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 3ixw_1_D 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 0.000 174.503 174.700 -0.329 0.000 1.109 1 T CA 0.000 61.866 62.100 -0.390 0.000 1.349 1 T CB 0.000 68.769 68.868 -0.165 0.000 0.612 2 V N 1.809 121.558 119.914 -0.275 0.000 2.759 2 V HA -0.141 nan 4.120 nan 0.000 0.256 2 V C 1.237 177.260 176.094 -0.119 0.000 1.080 2 V CA 2.475 64.657 62.300 -0.197 0.000 1.101 2 V CB -0.536 31.175 31.823 -0.187 0.000 0.698 2 V HN 0.562 8.597 8.190 -0.258 0.000 0.477 3 A N 0.193 122.958 122.820 -0.093 0.000 1.828 3 A HA -0.306 nan 4.320 nan 0.000 0.215 3 A C 0.510 178.086 177.584 -0.013 0.000 1.203 3 A CA 3.547 55.553 52.037 -0.052 0.000 0.614 3 A CB -0.847 18.131 19.000 -0.037 0.000 0.844 3 A HN -0.094 7.980 8.150 -0.105 0.013 0.445 4 D N -2.127 118.283 120.400 0.016 0.000 2.263 4 D HA -0.265 nan 4.640 nan 0.000 0.208 4 D C 2.142 178.516 176.300 0.124 0.000 0.971 4 D CA 2.821 56.866 54.000 0.074 0.000 0.867 4 D CB -0.747 40.115 40.800 0.102 0.000 0.929 4 D HN 0.025 8.393 8.370 -0.002 0.000 0.492 5 K N 0.221 120.694 120.400 0.121 0.000 2.009 5 K HA -0.445 nan 4.320 nan 0.000 0.210 5 K C 2.329 178.994 176.600 0.108 0.000 1.049 5 K CA 3.149 59.542 56.287 0.177 0.000 0.929 5 K CB -0.097 32.460 32.500 0.096 0.000 0.714 5 K HN -0.106 8.157 8.250 0.052 0.018 0.440 6 Q N -2.162 117.648 119.800 0.016 0.000 2.096 6 Q HA -0.304 nan 4.340 nan 0.000 0.204 6 Q C 2.412 178.422 176.000 0.017 0.000 0.982 6 Q CA 2.831 58.619 55.803 -0.026 0.000 0.850 6 Q CB -0.092 28.599 28.738 -0.077 0.000 0.901 6 Q HN -0.619 7.641 8.270 -0.017 0.000 0.422 7 A N -3.510 119.337 122.820 0.045 0.000 2.248 7 A HA -0.150 nan 4.320 nan 0.000 0.210 7 A C 0.773 178.421 177.584 0.107 0.000 1.174 7 A CA 1.601 53.680 52.037 0.070 0.000 0.750 7 A CB -0.668 18.371 19.000 0.064 0.000 0.780 7 A HN -0.068 8.036 8.150 0.038 0.068 0.478 8 R N -3.330 117.252 120.500 0.137 0.000 2.121 8 R HA 0.080 nan 4.340 nan 0.000 0.206 8 R C 1.909 178.330 176.300 0.202 0.000 1.094 8 R CA 2.094 58.290 56.100 0.160 0.000 1.055 8 R CB 0.640 31.039 30.300 0.166 0.000 0.964 8 R HN -0.588 7.605 8.270 0.142 0.162 0.473 9 L N 0.266 121.637 121.223 0.246 0.000 1.976 9 L HA -0.350 nan 4.340 nan 0.000 0.209 9 L C 2.305 179.384 176.870 0.348 0.000 1.071 9 L CA 3.820 58.862 54.840 0.337 0.000 0.746 9 L CB -0.087 42.164 42.059 0.320 0.000 0.890 9 L HN -0.558 7.810 8.230 0.230 0.000 0.432 10 M N -2.701 116.974 119.600 0.124 0.000 2.117 10 M HA -0.283 nan 4.480 nan 0.000 0.262 10 M C -1.111 175.418 176.300 0.382 0.000 1.065 10 M CA 5.610 60.974 55.300 0.107 0.000 1.114 10 M CB -2.425 29.988 32.600 -0.312 0.000 1.361 10 M HN -0.560 7.762 8.290 0.053 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.315 177.762 177.300 0.244 0.000 1.151 11 P CA 2.917 66.166 63.100 0.249 0.000 0.849 11 P CB -0.590 31.215 31.700 0.176 0.000 0.787 12 L N -5.452 115.936 121.223 0.274 0.000 2.093 12 L HA -0.247 nan 4.340 nan 0.000 0.208 12 L C 1.007 177.989 176.870 0.186 0.000 1.085 12 L CA 1.967 56.927 54.840 0.201 0.000 0.755 12 L CB -0.057 42.113 42.059 0.185 0.000 0.904 12 L HN -0.750 7.575 8.230 0.300 0.085 0.435 13 F N -5.425 114.636 119.950 0.185 0.000 2.802 13 F HA -0.130 nan 4.527 nan 0.000 0.300 13 F C 0.568 176.447 175.800 0.131 0.000 1.168 13 F CA 1.045 59.165 58.000 0.201 0.000 1.433 13 F CB -0.288 38.901 39.000 0.315 0.000 1.115 13 F HN -0.620 8.100 8.300 0.816 0.069 0.582 14 K N 0.570 121.114 120.400 0.240 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.325 175.075 176.600 -0.334 0.000 1.126 14 K CA 0.629 56.826 56.287 -0.150 0.000 1.005 14 K CB -1.295 31.171 32.500 -0.058 0.000 1.336 14 K HN -0.347 7.941 8.250 0.341 0.167 0.369 15 H N -1.841 117.201 119.070 -0.046 0.000 3.138 15 H HA -0.359 nan 4.556 nan 0.000 0.337 15 H C -0.659 174.609 175.328 -0.101 0.000 1.347 15 H CA -0.113 55.876 56.048 -0.099 0.000 1.254 15 H CB -3.368 26.315 29.762 -0.132 0.000 1.456 15 H HN 0.241 8.281 8.280 -0.360 0.025 0.453 16 L N -0.404 120.767 121.223 -0.088 0.000 1.933 16 L HA -0.334 nan 4.340 nan 0.000 0.220 16 L C 1.176 177.981 176.870 -0.109 0.000 1.078 16 L CA 3.077 57.818 54.840 -0.165 0.000 0.773 16 L CB -0.299 41.582 42.059 -0.297 0.000 0.890 16 L HN -0.135 8.024 8.230 -0.120 0.000 0.434 17 T N 0.588 115.106 114.554 -0.061 0.000 2.668 17 T HA -0.535 nan 4.350 nan 0.000 0.265 17 T C 2.018 176.712 174.700 -0.010 0.000 1.041 17 T CA 4.367 66.482 62.100 0.026 0.000 1.160 17 T CB -1.057 67.868 68.868 0.095 0.000 0.857 17 T HN 0.313 8.490 8.240 -0.105 0.000 0.455 18 A N 0.884 123.690 122.820 -0.024 0.000 2.186 18 A HA -0.181 nan 4.320 nan 0.000 0.219 18 A C 2.348 179.899 177.584 -0.056 0.000 1.159 18 A CA 2.316 54.331 52.037 -0.037 0.000 0.680 18 A CB -1.159 17.817 19.000 -0.040 0.000 0.787 18 A HN 0.078 8.216 8.150 -0.020 0.000 0.467 19 L N -2.927 118.252 121.223 -0.073 0.000 2.191 19 L HA -0.344 nan 4.340 nan 0.000 0.212 19 L C 1.638 178.434 176.870 -0.124 0.000 1.103 19 L CA 2.213 56.992 54.840 -0.102 0.000 0.769 19 L CB -0.392 41.588 42.059 -0.132 0.000 0.908 19 L HN -0.158 7.975 8.230 -0.071 0.054 0.438 20 T N -2.071 112.419 114.554 -0.107 0.000 2.737 20 T HA -0.290 nan 4.350 nan 0.000 0.269 20 T C 0.090 174.728 174.700 -0.103 0.000 1.040 20 T CA 2.638 64.671 62.100 -0.112 0.000 1.142 20 T CB -0.119 68.712 68.868 -0.062 0.000 0.861 20 T HN -0.085 7.950 8.240 -0.081 0.157 0.456 21 R N -0.065 120.388 120.500 -0.079 0.000 2.265 21 R HA 0.291 nan 4.340 nan 0.000 0.328 21 R C -1.309 174.948 176.300 -0.072 0.000 0.969 21 R CA -0.248 55.810 56.100 -0.071 0.000 0.832 21 R CB 1.367 31.636 30.300 -0.052 0.000 1.139 21 R HN -0.690 7.511 8.270 -0.072 0.026 0.457 22 E N 2.701 122.855 120.200 -0.077 0.000 2.435 22 E HA 0.142 nan 4.350 nan 0.000 0.272 22 E C -1.905 174.658 176.600 -0.062 0.000 1.031 22 E CA -1.757 54.601 56.400 -0.071 0.000 0.872 22 E CB 3.892 33.542 29.700 -0.083 0.000 1.588 22 E HN 0.010 8.321 8.360 -0.082 0.000 0.460 23 K N 0.286 120.654 120.400 -0.054 0.000 2.276 23 K HA 0.068 nan 4.320 nan 0.000 0.283 23 K C -1.289 175.283 176.600 -0.047 0.000 1.044 23 K CA 0.145 56.406 56.287 -0.043 0.000 0.944 23 K CB 0.432 32.912 32.500 -0.035 0.000 1.012 23 K HN 0.146 8.363 8.250 -0.054 0.000 0.472 24 L N 5.300 126.499 121.223 -0.041 0.000 2.722 24 L HA 0.256 nan 4.340 nan 0.000 0.244 24 L C -2.187 174.665 176.870 -0.030 0.000 1.023 24 L CA -0.885 53.932 54.840 -0.038 0.000 0.988 24 L CB 0.401 42.428 42.059 -0.053 0.000 1.245 24 L HN -0.094 8.113 8.230 -0.038 0.000 0.508 25 P HA 0.008 nan 4.420 nan 0.000 0.216 25 P C -1.201 176.089 177.300 -0.016 0.000 1.150 25 P CA 1.390 64.479 63.100 -0.018 0.000 0.837 25 P CB 0.375 32.066 31.700 -0.014 0.000 0.786 26 L N -0.799 120.415 121.223 -0.015 0.000 2.476 26 L HA 0.259 nan 4.340 nan 0.000 0.269 26 L C 0.396 177.258 176.870 -0.012 0.000 0.965 26 L CA -0.955 53.878 54.840 -0.012 0.000 0.845 26 L CB 2.409 44.464 42.059 -0.007 0.000 1.259 26 L HN -0.711 7.486 8.230 -0.015 0.024 0.403 27 D N 4.036 124.428 120.400 -0.014 0.000 2.203 27 D HA -0.441 nan 4.640 nan 0.000 0.199 27 D C 0.792 177.088 176.300 -0.007 0.000 0.997 27 D CA 3.013 57.004 54.000 -0.014 0.000 0.863 27 D CB -0.221 40.572 40.800 -0.012 0.000 0.928 27 D HN 0.627 8.989 8.370 -0.013 0.000 0.458 28 Q N -0.674 119.124 119.800 -0.003 0.000 2.242 28 Q HA -0.356 nan 4.340 nan 0.000 0.211 28 Q C 2.280 178.284 176.000 0.006 0.000 0.992 28 Q CA 2.485 58.290 55.803 0.002 0.000 0.889 28 Q CB -1.163 27.576 28.738 0.002 0.000 0.913 28 Q HN 0.257 8.491 8.270 -0.004 0.034 0.422 29 R N -0.934 119.569 120.500 0.005 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.484 177.795 176.300 0.018 0.000 1.144 29 R CA 2.008 58.115 56.100 0.013 0.000 0.961 29 R CB -0.300 30.007 30.300 0.012 0.000 0.877 29 R HN -0.594 7.654 8.270 0.001 0.024 0.444 30 D N -1.761 118.646 120.400 0.011 0.000 2.590 30 D HA 0.324 nan 4.640 nan 0.000 0.280 30 D C -0.302 176.007 176.300 0.014 0.000 1.197 30 D CA -0.584 53.425 54.000 0.015 0.000 0.967 30 D CB -0.215 40.589 40.800 0.006 0.000 0.987 30 D HN -0.190 8.163 8.370 0.004 0.019 0.508 31 E N 1.868 122.078 120.200 0.016 0.000 2.197 31 E HA -0.545 nan 4.350 nan 0.000 0.205 31 E C 1.843 178.454 176.600 0.019 0.000 1.029 31 E CA 3.516 59.926 56.400 0.016 0.000 0.828 31 E CB -0.511 29.200 29.700 0.018 0.000 0.737 31 E HN -0.314 7.989 8.360 0.017 0.067 0.464 32 R N -1.683 118.831 120.500 0.023 0.000 2.143 32 R HA -0.308 nan 4.340 nan 0.000 0.239 32 R C 1.535 177.849 176.300 0.022 0.000 1.126 32 R CA 2.267 58.383 56.100 0.027 0.000 0.927 32 R CB -0.264 30.055 30.300 0.033 0.000 0.860 32 R HN 0.097 8.392 8.270 0.025 -0.010 0.433 33 L N -3.479 117.754 121.223 0.017 0.000 2.645 33 L HA 0.152 nan 4.340 nan 0.000 0.234 33 L C 0.209 177.083 176.870 0.006 0.000 1.165 33 L CA -0.898 53.949 54.840 0.011 0.000 0.944 33 L CB -0.945 41.118 42.059 0.006 0.000 1.149 33 L HN -0.112 8.030 8.230 0.015 0.097 0.446 34 K N 0.054 120.460 120.400 0.009 0.000 2.209 34 K HA -0.473 nan 4.320 nan 0.000 0.220 34 K C 1.265 177.870 176.600 0.009 0.000 1.002 34 K CA 2.867 59.160 56.287 0.009 0.000 0.947 34 K CB -1.552 30.956 32.500 0.013 0.000 0.891 34 K HN -0.535 7.636 8.250 0.012 0.086 0.476 35 G N -3.821 104.986 108.800 0.011 0.000 3.088 35 G HA2 0.072 nan 3.960 nan 0.000 0.217 35 G HA3 0.072 nan 3.960 nan 0.000 0.217 35 G C -1.744 173.164 174.900 0.013 0.000 1.159 35 G CA -0.662 44.447 45.100 0.015 0.000 0.760 35 G HN 0.046 8.297 8.290 0.012 0.046 0.550 36 V N -0.014 119.902 119.914 0.004 0.000 2.482 36 V HA 0.308 nan 4.120 nan 0.000 0.295 36 V C -1.630 174.454 176.094 -0.017 0.000 1.026 36 V CA -0.462 61.836 62.300 -0.004 0.000 0.856 36 V CB 0.621 32.437 31.823 -0.011 0.000 1.001 36 V HN -0.395 7.733 8.190 0.001 0.063 0.424 37 G N 7.481 116.270 108.800 -0.018 0.000 4.300 37 G HA2 0.080 nan 3.960 nan 0.000 0.230 37 G HA3 0.080 nan 3.960 nan 0.000 0.230 37 G C -0.633 174.256 174.900 -0.018 0.000 3.208 37 G CA 1.020 46.103 45.100 -0.029 0.000 0.792 37 G HN 0.402 8.688 8.290 -0.006 0.000 0.307 38 I N -4.462 116.102 120.570 -0.009 0.000 4.312 38 I HA 0.255 nan 4.170 nan 0.000 0.324 38 I C -0.492 175.639 176.117 0.024 0.000 1.298 38 I CA 0.313 61.623 61.300 0.016 0.000 1.231 38 I CB 0.734 38.758 38.000 0.040 0.000 1.152 38 I HN -0.212 7.987 8.210 -0.019 0.000 0.421 39 L N 4.513 125.733 121.223 -0.005 0.000 2.261 39 L HA 0.511 nan 4.340 nan 0.000 0.289 39 L C -2.095 174.752 176.870 -0.038 0.000 1.059 39 L CA -2.733 52.093 54.840 -0.023 0.000 0.816 39 L CB 0.393 42.377 42.059 -0.124 0.000 1.191 39 L HN -0.541 7.670 8.230 -0.031 0.000 0.431 40 P HA 0.101 nan 4.420 nan 0.000 0.259 40 P C -1.452 175.831 177.300 -0.029 0.000 1.635 40 P CA 0.165 63.252 63.100 -0.022 0.000 1.199 40 P CB -1.113 30.582 31.700 -0.009 0.000 1.850 41 R N 1.278 121.751 120.500 -0.046 0.000 3.176 41 R HA -0.476 nan 4.340 nan 0.000 0.242 41 R C 0.466 176.749 176.300 -0.028 0.000 0.813 41 R CA 2.003 58.077 56.100 -0.044 0.000 1.271 41 R CB -2.766 27.511 30.300 -0.040 0.000 0.686 41 R HN 0.356 8.544 8.270 -0.059 0.047 0.571 42 G N 1.918 110.710 108.800 -0.014 0.000 3.678 42 G HA2 0.190 nan 3.960 nan 0.000 0.287 42 G HA3 0.190 nan 3.960 nan 0.000 0.287 42 G C -0.894 174.008 174.900 0.003 0.000 1.280 42 G CA -0.489 44.609 45.100 -0.003 0.000 1.118 42 G HN -0.015 8.267 8.290 -0.015 0.000 0.563 43 T N 0.076 114.633 114.554 0.005 0.000 2.891 43 T HA 0.168 nan 4.350 nan 0.000 0.315 43 T C 0.282 175.007 174.700 0.041 0.000 1.054 43 T CA -1.369 60.747 62.100 0.027 0.000 0.958 43 T CB -0.224 68.663 68.868 0.032 0.000 1.008 43 T HN -0.574 7.495 8.240 -0.007 0.166 0.521 44 L N 6.655 127.908 121.223 0.049 0.000 2.858 44 L HA -0.048 nan 4.340 nan 0.000 0.243 44 L C -0.345 176.586 176.870 0.102 0.000 1.416 44 L CA -0.664 54.207 54.840 0.052 0.000 1.182 44 L CB -1.696 40.358 42.059 -0.008 0.000 1.564 44 L HN 0.400 8.657 8.230 0.046 0.000 0.436 45 F N 0.412 120.309 119.950 -0.089 0.000 1.974 45 F HA -0.437 nan 4.527 nan 0.000 0.258 45 F C -1.448 174.325 175.800 -0.046 0.000 1.045 45 F CA 0.531 58.458 58.000 -0.123 0.000 0.902 45 F CB 0.035 38.931 39.000 -0.173 0.000 1.343 45 F HN -0.612 7.778 8.300 0.150 0.000 0.742 46 S N 5.389 120.988 115.700 -0.168 0.000 2.422 46 S HA 0.182 nan 4.470 nan 0.000 0.298 46 S C 1.572 175.715 174.600 -0.762 0.000 1.118 46 S CA -1.386 56.614 58.200 -0.333 0.000 1.083 46 S CB 1.177 64.341 63.200 -0.060 0.000 0.971 46 S HN 0.269 8.689 8.310 0.184 0.000 0.478 47 C N 9.388 127.957 119.300 -1.218 0.000 2.419 47 C HA -0.181 nan 4.460 nan 0.000 0.283 47 C C 0.653 174.989 174.990 -1.090 0.000 1.373 47 C CA 2.355 60.484 59.018 -1.481 0.000 1.781 47 C CB -1.185 25.670 27.740 -1.475 0.000 1.886 47 C HN 1.103 8.753 8.230 -0.966 0.000 0.520 48 F N -5.191 114.565 119.950 -0.322 0.000 2.695 48 F HA 0.147 nan 4.527 nan 0.000 0.303 48 F C -0.511 175.099 175.800 -0.316 0.000 1.091 48 F CA -0.735 57.059 58.000 -0.344 0.000 1.300 48 F CB -0.069 38.733 39.000 -0.329 0.000 1.071 48 F HN -0.665 7.315 8.300 -0.484 0.030 0.578 49 H N 2.044 121.072 119.070 -0.071 0.000 3.026 49 H HA -0.078 nan 4.556 nan 0.000 0.289 49 H C 0.879 176.197 175.328 -0.017 0.000 1.022 49 H CA 0.345 56.398 56.048 0.007 0.000 1.477 49 H CB 1.244 30.998 29.762 -0.014 0.000 1.510 49 H HN -0.729 7.445 8.280 0.017 0.116 0.535 50 A N 8.041 130.639 122.820 -0.370 0.000 1.927 50 A HA -0.438 nan 4.320 nan 0.000 0.220 50 A C 1.652 179.225 177.584 -0.019 0.000 1.185 50 A CA 3.427 55.415 52.037 -0.081 0.000 0.639 50 A CB -0.255 18.859 19.000 0.190 0.000 0.820 50 A HN 0.534 8.564 8.150 -0.404 -0.123 0.451 51 R N -3.267 117.202 120.500 -0.051 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.214 178.573 176.300 0.100 0.000 1.123 51 R CA 2.967 59.086 56.100 0.030 0.000 0.975 51 R CB -0.838 29.483 30.300 0.035 0.000 0.866 51 R HN 0.074 8.194 8.270 -0.206 0.026 0.446 52 H N -0.385 118.814 119.070 0.215 0.000 2.470 52 H HA -0.051 nan 4.556 nan 0.000 0.289 52 H C 2.811 178.237 175.328 0.163 0.000 1.033 52 H CA 1.837 58.015 56.048 0.216 0.000 1.331 52 H CB -0.411 29.599 29.762 0.413 0.000 1.414 52 H HN 0.221 8.507 8.280 0.070 0.036 0.545 53 L N -0.610 120.758 121.223 0.242 0.000 2.072 53 L HA -0.315 nan 4.340 nan 0.000 0.205 53 L C 1.575 178.536 176.870 0.150 0.000 1.079 53 L CA 2.590 57.538 54.840 0.181 0.000 0.752 53 L CB -0.618 41.511 42.059 0.116 0.000 0.906 53 L HN -0.652 7.697 8.230 0.199 0.000 0.436 54 A N -0.648 122.246 122.820 0.124 0.000 1.865 54 A HA -0.433 nan 4.320 nan 0.000 0.217 54 A C 2.102 179.731 177.584 0.076 0.000 1.191 54 A CA 3.279 55.377 52.037 0.102 0.000 0.623 54 A CB -1.110 17.945 19.000 0.092 0.000 0.826 54 A HN -0.441 7.779 8.150 0.117 0.000 0.444 55 E N -1.667 118.584 120.200 0.086 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.474 179.049 176.600 -0.042 0.000 1.004 55 E CA 2.993 59.423 56.400 0.050 0.000 0.805 55 E CB -0.129 29.636 29.700 0.108 0.000 0.744 55 E HN 0.327 8.652 8.360 0.123 0.109 0.451 56 A N -2.038 120.730 122.820 -0.087 0.000 2.019 56 A HA -0.181 nan 4.320 nan 0.000 0.219 56 A C 2.121 179.384 177.584 -0.534 0.000 1.164 56 A CA 2.897 54.721 52.037 -0.355 0.000 0.644 56 A CB -0.681 18.113 19.000 -0.344 0.000 0.805 56 A HN -0.092 7.943 8.150 0.007 0.119 0.449 57 T N 0.433 114.924 114.554 -0.104 0.000 3.023 57 T HA -0.173 nan 4.350 nan 0.000 0.266 57 T C 1.728 176.469 174.700 0.067 0.000 1.093 57 T CA 3.722 65.901 62.100 0.133 0.000 1.129 57 T CB -0.692 68.327 68.868 0.252 0.000 0.899 57 T HN -0.007 8.088 8.240 0.004 0.147 0.491 58 E N 2.723 122.928 120.200 0.007 0.000 2.049 58 E HA -0.339 nan 4.350 nan 0.000 0.198 58 E C 1.617 178.209 176.600 -0.012 0.000 1.007 58 E CA 3.313 59.718 56.400 0.007 0.000 0.809 58 E CB -0.572 29.128 29.700 0.001 0.000 0.749 58 E HN -0.434 7.928 8.360 0.004 0.000 0.450 59 L N -1.261 119.898 121.223 -0.106 0.000 2.093 59 L HA -0.338 nan 4.340 nan 0.000 0.208 59 L C 2.428 179.262 176.870 -0.059 