.219 177.584 0.140 0.000 1.175 608 A CA 2.684 54.808 52.037 0.146 0.000 0.628 608 A CB -0.632 18.424 19.000 0.094 0.000 0.814 608 A HN -0.449 7.727 8.150 0.116 0.043 0.444 609 E N -1.678 118.599 120.200 0.127 0.000 2.153 609 E HA -0.328 nan 4.350 nan 0.000 0.194 609 E C 1.165 177.832 176.600 0.112 0.000 0.988 609 E CA 2.001 58.460 56.400 0.100 0.000 0.811 609 E CB -0.146 29.607 29.700 0.089 0.000 0.746 609 E HN -0.471 7.838 8.360 0.124 0.126 0.466 610 F N -2.703 117.270 119.950 0.038 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.307 175.514 175.800 0.035 0.000 1.090 610 F CA 1.484 59.498 58.000 0.022 0.000 1.307 610 F CB 0.631 39.627 39.000 -0.006 0.000 1.019 610 F HN -0.624 7.705 8.300 0.312 0.158 0.489 611 L N -0.996 120.309 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.388 177.223 176.870 -0.059 0.000 1.218 611 L CA 0.847 55.749 54.840 0.103 0.000 0.878 611 L CB -0.157 41.996 42.059 0.156 0.000 1.127 611 L HN -0.708 7.498 8.230 0.215 0.153 0.492 612 T N -0.342 114.170 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.605 174.081 174.700 -0.022 0.000 0.989 612 T CA -3.104 58.952 62.100 -0.073 0.000 0.968 612 T CB 0.478 69.296 68.868 -0.084 0.000 1.135 612 T HN -0.517 7.715 8.240 -0.012 0.000 0.562 613 P HA -0.030 nan 4.420 nan 0.000 0.223 613 P C -0.755 176.546 177.300 0.001 0.000 1.151 613 P CA 1.933 65.029 63.100 -0.006 0.000 0.787 613 P CB 0.137 31.833 31.700 -0.006 0.000 0.788 614 N N -4.038 114.672 118.700 0.016 0.000 2.327 614 N HA 0.017 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.888 175.510 -0.046 0.000 1.130 614 N CA -0.827 52.234 53.050 0.018 0.000 0.845 614 N CB -0.281 38.264 38.487 0.096 0.000 1.073 614 N HN -0.460 7.890 8.380 0.018 0.041 0.496 615 M N -1.145 118.411 119.600 -0.073 0.000 2.619 615 M HA 0.588 nan 4.480 nan 0.000 0.297 615 M C -1.417 174.763 176.300 -0.199 0.000 1.229 615 M CA -0.416 54.766 55.300 -0.198 0.000 0.860 615 M CB 5.273 37.881 32.600 0.013 0.000 1.741 615 M HN -0.693 7.480 8.290 -0.040 0.093 0.462 616 G N -1.025 107.547 108.800 -0.380 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.576 171.243 174.900 -0.134 0.000 1.436 616 G CA 0.129 45.129 45.100 -0.168 0.000 0.928 616 G HN 0.469 8.276 8.290 -0.804 0.000 0.520 617 L N 0.168 121.420 121.223 0.049 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.879 176.052 176.870 0.102 0.000 0.988 617 L CA -0.612 54.317 54.840 0.149 0.000 0.824 617 L CB 3.033 45.240 42.059 0.246 0.000 1.263 617 L HN 0.053 8.316 8.230 0.056 0.000 0.410 618 T N 5.750 120.368 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.982 172.781 174.700 0.105 0.000 0.993 618 T CA -1.187 60.965 62.100 0.088 0.000 0.967 618 T CB 2.130 71.044 68.868 0.077 0.000 0.960 618 T HN 0.742 8.949 8.240 0.133 0.113 0.441 619 D N 4.553 125.006 120.400 0.088 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.025 175.328 176.300 0.088 0.000 1.114 619 D CA -0.930 53.126 54.000 0.093 0.000 0.854 619 D CB 0.493 41.334 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.496 116.141 120.570 0.111 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.877 174.315 176.117 0.126 0.000 1.095 620 I CA -2.569 58.782 61.300 0.085 0.000 1.000 620 I CB 3.830 41.855 38.000 0.042 0.000 1.229 620 I HN 0.394 8.693 8.210 0.147 0.000 0.454 621 K N -0.635 119.819 120.400 0.090 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.080 176.600 0.097 0.000 0.942 621 K CA -2.229 54.134 56.287 0.126 0.000 0.816 621 K CB 3.061 35.606 32.500 0.075 0.000 1.155 621 K HN 0.265 8.540 8.250 0.042 0.000 0.428 622 I N 2.691 123.361 120.570 0.167 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.041 174.144 176.117 0.112 0.000 0.999 622 I CA -0.985 60.367 61.300 0.086 0.000 1.129 622 I CB 1.944 39.965 38.000 0.035 0.000 1.288 622 I HN 0.699 9.077 8.210 0.281 0.000 0.444 623 K N 5.120 125.558 120.400 0.063 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.875 176.600 0.083 0.000 0.934 623 K CA -2.343 53.974 56.287 0.050 0.000 0.801 623 K CB 2.775 35.246 32.500 -0.049 0.000 1.137 623 K HN 0.570 8.840 8.250 0.033 0.000 0.424 624 F N 4.896 124.847 119.950 0.000 0.000 2.375 624 F HA 0.342 nan 4.527 nan 0.000 0.333 624 F C -1.648 174.200 175.800 0.079 0.000 1.104 624 F CA -0.967 57.057 58.000 0.040 0.000 1.149 624 F CB 2.663 41.684 39.000 0.035 0.000 1.190 624 F HN 0.545 8.827 8.300 0.255 0.171 0.533 625 H N 7.124 125.552 119.070 -1.071 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.220 173.676 175.328 -0.721 0.000 1.066 625 H CA -1.696 53.990 56.048 -0.604 0.000 1.209 625 H CB 3.242 32.740 29.762 -0.440 0.000 1.445 625 H HN 0.335 7.508 8.280 -1.845 0.000 0.488 626 G N 0.000 108.527 108.800 -0.456 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.011 45.100 -0.149 0.000 0.502 626 G HN 0.000 8.010 8.290 -0.467 0.000 0.925