0.000 1.085 59 L CA 3.794 58.562 54.840 -0.121 0.000 0.755 59 L CB -0.248 41.683 42.059 -0.214 0.000 0.904 59 L HN -0.650 7.430 8.230 -0.148 0.061 0.435 60 Y N -2.266 118.102 120.300 0.114 0.000 2.163 60 Y HA -0.385 nan 4.550 nan 0.000 0.288 60 Y C 2.352 178.397 175.900 0.241 0.000 1.136 60 Y CA 3.248 61.463 58.100 0.193 0.000 1.147 60 Y CB -1.454 37.130 38.460 0.206 0.000 0.987 60 Y HN 0.201 8.113 8.280 -0.295 0.191 0.509 61 V N -4.092 115.982 119.914 0.266 0.000 2.427 61 V HA -0.388 nan 4.120 nan 0.000 0.248 61 V C 1.754 177.940 176.094 0.154 0.000 1.051 61 V CA 2.588 64.997 62.300 0.183 0.000 1.048 61 V CB -1.370 30.511 31.823 0.096 0.000 0.666 61 V HN -0.115 8.199 8.190 0.207 0.000 0.456 62 A N 0.856 123.744 122.820 0.112 0.000 1.841 62 A HA -0.281 nan 4.320 nan 0.000 0.216 62 A C 2.175 179.812 177.584 0.089 0.000 1.199 62 A CA 2.982 55.069 52.037 0.084 0.000 0.621 62 A CB -0.594 18.438 19.000 0.054 0.000 0.835 62 A HN -0.046 8.160 8.150 0.094 0.000 0.445 63 L N -2.097 119.165 121.223 0.066 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.327 179.150 176.870 -0.078 0.000 1.092 63 L CA 2.615 57.443 54.840 -0.021 0.000 0.759 63 L CB -0.628 41.376 42.059 -0.092 0.000 0.903 63 L HN 0.060 8.224 8.230 0.079 0.113 0.435 64 Y N -3.290 117.051 120.300 0.068 0.000 2.333 64 Y HA -0.271 nan 4.550 nan 0.000 0.290 64 Y C 1.771 177.693 175.900 0.036 0.000 1.144 64 Y CA 2.102 60.225 58.100 0.038 0.000 1.228 64 Y CB -0.313 38.135 38.460 -0.019 0.000 0.985 64 Y HN -0.405 8.001 8.280 0.211 0.000 0.542 65 G N -1.203 107.700 108.800 0.172 0.000 3.003 65 G HA2 -0.119 nan 3.960 nan 0.000 0.266 65 G HA3 -0.119 nan 3.960 nan 0.000 0.266 65 G C -2.348 172.608 174.900 0.094 0.000 0.755 65 G CA 0.208 45.376 45.100 0.113 0.000 2.061 65 G HN -0.289 7.969 8.290 0.168 0.132 0.599 66 A N 1.446 124.327 122.820 0.101 0.000 2.485 66 A HA 0.639 nan 4.320 nan 0.000 0.292 66 A C -1.605 176.034 177.584 0.093 0.000 1.147 66 A CA -1.234 50.859 52.037 0.094 0.000 0.750 66 A CB 2.736 21.792 19.000 0.093 0.000 1.331 66 A HN -0.067 8.118 8.150 0.119 0.036 0.419 67 K N -1.252 119.202 120.400 0.091 0.000 2.448 67 K HA 0.160 nan 4.320 nan 0.000 0.220 67 K C -1.195 175.458 176.600 0.089 0.000 1.259 67 K CA 0.250 56.584 56.287 0.078 0.000 0.810 67 K CB 1.381 33.916 32.500 0.058 0.000 1.540 67 K HN 0.440 8.971 8.250 0.098 -0.222 0.434 68 D N -3.362 117.087 120.400 0.080 0.000 2.714 68 D HA 0.222 nan 4.640 nan 0.000 0.278 68 D C 0.650 177.041 176.300 0.151 0.000 1.102 68 D CA -1.325 52.748 54.000 0.120 0.000 1.108 68 D CB 0.629 41.492 40.800 0.105 0.000 1.444 68 D HN -0.551 7.924 8.370 0.054 -0.073 0.568 69 F N -3.053 116.946 119.950 0.082 0.000 2.271 69 F HA -0.504 nan 4.527 nan 0.000 0.302 69 F C 0.680 176.598 175.800 0.197 0.000 1.063 69 F CA 2.917 60.987 58.000 0.117 0.000 1.362 69 F CB -0.349 38.687 39.000 0.060 0.000 1.060 69 F HN 0.531 9.200 8.300 0.614 0.000 0.521 70 N N -0.268 118.049 118.700 -0.640 0.000 2.132 70 N HA -0.226 nan 4.740 nan 0.000 0.187 70 N C 1.973 177.421 175.510 -0.102 0.000 1.038 70 N CA 2.857 55.617 53.050 -0.483 0.000 0.846 70 N CB -0.957 37.195 38.487 -0.559 0.000 1.012 70 N HN -0.254 7.626 8.380 -0.781 0.032 0.429 71 D N 0.848 121.238 120.400 -0.018 0.000 2.182 71 D HA -0.281 nan 4.640 nan 0.000 0.201 71 D C 1.895 178.268 176.300 0.121 0.000 0.986 71 D CA 3.016 57.059 54.000 0.072 0.000 0.847 71 D CB 0.056 40.904 40.800 0.079 0.000 0.942 71 D HN -0.611 7.978 8.370 -0.048 -0.247 0.467 72 F N 0.629 120.586 119.950 0.011 0.000 2.091 72 F HA -0.386 nan 4.527 nan 0.000 0.299 72 F C 1.331 177.162 175.800 0.050 0.000 1.103 72 F CA 3.405 61.424 58.000 0.031 0.000 1.228 72 F CB 0.089 39.115 39.000 0.043 0.000 0.984 72 F HN -0.084 8.384 8.300 0.272 -0.004 0.477 73 I N -2.052 118.438 120.570 -0.134 0.000 2.252 73 I HA -0.527 nan 4.170 nan 0.000 0.245 73 I C 1.971 178.011 176.117 -0.128 0.000 1.102 73 I CA 2.234 63.415 61.300 -0.199 0.000 1.385 73 I CB -1.565 36.416 38.000 -0.033 0.000 1.064 73 I HN -0.463 7.696 8.210 0.080 0.099 0.414 74 H N 1.333 120.345 119.070 -0.096 0.000 2.321 74 H HA -0.295 nan 4.556 nan 0.000 0.300 74 H C 2.310 177.605 175.328 -0.056 0.000 1.087 74 H CA 3.531 59.539 56.048 -0.066 0.000 1.319 74 H CB 0.052 29.787 29.762 -0.045 0.000 1.379 74 H HN -0.431 7.881 8.280 0.053 0.000 0.501 75 L N -1.142 119.901 121.223 -0.300 0.000 2.043 75 L HA -0.391 nan 4.340 nan 0.000 0.212 75 L C 1.575 178.336 176.870 -0.182 0.000 1.075 75 L CA 3.629 58.331 54.840 -0.230 0.000 0.752 75 L CB -0.520 41.514 42.059 -0.043 0.000 0.891 75 L HN -0.119 8.039 8.230 -0.119 0.000 0.432 76 C N -1.760 117.429 119.300 -0.185 0.000 2.432 76 C HA -0.373 nan 4.460 nan 0.000 0.280 76 C C 2.293 177.180 174.990 -0.171 0.000 1.353 76 C CA 3.072 62.009 59.018 -0.134 0.000 1.766 76 C CB -2.220 25.376 27.740 -0.239 0.000 1.924 76 C HN -0.253 7.738 8.230 -0.265 0.080 0.509 77 E N 0.541 120.631 120.200 -0.184 0.000 2.031 77 E HA -0.450 nan 4.350 nan 0.000 0.193 77 E C 1.871 178.371 176.600 -0.167 0.000 0.994 77 E CA 3.310 59.631 56.400 -0.132 0.000 0.800 77 E CB -0.311 29.364 29.700 -0.042 0.000 0.752 77 E HN 0.154 8.294 8.360 -0.207 0.095 0.447 78 Q N -0.827 118.814 119.800 -0.265 0.000 1.969 78 Q HA -0.216 nan 4.340 nan 0.000 0.198 78 Q C 2.634 178.524 176.000 -0.184 0.000 0.978 78 Q CA 2.718 58.392 55.803 -0.215 0.000 0.830 78 Q CB 0.267 28.823 28.738 -0.304 0.000 0.896 78 Q HN -0.272 7.760 8.270 -0.396 0.000 0.431 79 A N -0.539 122.157 122.820 -0.206 0.000 1.978 79 A HA -0.302 nan 4.320 nan 0.000 0.220 79 A C 1.630 179.033 177.584 -0.302 0.000 1.170 79 A CA 3.090 54.993 52.037 -0.224 0.000 0.636 79 A CB -0.937 17.924 19.000 -0.231 0.000 0.810 79 A HN 0.170 8.195 8.150 -0.208 0.000 0.448 80 R N -2.409 117.887 120.500 -0.339 0.000 2.200 80 R HA -0.315 nan 4.340 nan 0.000 0.234 80 R C 2.230 178.413 176.300 -0.195 0.000 1.127 80 R CA 2.459 58.377 56.100 -0.304 0.000 0.989 80 R CB -0.522 29.629 30.300 -0.249 0.000 0.869 80 R HN 0.092 8.133 8.270 -0.313 0.042 0.459 81 Q N -3.187 116.518 119.800 -0.159 0.000 2.561 81 Q HA -0.193 nan 4.340 nan 0.000 0.217 81 Q C 1.014 176.946 176.000 -0.113 0.000 0.980 81 Q CA 2.281 58.015 55.803 -0.115 0.000 0.927 81 Q CB 0.092 28.774 28.738 -0.093 0.000 0.980 81 Q HN -0.041 7.983 8.270 -0.166 0.146 0.525 82 I N -5.824 114.660 120.570 -0.144 0.000 4.724 82 I HA -0.001 nan 4.170 nan 0.000 0.398 82 I C -1.794 174.238 176.117 -0.143 0.000 1.074 82 I CA -0.423 60.804 61.300 -0.122 0.000 1.395 82 I CB 2.152 40.095 38.000 -0.095 0.000 2.372 82 I HN -0.177 7.757 8.210 -0.190 0.162 0.746 83 V N -2.699 117.090 119.914 -0.208 0.000 3.893 83 V HA -0.041 nan 4.120 nan 0.000 0.284 83 V C -2.003 174.007 176.094 -0.141 0.000 1.040 83 V CA -0.682 61.485 62.300 -0.222 0.000 1.050 83 V CB -0.138 31.426 31.823 -0.432 0.000 1.209 83 V HN -0.573 7.470 8.190 -0.245 0.000 0.457 84 N N -1.220 117.413 118.700 -0.112 0.000 2.549 84 N HA 0.219 nan 4.740 nan 0.000 0.281 84 N C 0.531 176.032 175.510 -0.015 0.000 1.084 84 N CA -1.106 51.892 53.050 -0.087 0.000 0.862 84 N CB 1.385 39.782 38.487 -0.149 0.000 1.333 84 N HN -0.132 8.186 8.380 -0.102 0.000 0.523 85 E N 7.479 127.700 120.200 0.035 0.000 2.122 85 E HA -0.156 nan 4.350 nan 0.000 0.190 85 E C 1.471 178.217 176.600 0.242 0.000 0.977 85 E CA 2.423 58.914 56.400 0.151 0.000 0.820 85 E CB -0.751 29.034 29.700 0.142 0.000 0.770 85 E HN 0.465 8.835 8.360 0.017 0.000 0.462 86 G N 0.753 109.643 108.800 0.150 0.000 2.469 86 G HA2 -0.341 nan 3.960 nan 0.000 0.219 86 G HA3 -0.341 nan 3.960 nan 0.000 0.219 86 G C 1.202 176.260 174.900 0.264 0.000 1.150 86 G CA 1.866 47.076 45.100 0.183 0.000 0.763 86 G HN 0.347 8.688 8.290 0.084 0.000 0.561 87 M N 1.770 121.395 119.600 0.041 0.000 2.156 87 M HA -0.294 nan 4.480 nan 0.000 0.264 87 M C 1.077 177.494 176.300 0.196 0.000 1.067 87 M CA 3.107 58.391 55.300 -0.026 0.000 1.131 87 M CB 0.110 32.488 32.600 -0.370 0.000 1.368 87 M HN -0.822 7.566 8.290 -0.064 -0.136 0.416 88 F N -0.043 119.949 119.950 0.070 0.000 2.069 88 F HA -0.434 nan 4.527 nan 0.000 0.298 88 F C 1.453 177.409 175.800 0.259 0.000 1.113 88 F CA 4.377 62.448 58.000 0.117 0.000 1.214 88 F CB -0.095 38.936 39.000 0.052 0.000 0.978 88 F HN -0.283 8.123 8.300 0.277 0.061 0.474 89 V N -0.517 119.646 119.914 0.414 0.000 2.392 89 V HA -0.484 nan 4.120 nan 0.000 0.249 89 V C 1.030 177.423 176.094 0.499 0.000 1.059 89 V CA 4.180 66.783 62.300 0.505 0.000 1.051 89 V CB -0.902 31.337 31.823 0.693 0.000 0.658 89 V HN 0.480 8.964 8.190 0.489 0.000 0.455 90 Y N 0.571 121.107 120.300 0.394 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.261 177.289 175.900 0.213 0.000 1.146 90 Y CA 4.073 62.366 58.100 0.321 0.000 1.182 90 Y CB -0.355 38.249 38.460 0.239 0.000 0.983 90 Y HN -0.500 8.073 8.280 0.618 0.077 0.524 91 A N -1.190 121.784 122.820 0.256 0.000 1.874 91 A HA -0.288 nan 4.320 nan 0.000 0.214 91 A C 1.803 179.370 177.584 -0.029 0.000 1.189 91 A CA 3.063 55.177 52.037 0.129 0.000 0.615 91 A CB -0.489 18.504 19.000 -0.011 0.000 0.830 91 A HN 0.181 8.394 8.150 0.265 0.096 0.443 92 V N -4.247 115.604 119.914 -0.106 0.000 2.515 92 V HA -0.347 nan 4.120 nan 0.000 0.250 92 V C 1.931 178.039 176.094 0.024 0.000 1.058 92 V CA 3.823 66.117 62.300 -0.009 0.000 1.064 92 V CB -1.257 30.645 31.823 0.132 0.000 0.675 92 V HN 0.435 8.511 8.190 -0.189 0.000 0.461 93 S N 0.057 115.799 115.700 0.070 0.000 2.414 93 S HA -0.148 nan 4.470 nan 0.000 0.227 93 S C 2.083 176.643 174.600 -0.067 0.000 1.022 93 S CA 3.102 61.314 58.200 0.020 0.000 0.958 93 S CB -0.193 63.103 63.200 0.160 0.000 0.797 93 S HN 0.053 8.342 8.310 0.141 0.106 0.493 94 V N 2.098 121.980 119.914 -0.054 0.000 2.515 94 V HA -0.365 nan 4.120 nan 0.000 0.250 94 V C 1.518 177.712 176.094 0.166 0.000 1.058 94 V CA 3.581 65.918 62.300 0.063 0.000 1.064 94 V CB -1.004 30.871 31.823 0.087 0.000 0.675 94 V HN -0.268 7.887 8.190 -0.058 0.000 0.461 95 A N -0.066 122.742 122.820 -0.021 0.000 1.855 95 A HA -0.199 nan 4.320 nan 0.000 0.215 95 A C 1.308 178.820 177.584 -0.120 0.000 1.191 95 A CA 3.812 55.787 52.037 -0.102 0.000 0.613 95 A CB -0.205 18.674 19.000 -0.202 0.000 0.829 95 A HN 0.181 8.297 8.150 -0.057 0.000 0.442 96 V N -2.464 117.319 119.914 -0.219 0.000 3.620 96 V HA -0.005 nan 4.120 nan 0.000 0.286 96 V C 0.922 176.842 176.094 -0.290 0.000 1.288 96 V CA 1.220 63.327 62.300 -0.323 0.000 1.178 96 V CB -1.188 30.338 31.823 -0.494 0.000 0.986 96 V HN 0.039 8.015 8.190 -0.178 0.107 0.431 97 L N -0.284 120.742 121.223 -0.329 0.000 2.253 97 L HA -0.166 nan 4.340 nan 0.000 0.205 97 L C 0.237 176.823 176.870 -0.474 0.000 1.078 97 L CA 2.634 57.160 54.840 -0.523 0.000 0.805 97 L CB 0.844 42.358 42.059 -0.907 0.000 0.963 97 L HN -0.693 7.335 8.230 -0.286 0.030 0.459 98 H N -7.448 111.615 119.070 -0.013 0.000 3.233 98 H HA 0.214 nan 4.556 nan 0.000 0.263 98 H C -0.661 174.766 175.328 0.165 0.000 1.168 98 H CA -0.676 55.415 56.048 0.072 0.000 1.159 98 H CB 1.525 31.387 29.762 0.168 0.000 1.593 98 H HN -0.175 7.935 8.280 -0.062 0.133 0.580 99 R N 0.504 121.127 120.500 0.205 0.000 2.295 99 R HA 0.307 nan 4.340 nan 0.000 0.324 99 R C 0.570 176.925 176.300 0.091 0.000 0.968 99 R CA -1.809 54.403 56.100 0.187 0.000 0.837 99 R CB 0.099 30.524 30.300 0.208 0.000 1.133 99 R HN -0.587 7.743 8.270 0.100 0.000 0.450 100 E N 3.334 123.591 120.200 0.094 0.000 2.533 100 E HA -0.215 nan 4.350 nan 0.000 0.201 100 E C -0.050 176.569 176.600 0.031 0.000 1.097 100 E CA 1.204 57.638 56.400 0.056 0.000 0.887 100 E CB -0.699 29.038 29.700 0.061 0.000 0.855 100 E HN 0.585 9.014 8.360 0.115 0.000 0.540 101 D N -3.114 117.310 120.400 0.039 0.000 2.336 101 D HA 0.054 nan 4.640 nan 0.000 0.228 101 D C 0.083 176.386 176.300 0.005 0.000 1.120 101 D CA -0.274 53.752 54.000 0.043 0.000 0.839 101 D CB -0.455 40.411 40.800 0.109 0.000 0.932 101 D HN -0.271 8.046 8.370 0.052 0.085 0.509 102 C N -2.239 117.034 119.300 -0.046 0.000 3.657 102 C HA 0.117 nan 4.460 nan 0.000 0.291 102 C C -0.708 174.200 174.990 -0.136 0.000 1.572 102 C CA -1.653 57.307 59.018 -0.097 0.000 1.818 102 C CB 0.171 27.822 27.740 -0.149 0.000 2.903 102 C HN -0.194 7.943 8.230 -0.042 0.067 0.632 103 K N 1.221 121.547 120.400 -0.124 0.000 2.319 103 K HA -0.229 nan 4.320 nan 0.000 0.265 103 K C 1.002 177.497 176.600 -0.175 0.000 1.000 103 K CA 1.516 57.716 56.287 -0.145 0.000 0.943 103 K CB 0.062 32.493 32.500 -0.116 0.000 0.950 103 K HN -0.478 7.712 8.250 -0.100 0.000 0.485 104 G N 3.374 112.042 108.800 -0.219 0.000 2.155 104 G HA2 -0.448 nan 3.960 nan 0.000 0.257 104 G HA3 -0.448 nan 3.960 nan 0.000 0.257 104 G C -0.767 173.971 174.900 -0.270 0.000 0.983 104 G CA 0.385 45.319 45.100 -0.277 0.000 0.676 104 G HN 0.354 8.504 8.290 -0.218 0.009 0.528 105 I N 0.309 120.733 120.570 -0.243 0.000 2.532 105 I HA 0.109 nan 4.170 nan 0.000 0.292 105 I C -0.904 175.056 176.117 -0.262 0.000 1.014 105 I CA -1.268 59.893 61.300 -0.232 0.000 1.340 105 I CB 1.376 39.241 38.000 -0.224 0.000 1.422 105 I HN -0.705 7.300 8.210 -0.228 0.068 0.528 106 T N 7.833 122.238 114.554 -0.248 0.000 2.856 106 T HA 0.139 nan 4.350 nan 0.000 0.283 106 T C -0.816 173.742 174.700 -0.236 0.000 1.008 106 T CA -1.428 60.539 62.100 -0.222 0.000 0.997 106 T CB 2.120 70.880 68.868 -0.180 0.000 0.992 106 T HN -0.327 8.022 8.240 -0.236 -0.250 0.454 107 V N 4.808 124.598 119.914 -0.205 0.000 2.508 107 V HA 0.074 nan 4.120 nan 0.000 0.281 107 V C -1.179 174.775 176.094 -0.232 0.000 1.041 107 V CA -2.742 59.429 62.300 -0.214 0.000 1.016 107 V CB -0.671 31.071 31.823 -0.136 0.000 0.984 107 V HN 0.459 8.546 8.190 -0.172 0.000 0.478 108 P HA 0.085 nan 4.420 nan 0.000 0.260 108 P C -2.655 174.639 177.300 -0.011 0.000 1.185 108 P CA -0.907 62.016 63.100 -0.296 0.000 0.763 108 P CB 0.145 31.523 31.700 -0.537 0.000 0.776 109 P HA -0.016 nan 4.420 nan 0.000 0.265 109 P C 0.928 178.295 177.300 0.112 0.000 1.222 109 P CA 0.011 63.176 63.100 0.108 0.000 0.767 109 P CB 0.259 32.004 31.700 0.075 0.000 0.801 110 I N 0.326 120.968 120.570 0.121 0.000 2.423 110 I HA -0.526 nan 4.170 nan 0.000 0.254 110 I C 0.938 177.060 176.117 0.008 0.000 1.151 110 I CA 3.536 64.885 61.300 0.082 0.000 1.421 110 I CB -0.378 37.562 38.000 -0.099 0.000 1.079 110 I HN 0.427 8.760 8.210 0.205 0.000 0.431 111 Q N -1.560 118.070 119.800 -0.283 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.227 177.034 176.000 -0.321 0.000 0.964 111 Q CA 3.105 58.427 55.803 -0.802 0.000 0.855 111 Q CB -0.689 27.488 28.738 -0.935 0.000 0.918 111 Q HN 0.220 8.322 8.270 -0.180 0.060 0.444 112 E N -2.663 117.452 120.200 -0.141 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.446 178.035 176.600 -0.019 0.000 0.973 112 E CA 1.509 57.870 56.400 -0.064 0.000 0.851 112 E CB 1.344 30.997 29.700 -0.078 0.000 0.804 112 E HN -0.427 7.738 8.360 -0.109 0.130 0.477 113 V N -5.491 114.431 119.914 0.014 0.000 2.788 113 V HA -0.076 nan 4.120 nan 0.000 0.251 113 V C 0.020 175.895 176.094 -0.366 0.000 1.068 113 V CA 1.950 64.183 62.300 -0.112 0.000 1.090 113 V CB 0.337 32.177 31.823 0.029 0.000 0.710 113 V HN -0.099 8.027 8.190 0.071 0.107 0.467 114 F N -1.474 118.542 119.950 0.110 0.000 2.660 114 F HA 0.585 nan 4.527 nan 0.000 0.352 114 F C -1.546 174.372 175.800 0.196 0.000 1.257 114 F CA -3.474 54.610 58.000 0.139 0.000 1.200 114 F CB 1.200 40.279 39.000 0.131 0.000 1.473 114 F HN -0.402 7.888 8.300 0.173 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.631 178.132 177.300 0.334 0.000 1.153 115 P CA 1.965 65.211 63.100 0.244 0.000 0.777 115 P CB 0.034 31.809 31.700 0.126 0.000 0.794 116 D N -1.492 119.096 120.400 0.314 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.322 176.754 176.300 0.221 0.000 0.992 116 D CA 2.678 56.833 54.000 0.258 0.000 0.833 116 D CB -1.801 39.163 40.800 0.272 0.000 0.954 116 D HN 0.433 8.948 8.370 0.350 0.065 0.455 117 R N -3.418 117.208 120.500 0.211 0.000 2.339 117 R HA -0.141 nan 4.340 nan 0.000 0.199 117 R C 0.590 176.714 176.300 -0.292 0.000 1.018 117 R CA 1.254 57.314 56.100 -0.067 0.000 1.036 117 R CB -0.552 29.655 30.300 -0.154 0.000 0.899 117 R HN -0.320 8.135 8.270 0.309 0.000 0.473 118 F N -2.822 117.122 119.950 -0.009 0.000 2.592 118 F HA 0.087 nan 4.527 nan 0.000 0.280 118 F C -0.537 175.246 175.800 -0.030 0.000 1.083 118 F CA 2.444 60.417 58.000 -0.046 0.000 1.365 118 F CB 2.272 41.234 39.000 -0.062 0.000 1.100 118 F HN -0.358 7.945 8.300 0.334 0.198 0.633 119 V N -6.159 113.870 119.914 0.192 0.000 3.096 119 V HA 0.531 nan 4.120 nan 0.000 0.319 119 V C -2.508 173.658 176.094 0.121 0.000 1.103 119 V CA -4.052 58.331 62.300 0.138 0.000 1.016 119 V CB -0.193 31.714 31.823 0.139 0.000 1.090 119 V HN -0.560 7.763 8.190 0.223 0.000 0.449 120 P HA -0.034 nan 4.420 nan 0.000 0.267 120 P C -0.535 176.830 177.300 0.109 0.000 1.209 120 P CA 0.014 63.178 63.100 0.107 0.000 0.763 120 P CB -0.107 31.636 31.700 0.073 0.000 0.816 121 A N 6.866 129.756 122.820 0.118 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.842 179.478 177.584 0.088 0.000 1.199 121 A CA 3.579 55.680 52.037 0.106 0.000 0.657 121 A CB -0.547 18.516 19.000 0.104 0.000 0.823 121 A HN 0.872 8.995 8.150 0.132 0.106 0.463 122 E N -3.123 117.126 120.200 0.080 0.000 2.038 122 E HA -0.365 nan 4.350 nan 0.000 0.195 122 E C 2.128 178.769 176.600 0.067 0.000 1.000 122 E CA 3.333 59.772 56.400 0.065 0.000 0.803 122 E CB -0.318 29.413 29.700 0.052 0.000 0.750 122 E HN 0.236 8.641 8.360 0.088 0.008 0.448 123 T N 0.780 115.379 114.554 0.075 0.000 3.085 123 T HA -0.049 nan 4.350 nan 0.000 0.263 123 T C 2.455 177.205 174.700 0.084 0.000 1.127 123 T CA 2.613 64.760 62.100 0.079 0.000 1.103 123 T CB -0.761 68.161 68.868 0.090 0.000 0.921 123 T HN -0.400 7.792 8.240 0.080 0.096 0.510 124 I N 2.777 123.400 120.570 0.089 0.000 2.193 124 I HA -0.505 nan 4.170 nan 0.000 0.240 124 I C 0.931 177.093 176.117 0.076 0.000 1.084 124 I CA 4.063 65.417 61.300 0.090 0.000 1.365 124 I CB -0.272 37.788 38.000 0.101 0.000 1.064 124 I HN -0.317 7.920 8.210 0.092 0.028 0.410 125 N N -0.373 118.369 118.700 0.070 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.552 178.095 175.510 0.055 0.000 1.019 125 N CA 3.841 56.926 53.050 0.058 0.000 0.857 125 N CB 0.170 38.689 38.487 0.053 0.000 0.997 125 N HN -0.101 8.323 8.380 0.074 0.000 0.426 126 R N -1.334 119.200 120.500 0.058 0.000 2.057 126 R HA -0.243 nan 4.340 nan 0.000 0.229 126 R C 1.748 178.085 176.300 0.062 0.000 1.136 126 R CA 3.250 59.385 56.100 0.057 0.000 0.952 126 R CB -0.152 30.182 30.300 0.056 0.000 0.848 126 R HN 0.377 8.567 8.270 0.062 0.117 0.430 127 A N -0.923 121.937 122.820 0.067 0.000 1.883 127 A HA -0.329 nan 4.320 nan 0.000 0.217 127 A C 2.226 179.854 177.584 0.074 0.000 1.186 127 A CA 3.098 55.177 52.037 0.070 0.000 0.624 127 A CB -0.933 18.112 19.000 0.074 0.000 0.822 127 A HN -0.567 7.624 8.150 0.069 0.000 0.444 128 N N -1.787 116.955 118.700 0.070 0.000 2.021 128 N HA -0.395 nan 4.740 nan 0.000 0.198 128 N C 2.211 177.753 175.510 0.054 0.000 1.041 128 N CA 3.082 56.169 53.050 0.061 0.000 0.862 128 N CB -0.584 37.934 38.487 0.052 0.000 1.048 128 N HN -0.212 8.211 8.380 0.071 0.000 0.427 129 K N 0.147 120.577 120.400 0.050 0.000 2.209 129 K HA -0.308 nan 4.320 nan 0.000 0.204 129 K C 2.504 179.136 176.600 0.053 0.000 1.048 129 K CA 2.982 59.293 56.287 0.041 0.000 0.940 129 K CB 0.005 32.526 32.500 0.036 0.000 0.729 129 K HN 0.032 8.132 8.250 0.052 0.181 0.451 130 E N -0.782 119.465 120.200 0.078 0.000 2.152 130 E HA -0.286 nan 4.350 nan 0.000 0.192 130 E C 2.063 178.745 176.600 0.136 0.000 0.983 130 E CA 2.739 59.215 56.400 0.126 0.000 0.818 130 E CB -0.155 29.621 29.700 0.128 0.000 0.758 130 E HN 0.081 8.357 8.360 0.074 0.128 0.467 131 A N -0.686 122.193 122.820 0.099 0.000 1.933 131 A HA -0.179 nan 4.320 nan 0.000 0.218 131 A C 1.537 179.160 177.584 0.066 0.000 1.175 131 A CA 3.104 55.197 52.037 0.093 0.000 0.628 131 A CB -0.628 18.426 19.000 0.090 0.000 0.814 131 A HN -0.267 7.936 8.150 0.088 0.000 0.444 132 S N -2.426 113.300 115.700 0.042 0.000 2.453 132 S HA -0.144 nan 4.470 nan 0.000 0.231 132 S C 1.274 175.864 174.600 -0.016 0.000 1.005 132 S CA 2.196 60.404 58.200 0.013 0.000 0.949 132 S CB 0.406 63.610 63.200 0.005 0.000 0.774 132 S HN -0.339 7.998 8.310 0.045 0.000 0.510 133 N N 0.115 118.801 118.700 -0.022 0.000 2.333 133 N HA -0.097 nan 4.740 nan 0.000 0.178 133 N C -0.144 175.151 175.510 -0.358 0.000 1.018 133 N CA 1.380 54.331 53.050 -0.165 0.000 0.882 133 N CB 1.084 39.476 38.487 -0.159 0.000 0.984 133 N HN -0.312 7.846 8.380 0.029 0.239 0.434 134 H N -1.357 117.723 119.070 0.015 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.335 173.003 175.328 0.017 0.000 1.198 134 H CA -2.667 53.389 56.048 0.014 0.000 1.489 134 H CB 0.460 30.230 29.762 0.013 0.000 1.519 134 H HN -0.155 8.202 8.280 0.127 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.519 175.822 177.300 0.067 0.000 1.635 135 P CA 0.464 63.602 63.100 0.065 0.000 1.199 135 P CB -0.522 31.199 31.700 0.035 0.000 1.850 136 D N 1.822 122.268 120.400 0.076 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.688 175.638 176.300 0.043 0.000 1.176 136 D CA -1.195 52.838 54.000 0.055 0.000 0.914 136 D CB 2.621 43.454 40.800 0.054 0.000 1.431 136 D HN -0.519 7.884 8.370 0.090 0.021 0.454 137 Q N -1.130 118.684 119.800 0.024 0.000 2.451 137 Q HA -0.091 nan 4.340 nan 0.000 0.206 137 Q C 0.047 176.037 176.000 -0.017 0.000 0.947 137 Q CA 0.307 56.114 55.803 0.006 0.000 0.937 137 Q CB 0.415 29.153 28.738 -0.000 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.021 0.000 0.511 138 Q N 0.583 120.375 119.800 -0.014 0.000 2.286 138 Q HA -0.170 nan 4.340 nan 0.000 0.290 138 Q C -0.708 175.272 176.000 -0.033 0.000 1.049 138 Q CA 0.871 56.655 55.803 -0.031 0.000 0.923 138 Q CB 0.402 29.113 28.738 -0.046 0.000 1.183 138 Q HN -0.654 7.834 8.270 -0.004 -0.220 0.383 139 S N 3.725 119.398 115.700 -0.044 0.000 2.576 139 S HA 0.174 nan 4.470 nan 0.000 0.272 139 S C -0.876 173.707 174.600 -0.029 0.000 1.352 139 S CA 1.040 59.214 58.200 -0.043 0.000 1.021 139 S CB 0.519 63.691 63.200 -0.046 0.000 0.887 139 S HN 0.205 8.487 8.310 -0.047 0.000 0.542 140 I N 0.526 121.088 120.570 -0.013 0.000 2.545 140 I HA 0.272 nan 4.170 nan 0.000 0.292 140 I C -2.248 173.871 176.117 0.003 0.000 1.040 140 I CA -0.610 60.689 61.300 -0.001 0.000 1.068 140 I CB 3.433 41.449 38.000 0.026 0.000 1.251 140 I HN 0.536 8.739 8.210 -0.012 0.000 0.424 141 V N 6.444 126.359 119.914 0.001 0.000 2.577 141 V HA 0.604 nan 4.120 nan 0.000 0.303 141 V C -1.828 174.275 176.094 0.014 0.000 1.042 141 V CA -1.686 60.615 62.300 0.003 0.000 0.872 141 V CB 2.090 33.904 31.823 -0.016 0.000 0.998 141 V HN 0.152 8.341 8.190 -0.002 0.000 0.423 142 V N 7.844 127.775 119.914 0.028 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.739 174.382 176.094 0.046 0.000 1.043 142 V CA -1.627 60.698 62.300 0.041 0.000 0.888 142 V CB 3.387 35.243 31.823 0.056 0.000 0.995 142 V HN 0.778 8.987 8.190 0.031 0.000 0.429 143 E N 5.706 125.938 120.200 0.054 0.000 2.105 143 E HA 0.150 nan 4.350 nan 0.000 0.285 143 E C 0.353 177.018 176.600 0.109 0.000 1.055 143 E CA -0.887 55.559 56.400 0.078 0.000 0.843 143 E CB 0.629 30.389 29.700 0.100 0.000 1.067 143 E HN 0.456 8.847 8.360 0.052 0.000 0.398 144 A N 8.194 131.092 122.820 0.129 0.000 2.019 144 A HA -0.242 nan 4.320 nan 0.000 0.219 144 A C 0.857 178.539 177.584 0.164 0.000 1.164 144 A CA 2.597 54.724 52.037 0.151 0.000 0.644 144 A CB -0.495 18.623 19.000 0.196 0.000 0.805 144 A HN 0.850 8.958 8.150 0.107 0.106 0.449 145 E N -1.898 118.433 120.200 0.218 0.000 2.164 145 E HA -0.312 nan 4.350 nan 0.000 0.206 145 E C 0.256 176.930 176.600 0.122 0.000 1.032 145 E CA 1.666 58.186 56.400 0.201 0.000 0.832 145 E CB 0.171 29.974 29.700 0.171 0.000 0.742 145 E HN 0.082 8.549 8.360 0.257 0.046 0.460 146 E N -4.286 115.960 120.200 0.077 0.000 8.880 146 E HA -0.307 nan 4.350 nan 0.000 0.183 146 E C -1.665 174.942 176.600 0.012 0.000 1.450 146 E CA 0.519 56.934 56.400 0.026 0.000 2.521 146 E CB 0.239 29.927 29.700 -0.020 0.000 1.229 146 E HN 0.019 8.397 8.360 0.087 0.035 0.443 147 T N 1.567 116.109 114.554 -0.020 0.000 3.172 147 T HA 0.237 nan 4.350 nan 0.000 0.320 147 T C -1.542 173.126 174.700 -0.054 0.000 1.085 147 T CA -0.288 61.797 62.100 -0.025 0.000 1.052 147 T CB 1.180 70.043 68.868 -0.008 0.000 1.107 147 T HN -0.172 8.047 8.240 -0.035 0.000 0.458 148 G N 2.238 110.992 108.800 -0.077 0.000 2.523 148 G HA2 0.013 nan 3.960 nan 0.000 0.291 148 G HA3 0.013 nan 3.960 nan 0.000 0.291 148 G C -2.175 172.667 174.900 -0.098 0.000 1.450 148 G CA -0.001 45.042 45.100 -0.095 0.000 0.790 148 G HN -0.222 8.026 8.290 -0.069 0.000 0.496 149 N N 0.332 118.984 118.700 -0.081 0.000 2.415 149 N HA 0.138 nan 4.740 nan 0.000 0.246 149 N C 0.226 175.693 175.510 -0.071 0.000 1.078 149 N CA -0.938 52.079 53.050 -0.056 0.000 0.942 149 N CB 0.207 38.675 38.487 -0.032 0.000 1.140 149 N HN 0.047 8.381 8.380 -0.077 0.000 0.501 150 I N 6.720 127.258 120.570 -0.053 0.000 2.472 150 I HA -0.167 nan 4.170 nan 0.000 0.305 150 I C 0.259 176.386 176.117 0.017 0.000 1.196 150 I CA 0.643 61.930 61.300 -0.021 0.000 1.613 150 I CB -1.508 36.530 38.000 0.064 0.000 1.501 150 I HN 0.410 8.597 8.210 -0.038 0.000 0.754 151 L N 6.100 127.327 121.223 0.007 0.000 2.109 151 L HA -0.171 nan 4.340 nan 0.000 0.207 151 L C 0.744 177.643 176.870 0.050 0.000 1.086 151 L CA 1.457 56.313 54.840 0.025 0.000 0.760 151 L CB -0.329 41.741 42.059 0.019 0.000 0.910 151 L HN 0.033 8.200 8.230 -0.018 0.052 0.437 152 D N -1.143 119.298 120.400 0.068 0.000 2.277 152 D HA 0.243 nan 4.640 nan 0.000 0.249 152 D C -0.743 175.637 176.300 0.132 0.000 1.134 152 D CA -2.357 51.706 54.000 0.103 0.000 0.863 152 D CB 1.277 42.155 40.800 0.130 0.000 1.143 152 D HN -0.458 7.909 8.370 0.052 0.035 0.458 153 P HA -0.186 nan 4.420 nan 0.000 0.215 153 P C 0.946 178.309 177.300 0.105 0.000 1.153 153 P CA 1.769 64.923 63.100 0.090 0.000 0.853 153 P CB 0.458 32.193 31.700 0.058 0.000 0.788 154 E N -2.403 117.871 120.200 0.123 0.000 2.204 154 E HA -0.247 nan 4.350 nan 0.000 0.194 154 E C 2.004 178.684 176.600 0.134 0.000 0.989 154 E CA 2.000 58.467 56.400 0.112 0.000 0.824 154 E CB -0.476 29.303 29.700 0.132 0.000 0.756 154 E HN -0.463 8.300 8.360 0.134 -0.322 0.477 155 Y N 0.664 121.018 120.300 0.091 0.000 2.283 155 Y HA -0.407 nan 4.550 nan 0.000 0.285 155 Y C 1.818 177.761 175.900 0.072 0.000 1.176 155 Y CA 2.694 60.853 58.100 0.098 0.000 1.229 155 Y CB -0.151 38.364 38.460 0.091 0.000 0.975 155 Y HN -0.346 8.359 8.280 0.318 -0.235 0.537 156 K N -1.137 119.199 120.400 -0.106 0.000 2.015 156 K HA -0.417 nan 4.320 nan 0.000 0.216 156 K C 1.996 178.492 176.600 -0.172 0.000 1.052 156 K CA 2.956 59.175 56.287 -0.114 0.000 0.937 156 K CB -0.570 31.938 32.500 0.012 0.000 0.719 156 K HN -0.499 7.765 8.250 0.061 0.023 0.446 157 L N -3.327 117.747 121.223 -0.248 0.000 2.633 157 L HA -0.124 nan 4.340 nan 0.000 0.235 157 L C 0.925 177.485 176.870 -0.518 0.000 1.163 157 L CA 0.994 55.491 54.840 -0.572 0.000 0.859 157 L CB -1.054 40.836 42.059 -0.281 0.000 0.973 157 L HN -0.183 7.871 8.230 -0.129 0.098 0.451 158 S N 0.230 115.748 115.700 -0.303 0.000 2.603 158 S HA -0.216 nan 4.470 nan 0.000 0.229 158 S C 1.085 175.635 174.600 -0.084 0.000 0.972 158 S CA 2.021 60.132 58.200 -0.148 0.000 0.935 158 S CB -0.311 62.823 63.200 -0.109 0.000 0.769 158 S HN -0.609 7.333 8.310 -0.283 0.199 0.536 159 Y N -1.167 119.146 120.300 0.022 0.000 2.181 159 Y HA -0.293 nan 4.550 nan 0.000 0.288 159 Y C 0.286 176.308 175.900 0.203 0.000 1.146 159 Y CA 1.667 59.831 58.100 0.108 0.000 1.164 159 Y CB -0.830 37.672 38.460 0.069 0.000 0.982 159 Y HN -0.467 7.636 8.280 -0.250 0.027 0.515 160 F N 0.264 120.103 119.950 -0.185 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.782 177.564 175.800 -0.029 0.000 1.068 160 F CA 1.127 59.120 58.000 -0.012 0.000 1.265 160 F CB 1.707 40.658 39.000 -0.082 0.000 1.087 160 F HN -0.623 7.288 8.300 -0.401 0.149 0.511 161 R N -0.986 119.474 120.500 -0.065 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.583 176.738 176.300 -0.241 0.000 1.136 161 R CA 3.075 59.076 56.100 -0.164 0.000 0.959 161 R CB 0.048 30.343 30.300 -0.008 0.000 0.856 161 R HN -0.526 7.781 8.270 0.063 0.000 0.437 162 E N -4.546 115.575 120.200 -0.131 0.000 2.444 162 E HA 0.028 nan 4.350 nan 0.000 0.191 162 E C -1.424 175.132 176.600 -0.074 0.000 1.041 162 E CA -0.718 55.626 56.400 -0.093 0.000 0.883 162 E CB -0.235 29.469 29.700 0.007 0.000 1.024 162 E HN -0.207 8.075 8.360 -0.079 0.030 0.470 163 D N 0.404 120.740 120.400 -0.106 0.000 2.339 163 D HA -0.028 nan 4.640 nan 0.000 0.245 163 D C 0.497 176.779 176.300 -0.030 0.000 1.115 163 D CA -0.066 53.903 54.000 -0.052 0.000 0.917 163 D CB 1.215 41.991 40.800 -0.040 0.000 1.192 163 D HN -0.920 7.239 8.370 -0.199 0.092 0.428 164 I N 3.863 124.411 120.570 -0.037 0.000 2.142 164 I HA -0.288 nan 4.170 nan 0.000 0.240 164 I C 1.048 177.201 176.117 0.060 0.000 1.078 164 I CA 3.936 65.242 61.300 0.010 0.000 1.343 164 I CB 0.354 38.202 38.000 -0.254 0.000 1.046 164 I HN 0.432 8.588 8.210 -0.091 0.000 0.405 165 G N -2.934 105.857 108.800 -0.014 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.434 176.253 174.900 -0.135 0.000 1.154 165 G CA 1.696 46.771 45.100 -0.042 0.000 0.784 165 G HN -0.179 8.108 8.290 -0.006 0.000 0.538 166 I N 2.915 123.305 120.570 -0.300 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.660 177.672 176.117 -0.174 0.000 1.053 166 I CA 3.057 64.077 61.300 -0.465 0.000 1.311 166 I CB -0.801 36.849 38.000 -0.583 0.000 1.030 166 I HN -0.871 7.347 8.210 -0.291 -0.182 0.398 167 N N -1.151 117.506 118.700 -0.072 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.318 177.931 175.510 0.172 0.000 1.016 167 N CA 3.020 56.053 53.050 -0.028 0.000 0.866 167 N CB -0.204 38.137 38.487 -0.244 0.000 0.980 167 N HN -0.074 8.273 8.380 -0.054 0.000 0.430 168 A N 0.424 123.408 122.820 0.272 0.000 1.858 168 A HA -0.280 nan 4.320 nan 0.000 0.216 168 A C 1.576 179.158 177.584 -0.004 0.000 1.190 168 A CA 3.185 55.282 52.037 0.099 0.000 0.617 168 A CB -0.781 18.261 19.000 0.069 0.000 0.827 168 A HN 0.131 8.474 8.150 0.320 0.000 0.443 169 H N 0.089 119.222 119.070 0.105 0.000 2.357 169 H HA -0.460 nan 4.556 nan 0.000 0.296 169 H C 1.994 177.527 175.328 0.342 0.000 1.108 169 H CA 4.057 60.246 56.048 0.235 0.000 1.273 169 H CB -0.002 29.857 29.762 0.162 0.000 1.367 169 H HN -0.205 8.193 8.280 0.197 0.000 0.498 170 H N -1.136 118.047 119.070 0.189 0.000 2.290 170 H HA -0.360 nan 4.556 nan 0.000 0.298 170 H C 2.796 178.351 175.328 0.379 0.000 1.087 170 H CA 3.784 59.993 56.048 0.268 0.000 1.291 170 H CB 0.246 30.128 29.762 0.200 0.000 1.369 170 H HN -0.562 7.916 8.280 0.363 0.019 0.492 171 W N 0.671 122.091 121.300 0.200 0.000 2.332 171 W HA -0.427 nan 4.660 nan 0.000 0.321 171 W C 1.710 178.370 176.519 0.234 0.000 1.219 171 W CA 4.009 61.481 57.345 0.213 0.000 1.277 171 W CB -0.303 29.235 29.460 0.130 0.000 1.161 171 W HN -0.446 8.022 8.180 0.481 0.000 0.476 172 H N -2.391 116.961 119.070 0.471 0.000 2.394 172 H HA -0.434 nan 4.556 nan 0.000 0.297 172 H C 2.308 177.674 175.328 0.062 0.000 1.113 172 H CA 3.215 59.401 56.048 0.229 0.000 1.277 172 H CB -0.888 28.983 29.762 0.180 0.000 1.370 172 H HN -0.067 8.233 8.280 0.035 0.000 0.506 173 W N -0.258 121.028 121.300 -0.023 0.000 2.358 173 W HA -0.379 nan 4.660 nan 0.000 0.303 173 W C 1.863 178.415 176.519 0.055 0.000 1.208 173 W CA 4.825 62.149 57.345 -0.035 0.000 1.274 173 W CB 0.044 29.425 29.460 -0.130 0.000 1.138 173 W HN 0.634 8.931 8.180 0.194 0.000 0.515 174 H N -3.446 115.821 119.070 0.329 0.000 2.539 174 H HA -0.055 nan 4.556 nan 0.000 0.267 174 H C 1.199 176.471 175.328 -0.092 0.000 0.982 174 H CA 2.570 58.739 56.048 0.203 0.000 1.146 174 H CB 0.253 30.199 29.762 0.308 0.000 1.382 174 H HN -0.675 7.874 8.280 0.448 0.000 0.577 175 I N -1.160 119.365 120.570 -0.075 0.000 2.584 175 I HA -0.189 nan 4.170 nan 0.000 0.255 175 I C 1.429 177.438 176.117 -0.181 0.000 1.145 175 I CA 1.213 62.373 61.300 -0.234 0.000 1.462 175 I CB 0.717 38.629 38.000 -0.147 0.000 1.102 175 I HN -0.279 7.856 8.210 0.021 0.088 0.433 176 V N -5.358 114.397 119.914 -0.265 0.000 2.591 176 V HA -0.102 nan 4.120 nan 0.000 0.249 176 V C 0.447 176.059 176.094 -0.802 0.000 1.053 176 V CA 1.885 63.894 62.300 -0.484 0.000 1.068 176 V CB -0.242 31.200 31.823 -0.635 0.000 0.689 176 V HN -0.360 7.704 8.190 -0.210 0.000 0.462 177 Y N -1.550 118.520 120.300 -0.383 0.000 2.919 177 Y HA 0.555 nan 4.550 nan 0.000 0.341 177 Y C -2.589 173.273 175.900 -0.064 0.000 1.045 177 Y CA -3.600 54.283 58.100 -0.362 0.000 1.218 177 Y CB -0.671 37.432 38.460 -0.595 0.000 1.137 177 Y HN 0.005 7.875 8.280 -0.497 0.112 0.577 178 P HA 0.107 nan 4.420 nan 0.000 0.276 178 P C -0.047 177.343 177.300 0.151 0.000 1.230 178 P CA -0.282 62.891 63.100 0.122 0.000 0.776 178 P CB 0.756 32.467 31.700 0.018 0.000 0.888 179 A N 4.622 127.524 122.820 0.136 0.000 1.940 179 A HA -0.289 nan 4.320 nan 0.000 0.219 179 A C 0.711 178.329 177.584 0.057 0.000 1.176 179 A CA 3.242 55.327 52.037 0.079 0.000 0.631 179 A CB -0.461 18.567 19.000 0.047 0.000 0.814 179 A HN 0.652 8.894 8.150 0.153 0.000 0.446 180 T N -5.691 108.873 114.554 0.017 0.000 3.252 180 T HA -0.091 nan 4.350 nan 0.000 0.250 180 T C 0.634 175.259 174.700 -0.125 0.000 1.123 180 T CA -1.165 60.899 62.100 -0.059 0.000 1.006 180 T CB -1.412 67.376 68.868 -0.133 0.000 0.992 180 T HN -0.173 8.072 8.240 0.016 0.004 0.547 181 W N 4.268 125.452 121.300 -0.193 0.000 2.771 181 W HA -0.223 nan 4.660 nan 0.000 0.407 181 W C -1.709 174.717 176.519 -0.154 0.000 1.221 181 W CA -0.140 57.082 57.345 -0.205 0.000 1.539 181 W CB -0.946 28.402 29.460 -0.187 0.000 1.647 181 W HN -0.267 7.826 8.180 0.165 0.187 0.469 182 N N 7.981 126.399 118.700 -0.469 0.000 2.452 182 N HA -0.054 nan 4.740 nan 0.000 0.266 182 N C -1.108 174.015 175.510 -0.646 0.000 1.209 182 N CA -0.963 51.839 53.050 -0.413 0.000 0.929 182 N CB 0.930 39.213 38.487 -0.340 0.000 1.063 182 N HN -0.369 7.695 8.380 -0.466 0.036 0.472 183 P HA -0.117 nan 4.420 nan 0.000 0.216 183 P C 0.080 177.272 177.300 -0.181 0.000 1.153 183 P CA 1.934 64.953 63.100 -0.135 0.000 0.844 183 P CB 0.613 32.339 31.700 0.045 0.000 0.787 184 T N -4.751 109.709 114.554 -0.156 0.000 2.732 184 T HA -0.151 nan 4.350 nan 0.000 0.261 184 T C 2.864 177.472 174.700 -0.152 0.000 1.040 184 T CA 3.237 65.269 62.100 -0.114 0.000 1.145 184 T CB -0.514 68.308 68.868 -0.077 0.000 0.866 184 T HN -0.114 8.218 8.240 -0.163 -0.190 0.427 185 V N 2.069 121.861 119.914 -0.203 0.000 2.759 185 V HA -0.190 nan 4.120 nan 0.000 0.256 185 V C 1.204 177.110 176.094 -0.313 0.000 1.080 185 V CA 3.091 65.266 62.300 -0.208 0.000 1.101 185 V CB -0.648 31.064 31.823 -0.186 0.000 0.698 185 V HN 0.259 8.657 8.190 -0.207 -0.332 0.477 186 M N -2.668 116.636 119.600 -0.492 0.000 2.560 186 M HA 0.164 nan 4.480 nan 0.000 0.297 186 M C 0.450 176.597 176.300 -0.255 0.000 1.201 186 M CA -1.582 53.358 55.300 -0.600 0.000 0.973 186 M CB -0.667 31.112 32.600 -1.368 0.000 1.401 186 M HN -0.410 7.547 8.290 -0.518 0.022 0.497 187 G N 0.529 109.244 108.800 -0.142 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.019 173.893 174.900 0.019 0.000 1.113 187 G CA 1.115 46.194 45.100 -0.035 0.000 0.655 187 G HN 0.130 8.124 8.290 -0.172 0.193 0.513 188 K N -0.510 119.940 120.400 0.083 0.000 2.522 188 K HA 0.359 nan 4.320 nan 0.000 0.275 188 K C -2.054 174.708 176.600 0.271 0.000 1.006 188 K CA -1.200 55.169 56.287 0.137 0.000 0.890 188 K CB 2.515 35.087 32.500 0.119 0.000 1.475 188 K HN -0.356 7.846 8.250 0.089 0.101 0.441 189 E N -0.192 120.116 120.200 0.180 0.000 2.285 189 E HA 0.220 nan 4.350 nan 0.000 0.254 189 E C -0.654 175.955 176.600 0.015 0.000 1.011 189 E CA -1.534 54.977 56.400 0.185 0.000 0.873 189 E CB 1.621 31.391 29.700 0.116 0.000 1.229 189 E HN 0.175 8.600 8.360 0.109 0.000 0.422 190 K N 0.212 120.595 120.400 -0.028 0.000 2.572 190 K HA 0.284 nan 4.320 nan 0.000 0.244 190 K C -1.150 175.462 176.600 0.019 0.000 0.965 190 K CA -1.437 54.787 56.287 -0.105 0.000 0.943 190 K CB 0.899 33.235 32.500 -0.273 0.000 1.154 190 K HN 0.321 8.605 8.250 0.057 0.000 0.447 191 D N 4.995 125.422 120.400 0.044 0.000 2.502 191 D HA -0.183 nan 4.640 nan 0.000 0.249 191 D C -0.003 176.315 176.300 0.030 0.000 1.188 191 D CA 1.578 55.611 54.000 0.055 0.000 0.890 191 D CB -0.126 40.715 40.800 0.067 0.000 1.140 191 D HN 0.323 8.707 8.370 0.023 0.000 0.505 192 R N 0.182 120.694 120.500 0.019 0.000 3.641 192 R HA -0.552 nan 4.340 nan 0.000 0.286 192 R C 0.700 176.970 176.300 -0.050 0.000 1.153 192 R CA 1.074 57.177 56.100 0.004 0.000 0.775 192 R CB -1.855 28.454 30.300 0.016 0.000 1.215 192 R HN 0.713 9.005 8.270 0.037 0.000 0.474 193 K N -1.223 119.114 120.400 -0.104 0.000 2.152 193 K HA -0.280 nan 4.320 nan 0.000 0.206 193 K C 1.738 178.356 176.600 0.029 0.000 1.048 193 K CA 2.805 58.956 56.287 -0.227 0.000 0.933 193 K CB -0.583 31.796 32.500 -0.202 0.000 0.721 193 K HN -0.536 7.683 8.250 -0.052 0.000 0.447 194 G N -1.157 107.703 108.800 0.100 0.000 2.434 194 G HA2 -0.309 nan 3.960 nan 0.000 0.214 194 G HA3 -0.309 nan 3.960 nan 0.000 0.214 194 G C 0.492 175.560 174.900 0.281 0.000 1.202 194 G CA 1.823 47.061 45.100 0.231 0.000 0.788 194 G HN -0.500 8.041 8.290 0.067 -0.210 0.539 195 E N 1.936 122.235 120.200 0.165 0.000 2.058 195 E HA -0.264 nan 4.350 nan 0.000 0.194 195 E C 2.000 178.666 176.600 0.110 0.000 0.997 195 E CA 2.563 59.038 56.400 0.126 0.000 0.801 195 E CB -0.331 29.416 29.700 0.080 0.000 0.746 195 E HN -0.488 7.951 8.360 0.131 0.000 0.450 196 L N -0.982 120.305 121.223 0.106 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.152 178.180 176.870 0.263 0.000 1.092 196 L CA 2.771 57.717 54.840 0.175 0.000 0.759 196 L CB -0.515 41.628 42.059 0.141 0.000 0.903 196 L HN 0.066 8.344 8.230 0.080 0.000 0.435 197 F N 0.712 120.742 119.950 0.133 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.300 176.990 175.800 -0.183 0.000 1.087 197 F CA 3.232 61.197 58.000 -0.059 0.000 1.340 197 F CB -0.056 38.968 39.000 0.041 0.000 1.031 197 F HN -0.476 7.946 8.300 0.387 0.111 0.500 198 F N 1.477 121.010 119.950 -0.694 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.619 176.129 175.800 -0.483 0.000 1.133 198 F CA 2.999 60.370 58.000 -1.048 0.000 1.188 198 F CB -0.709 37.445 39.000 -1.410 0.000 0.968 198 F HN 0.053 8.199 8.300 -0.137 0.072 0.476 199 Y N -0.044 119.721 120.300 -0.891 0.000 2.049 199 Y HA -0.559 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.224 175.900 -0.667 0.000 1.143 199 Y CA 3.555 61.077 58.100 -0.964 0.000 1.115 199 Y CB -0.079 38.058 38.460 -0.538 0.000 0.975 199 Y HN -0.105 8.023 8.280 -0.252 0.000 0.487 200 M N -2.068 117.191 119.600 -0.568 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.838 177.627 176.300 -0.851 0.000 1.071 200 M CA 3.055 57.889 55.300 -0.775 0.000 1.088 200 M CB -0.430 31.693 32.600 -0.796 0.000 1.360 200 M HN 0.084 8.231 8.290 -0.237 0.000 0.404 201 H N -2.057 116.638 119.070 -0.625 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.447 177.595 175.328 -0.300 0.000 1.059 201 H CA 3.960 59.793 56.048 -0.359 0.000 1.363 201 H CB -0.437 29.110 29.762 -0.360 0.000 1.410 201 H HN -0.457 7.434 8.280 -0.424 0.135 0.528 202 Q N -0.101 119.474 119.800 -0.376 0.000 2.020 202 Q HA -0.403 nan 4.340 nan 0.000 0.202 202 Q C 2.331 178.097 176.000 -0.390 0.000 0.982 202 Q CA 3.459 59.067 55.803 -0.325 0.000 0.838 202 Q CB -0.166 28.298 28.738 -0.456 0.000 0.899 202 Q HN -0.007 7.945 8.270 -0.531 0.000 0.423 203 Q N -1.154 118.205 119.800 -0.736 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.702 178.290 176.000 -0.685 0.000 0.987 203 Q CA 2.783 58.082 55.803 -0.841 0.000 0.858 203 Q CB -0.433 27.404 28.738 -1.502 0.000 0.905 203 Q HN 0.223 7.898 8.270 -0.992 0.000 0.420 204 M N -0.273 118.960 119.600 -0.611 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.521 176.300 0.247 0.000 1.071 204 M CA 4.521 59.752 55.300 -0.115 0.000 1.103 204 M CB -0.016 32.711 32.600 0.212 0.000 1.307 204 M HN 0.056 7.924 8.290 -0.704 0.000 0.409 205 C N -2.526 116.902 119.300 0.213 0.000 2.472 205 C HA -0.149 nan 4.460 nan 0.000 0.278 205 C C 2.086 177.198 174.990 0.204 0.000 1.447 205 C CA 2.431 61.651 59.018 0.336 0.000 1.773 205 C CB -2.438 25.501 27.740 0.332 0.000 1.793 205 C HN -0.178 8.104 8.230 0.085 0.000 0.544 206 A N 1.198 124.054 122.820 0.060 0.000 1.935 206 A HA -0.134 nan 4.320 nan 0.000 0.214 206 A C 1.482 179.070 177.584 0.007 0.000 1.178 206 A CA 3.030 55.082 52.037 0.025 0.000 0.640 206 A CB -0.624 18.368 19.000 -0.013 0.000 0.825 206 A HN 0.673 8.679 8.150 -0.025 0.129 0.447 207 R N -0.489 120.007 120.500 -0.008 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.020 178.195 176.300 -0.207 0.000 1.137 207 R CA 3.568 59.650 56.100 -0.029 0.000 0.951 207 R CB -0.131 30.237 30.300 0.113 0.000 0.851 207 R HN -0.175 8.063 8.270 -0.053 0.000 0.434 208 Y N 0.479 120.597 120.300 -0.303 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.342 177.068 175.900 -0.290 0.000 1.159 208 Y CA 3.479 61.314 58.100 -0.441 0.000 1.125 208 Y CB -0.150 38.131 38.460 -0.298 0.000 0.969 208 Y HN 0.155 8.566 8.280 0.218 0.000 0.492 209 D N -2.684 117.651 120.400 -0.108 0.000 2.228 209 D HA -0.397 nan 4.640 nan 0.000 0.203 209 D C 2.735 178.929 176.300 -0.176 0.000 0.988 209 D CA 3.267 57.169 54.000 -0.163 0.000 0.864 209 D CB -0.941 39.846 40.800 -0.021 0.000 0.928 209 D HN 0.031 8.334 8.370 0.100 0.127 0.469 210 S N -0.177 115.450 115.700 -0.121 0.000 2.345 210 S HA -0.237 nan 4.470 nan 0.000 0.220 210 S C 1.810 176.359 174.600 -0.085 0.000 1.031 210 S CA 3.095 61.276 58.200 -0.032 0.000 0.996 210 S CB -0.068 63.184 63.200 0.087 0.000 0.882 210 S HN -0.212 8.014 8.310 -0.105 0.021 0.445 211 E N 0.720 120.787 120.200 -0.221 0.000 2.187 211 E HA -0.429 nan 4.350 nan 0.000 0.199 211 E C 2.760 179.195 176.600 -0.274 0.000 1.004 211 E CA 3.162 59.426 56.400 -0.228 0.000 0.813 211 E CB -0.482 28.960 29.700 -0.431 0.000 0.736 211 E HN -0.184 7.941 8.360 -0.296 0.057 0.468 212 R N -1.621 118.609 120.500 -0.450 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.583 178.771 176.300 -0.187 0.000 1.137 212 R CA 3.181 59.064 56.100 -0.362 0.000 0.945 212 R CB -0.102 29.937 30.300 -0.434 0.000 0.845 212 R HN 0.246 8.162 8.270 -0.580 0.005 0.430 213 L N -1.394 119.736 121.223 -0.155 0.000 2.201 213 L HA -0.245 nan 4.340 nan 0.000 0.212 213 L C 2.854 179.681 176.870 -0.072 0.000 1.105 213 L CA 2.881 57.652 54.840 -0.116 0.000 0.775 213 L CB -0.648 41.327 42.059 -0.140 0.000 0.913 213 L HN -0.492 7.631 8.230 -0.179 0.000 0.440 214 S N 1.661 117.361 115.700 0.000 0.000 2.368 214 S HA -0.334 nan 4.470 nan 0.000 0.225 214 S C 1.942 176.555 174.600 0.022 0.000 1.030 214 S CA 3.893 62.148 58.200 0.091 0.000 0.999 214 S CB -0.905 62.388 63.200 0.155 0.000 0.844 214 S HN 0.552 8.828 8.310 -0.014 0.027 0.459 215 N N -1.368 117.327 118.700 -0.008 0.000 2.520 215 N HA -0.215 nan 4.740 nan 0.000 0.185 215 N C 0.029 175.517 175.510 -0.037 0.000 1.068 215 N CA 1.087 54.126 53.050 -0.019 0.000 0.911 215 N CB 0.332 38.808 38.487 -0.020 0.000 0.961 215 N HN -0.799 7.560 8.380 -0.019 0.010 0.446 216 G N -1.868 106.898 108.800 -0.058 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.866 173.995 174.900 -0.064 0.000 1.062 216 G CA 0.276 45.334 45.100 -0.070 0.000 0.815 216 G HN -0.417 7.620 8.290 -0.061 0.216 0.497 217 L N -2.272 118.906 121.223 -0.075 0.000 2.299 217 L HA 0.411 nan 4.340 nan 0.000 0.268 217 L C -0.747 176.072 176.870 -0.086 0.000 1.012 217 L CA -2.101 52.695 54.840 -0.074 0.000 0.816 217 L CB 2.806 44.815 42.059 -0.083 0.000 1.355 217 L HN -0.034 8.144 8.230 -0.086 0.000 0.457 218 Q N -3.218 116.540 119.800 -0.071 0.000 2.260 218 Q HA 0.175 nan 4.340 nan 0.000 0.238 218 Q C -0.391 175.559 176.000 -0.084 0.000 0.948 218 Q CA -1.003 54.760 55.803 -0.066 0.000 0.895 218 Q CB 0.984 29.700 28.738 -0.038 0.000 1.218 218 Q HN 0.031 8.268 8.270 -0.056 0.000 0.470 219 R N -0.327 120.129 120.500 -0.073 0.000 2.740 219 R HA -0.258 nan 4.340 nan 0.000 0.263 219 R C -0.146 176.153 176.300 -0.002 0.000 0.997 219 R CA 1.232 57.298 56.100 -0.057 0.000 1.108 219 R CB 0.401 30.686 30.300 -0.024 0.000 0.969 219 R HN -0.118 8.284 8.270 -0.067 -0.173 0.431 220 M N 1.909 121.543 119.600 0.057 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.372 176.014 176.300 0.144 0.000 1.342 220 M CA -1.014 54.377 55.300 0.151 0.000 1.117 220 M CB 0.787 33.593 32.600 0.342 0.000 1.670 220 M HN -0.011 8.677 8.290 0.065 -0.359 0.466 221 I N 7.106 127.751 120.570 0.125 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.825 174.378 176.117 0.143 0.000 1.140 221 I CA -2.715 58.651 61.300 0.111 0.000 1.420 221 I CB 0.965 39.014 38.000 0.083 0.000 1.387 221 I HN 0.103 8.383 8.210 0.117 0.000 0.553 222 P HA 0.004 nan 4.420 nan 0.000 0.271 222 P C -1.150 176.221 177.300 0.117 0.000 1.218 222 P CA -0.871 62.323 63.100 0.157 0.000 0.780 222 P CB 0.726 32.527 31.700 0.169 0.000 0.901 223 F N 4.369 124.239 119.950 -0.133 0.000 2.661 223 F HA -0.035 nan 4.527 nan 0.000 0.356 223 F C -0.512 174.774 175.800 -0.857 0.000 1.244 223 F CA -1.198 56.574 58.000 -0.380 0.000 1.290 223 F CB -0.655 38.149 39.000 -0.327 0.000 1.677 223 F HN 0.162 8.497 8.300 0.179 0.072 0.649 224 H N 5.057 123.766 119.070 -0.601 0.000 2.436 224 H HA -0.142 nan 4.556 nan 0.000 0.294 224 H C -0.624 174.285 175.328 -0.699 0.000 1.048 224 H CA 1.458 57.192 56.048 -0.524 0.000 1.353 224 H CB 0.739 30.400 29.762 -0.168 0.000 1.414 224 H HN -0.057 8.043 8.280 -0.212 0.053 0.536 225 N N -2.416 115.829 118.700 -0.759 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.443 174.411 175.510 -1.093 0.000 1.133 225 N CA -1.410 51.284 53.050 -0.593 0.000 0.853 225 N CB 1.639 39.972 38.487 -0.257 0.000 1.241 225 N HN -0.519 7.384 8.380 -0.795 0.000 0.502 226 F N -0.590 119.017 119.950 -0.573 0.000 2.530 226 F HA -0.036 nan 4.527 nan 0.000 0.292 226 F C 0.946 176.645 175.800 -0.169 0.000 1.109 226 F CA 1.839 59.604 58.000 -0.392 0.000 1.450 226 F CB 0.732 39.676 39.000 -0.094 0.000 1.114 226 F HN 0.424 8.759 8.300 0.059 0.000 0.560 227 D N -0.912 119.487 120.400 -0.000 0.000 2.104 227 D HA -0.257 nan 4.640 nan 0.000 0.194 227 D C 0.762 177.071 176.300 0.016 0.000 0.994 227 D CA 2.684 56.690 54.000 0.010 0.000 0.830 227 D CB -0.295 40.496 40.800 -0.014 0.000 0.959 227 D HN -0.707 7.894 8.370 -0.017 -0.242 0.452 228 E N -0.370 119.793 120.200 -0.062 0.000 2.493 228 E HA 0.077 nan 4.350 nan 0.000 0.255 228 E C -1.331 175.353 176.600 0.140 0.000 0.999 228 E CA -1.125 55.272 56.400 -0.005 0.000 0.934 228 E CB -0.684 28.966 29.700 -0.085 0.000 0.940 228 E HN 0.013 8.272 8.360 -0.168 0.000 0.473 229 P HA -0.143 nan 4.420 nan 0.000 0.267 229 P C -1.569 175.879 177.300 0.248 0.000 1.195 229 P CA 0.670 63.898 63.100 0.213 0.000 0.773 229 P CB 0.358 32.161 31.700 0.172 0.000 0.837 230 L N 1.492 122.863 121.223 0.246 0.000 2.325 230 L HA 0.216 nan 4.340 nan 0.000 0.279 230 L C -0.040 176.909 176.870 0.132 0.000 1.054 230 L CA -0.654 54.289 54.840 0.172 0.000 0.804 230 L CB 1.059 43.182 42.059 0.106 0.000 1.200 230 L HN 0.353 8.644 8.230 0.279 0.106 0.436 231 E N 2.247 122.509 120.200 0.104 0.000 2.422 231 E HA -0.143 nan 4.350 nan 0.000 0.260 231 E C 0.307 176.946 176.600 0.065 0.000 1.108 231 E CA 0.622 57.077 56.400 0.091 0.000 0.943 231 E CB 0.810 30.566 29.700 0.094 0.000 0.961 231 E HN 0.299 8.721 8.360 0.104 0.000 0.443 232 G N -0.583 108.260 108.800 0.072 0.000 2.377 232 G HA2 0.372 nan 3.960 nan 0.000 0.299 232 G HA3 0.372 nan 3.960 nan 0.000 0.299 232 G C -1.760 173.236 174.900 0.161 0.000 1.150 232 G CA -0.439 44.690 45.100 0.049 0.000 0.847 232 G HN 0.015 8.358 8.290 0.088 0.000 0.501 233 Y N 3.940 124.207 120.300 -0.054 0.000 2.474 233 Y HA 0.067 nan 4.550 nan 0.000 0.326 233 Y C -2.930 172.924 175.900 -0.077 0.000 1.160 233 Y CA 0.468 58.547 58.100 -0.036 0.000 1.056 233 Y CB 4.247 42.696 38.460 -0.017 0.000 1.330 233 Y HN 0.807 9.006 8.280 0.042 0.106 0.447 234 A N 5.772 128.123 122.820 -0.781 0.000 2.293 234 A HA 0.466 nan 4.320 nan 0.000 0.312 234 A C -1.828 175.103 177.584 -1.087 0.000 1.309 234 A CA -4.440 47.119 52.037 -0.795 0.000 0.839 234 A CB 0.558 19.143 19.000 -0.692 0.000 1.155 234 A HN 0.286 7.921 8.150 -0.857 0.000 0.501 235 P HA -0.183 nan 4.420 nan 0.000 0.220 235 P C -0.717 176.551 177.300 -0.054 0.000 1.148 235 P CA 1.139 64.045 63.100 -0.322 0.000 0.803 235 P CB 0.174 31.797 31.700 -0.129 0.000 0.782 236 H N -6.880 112.100 119.070 -0.150 0.000 2.880 236 H HA -0.286 nan 4.556 nan 0.000 0.304 236 H C -1.703 173.624 175.328 -0.002 0.000 1.259 236 H CA 0.345 56.357 56.048 -0.061 0.000 1.153 236 H CB -1.889 27.845 29.762 -0.047 0.000 1.395 236 H HN 0.387 8.369 8.280 -0.419 0.046 0.420 237 L N -0.551 120.724 121.223 0.086 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.219 175.777 176.870 0.210 0.000 0.991 237 L CA -0.902 54.014 54.840 0.127 0.000 0.851 237 L CB 1.735 43.811 42.059 0.029 0.000 1.218 237 L HN -0.285 7.969 8.230 0.040 0.000 0.420 238 T N 0.095 114.749 114.554 0.168 0.000 2.875 238 T HA 0.477 nan 4.350 nan 0.000 0.284 238 T C -0.016 174.781 174.700 0.163 0.000 0.995 238 T CA -2.480 59.707 62.100 0.145 0.000 1.060 238 T CB 1.012 69.935 68.868 0.091 0.000 0.967 238 T HN 0.119 8.446 8.240 0.144 0.000 0.476 239 S N 3.627 119.396 115.700 0.115 0.000 2.499 239 S HA 0.271 nan 4.470 nan 0.000 0.275 239 S C 1.733 176.403 174.600 0.116 0.000 1.257 239 S CA -0.934 57.339 58.200 0.121 0.000 1.050 239 S CB 1.120 64.311 63.200 -0.014 0.000 0.937 239 S HN 0.161 8.504 8.310 0.054 0.000 0.490 240 L N 1.166 122.491 121.223 0.170 0.000 2.450 240 L HA -0.083 nan 4.340 nan 0.000 0.224 240 L C 0.769 177.721 176.870 0.138 0.000 1.149 240 L CA 2.072 57.004 54.840 0.154 0.000 0.816 240 L CB -0.707 41.462 42.059 0.184 0.000 0.932 240 L HN 0.001 8.592 8.230 0.222 -0.228 0.449 241 V N -7.326 112.673 119.914 0.142 0.000 3.141 241 V HA -0.055 nan 4.120 nan 0.000 0.265 241 V C 0.599 176.728 176.094 0.057 0.000 1.126 241 V CA 0.568 62.936 62.300 0.113 0.000 1.141 241 V CB -0.454 31.431 31.823 0.103 0.000 0.743 241 V HN -0.009 8.194 8.190 0.141 0.071 0.492 242 S N 0.308 116.033 115.700 0.042 0.000 3.407 242 S HA 0.273 nan 4.470 nan 0.000 0.315 242 S C -0.354 174.259 174.600 0.020 0.000 1.211 242 S CA -0.247 57.966 58.200 0.021 0.000 1.148 242 S CB 0.561 63.765 63.200 0.006 0.000 1.511 242 S HN -0.413 7.869 8.310 0.052 0.059 0.604 243 G N 0.075 108.881 108.800 0.010 0.000 2.709 243 G HA2 0.123 nan 3.960 nan 0.000 0.208 243 G HA3 0.123 nan 3.960 nan 0.000 0.208 243 G C -0.487 174.417 174.900 0.006 0.000 1.129 243 G CA 0.084 45.191 45.100 0.011 0.000 0.793 243 G HN 0.104 8.396 8.290 0.004 0.000 0.524 244 L N -0.162 121.055 121.223 -0.009 0.000 2.425 244 L HA -0.014 nan 4.340 nan 0.000 0.225 244 L C -1.141 175.710 176.870 -0.033 0.000 1.222 244 L CA 0.666 55.491 54.840 -0.024 0.000 0.832 244 L CB 0.662 42.697 42.059 -0.040 0.000 1.238 244 L HN -0.653 7.571 8.230 -0.011 0.000 0.533 245 Q N -5.364 114.407 119.800 -0.049 0.000 2.534 245 Q HA 0.305 nan 4.340 nan 0.000 0.290 245 Q C -1.222 174.737 176.000 -0.069 0.000 0.991 245 Q CA -1.497 54.287 55.803 -0.030 0.000 0.783 245 Q CB 2.772 31.541 28.738 0.051 0.000 1.470 245 Q HN -0.204 8.035 8.270 -0.052 0.000 0.406 246 Y N 0.452 120.751 120.300 -0.002 0.000 2.828 246 Y HA -0.307 nan 4.550 nan 0.000 0.359 246 Y C -0.129 175.756 175.900 -0.024 0.000 1.258 246 Y CA 1.383 59.480 58.100 -0.005 0.000 1.652 246 Y CB -1.100 37.355 38.460 -0.009 0.000 1.232 246 Y HN -0.292 8.150 8.280 0.269 0.000 0.513 247 A N 6.575 129.445 122.820 0.083 0.000 2.567 247 A HA -0.191 nan 4.320 nan 0.000 0.240 247 A C -1.423 176.179 177.584 0.030 0.000 1.053 247 A CA 0.679 52.739 52.037 0.038 0.000 0.755 247 A CB 0.500 19.523 19.000 0.039 0.000 0.978 247 A HN 0.167 8.346 8.150 0.049 0.000 0.507 248 S N -0.095 115.586 115.700 -0.033 0.000 2.509 248 S HA 0.206 nan 4.470 nan 0.000 0.297 248 S C -0.692 173.844 174.600 -0.106 0.000 1.118 248 S CA -1.368 56.788 58.200 -0.073 0.000 1.074 248 S CB 2.114 65.218 63.200 -0.160 0.000 1.038 248 S HN -0.363 7.916 8.310 -0.051 0.000 0.498 249 R N 3.397 123.832 120.500 -0.109 0.000 2.267 249 R HA 0.407 nan 4.340 nan 0.000 0.319 249 R C -1.687 174.436 176.300 -0.295 0.000 1.067 249 R CA -2.652 53.306 56.100 -0.237 0.000 0.936 249 R CB 0.643 30.841 30.300 -0.169 0.000 1.006 249 R HN 0.114 8.354 8.270 -0.049 0.000 0.452 250 P HA -0.024 nan 4.420 nan 0.000 0.274 250 P C -1.278 175.802 177.300 -0.367 0.000 1.231 250 P CA -0.463 62.441 63.100 -0.327 0.000 0.790 250 P CB 0.488 32.095 31.700 -0.155 0.000 0.951 251 E N 1.069 121.238 120.200 -0.052 0.000 2.397 251 E HA -0.176 nan 4.350 nan 0.000 0.254 251 E C 0.591 177.356 176.600 0.275 0.000 1.231 251 E CA -0.056 56.395 56.400 0.085 0.000 0.954 251 E CB -0.033 29.724 29.700 0.095 0.000 1.024 251 E HN 0.000 8.353 8.360 -0.013 0.000 0.481 252 G N -1.149 107.818 108.800 0.278 0.000 2.147 252 G HA2 -0.366 nan 3.960 nan 0.000 0.244 252 G HA3 -0.366 nan 3.960 nan 0.000 0.244 252 G C -0.893 174.226 174.900 0.366 0.000 1.005 252 G CA 0.395 45.661 45.100 0.278 0.000 0.713 252 G HN -0.174 8.247 8.290 0.218 0.000 0.515 253 Y N -0.043 120.324 120.300 0.111 0.000 2.353 253 Y HA 0.168 nan 4.550 nan 0.000 0.340 253 Y C -1.172 174.828 175.900 0.167 0.000 0.972 253 Y CA -2.328 55.856 58.100 0.139 0.000 1.157 253 Y CB 0.507 39.043 38.460 0.126 0.000 1.157 253 Y HN -0.870 7.670 8.280 0.472 0.024 0.495 254 S N 2.754 118.581 115.700 0.211 0.000 2.617 254 S HA 0.286 nan 4.470 nan 0.000 0.269 254 S C -1.107 173.647 174.600 0.257 0.000 1.292 254 S CA -1.141 57.169 58.200 0.183 0.000 1.010 254 S CB 1.083 64.307 63.200 0.041 0.000 0.944 254 S HN 0.506 8.886 8.310 0.117 0.000 0.536 255 I N 3.369 124.079 120.570 0.233 0.000 2.575 255 I HA -0.019 nan 4.170 nan 0.000 0.285 255 I C -1.609 174.597 176.117 0.148 0.000 1.085 255 I CA -0.400 61.063 61.300 0.272 0.000 1.403 255 I CB 0.917 39.147 38.000 0.383 0.000 1.409 255 I HN 0.113 8.451 8.210 0.214 0.000 0.557 256 H N 6.996 126.136 119.070 0.116 0.000 2.690 256 H HA 0.243 nan 4.556 nan 0.000 0.368 256 H C -1.327 174.035 175.328 0.056 0.000 1.150 256 H CA -1.180 54.913 56.048 0.074 0.000 1.174 256 H CB 3.040 32.843 29.762 0.069 0.000 1.684 256 H HN 0.382 8.849 8.280 0.312 0.000 0.538 257 D N 1.641 122.118 120.400 0.127 0.000 2.364 257 D HA 0.097 nan 4.640 nan 0.000 0.236 257 D C -0.861 175.486 176.300 0.079 0.000 1.221 257 D CA 1.108 55.140 54.000 0.052 0.000 0.891 257 D CB 0.544 41.344 40.800 -0.000 0.000 1.190 257 D HN 0.102 8.526 8.370 0.089 0.000 0.449 258 L N -0.889 120.357 121.223 0.038 0.000 2.323 258 L HA 0.292 nan 4.340 nan 0.000 0.265 258 L C 0.467 177.366 176.870 0.048 0.000 1.012 258 L CA -1.061 53.822 54.840 0.073 0.000 0.820 258 L CB 2.355 44.475 42.059 0.101 0.000 1.334 258 L HN 0.255 8.476 8.230 -0.015 0.000 0.427 259 S N 0.847 116.602 115.700 0.092 0.000 2.465 259 S HA -0.281 nan 4.470 nan 0.000 0.241 259 S C 0.030 174.669 174.600 0.064 0.000 1.000 259 S CA 2.798 61.048 58.200 0.084 0.000 0.964 259 S CB -0.204 63.074 63.200 0.130 0.000 0.763 259 S HN 0.810 9.193 8.310 0.122 0.000 0.512 260 D N 0.839 121.268 120.400 0.048 0.000 2.429 260 D HA -0.002 nan 4.640 nan 0.000 0.242 260 D C -0.497 175.685 176.300 -0.196 0.000 1.076 260 D CA 0.735 54.704 54.000 -0.052 0.000 0.955 260 D CB 0.820 41.608 40.800 -0.021 0.000 1.076 260 D HN 0.051 8.447 8.370 0.097 0.032 0.448 261 V N 0.479 120.209 119.914 -0.306 0.000 2.628 261 V HA 0.187 nan 4.120 nan 0.000 0.306 261 V C -1.479 174.449 176.094 -0.275 0.000 1.045 261 V CA -1.332 60.719 62.300 -0.414 0.000 0.905 261 V CB 2.689 34.059 31.823 -0.755 0.000 0.997 261 V HN -0.424 7.634 8.190 -0.220 0.000 0.436 262 D N 4.011 124.236 120.400 -0.291 0.000 2.372 262 D HA -0.014 nan 4.640 nan 0.000 0.243 262 D C 1.027 177.152 176.300 -0.292 0.000 1.121 262 D CA 0.123 53.977 54.000 -0.243 0.000 0.898 262 D CB 0.452 41.118 40.800 -0.223 0.000 1.202 262 D HN -0.034 8.149 8.370 -0.312 0.000 0.428 263 V N 0.748 120.537 119.914 -0.208 0.000 2.568 263 V HA -0.429 nan 4.120 nan 0.000 0.253 263 V C 1.580 177.419 176.094 -0.426 0.000 1.072 263 V CA 4.251 66.412 62.300 -0.232 0.000 1.084 263 V CB -0.937 30.815 31.823 -0.118 0.000 0.676 263 V HN 0.015 8.405 8.190 -0.150 -0.290 0.469 264 Q N -0.252 119.326 119.800 -0.368 0.000 2.030 264 Q HA -0.460 nan 4.340 nan 0.000 0.204 264 Q C 1.637 177.334 176.000 -0.506 0.000 0.986 264 Q CA 3.712 59.280 55.803 -0.392 0.000 0.843 264 Q CB -0.430 28.137 28.738 -0.285 0.000 0.904 264 Q HN 0.091 8.176 8.270 -0.286 0.013 0.420 265 D N 0.193 120.222 120.400 -0.619 0.000 2.178 265 D HA -0.258 nan 4.640 nan 0.000 0.201 265 D C 2.461 177.883 176.300 -1.463 0.000 0.980 265 D CA 3.401 56.811 54.000 -0.983 0.000 0.842 265 D CB -0.170 39.996 40.800 -1.055 0.000 0.948 265 D HN -0.411 7.767 8.370 -0.528 -0.125 0.472 266 M N -1.260 117.734 119.600 -1.010 0.000 2.080 266 M HA -0.342 nan 4.480 nan 0.000 0.260 266 M C 2.394 178.524 176.300 -0.284 0.000 1.068 266 M CA 3.274 58.314 55.300 -0.434 0.000 1.109 266 M CB -1.017 31.498 32.600 -0.141 0.000 1.342 266 M HN -0.462 7.332 8.290 -0.819 0.004 0.405 267 V N -0.535 119.068 119.914 -0.519 0.000 2.407 267 V HA -0.472 nan 4.120 nan 0.000 0.248 267 V C 2.195 178.151 176.094 -0.229 0.000 1.055 267 V CA 4.232 66.286 62.300 -0.409 0.000 1.049 267 V CB -1.232 30.300 31.823 -0.485 0.000 0.662 267 V HN -0.273 7.446 8.190 -0.616 0.101 0.455 268 R N -0.613 119.684 120.500 -0.338 0.000 2.070 268 R HA -0.360 nan 4.340 nan 0.000 0.232 268 R C 2.184 178.386 176.300 -0.164 0.000 1.138 268 R CA 3.756 59.687 56.100 -0.282 0.000 0.936 268 R CB -0.227 29.843 30.300 -0.384 0.000 0.839 268 R HN 0.264 8.055 8.270 -0.469 0.197 0.429 269 W N -2.139 119.060 121.300 -0.169 0.000 2.305 269 W HA -0.306 nan 4.660 nan 0.000 0.308 269 W C 2.386 178.854 176.519 -0.084 0.000 1.226 269 W CA 1.962 59.211 57.345 -0.161 0.000 1.253 269 W CB -1.088 28.340 29.460 -0.053 0.000 1.146 269 W HN 0.243 8.098 8.180 -0.542 0.000 0.507 270 R N -1.415 119.206 120.500 0.203 0.000 2.080 270 R HA -0.464 nan 4.340 nan 0.000 0.236 270 R C 2.138 178.465 176.300 0.046 0.000 1.137 270 R CA 3.791 59.974 56.100 0.137 0.000 0.943 270 R CB -0.202 30.225 30.300 0.212 0.000 0.846 270 R HN -0.496 7.891 8.270 0.195 0.000 0.431 271 E N -1.869 118.341 120.200 0.017 0.000 2.110 271 E HA -0.291 nan 4.350 nan 0.000 0.193 271 E C 2.814 179.405 176.600 -0.015 0.000 0.988 271 E CA 2.381 58.776 56.400 -0.008 0.000 0.804 271 E CB -0.949 28.739 29.700 -0.021 0.000 0.745 271 E HN -0.559 7.807 8.360 0.010 0.000 0.458 272 R N -1.043 119.427 120.500 -0.049 0.000 2.127 272 R HA -0.276 nan 4.340 nan 0.000 0.238 272 R C 3.050 179.390 176.300 0.067 0.000 1.134 272 R CA 3.017 59.055 56.100 -0.104 0.000 0.975 272 R CB -0.196 29.790 30.300 -0.524 0.000 0.865 272 R HN -0.037 8.195 8.270 -0.063 0.000 0.447 273 I N -0.116 120.513 120.570 0.099 0.000 2.235 273 I HA -0.389 nan 4.170 nan 0.000 0.241 273 I C 1.453 177.540 176.117 -0.049 0.000 1.085 273 I CA 3.667 65.026 61.300 0.097 0.000 1.378 273 I CB 0.089 38.094 38.000 0.008 0.000 1.076 273 I HN -0.134 7.988 8.210 0.058 0.123 0.415 274 L N -1.047 120.137 121.223 -0.066 0.000 2.083 274 L HA -0.484 nan 4.340 nan 0.000 0.209 274 L C 2.152 178.956 176.870 -0.110 0.000 1.083 274 L CA 3.273 58.049 54.840 -0.107 0.000 0.752 274 L CB -0.852 41.164 42.059 -0.072 0.000 0.899 274 L HN 0.163 8.298 8.230 -0.033 0.076 0.433 275 D N -0.809 119.550 120.400 -0.068 0.000 2.117 275 D HA -0.300 nan 4.640 nan 0.000 0.197 275 D C 1.551 177.767 176.300 -0.140 0.000 0.987 275 D CA 3.708 57.664 54.000 -0.074 0.000 0.829 275 D CB -0.146 40.640 40.800 -0.024 0.000 0.961 275 D HN 0.062 8.409 8.370 -0.039 0.000 0.460 276 A N -1.060 121.680 122.820 -0.133 0.000 2.015 276 A HA -0.169 nan 4.320 nan 0.000 0.219 276 A C 2.267 179.641 177.584 -0.349 0.000 1.163 276 A CA 2.692 54.580 52.037 -0.249 0.000 0.646 276 A CB -0.766 18.192 19.000 -0.071 0.000 0.806 276 A HN -0.730 7.294 8.150 -0.050 0.096 0.448 277 I N -1.993 118.371 120.570 -0.345 0.000 2.142 277 I HA -0.550 nan 4.170 nan 0.000 0.240 277 I C 1.857 177.608 176.117 -0.610 0.000 1.078 277 I CA 3.949 64.969 61.300 -0.467 0.000 1.343 277 I CB -0.399 37.383 38.000 -0.364 0.000 1.046 277 I HN 0.004 8.054 8.210 -0.268 0.000 0.405 278 N N -1.046 117.443 118.700 -0.352 0.000 2.104 278 N HA -0.229 nan 4.740 nan 0.000 0.190 278 N C 2.264 177.726 175.510 -0.080 0.000 1.024 278 N CA 2.852 55.781 53.050 -0.201 0.000 0.853 278 N CB -0.009 38.428 38.487 -0.084 0.000 1.008 278 N HN -0.569 7.656 8.380 -0.258 0.000 0.424 279 M N -2.045 117.459 119.600 -0.161 0.000 2.476 279 M HA -0.211 nan 4.480 nan 0.000 0.262 279 M C -0.480 175.826 176.300 0.010 0.000 1.079 279 M CA 2.471 57.703 55.300 -0.114 0.000 1.104 279 M CB 0.223 32.545 32.600 -0.463 0.000 1.409 279 M HN 0.388 8.430 8.290 -0.233 0.108 0.467 280 H N -6.946 112.056 119.070 -0.113 0.000 2.936 280 H HA -0.386 nan 4.556 nan 0.000 0.276 280 H C -1.539 173.856 175.328 0.112 0.000 1.216 280 H CA 1.339 57.406 56.048 0.032 0.000 1.132 280 H CB -3.088 26.758 29.762 0.140 0.000 1.303 280 H HN -0.240 7.525 8.280 -0.437 0.252 0.370 281 Y N -6.614 113.726 120.300 0.067 0.000 2.670 281 Y HA 0.849 nan 4.550 nan 0.000 0.334 281 Y C -2.531 173.393 175.900 0.041 0.000 1.185 281 Y CA -2.275 55.863 58.100 0.063 0.000 1.053 281 Y CB 3.167 41.676 38.460 0.082 0.000 1.298 281 Y HN -0.457 7.585 8.280 -0.398 0.000 0.459 282 I N -4.181 116.596 120.570 0.345 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.499 174.811 176.117 0.321 0.000 1.078 282 I CA -1.722 59.750 61.300 0.286 0.000 1.048 282 I CB 3.832 41.861 38.000 0.048 0.000 1.239 282 I HN 0.159 8.570 8.210 0.335 0.000 0.421 283 V N -1.780 118.343 119.914 0.348 0.000 2.348 283 V HA 0.425 nan 4.120 nan 0.000 0.270 283 V C -0.137 176.074 176.094 0.196 0.000 1.037 283 V CA -2.480 59.932 62.300 0.187 0.000 0.872 283 V CB -0.855 30.992 31.823 0.040 0.000 1.002 283 V HN -0.211 8.269 8.190 0.484 0.000 0.464 284 D N 7.841 128.317 120.400 0.126 0.000 2.398 284 D HA 0.172 nan 4.640 nan 0.000 0.247 284 D C 1.339 177.684 176.300 0.075 0.000 1.227 284 D CA -0.895 53.172 54.000 0.112 0.000 0.980 284 D CB 0.945 41.788 40.800 0.071 0.000 1.106 284 D HN -0.450 7.980 8.370 0.100 0.000 0.493 285 K N -0.291 120.151 120.400 0.070 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.074 176.688 176.600 0.024 0.000 1.040 285 K CA 2.353 58.668 56.287 0.046 0.000 0.950 285 K CB -0.736 31.794 32.500 0.050 0.000 0.781 285 K HN 0.545 8.843 8.250 0.080 0.000 0.486 286 D N -5.471 114.939 120.400 0.018 0.000 2.379 286 D HA -0.007 nan 4.640 nan 0.000 0.208 286 D C -0.158 176.138 176.300 -0.007 0.000 1.065 286 D CA -0.676 53.327 54.000 0.005 0.000 0.848 286 D CB -0.342 40.461 40.800 0.006 0.000 0.949 286 D HN -0.530 7.781 8.370 0.026 0.075 0.509 287 N N -3.570 115.124 118.700 -0.011 0.000 2.994 287 N HA -0.415 nan 4.740 nan 0.000 0.221 287 N C -1.159 174.335 175.510 -0.028 0.000 0.900 287 N CA 1.521 54.552 53.050 -0.031 0.000 1.008 287 N CB -1.578 36.883 38.487 -0.042 0.000 1.053 287 N HN 0.434 8.698 8.380 0.001 0.117 0.580 288 N N 1.899 120.590 118.700 -0.015 0.000 2.488 288 N HA 0.040 nan 4.740 nan 0.000 0.274 288 N C -0.946 174.553 175.510 -0.019 0.000 1.111 288 N CA 0.438 53.472 53.050 -0.027 0.000 0.974 288 N CB 1.038 39.514 38.487 -0.019 0.000 1.089 288 N HN -0.458 8.181 8.380 -0.003 -0.261 0.465 289 K N 2.594 122.950 120.400 -0.074 0.000 2.292 289 K HA 0.197 nan 4.320 nan 0.000 0.290 289 K C -0.244 176.343 176.600 -0.022 0.000 1.083 289 K CA -0.271 55.959 56.287 -0.095 0.000 0.918 289 K CB -0.530 31.722 32.500 -0.414 0.000 1.089 289 K HN 0.170 8.358 8.250 -0.104 0.000 0.473 290 I N 0.819 121.424 120.570 0.059 0.000 2.488 290 I HA 0.547 nan 4.170 nan 0.000 0.299 290 I C -2.046 174.147 176.117 0.127 0.000 0.984 290 I CA -3.339 58.002 61.300 0.067 0.000 1.250 290 I CB 0.991 39.023 38.000 0.053 0.000 1.389 290 I HN 0.296 8.560 8.210 0.090 0.000 0.488 291 P HA 0.096 nan 4.420 nan 0.000 0.271 291 P C -0.843 176.586 177.300 0.215 0.000 1.216 291 P CA -0.188 63.026 63.100 0.190 0.000 0.771 291 P CB 0.113 31.910 31.700 0.161 0.000 0.864 292 L N 5.403 126.777 121.223 0.252 0.000 2.384 292 L HA -0.080 nan 4.340 nan 0.000 0.258 292 L C -0.598 176.554 176.870 0.469 0.000 1.266 292 L CA -0.640 54.373 54.840 0.289 0.000 1.162 292 L CB -1.206 40.908 42.059 0.092 0.000 1.375 292 L HN 0.264 8.575 8.230 0.284 0.089 0.420 293 D N 3.642 124.247 120.400 0.341 0.000 2.384 293 D HA -0.018 nan 4.640 nan 0.000 0.244 293 D C 0.777 177.144 176.300 0.113 0.000 1.251 293 D CA -0.550 53.579 54.000 0.215 0.000 0.961 293 D CB 2.323 43.233 40.800 0.184 0.000 1.116 293 D HN -0.247 8.248 8.370 0.292 0.050 0.484 294 I N -1.361 119.054 120.570 -0.259 0.000 2.333 294 I HA -0.273 nan 4.170 nan 0.000 0.246 294 I C 0.837 176.740 176.117 -0.356 0.000 1.106 294 I CA 2.318 63.175 61.300 -0.738 0.000 1.411 294 I CB 0.356 37.892 38.000 -0.774 0.000 1.082 294 I HN 0.155 8.257 8.210 -0.180 0.000 0.420 295 E N -1.886 118.145 120.200 -0.283 0.000 2.004 295 E HA -0.213 nan 4.350 nan 0.000 0.193 295 E C 2.301 178.739 176.600 -0.271 0.000 0.985 295 E CA 2.381 58.571 56.400 -0.351 0.000 0.832 295 E CB 0.409 29.731 29.700 -0.630 0.000 0.787 295 E HN -0.641 7.887 8.360 -0.256 -0.322 0.466 296 H N -0.444 118.651 119.070 0.042 0.000 2.423 296 H HA -0.090 nan 4.556 nan 0.000 0.297 296 H C 2.506 177.900 175.328 0.110 0.000 1.075 296 H CA 2.815 58.902 56.048 0.065 0.000 1.342 296 H CB -0.319 29.476 29.762 0.055 0.000 1.395 296 H HN -0.105 8.325 8.280 -0.368 -0.371 0.530 297 G N -1.632 107.314 108.800 0.244 0.000 2.550 297 G HA2 -0.402 nan 3.960 nan 0.000 0.222 297 G HA3 -0.402 nan 3.960 nan 0.000 0.222 297 G C 1.210 176.274 174.900 0.273 0.000 1.113 297 G CA 2.581 47.863 45.100 0.304 0.000 0.748 297 G HN 0.341 8.714 8.290 0.204 0.039 0.585 298 T N 2.128 116.839 114.554 0.261 0.000 3.035 298 T HA -0.073 nan 4.350 nan 0.000 0.259 298 T C 1.757 176.578 174.700 0.201 0.000 1.078 298 T CA 3.739 65.990 62.100 0.252 0.000 1.132 298 T CB -0.302 68.692 68.868 0.210 0.000 0.900 298 T HN -0.726 7.604 8.240 0.214 0.039 0.480 299 D N 2.867 123.360 120.400 0.156 0.000 2.123 299 D HA -0.092 nan 4.640 nan 0.000 0.200 299 D C 1.394 177.767 176.300 0.120 0.000 0.976 299 D CA 2.913 56.992 54.000 0.131 0.000 0.831 299 D CB -0.005 40.865 40.800 0.116 0.000 0.974 299 D HN -0.133 8.328 8.370 0.151 0.000 0.469 300 I N -4.156 116.484 120.570 0.117 0.000 2.928 300 I HA -0.070 nan 4.170 nan 0.000 0.266 300 I C 1.343 177.467 176.117 0.013 0.000 1.234 300 I CA 2.540 63.882 61.300 0.070 0.000 1.483 300 I CB 0.048 38.092 38.000 0.074 0.000 1.097 300 I HN -0.417 7.880 8.210 0.144 0.000 0.455 301 L N 0.643 121.885 121.223 0.033 0.000 2.102 301 L HA 0.000 nan 4.340 nan 0.000 0.202 301 L C 1.416 178.326 176.870 0.066 0.000 1.076 301 L CA 2.394 57.207 54.840 -0.044 0.000 0.761 301 L CB 0.250 42.276 42.059 -0.055 0.000 0.921 301 L HN 0.135 8.242 8.230 0.098 0.183 0.444 302 G N -2.391 106.559 108.800 0.251 0.000 2.408 302 G HA2 -0.430 nan 3.960 nan 0.000 0.217 302 G HA3 -0.430 nan 3.960 nan 0.000 0.217 302 G C 0.836 175.865 174.900 0.216 0.000 1.150 302 G CA 2.561 47.934 45.100 0.454 0.000 0.776 302 G HN 0.082 8.407 8.290 0.240 0.109 0.542 303 D N 0.723 121.179 120.400 0.093 0.000 2.097 303 D HA -0.317 nan 4.640 nan 0.000 0.195 303 D C 2.302 178.588 176.300 -0.023 0.000 0.989 303 D CA 2.857 56.856 54.000 -0.002 0.000 0.827 303 D CB -0.756 40.059 40.800 0.024 0.000 0.966 303 D HN -0.247 8.193 8.370 0.116 0.000 0.456 304 I N -0.349 120.213 120.570 -0.014 0.000 2.163 304 I HA -0.426 nan 4.170 nan 0.000 0.243 304 I C 2.107 178.210 176.117 -0.023 0.000 1.085 304 I CA 3.150 64.429 61.300 -0.035 0.000 1.347 304 I CB 0.144 38.053 38.000 -0.151 0.000 1.044 304 I HN -0.818 7.388 8.210 -0.006 0.000 0.408 305 I N -1.520 119.042 120.570 -0.014 0.000 2.493 305 I HA -0.447 nan 4.170 nan 0.000 0.254 305 I C 1.178 177.364 176.117 0.117 0.000 1.160 305 I CA 2.153 63.476 61.300 0.038 0.000 1.445 305 I CB -0.776 37.206 38.000 -0.029 0.000 1.086 305 I HN 0.249 8.448 8.210 -0.020 0.000 0.433 306 E N -0.022 120.172 120.200 -0.009 0.000 2.023 306 E HA -0.300 nan 4.350 nan 0.000 0.196 306 E C -0.374 176.254 176.600 0.047 0.000 1.003 306 E CA 3.484 59.798 56.400 -0.144 0.000 0.809 306 E CB 0.111 29.413 29.700 -0.664 0.000 0.755 306 E HN -0.412 7.893 8.360 -0.058 0.020 0.449 307 S N -4.437 111.255 115.700 -0.014 0.000 2.687 307 S HA 0.342 nan 4.470 nan 0.000 0.283 307 S C -0.284 174.290 174.600 -0.044 0.000 1.170 307 S CA -0.632 57.547 58.200 -0.034 0.000 1.008 307 S CB 1.715 64.906 63.200 -0.015 0.000 1.026 307 S HN -0.497 7.797 8.310 -0.027 0.000 0.541 308 S N 0.125 115.806 115.700 -0.031 0.000 2.758 308 S HA 0.234 nan 4.470 nan 0.000 0.292 308 S C 1.154 175.767 174.600 0.021 0.000 1.131 308 S CA -0.294 57.905 58.200 -0.002 0.000 0.997 308 S CB 2.113 65.316 63.200 0.006 0.000 1.111 308 S HN 0.333 8.526 8.310 -0.029 0.100 0.552 309 D N 3.811 124.229 120.400 0.029 0.000 2.149 309 D HA -0.197 nan 4.640 nan 0.000 0.198 309 D C 0.818 177.134 176.300 0.027 0.000 0.990 309 D CA 3.113 57.127 54.000 0.024 0.000 0.839 309 D CB 0.012 40.812 40.800 0.000 0.000 0.948 309 D HN 0.679 9.068 8.370 0.032 0.000 0.460 310 E N -2.293 117.928 120.200 0.036 0.000 2.501 310 E HA -0.155 nan 4.350 nan 0.000 0.203 310 E C -0.531 176.092 176.600 0.039 0.000 1.072 310 E CA 0.998 57.422 56.400 0.041 0.000 0.885 310 E CB -0.122 29.612 29.700 0.057 0.000 0.813 310 E HN 0.229 8.616 8.360 0.046 0.000 0.556 311 S N -0.426 115.296 115.700 0.037 0.000 2.465 311 S HA -0.147 nan 4.470 nan 0.000 0.307 311 S C 0.030 174.674 174.600 0.073 0.000 1.187 311 S CA -0.296 57.934 58.200 0.049 0.000 1.141 311 S CB -0.184 63.045 63.200 0.048 0.000 1.108 311 S HN -0.421 7.698 8.310 0.033 0.211 0.525 312 K N 4.283 124.727 120.400 0.075 0.000 2.113 312 K HA -0.352 nan 4.320 nan 0.000 0.208 312 K C -0.393 176.297 176.600 0.149 0.000 1.047 312 K CA 2.444 58.786 56.287 0.092 0.000 0.928 312 K CB 0.284 32.831 32.500 0.078 0.000 0.716 312 K HN -0.046 8.216 8.250 0.055 0.021 0.446 313 N N -4.687 114.162 118.700 0.248 0.000 2.352 313 N HA 0.152 nan 4.740 nan 0.000 0.291 313 N C -0.099 175.550 175.510 0.231 0.000 1.040 313 N CA -1.352 51.859 53.050 0.268 0.000 0.864 313 N CB 2.266 40.949 38.487 0.327 0.000 1.440 313 N HN -0.521 8.022 8.380 0.270 0.000 0.483 314 V N -0.802 119.182 119.914 0.117 0.000 2.426 314 V HA 0.079 nan 4.120 nan 0.000 0.242 314 V C 1.239 177.327 176.094 -0.011 0.000 1.036 314 V CA 2.248 64.578 62.300 0.050 0.000 1.044 314 V CB -0.053 31.806 31.823 0.059 0.000 0.688 314 V HN 0.470 8.727 8.190 0.111 0.000 0.462 315 E N 1.123 121.353 120.200 0.051 0.000 2.107 315 E HA -0.357 nan 4.350 nan 0.000 0.191 315 E C 1.861 178.520 176.600 0.098 0.000 0.982 315 E CA 2.713 59.167 56.400 0.090 0.000 0.809 315 E CB -0.324 29.449 29.700 0.123 0.000 0.756 315 E HN -0.299 8.256 8.360 0.080 -0.147 0.459 316 Y N 0.889 121.122 120.300 -0.112 0.000 2.206 316 Y HA -0.302 nan 4.550 nan 0.000 0.292 316 Y C 2.114 177.761 175.900 -0.422 0.000 1.123 316 Y CA 4.101 62.045 58.100 -0.260 0.000 1.142 316 Y CB 0.883 39.077 38.460 -0.444 0.000 1.006 316 Y HN -0.248 8.372 8.280 0.109 -0.275 0.518 317 Y N -3.628 116.570 120.300 -0.168 0.000 2.462 317 Y HA -0.032 nan 4.550 nan 0.000 0.261 317 Y C -0.045 175.428 175.900 -0.712 0.000 1.146 317 Y CA 0.552 58.472 58.100 -0.300 0.000 1.283 317 Y CB 0.495 38.882 38.460 -0.123 0.000 1.090 317 Y HN -0.849 7.336 8.280 -0.158 0.000 0.526 318 G N -1.379 106.786 108.800 -1.060 0.000 2.553 318 G HA2 -0.420 nan 3.960 nan 0.000 0.242 318 G HA3 -0.420 nan 3.960 nan 0.000 0.242 318 G C -2.053 172.516 174.900 -0.551 0.000 1.277 318 G CA 0.089 44.163 45.100 -1.709 0.000 0.910 318 G HN -0.348 7.456 8.290 -0.658 0.091 0.576 319 S N -0.468 115.077 115.700 -0.258 0.000 2.327 319 S HA 0.350 nan 4.470 nan 0.000 0.203 319 S C 0.125 174.856 174.600 0.218 0.000 1.326 319 S CA -0.878 57.339 58.200 0.027 0.000 1.248 319 S CB -0.096 63.050 63.200 -0.089 0.000 1.199 319 S HN 0.108 8.230 8.310 -0.313 0.000 0.422 320 L N 5.891 127.265 121.223 0.253 0.000 2.081 320 L HA -0.389 nan 4.340 nan 0.000 0.212 320 L C 0.196 177.452 176.870 0.642 0.000 1.080 320 L CA 3.214 58.380 54.840 0.543 0.000 0.754 320 L CB -0.217 42.139 42.059 0.494 0.000 0.893 320 L HN -0.244 8.066 8.230 0.134 0.000 0.433 321 H N -0.393 118.940 119.070 0.438 0.000 2.253 321 H HA -0.440 nan 4.556 nan 0.000 0.296 321 H C 2.042 177.458 175.328 0.147 0.000 1.074 321 H CA 4.512 60.845 56.048 0.476 0.000 1.263 321 H CB -0.216 29.783 29.762 0.395 0.000 1.363 321 H HN -0.100 8.442 8.280 0.470 0.020 0.489 322 N N -0.254 118.186 118.700 -0.433 0.000 2.084 322 N HA -0.338 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.273 175.510 -0.688 0.000 1.030 322 N CA 2.660 55.217 53.050 -0.821 0.000 0.849 322 N CB -0.639 37.590 38.487 -0.429 0.000 1.012 322 N HN -0.412 7.968 8.380 0.000 0.000 0.423 323 W N -0.914 120.278 121.300 -0.179 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.891 178.286 176.519 -0.207 0.000 1.213 323 W CA 3.046 60.361 57.345 -0.049 0.000 1.274 323 W CB -0.093 29.502 29.460 0.225 0.000 1.148 323 W HN 0.350 8.498 8.180 -0.055 0.000 0.498 324 G N -3.374 105.307 108.800 -0.198 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.145 175.503 174.900 -0.905 0.000 1.136 324 G CA 2.159 46.689 45.100 -0.950 0.000 0.759 324 G HN 0.195 8.501 8.290 0.027 0.000 0.562 325 H N 1.615 120.122 119.070 -0.939 0.000 2.353 325 H HA -0.299 nan 4.556 nan 0.000 0.300 325 H C 2.397 177.498 175.328 -0.379 0.000 1.090 325 H CA 3.601 59.196 56.048 -0.755 0.000 1.327 325 H CB 0.242 29.270 29.762 -1.224 0.000 1.383 325 H HN -0.519 7.200 8.280 -0.716 0.131 0.508 326 V N -1.448 118.403 119.914 -0.104 0.000 2.220 326 V HA -0.490 nan 4.120 nan 0.000 0.246 326 V C 2.058 178.191 176.094 0.065 0.000 1.049 326 V CA 3.805 66.172 62.300 0.112 0.000 1.003 326 V CB -0.861 31.108 31.823 0.243 0.000 0.634 326 V HN -0.406 7.574 8.190 -0.201 0.090 0.444 327 M N -2.602 117.030 119.600 0.053 0.000 2.144 327 M HA -0.422 nan 4.480 nan 0.000 0.260 327 M C 2.272 178.565 176.300 -0.012 0.000 1.067 327 M CA 3.512 58.844 55.300 0.054 0.000 1.095 327 M CB -0.293 32.361 32.600 0.089 0.000 1.365 327 M HN -0.778 7.565 8.290 0.089 0.000 0.406 328 M N -3.039 116.464 119.600 -0.161 0.000 2.562 328 M HA -0.123 nan 4.480 nan 0.000 0.257 328 M C 0.742 176.990 176.300 -0.087 0.000 1.099 328 M CA 2.393 57.577 55.300 -0.194 0.000 1.099 328 M CB 0.277 32.632 32.600 -0.407 0.000 1.427 328 M HN -0.032 8.102 8.290 -0.260 0.000 0.489 329 A N -1.552 121.249 122.820 -0.031 0.000 2.055 329 A HA 0.119 nan 4.320 nan 0.000 0.205 329 A C 0.230 177.858 177.584 0.072 0.000 1.235 329 A CA 1.899 53.955 52.037 0.032 0.000 0.822 329 A CB 0.829 19.875 19.000 0.075 0.000 0.903 329 A HN 0.117 8.066 8.150 -0.029 0.183 0.473 330 N N -1.298 117.449 118.700 0.078 0.000 2.346 330 N HA -0.059 nan 4.740 nan 0.000 0.225 330 N C 1.398 176.982 175.510 0.123 0.000 1.144 330 N CA -0.396 52.713 53.050 0.099 0.000 0.837 330 N CB -0.963 37.574 38.487 0.083 0.000 1.069 330 N HN 0.286 8.707 8.380 0.070 0.000 0.487 331 I N -1.482 119.165 120.570 0.127 0.000 2.850 331 I HA -0.237 nan 4.170 nan 0.000 0.266 331 I C 0.237 176.515 176.117 0.269 0.000 1.257 331 I CA 1.693 63.109 61.300 0.193 0.000 1.465 331 I CB -0.132 37.968 38.000 0.166 0.000 1.091 331 I HN -0.176 7.966 8.210 0.096 0.126 0.467 332 T N -0.546 114.132 114.554 0.207 0.000 3.009 332 T HA -0.063 nan 4.350 nan 0.000 0.258 332 T C -1.184 173.650 174.700 0.223 0.000 1.063 332 T CA 1.309 63.556 62.100 0.246 0.000 1.139 332 T CB 0.767 69.735 68.868 0.168 0.000 0.890 332 T HN 0.012 8.295 8.240 0.161 0.053 0.471 333 D N -1.564 118.948 120.400 0.187 0.000 3.117 333 D HA 0.422 nan 4.640 nan 0.000 0.241 333 D C -2.133 174.274 176.300 0.180 0.000 1.385 333 D CA -1.443 52.684 54.000 0.212 0.000 0.855 333 D CB 0.736 41.757 40.800 0.368 0.000 1.498 333 D HN -0.311 7.972 8.370 0.156 0.180 0.584 334 P HA -0.140 nan 4.420 nan 0.000 0.215 334 P C 0.863 178.232 177.300 0.115 0.000 1.157 334 P CA 1.784 64.951 63.100 0.111 0.000 0.856 334 P CB 0.128 31.892 31.700 0.107 0.000 0.786 335 D N -1.959 118.474 120.400 0.055 0.000 2.158 335 D HA -0.265 nan 4.640 nan 0.000 0.197 335 D C 0.544 176.875 176.300 0.051 0.000 0.995 335 D CA 2.074 56.082 54.000 0.015 0.000 0.846 335 D CB -0.161 40.590 40.800 -0.081 0.000 0.941 335 D HN 0.170 8.552 8.370 0.020 0.000 0.456 336 H N -4.001 115.028 119.070 -0.069 0.000 3.395 336 H HA -0.349 nan 4.556 nan 0.000 0.222 336 H C 0.603 175.895 175.328 -0.060 0.000 1.099 336 H CA 1.125 57.154 56.048 -0.032 0.000 1.182 336 H CB -1.050 28.714 29.762 0.002 0.000 1.188 336 H HN -0.307 8.196 8.280 0.073 -0.179 0.317 337 R N -1.484 118.865 120.500 -0.253 0.000 2.153 337 R HA -0.349 nan 4.340 nan 0.000 0.252 337 R C 0.441 176.605 176.300 -0.227 0.000 1.158 337 R CA 2.861 58.782 56.100 -0.298 0.000 0.975 337 R CB -1.082 28.948 30.300 -0.450 0.000 0.871 337 R HN -0.331 7.847 8.270 -0.222 -0.041 0.450 338 F N -4.003 115.829 119.950 -0.196 0.000 2.416 338 F HA 0.024 nan 4.527 nan 0.000 0.296 338 F C -0.319 175.344 175.800 -0.229 0.000 1.099 338 F CA -0.700 57.202 58.000 -0.162 0.000 1.427 338 F CB 0.072 39.018 39.000 -0.090 0.000 1.079 338 F HN -0.497 7.865 8.300 -0.282 -0.231 0.536 339 Q N -4.680 114.925 119.800 -0.325 0.000 2.489 339 Q HA -0.347 nan 4.340 nan 0.000 0.259 339 Q C -0.673 175.325 176.000 -0.004 0.000 0.934 339 Q CA 0.810 56.420 55.803 -0.320 0.000 1.131 339 Q CB -2.100 26.562 28.738 -0.126 0.000 1.472 339 Q HN -0.454 7.505 8.270 -0.659 -0.085 0.560 340 E N -1.117 119.140 120.200 0.094 0.000 2.376 340 E HA -0.094 nan 4.350 nan 0.000 0.266 340 E C -0.507 176.199 176.600 0.177 0.000 1.009 340 E CA 0.112 56.586 56.400 0.124 0.000 0.902 340 E CB 0.665 30.440 29.700 0.124 0.000 0.972 340 E HN -0.469 7.908 8.360 0.093 0.039 0.439 341 N N 6.300 125.033 118.700 0.055 0.000 2.434 341 N HA 0.135 nan 4.740 nan 0.000 0.268 341 N C -1.991 173.529 175.510 0.017 0.000 1.256 341 N CA -1.324 51.710 53.050 -0.027 0.000 0.914 341 N CB -0.797 37.563 38.487 -0.211 0.000 1.088 341 N HN 0.254 8.643 8.380 0.016 0.000 0.478 342 P HA -0.090 nan 4.420 nan 0.000 0.271 342 P C -0.190 177.230 177.300 0.199 0.000 1.238 342 P CA -0.234 62.931 63.100 0.108 0.000 0.794 342 P CB 0.706 32.447 31.700 0.069 0.000 0.959 343 G N -1.210 107.686 108.800 0.160 0.000 2.432 343 G HA2 -0.040 nan 3.960 nan 0.000 0.239 343 G HA3 -0.040 nan 3.960 nan 0.000 0.239 343 G C 1.335 176.334 174.900 0.165 0.000 1.291 343 G CA -0.693 44.499 45.100 0.153 0.000 0.863 343 G HN 0.025 8.388 8.290 0.121 0.000 0.560 344 V N -1.794 118.170 119.914 0.083 0.000 3.099 344 V HA -0.452 nan 4.120 nan 0.000 0.269 344 V C 1.104 177.208 176.094 0.018 0.000 1.150 344 V CA 1.944 64.210 62.300 -0.056 0.000 1.165 344 V CB -0.760 30.924 31.823 -0.231 0.000 0.756 344 V HN 0.550 8.781 8.190 0.069 0.000 0.527 345 M N -0.430 119.221 119.600 0.085 0.000 2.562 345 M HA -0.117 nan 4.480 nan 0.000 0.257 345 M C 1.562 178.110 176.300 0.413 0.000 1.099 345 M CA 1.156 56.566 55.300 0.184 0.000 1.099 345 M CB -0.933 31.677 32.600 0.016 0.000 1.427 345 M HN -0.333 7.901 8.290 0.075 0.101 0.489 346 S N -0.926 114.962 115.700 0.312 0.000 2.481 346 S HA -0.168 nan 4.470 nan 0.000 0.231 346 S C -0.403 174.279 174.600 0.137 0.000 0.996 346 S CA 2.508 60.896 58.200 0.313 0.000 0.942 346 S CB -0.154 63.121 63.200 0.124 0.000 0.768 346 S HN -0.328 8.057 8.310 0.218 0.055 0.520 347 D N -1.526 118.996 120.400 0.204 0.000 2.490 347 D HA 0.186 nan 4.640 nan 0.000 0.232 347 D C -0.465 176.019 176.300 0.307 0.000 1.053 347 D CA -0.724 53.381 54.000 0.176 0.000 0.914 347 D CB 2.649 43.562 40.800 0.190 0.000 1.431 347 D HN -0.977 7.480 8.370 0.238 0.056 0.483 348 T N 1.098 115.893 114.554 0.403 0.000 3.014 348 T HA 0.120 nan 4.350 nan 0.000 0.263 348 T C 1.579 176.592 174.700 0.521 0.000 1.078 348 T CA 2.672 65.116 62.100 0.573 0.000 1.135 348 T CB -0.398 68.797 68.868 0.545 0.000 0.895 348 T HN 0.534 9.017 8.240 0.405 0.000 0.480 349 S N 0.993 116.938 115.700 0.408 0.000 2.406 349 S HA -0.134 nan 4.470 nan 0.000 0.228 349 S C 1.291 175.732 174.600 -0.266 0.000 1.020 349 S CA 3.135 61.390 58.200 0.092 0.000 0.965 349 S CB -0.069 63.121 63.200 -0.016 0.000 0.798 349 S HN -0.365 8.674 8.310 0.521 -0.417 0.488 350 T N -1.589 112.828 114.554 -0.229 0.000 2.939 350 T HA 0.221 nan 4.350 nan 0.000 0.254 350 T C 2.211 176.686 174.700 -0.376 0.000 1.041 350 T CA 2.339 64.220 62.100 -0.366 0.000 1.142 350 T CB 0.040 68.670 68.868 -0.398 0.000 0.874 350 T HN -0.366 8.089 8.240 -0.078 -0.262 0.452 351 S N 4.111 119.636 115.700 -0.292 0.000 2.570 351 S HA -0.477 nan 4.470 nan 0.000 0.300 351 S C 1.463 175.447 174.600 -1.028 0.000 1.224 351 S CA 3.165 61.090 58.200 -0.458 0.000 1.103 351 S CB -1.271 61.829 63.200 -0.166 0.000 1.009 351 S HN -0.018 8.218 8.310 -0.124 0.000 0.458 352 L N -0.099 120.462 121.223 -1.102 0.000 2.567 352 L HA 0.105 nan 4.340 nan 0.000 0.225 352 L C 1.361 177.872 176.870 -0.598 0.000 1.119 352 L CA 1.136 55.231 54.840 -1.241 0.000 0.871 352 L CB -0.237 41.245 42.059 -0.961 0.000 1.036 352 L HN -0.654 7.046 8.230 -0.803 0.048 0.459 353 R N -0.349 119.879 120.500 -0.454 0.000 2.062 353 R HA -0.240 nan 4.340 nan 0.000 0.229 353 R C 0.043 175.993 176.300 -0.582 0.000 1.128 353 R CA 2.399 58.314 56.100 -0.308 0.000 0.960 353 R CB -0.505 29.741 30.300 -0.089 0.000 0.855 353 R HN -0.734 7.201 8.270 -0.481 0.047 0.432 354 D N 1.118 121.144 120.400 -0.625 0.000 2.382 354 D HA 0.206 nan 4.640 nan 0.000 0.259 354 D C -0.764 175.317 176.300 -0.366 0.000 1.224 354 D CA -2.561 51.008 54.000 -0.718 0.000 0.894 354 D CB 0.337 40.975 40.800 -0.270 0.000 1.127 354 D HN -0.554 7.549 8.370 -0.445 0.000 0.487 355 P HA -0.186 nan 4.420 nan 0.000 0.217 355 P C 0.782 178.150 177.300 0.114 0.000 1.148 355 P CA 2.203 65.312 63.100 0.016 0.000 0.828 355 P CB -0.013 31.698 31.700 0.018 0.000 0.783 356 I N -5.302 115.277 120.570 0.016 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.007 177.111 176.117 -0.023 0.000 1.184 356 I CA 2.326 63.633 61.300 0.013 0.000 1.451 356 I CB -0.745 37.224 38.000 -0.051 0.000 1.089 356 I HN -0.859 7.304 8.210 -0.042 0.022 0.441 357 F N 2.232 121.997 119.950 -0.308 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.644 176.066 175.800 -0.630 0.000 1.096 357 F CA 4.573 62.226 58.000 -0.579 0.000 1.227 357 F CB 0.039 38.498 39.000 -0.903 0.000 0.983 357 F HN -0.366 7.787 8.300 -0.031 0.129 0.482 358 Y N -5.268 114.923 120.300 -0.183 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.891 177.804 175.900 0.022 0.000 1.123 358 Y CA 3.040 61.040 58.100 -0.166 0.000 1.227 358 Y CB -0.627 37.739 38.460 -0.156 0.000 1.012 358 Y HN -0.690 7.503 8.280 -0.120 0.015 0.552 359 R N 0.836 121.450 120.500 0.189 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.178 178.622 176.300 0.242 0.000 1.134 359 R CA 3.643 59.873 56.100 0.216 0.000 0.952 359 R CB -0.388 30.036 30.300 0.206 0.000 0.850 359 R HN -0.344 7.861 8.270 0.146 0.153 0.433 360 W N -1.573 119.754 121.300 0.046 0.000 2.425 360 W HA -0.203 nan 4.660 nan 0.000 0.277 360 W C 0.766 177.437 176.519 0.253 0.000 1.231 360 W CA 3.630 61.056 57.345 0.135 0.000 1.248 360 W CB 0.218 29.650 29.460 -0.047 0.000 1.117 360 W HN -0.266 8.051 8.180 0.228 0.000 0.568 361 H N -1.744 117.316 119.070 -0.017 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.891 178.235 175.328 0.027 0.000 0.984 361 H CA 2.862 58.882 56.048 -0.047 0.000 1.264 361 H CB 0.101 29.739 29.762 -0.206 0.000 1.432 361 H HN -0.582 7.682 8.280 0.293 0.191 0.549 362 R N -0.015 120.603 120.500 0.196 0.000 2.119 362 R HA -0.187 nan 4.340 nan 0.000 0.222 362 R C 1.689 178.060 176.300 0.118 0.000 1.088 362 R CA 1.856 58.054 56.100 0.164 0.000 0.984 362 R CB -0.883 29.523 30.300 0.177 0.000 0.884 362 R HN 0.265 8.666 8.270 0.219 0.000 0.447 363 F N 1.889 121.760 119.950 -0.131 0.000 2.051 363 F HA -0.298 nan 4.527 nan 0.000 0.296 363 F C 1.584 177.201 175.800 -0.306 0.000 1.122 363 F CA 2.737 60.564 58.000 -0.288 0.000 1.201 363 F CB -0.193 38.463 39.000 -0.574 0.000 0.978 363 F HN -0.793 7.462 8.300 0.146 0.132 0.472 364 I N -4.745 115.518 120.570 -0.512 0.000 2.208 364 I HA -0.613 nan 4.170 nan 0.000 0.245 364 I C 1.320 177.361 176.117 -0.127 0.000 1.097 364 I CA 3.689 64.720 61.300 -0.450 0.000 1.363 364 I CB -0.737 37.149 38.000 -0.190 0.000 1.051 364 I HN -0.076 7.859 8.210 -0.459 0.000 0.413 365 D N 0.202 120.661 120.400 0.099 0.000 2.149 365 D HA -0.380 nan 4.640 nan 0.000 0.198 365 D C 2.062 178.435 176.300 0.121 0.000 0.990 365 D CA 3.708 57.880 54.000 0.286 0.000 0.839 365 D CB -0.145 40.802 40.800 0.245 0.000 0.948 365 D HN -0.428 7.969 8.370 0.045 0.000 0.460 366 N N -0.949 117.741 118.700 -0.016 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.013 175.510 -0.156 0.000 1.019 366 N CA 3.180 56.201 53.050 -0.047 0.000 0.856 366 N CB -0.118 38.373 38.487 0.006 0.000 0.993 366 N HN 0.058 8.181 8.380 -0.048 0.229 0.426 367 I N 0.349 120.720 120.570 -0.332 0.000 2.142 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.636 177.536 176.117 -0.362 0.000 1.078 367 I CA 4.224 65.272 61.300 -0.421 0.000 1.343 367 I CB -0.171 37.446 38.000 -0.639 0.000 1.046 367 I HN -0.570 7.281 8.210 -0.416 0.109 0.405 368 F N -1.234 118.543 119.950 -0.289 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.295 177.842 175.800 -0.422 0.000 1.089 368 F CA 4.069 61.812 58.000 -0.430 0.000 1.282 368 F CB -0.985 37.566 39.000 -0.748 0.000 1.010 368 F HN -0.362 7.736 8.300 -0.336 0.000 0.485 369 Q N -2.249 117.498 119.800 -0.088 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.879 178.801 176.000 -0.129 0.000 0.977 369 Q CA 3.193 58.950 55.803 -0.077 0.000 0.850 369 Q CB -0.828 27.910 28.738 -0.000 0.000 0.901 369 Q HN 0.632 8.768 8.270 -0.021 0.122 0.429 370 E N -0.025 120.088 120.200 -0.145 0.000 2.110 370 E HA -0.390 nan 4.350 nan 0.000 0.193 370 E C 2.319 178.785 176.600 -0.223 0.000 0.988 370 E CA 3.022 59.324 56.400 -0.164 0.000 0.804 370 E CB -0.287 29.316 29.700 -0.162 0.000 0.745 370 E HN -0.176 8.005 8.360 -0.146 0.092 0.458 371 H N 0.532 119.371 119.070 -0.386 0.000 2.357 371 H HA -0.168 nan 4.556 nan 0.000 0.301 371 H C 2.432 177.182 175.328 -0.963 0.000 1.082 371 H CA 2.724 58.428 56.048 -0.572 0.000 1.342 371 H CB 0.065 29.565 29.762 -0.437 0.000 1.389 371 H HN -0.524 7.553 8.280 -0.166 0.104 0.511 372 K N -1.989 117.997 120.400 -0.691 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.523 178.897 176.600 -0.377 0.000 1.049 372 K CA 2.069 58.051 56.287 -0.509 0.000 0.933 372 K CB -0.531 31.879 32.500 -0.150 0.000 0.717 372 K HN -0.072 7.935 8.250 -0.406 0.000 0.442 373 K N -1.714 118.511 120.400 -0.291 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.322 178.790 176.600 -0.220 0.000 1.049 373 K CA 2.435 58.604 56.287 -0.196 0.000 0.933 373 K CB 0.203 32.619 32.500 -0.140 0.000 0.717 373 K HN -0.105 7.792 8.250 -0.275 0.188 0.442 374 S N -2.144 113.386 115.700 -0.282 0.000 2.453 374 S HA -0.141 nan 4.470 nan 0.000 0.231 374 S C 0.597 175.085 174.600 -0.187 0.000 1.005 374 S CA 1.979 60.074 58.200 -0.175 0.000 0.949 374 S CB 0.403 63.615 63.200 0.019 0.000 0.774 374 S HN -0.369 7.733 8.310 -0.346 0.000 0.510 375 F N 2.755 122.577 119.950 -0.213 0.000 2.496 375 F HA -0.021 nan 4.527 nan 0.000 0.344 375 F C -0.022 175.576 175.800 -0.338 0.000 1.155 375 F CA -0.132 57.718 58.000 -0.250 0.000 1.302 375 F CB -0.070 38.811 39.000 -0.198 0.000 1.159 375 F HN -0.820 7.002 8.300 -0.669 0.076 0.595 376 H N 1.152 120.263 119.070 0.070 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.435 173.794 175.328 -0.166 0.000 1.128 376 H CA -0.993 55.034 56.048 -0.036 0.000 1.342 376 H CB -0.066 29.679 29.762 -0.029 0.000 1.470 376 H HN 0.239 8.629 8.280 0.184 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.226 175.971 177.300 -0.171 0.000 1.228 377 P CA 0.677 63.711 63.100 -0.110 0.000 0.797 377 P CB 0.425 32.147 31.700 0.037 0.000 0.914 378 Y N -0.596 119.786 120.300 0.137 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.300 176.229 175.900 0.048 0.000 1.035 378 Y CA 0.357 58.511 58.100 0.089 0.000 1.165 378 Y CB 0.344 38.832 38.460 0.046 0.000 1.181 378 Y HN 0.240 8.616 8.280 0.160 0.000 0.494 379 T N 4.907 119.592 114.554 0.218 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.090 175.826 174.700 0.060 0.000 1.071 379 T CA -0.034 62.132 62.100 0.109 0.000 1.128 379 T CB 0.540 69.458 68.868 0.083 0.000 0.984 379 T HN 0.321 8.709 8.240 0.248 0.000 0.549 380 K N 3.898 124.306 120.400 0.012 0.000 2.103 380 K HA -0.465 nan 4.320 nan 0.000 0.207 380 K C 2.145 178.731 176.600 -0.024 0.000 1.048 380 K CA 3.878 60.142 56.287 -0.037 0.000 0.930 380 K CB -0.111 32.373 32.500 -0.027 0.000 0.716 380 K HN 0.441 8.705 8.250 0.025 0.000 0.444 381 E N -0.221 119.982 120.200 0.005 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.254 178.865 176.600 0.018 0.000 1.025 381 E CA 3.255 59.663 56.400 0.013 0.000 0.835 381 E CB -0.501 29.212 29.700 0.021 0.000 0.764 381 E HN 0.095 8.460 8.360 0.013 0.002 0.457 382 E N -1.399 118.824 120.200 0.039 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.114 177.718 176.600 0.006 0.000 0.994 382 E CA 2.257 58.688 56.400 0.051 0.000 0.801 382 E CB -0.747 29.043 29.700 0.149 0.000 0.743 382 E HN 0.135 8.528 8.360 0.056 0.000 0.453 383 L N -4.855 116.331 121.223 -0.062 0.000 2.465 383 L HA -0.114 nan 4.340 nan 0.000 0.224 383 L C 0.006 176.820 176.870 -0.094 0.000 1.145 383 L CA 0.870 55.604 54.840 -0.176 0.000 0.834 383 L CB 0.249 42.105 42.059 -0.339 0.000 0.944 383 L HN -0.388 7.726 8.230 -0.039 0.092 0.451 384 S N -1.083 114.605 115.700 -0.019 0.000 2.420 384 S HA 0.092 nan 4.470 nan 0.000 0.313 384 S C -1.437 173.244 174.600 0.136 0.000 1.079 384 S CA -0.255 57.968 58.200 0.038 0.000 1.104 384 S CB 0.467 63.675 63.200 0.013 0.000 0.969 384 S HN -0.491 7.624 8.310 -0.013 0.186 0.471 385 F N 8.628 128.561 119.950 -0.028 0.000 2.487 385 F HA 0.184 nan 4.527 nan 0.000 0.364 385 F C -1.999 173.796 175.800 -0.008 0.000 1.126 385 F CA -3.335 54.658 58.000 -0.011 0.000 1.135 385 F CB 0.291 39.290 39.000 -0.002 0.000 1.127 385 F HN 0.237 8.976 8.300 0.240 -0.295 0.559 386 P HA 0.027 nan 4.420 nan 0.000 0.267 386 P C -0.424 176.747 177.300 -0.216 0.000 1.205 386 P CA 0.460 63.513 63.100 -0.078 0.000 0.765 386 P CB 0.126 31.803 31.700 -0.038 0.000 0.828 387 G N 2.188 110.894 108.800 -0.156 0.000 2.336 387 G HA2 -0.368 nan 3.960 nan 0.000 0.233 387 G HA3 -0.368 nan 3.960 nan 0.000 0.233 387 G C -1.041 173.747 174.900 -0.186 0.000 1.053 387 G CA 0.387 45.390 45.100 -0.162 0.000 0.625 387 G HN 0.366 8.596 8.290 -0.100 0.000 0.511 388 V N 2.881 122.619 119.914 -0.294 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.059 174.991 176.094 -0.073 0.000 1.045 388 V CA -0.153 62.016 62.300 -0.219 0.000 0.976 388 V CB -0.209 31.377 31.823 -0.395 0.000 0.993 388 V HN -0.715 7.145 8.190 -0.418 0.079 0.475 389 E N 8.037 128.221 120.200 -0.027 0.000 2.129 389 E HA 0.250 nan 4.350 nan 0.000 0.268 389 E C -0.251 176.371 176.600 0.037 0.000 0.900 389 E CA -1.700 54.706 56.400 0.010 0.000 0.755 389 E CB 2.805 32.506 29.700 0.003 0.000 1.117 389 E HN 0.230 8.441 8.360 -0.034 0.129 0.410 390 V N 9.062 129.013 119.914 0.062 0.000 2.415 390 V HA -0.166 nan 4.120 nan 0.000 0.252 390 V C 0.063 176.194 176.094 0.061 0.000 1.043 390 V CA 1.706 64.052 62.300 0.075 0.000 1.149 390 V CB -1.859 30.024 31.823 0.101 0.000 1.143 390 V HN 0.748 8.979 8.190 0.068 0.000 0.478 391 V N 7.436 127.381 119.914 0.052 0.000 3.305 391 V HA -0.050 nan 4.120 nan 0.000 0.269 391 V C 0.312 176.435 176.094 0.049 0.000 1.157 391 V CA 0.604 62.929 62.300 0.043 0.000 1.157 391 V CB -0.399 31.445 31.823 0.035 0.000 0.772 391 V HN 0.542 8.667 8.190 0.053 0.096 0.498 392 G N -3.390 105.448 108.800 0.063 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.098 171.857 174.900 0.092 0.000 1.367 392 G CA 0.170 45.312 45.100 0.070 0.000 0.951 392 G HN -0.701 7.603 8.290 0.070 0.028 0.615 393 V N -1.981 117.997 119.914 0.107 0.000 3.160 393 V HA 0.780 nan 4.120 nan 0.000 0.310 393 V C -1.425 174.742 176.094 0.122 0.000 1.181 393 V CA -2.239 60.147 62.300 0.144 0.000 1.047 393 V CB 3.543 35.493 31.823 0.212 0.000 1.068 393 V HN 0.200 8.447 8.190 0.095 0.000 0.441 394 S N -1.035 114.741 115.700 0.127 0.000 2.552 394 S HA 0.515 nan 4.470 nan 0.000 0.272 394 S C -2.198 172.454 174.600 0.086 0.000 1.150 394 S CA -0.418 57.839 58.200 0.095 0.000 0.849 394 S CB 4.085 67.323 63.200 0.063 0.000 1.113 394 S HN -0.147 8.250 8.310 0.145 0.000 0.458 395 I N -1.988 118.626 120.570 0.075 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.048 174.103 176.117 0.058 0.000 0.992 395 I CA -2.051 59.289 61.300 0.067 0.000 1.149 395 I CB 1.665 39.760 38.000 0.157 0.000 1.315 395 I HN 0.670 9.267 8.210 0.071 -0.344 0.446 396 N N 7.067 125.796 118.700 0.047 0.000 2.558 396 N HA 0.363 nan 4.740 nan 0.000 0.242 396 N C -0.740 174.810 175.510 0.066 0.000 0.979 396 N CA -0.269 52.805 53.050 0.040 0.000 0.931 396 N CB 0.882 39.382 38.487 0.021 0.000 1.122 396 N HN -0.142 8.250 8.380 0.021 0.000 0.508 397 S N 6.858 122.592 115.700 0.058 0.000 3.320 397 S HA 0.081 nan 4.470 nan 0.000 0.185 397 S C 0.158 174.774 174.600 0.027 0.000 1.028 397 S CA 1.031 59.266 58.200 0.058 0.000 1.641 397 S CB 0.752 63.958 63.200 0.010 0.000 0.630 397 S HN 0.437 8.768 8.310 0.035 0.000 0.555 398 K N 1.034 121.436 120.400 0.004 0.000 2.148 398 K HA -0.125 nan 4.320 nan 0.000 0.204 398 K C -0.599 175.998 176.600 -0.005 0.000 1.050 398 K CA 1.798 58.081 56.287 -0.007 0.000 0.942 398 K CB 0.489 32.975 32.500 -0.023 0.000 0.724 398 K HN -0.241 8.419 8.250 -0.004 -0.412 0.446 399 T N -0.836 113.715 114.554 -0.005 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.259 172.443 174.700 0.004 0.000 1.070 399 T CA -1.896 60.202 62.100 -0.003 0.000 1.010 399 T CB 3.296 72.159 68.868 -0.009 0.000 1.264 399 T HN -0.717 7.494 8.240 -0.007 0.026 0.532 400 A N -0.279 122.546 122.820 0.007 0.000 2.407 400 A HA 0.110 nan 4.320 nan 0.000 0.248 400 A C 0.137 177.728 177.584 0.010 0.000 1.082 400 A CA 0.460 52.505 52.037 0.014 0.000 0.785 400 A CB 0.021 19.031 19.000 0.016 0.000 1.020 400 A HN 0.111 8.265 8.150 0.005 0.000 0.489 401 N N -1.959 116.751 118.700 0.017 0.000 2.678 401 N HA -0.352 nan 4.740 nan 0.000 0.249 401 N C -1.262 174.245 175.510 -0.004 0.000 1.119 401 N CA 1.411 54.470 53.050 0.015 0.000 0.718 401 N CB -1.588 36.915 38.487 0.027 0.000 1.060 401 N HN 0.074 8.470 8.380 0.027 0.000 0.552 402 V N -9.444 110.454 119.914 -0.026 0.000 2.769 402 V HA 0.807 nan 4.120 nan 0.000 0.312 402 V C -1.807 174.223 176.094 -0.107 0.000 1.061 402 V CA -2.820 59.450 62.300 -0.050 0.000 0.931 402 V CB 3.669 35.471 31.823 -0.036 0.000 1.010 402 V HN -0.842 7.268 8.190 -0.021 0.067 0.433 403 I N 2.947 123.414 120.570 -0.171 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.119 173.917 176.117 -0.136 0.000 1.025 403 I CA -2.105 59.059 61.300 -0.228 0.000 1.086 403 I CB 3.493 41.202 38.000 -0.485 0.000 1.268 403 I HN 0.625 8.633 8.210 -0.162 0.105 0.440 404 T N 7.450 121.950 114.554 -0.089 0.000 2.809 404 T HA 0.447 nan 4.350 nan 0.000 0.284 404 T C -1.244 173.449 174.700 -0.012 0.000 0.992 404 T CA -0.626 61.447 62.100 -0.045 0.000 0.957 404 T CB 1.576 70.414 68.868 -0.049 0.000 0.942 404 T HN 0.164 8.352 8.240 -0.086 0.000 0.439 405 T N 7.722 122.295 114.554 0.031 0.000 2.918 405 T HA 0.659 nan 4.350 nan 0.000 0.283 405 T C -1.761 172.971 174.700 0.053 0.000 1.001 405 T CA -1.935 60.228 62.100 0.105 0.000 1.041 405 T CB 1.098 70.081 68.868 0.190 0.000 1.028 405 T HN 0.624 8.885 8.240 0.035 0.000 0.511 406 L N 1.293 122.573 121.223 0.095 0.000 2.301 406 L HA 0.642 nan 4.340 nan 0.000 0.249 406 L C -1.463 175.506 176.870 0.164 0.000 1.069 406 L CA -1.286 53.558 54.840 0.007 0.000 0.865 406 L CB 3.795 45.855 42.059 0.003 0.000 1.467 406 L HN -0.293 7.931 8.230 0.177 0.112 0.419 407 I N -0.452 120.175 120.570 0.095 0.000 2.392 407 I HA 0.426 nan 4.170 nan 0.000 0.295 407 I C -1.805 174.303 176.117 -0.015 0.000 0.985 407 I CA -2.111 59.274 61.300 0.142 0.000 1.221 407 I CB 1.375 39.495 38.000 0.199 0.000 1.366 407 I HN 0.215 8.420 8.210 -0.008 0.000 0.467 408 K N 8.806 129.084 120.400 -0.204 0.000 2.545 408 K HA 0.391 nan 4.320 nan 0.000 0.252 408 K C -1.324 174.955 176.600 -0.536 0.000 0.948 408 K CA -1.661 54.395 56.287 -0.385 0.000 0.827 408 K CB 2.591 34.796 32.500 -0.492 0.000 1.128 408 K HN 0.842 8.836 8.250 -0.246 0.108 0.429 409 E N 5.587 125.591 120.200 -0.326 0.000 2.398 409 E HA 0.112 nan 4.350 nan 0.000 0.263 409 E C -1.033 175.242 176.600 -0.541 0.000 1.046 409 E CA 0.379 56.493 56.400 -0.475 0.000 0.908 409 E CB 0.492 29.973 29.700 -0.365 0.000 0.963 409 E HN 0.403 8.649 8.360 -0.191 0.000 0.431 410 S N 1.764 117.016 115.700 -0.747 0.000 2.727 410 S HA 0.349 nan 4.470 nan 0.000 0.278 410 S C -2.063 172.088 174.600 -0.748 0.000 1.186 410 S CA -0.968 56.795 58.200 -0.729 0.000 0.836 410 S CB 2.047 64.766 63.200 -0.802 0.000 1.186 410 S HN 0.423 8.222 8.310 -0.852 0.000 0.499 411 L N -1.032 119.957 121.223 -0.390 0.000 2.309 411 L HA 0.521 nan 4.340 nan 0.000 0.261 411 L C -2.226 174.750 176.870 0.178 0.000 1.021 411 L CA -1.235 53.550 54.840 -0.091 0.000 0.823 411 L CB 3.226 45.249 42.059 -0.059 0.000 1.366 411 L HN 0.484 8.543 8.230 -0.285 0.000 0.423 412 L N -0.645 120.687 121.223 0.181 0.000 2.543 412 L HA 0.256 nan 4.340 nan 0.000 0.265 412 L C -2.215 174.707 176.870 0.087 0.000 0.945 412 L CA 0.125 55.052 54.840 0.145 0.000 0.869 412 L CB 3.515 45.665 42.059 0.153 0.000 1.294 412 L HN -0.158 8.149 8.230 0.128 0.000 0.405 413 E N 6.523 126.759 120.200 0.061 0.000 1.941 413 E HA 0.210 nan 4.350 nan 0.000 0.275 413 E C 0.742 177.416 176.600 0.122 0.000 1.113 413 E CA -0.875 55.582 56.400 0.095 0.000 0.878 413 E CB -0.017 29.760 29.700 0.128 0.000 1.070 413 E HN 0.268 8.646 8.360 0.030 0.000 0.399 414 L N 6.126 127.408 121.223 0.098 0.000 2.083 414 L HA -0.384 nan 4.340 nan 0.000 0.209 414 L C 1.459 178.395 176.870 0.110 0.000 1.083 414 L CA 3.019 57.917 54.840 0.097 0.000 0.752 414 L CB -0.351 41.765 42.059 0.095 0.000 0.899 414 L HN 0.924 9.205 8.230 0.086 0.000 0.433 415 S N -0.708 115.064 115.700 0.120 0.000 2.434 415 S HA -0.505 nan 4.470 nan 0.000 0.250 415 S C 2.151 176.780 174.600 0.048 0.000 1.102 415 S CA 3.064 61.361 58.200 0.162 0.000 1.104 415 S CB -0.479 62.677 63.200 -0.073 0.000 0.957 415 S HN -0.209 8.161 8.310 0.099 0.000 0.456 416 H N -0.177 118.848 119.070 -0.075 0.000 2.326 416 H HA -0.167 nan 4.556 nan 0.000 0.301 416 H C 1.902 177.086 175.328 -0.239 0.000 1.081 416 H CA 2.981 58.849 56.048 -0.300 0.000 1.334 416 H CB 0.129 29.599 29.762 -0.487 0.000 1.385 416 H HN -0.834 7.498 8.280 0.134 0.028 0.504 417 G N -2.962 105.823 108.800 -0.024 0.000 2.404 417 G HA2 -0.134 nan 3.960 nan 0.000 0.214 417 G HA3 -0.134 nan 3.960 nan 0.000 0.214 417 G C -0.271 174.615 174.900 -0.024 0.000 1.189 417 G CA 0.935 45.995 45.100 -0.065 0.000 0.789 417 G HN -0.267 8.047 8.290 0.040 0.000 0.533 418 I N -3.739 116.857 120.570 0.044 0.000 3.076 418 I HA 0.447 nan 4.170 nan 0.000 0.313 418 I C -1.927 174.229 176.117 0.064 0.000 1.053 418 I CA -3.331 58.000 61.300 0.053 0.000 1.048 418 I CB 2.173 40.211 38.000 0.063 0.000 1.264 418 I HN -0.321 7.820 8.210 0.067 0.109 0.498 419 N N 1.599 120.291 118.700 -0.014 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.036 175.397 175.510 -0.129 0.000 1.127 419 N CA -0.540 52.406 53.050 -0.175 0.000 0.945 419 N CB -0.660 37.680 38.487 -0.245 0.000 1.196 419 N HN -0.013 8.358 8.380 -0.015 0.000 0.499 420 F N 1.570 121.526 119.950 0.009 0.000 2.161 420 F HA -0.140 nan 4.527 nan 0.000 0.300 420 F C 1.385 177.175 175.800 -0.017 0.000 1.089 420 F CA 0.789 58.787 58.000 -0.003 0.000 1.282 420 F CB -0.202 38.794 39.000 -0.007 0.000 1.010 420 F HN -0.339 7.834 8.300 -0.212 0.000 0.485 421 G N -0.542 108.044 108.800 -0.358 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.425 175.357 174.900 0.054 0.000 1.351 421 G CA 1.541 46.521 45.100 -0.200 0.000 0.905 421 G HN -0.243 7.510 8.290 -1.068 -0.103 0.561 422 T N 0.649 115.334 114.554 0.218 0.000 3.348 422 T HA 0.129 nan 4.350 nan 0.000 0.233 422 T C 0.248 175.107 174.700 0.265 0.000 0.960 422 T CA 0.192 62.422 62.100 0.216 0.000 1.343 422 T CB 0.917 69.853 68.868 0.114 0.000 1.068 422 T HN 0.188 8.486 8.240 0.182 0.052 0.410 423 D N 2.269 122.782 120.400 0.188 0.000 2.352 423 D HA -0.151 nan 4.640 nan 0.000 0.238 423 D C 0.407 176.592 176.300 -0.192 0.000 1.286 423 D CA 0.233 54.247 54.000 0.024 0.000 0.923 423 D CB 0.534 41.350 40.800 0.028 0.000 1.146 423 D HN -0.361 8.143 8.370 0.223 0.000 0.471 424 Q N -1.404 118.276 119.800 -0.201 0.000 2.016 424 Q HA -0.137 nan 4.340 nan 0.000 0.200 424 Q C 0.749 176.504 176.000 -0.408 0.000 0.978 424 Q CA 2.580 58.195 55.803 -0.314 0.000 0.833 424 Q CB 0.836 29.470 28.738 -0.173 0.000 0.895 424 Q HN -0.042 8.160 8.270 -0.113 0.000 0.427 425 S N -4.916 110.653 115.700 -0.219 0.000 2.543 425 S HA 0.275 nan 4.470 nan 0.000 0.273 425 S C -2.605 171.966 174.600 -0.048 0.000 1.152 425 S CA -0.184 57.932 58.200 -0.140 0.000 0.910 425 S CB 2.337 65.483 63.200 -0.090 0.000 1.105 425 S HN -0.714 7.617 8.310 -0.149 -0.111 0.465 426 V N 1.649 121.565 119.914 0.003 0.000 2.409 426 V HA 0.772 nan 4.120 nan 0.000 0.291 426 V C -1.598 174.523 176.094 0.045 0.000 1.020 426 V CA -2.702 59.622 62.300 0.040 0.000 0.848 426 V CB 1.387 33.256 31.823 0.077 0.000 0.990 426 V HN 0.754 8.947 8.190 0.006 0.000 0.430 427 K N 4.869 125.291 120.400 0.037 0.000 2.270 427 K HA 0.732 nan 4.320 nan 0.000 0.255 427 K C -2.075 174.557 176.600 0.053 0.000 0.936 427 K CA -2.528 53.783 56.287 0.040 0.000 0.809 427 K CB 2.978 35.485 32.500 0.012 0.000 1.131 427 K HN 0.679 8.844 8.250 0.031 0.103 0.427 428 V N 4.132 124.096 119.914 0.084 0.000 2.318 428 V HA 0.287 nan 4.120 nan 0.000 0.271 428 V C -1.506 174.654 176.094 0.109 0.000 1.030 428 V CA -2.424 59.942 62.300 0.110 0.000 0.844 428 V CB 0.691 32.602 31.823 0.147 0.000 1.015 428 V HN 0.067 8.315 8.190 0.097 0.000 0.460 429 K N 11.294 131.702 120.400 0.013 0.000 2.363 429 K HA 0.064 nan 4.320 nan 0.000 0.289 429 K C -1.010 175.519 176.600 -0.118 0.000 1.063 429 K CA 0.049 56.258 56.287 -0.129 0.000 0.967 429 K CB 0.046 32.466 32.500 -0.134 0.000 0.987 429 K HN 0.720 8.982 8.250 0.020 0.000 0.473 430 Y N 3.387 123.597 120.300 -0.150 0.000 2.618 430 Y HA 0.283 nan 4.550 nan 0.000 0.326 430 Y C -2.123 173.587 175.900 -0.315 0.000 1.168 430 Y CA -3.052 54.977 58.100 -0.119 0.000 1.269 430 Y CB 2.447 40.924 38.460 0.029 0.000 1.388 430 Y HN 0.252 8.034 8.280 -0.653 0.106 0.528 431 H N -0.691 118.492 119.070 0.188 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.255 174.206 175.328 0.221 0.000 1.040 431 H CA -1.267 54.819 56.048 0.062 0.000 1.216 431 H CB 2.886 32.688 29.762 0.067 0.000 1.529 431 H HN -0.117 8.420 8.280 0.429 0.000 0.519 432 H N 1.523 120.724 119.070 0.217 0.000 2.797 432 H HA 0.368 nan 4.556 nan 0.000 0.372 432 H C -2.084 173.365 175.328 0.202 0.000 1.168 432 H CA -2.442 53.740 56.048 0.223 0.000 1.163 432 H CB 2.365 32.188 29.762 0.103 0.000 1.778 432 H HN 0.795 8.848 8.280 -0.183 0.117 0.551 433 L N 0.138 121.677 121.223 0.527 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.061 176.120 176.870 0.519 0.000 1.188 433 L CA 0.839 55.930 54.840 0.419 0.000 0.821 433 L CB 1.294 43.528 42.059 0.293 0.000 1.102 433 L HN 0.368 8.946 8.230 0.581 0.000 0.470 434 D N 0.896 121.514 120.400 0.363 0.000 3.158 434 D HA 0.328 nan 4.640 nan 0.000 0.314 434 D C -2.637 173.778 176.300 0.192 0.000 1.308 434 D CA -1.992 52.169 54.000 0.268 0.000 1.001 434 D CB 3.076 43.977 40.800 0.169 0.000 1.389 434 D HN 0.474 9.034 8.370 0.317 0.000 0.595 435 H N -4.800 114.315 119.070 0.074 0.000 3.064 435 H HA 0.446 nan 4.556 nan 0.000 0.352 435 H C -1.734 173.554 175.328 -0.067 0.000 1.260 435 H CA -1.906 54.128 56.048 -0.023 0.000 1.160 435 H CB 2.802 32.521 29.762 -0.072 0.000 1.879 435 H HN -0.095 8.005 8.280 -0.300 0.000 0.544 436 E N 1.594 121.819 120.200 0.042 0.000 2.398 436 E HA 0.050 nan 4.350 nan 0.000 0.263 436 E C -1.297 175.376 176.600 0.122 0.000 1.046 436 E CA -1.635 54.779 56.400 0.022 0.000 0.908 436 E CB 0.762 30.463 29.700 0.001 0.000 0.963 436 E HN 0.226 8.485 8.360 0.033 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.201 175.333 177.300 0.389 0.000 1.233 437 P CA 0.386 63.651 63.100 0.275 0.000 0.789 437 P CB 0.592 32.465 31.700 0.289 0.000 0.951 438 F N -5.862 114.123 119.950 0.058 0.000 2.807 438 F HA 0.366 nan 4.527 nan 0.000 0.316 438 F C -2.405 173.334 175.800 -0.102 0.000 1.162 438 F CA -2.307 55.661 58.000 -0.053 0.000 0.910 438 F CB 1.781 40.707 39.000 -0.124 0.000 1.314 438 F HN -0.285 8.223 8.300 0.347 0.000 0.454 439 T N -0.576 113.817 114.554 -0.269 0.000 2.916 439 T HA 0.616 nan 4.350 nan 0.000 0.292 439 T C -1.622 172.754 174.700 -0.540 0.000 1.055 439 T CA -1.589 60.256 62.100 -0.425 0.000 1.009 439 T CB 2.860 71.627 68.868 -0.168 0.000 1.118 439 T HN -0.149 8.066 8.240 -0.042 0.000 0.497 440 Y N 1.841 122.053 120.300 -0.147 0.000 2.313 440 Y HA 0.215 nan 4.550 nan 0.000 0.332 440 Y C -1.317 174.571 175.900 -0.020 0.000 1.071 440 Y CA -0.840 57.245 58.100 -0.026 0.000 1.169 440 Y CB 1.230 39.689 38.460 -0.002 0.000 1.192 440 Y HN 0.501 8.544 8.280 -0.219 0.105 0.487 441 N N 3.531 122.298 118.700 0.112 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.211 173.366 175.510 0.111 0.000 0.975 441 N CA -0.806 52.290 53.050 0.077 0.000 0.928 441 N CB 2.510 41.024 38.487 0.045 0.000 1.160 441 N HN -0.090 8.356 8.380 0.111 0.000 0.495 442 I N 6.060 126.689 120.570 0.098 0.000 2.418 442 I HA 0.613 nan 4.170 nan 0.000 0.287 442 I C -2.554 173.605 176.117 0.070 0.000 1.008 442 I CA -1.944 59.417 61.300 0.102 0.000 1.104 442 I CB 2.995 41.068 38.000 0.122 0.000 1.264 442 I HN 0.468 8.719 8.210 0.068 0.000 0.438 443 V N 9.013 128.968 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.556 174.574 176.094 0.059 0.000 1.041 443 V CA -1.616 60.718 62.300 0.057 0.000 0.926 443 V CB 1.329 33.181 31.823 0.048 0.000 0.992 443 V HN 0.808 8.933 8.190 0.076 0.110 0.457 444 V N 5.318 125.265 119.914 0.054 0.000 2.841 444 V HA 0.408 nan 4.120 nan 0.000 0.310 444 V C -2.046 174.066 176.094 0.031 0.000 1.090 444 V CA -1.223 61.107 62.300 0.050 0.000 0.930 444 V CB 4.330 36.194 31.823 0.069 0.000 1.014 444 V HN 0.883 9.017 8.190 0.052 0.088 0.425 445 E N 6.347 126.556 120.200 0.015 0.000 2.070 445 E HA 0.273 nan 4.350 nan 0.000 0.261 445 E C -1.357 175.228 176.600 -0.024 0.000 0.926 445 E CA -2.359 54.041 56.400 -0.001 0.000 0.760 445 E CB 1.258 30.956 29.700 -0.003 0.000 1.133 445 E HN 0.731 8.982 8.360 0.016 0.118 0.420 446 N N 8.221 126.904 118.700 -0.028 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.727 176.202 175.510 -0.059 0.000 1.168 446 N CA -1.304 51.709 53.050 -0.061 0.000 1.055 446 N CB -0.355 38.099 38.487 -0.055 0.000 1.393 446 N HN 0.346 8.629 8.380 -0.011 0.090 0.514 447 N N 4.228 122.889 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.080 175.397 175.510 -0.054 0.000 1.013 447 N CA 2.359 55.378 53.050 -0.052 0.000 0.863 447 N CB -0.006 38.450 38.487 -0.052 0.000 0.990 447 N HN -0.240 8.064 8.380 -0.073 0.031 0.430 448 S N -0.614 115.042 115.700 -0.074 0.000 2.533 448 S HA 0.003 nan 4.470 nan 0.000 0.282 448 S C 1.059 175.627 174.600 -0.054 0.000 1.304 448 S CA 0.307 58.467 58.200 -0.067 0.000 1.063 448 S CB 0.355 63.501 63.200 -0.089 0.000 0.881 448 S HN -0.694 7.528 8.310 -0.096 0.031 0.493 449 G N 1.582 110.358 108.800 -0.040 0.000 2.479 449 G HA2 -0.243 nan 3.960 nan 0.000 0.220 449 G HA3 -0.243 nan 3.960 nan 0.000 0.220 449 G C -0.940 173.939 174.900 -0.036 0.000 1.115 449 G CA 0.855 45.935 45.100 -0.033 0.000 0.757 449 G HN 0.433 8.700 8.290 -0.037 0.000 0.560 450 A N -0.985 121.810 122.820 -0.043 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.679 176.863 177.584 -0.071 0.000 1.147 450 A CA -1.572 50.437 52.037 -0.047 0.000 0.818 450 A CB 1.058 20.036 19.000 -0.037 0.000 1.096 450 A HN -0.667 7.419 8.150 -0.045 0.036 0.495 451 E N 1.140 121.289 120.200 -0.085 0.000 2.652 451 E HA -0.309 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.463 176.600 -0.183 0.000 0.952 451 E CA 0.992 57.312 56.400 -0.133 0.000 0.947 451 E CB 0.085 29.684 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.069 0.000 0.489 452 K N 4.843 125.157 120.400 -0.144 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.228 175.380 176.600 0.012 0.000 0.987 452 K CA -1.574 54.675 56.287 -0.063 0.000 0.865 452 K CB 1.777 34.245 32.500 -0.053 0.000 1.090 452 K HN 0.574 8.679 8.250 -0.106 0.082 0.450 453 H N 3.727 122.985 119.070 0.313 0.000 2.552 453 H HA 0.496 nan 4.556 nan 0.000 0.311 453 H C -0.343 175.267 175.328 0.470 0.000 1.071 453 H CA -0.928 55.374 56.048 0.425 0.000 1.307 453 H CB 0.800 30.850 29.762 0.480 0.000 1.416 453 H HN 0.499 8.940 8.280 0.268 0.000 0.464 454 S N 3.286 119.294 115.700 0.513 0.000 2.648 454 S HA 0.752 nan 4.470 nan 0.000 0.305 454 S C -0.711 173.996 174.600 0.177 0.000 1.094 454 S CA -1.648 56.691 58.200 0.231 0.000 0.983 454 S CB 2.190 65.515 63.200 0.207 0.000 1.101 454 S HN 0.699 9.294 8.310 0.474 0.000 0.514 455 T N 2.288 116.823 114.554 -0.032 0.000 2.791 455 T HA 0.381 nan 4.350 nan 0.000 0.288 455 T C -1.303 173.271 174.700 -0.209 0.000 0.999 455 T CA -0.530 61.547 62.100 -0.038 0.000 0.952 455 T CB 0.668 69.578 68.868 0.070 0.000 0.938 455 T HN 0.653 8.642 8.240 -0.227 0.115 0.444 456 V N 7.518 127.194 119.914 -0.396 0.000 2.318 456 V HA 0.382 nan 4.120 nan 0.000 0.271 456 V C -0.894 174.994 176.094 -0.344 0.000 1.030 456 V CA -1.079 60.927 62.300 -0.490 0.000 0.844 456 V CB -0.366 30.837 31.823 -1.034 0.000 1.015 456 V HN 1.052 8.837 8.190 -0.497 0.107 0.460 457 R N 7.536 127.962 120.500 -0.122 0.000 2.207 457 R HA 0.596 nan 4.340 nan 0.000 0.334 457 R C -1.060 175.263 176.300 0.039 0.000 1.013 457 R CA -1.064 55.024 56.100 -0.019 0.000 0.858 457 R CB 0.565 30.965 30.300 0.167 0.000 1.094 457 R HN 0.425 8.644 8.270 -0.085 0.000 0.457 458 I N 4.105 124.624 120.570 -0.086 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.493 174.634 176.117 0.017 0.000 0.998 458 I CA -1.018 60.306 61.300 0.040 0.000 1.137 458 I CB 2.668 40.565 38.000 -0.171 0.000 1.310 458 I HN 0.759 8.756 8.210 -0.179 0.105 0.445 459 F N 4.490 124.608 119.950 0.280 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.552 174.486 175.800 0.397 0.000 1.060 459 F CA -1.575 56.643 58.000 0.363 0.000 0.940 459 F CB 4.275 43.539 39.000 0.439 0.000 1.268 459 F HN 0.434 9.002 8.300 0.618 0.102 0.475 460 L N 1.263 122.817 121.223 0.553 0.000 2.406 460 L HA 0.670 nan 4.340 nan 0.000 0.272 460 L C -2.363 174.695 176.870 0.313 0.000 0.980 460 L CA -1.336 53.734 54.840 0.384 0.000 0.831 460 L CB 3.538 45.744 42.059 0.246 0.000 1.253 460 L HN 0.894 9.341 8.230 0.550 0.113 0.406 461 A N 5.989 128.900 122.820 0.153 0.000 2.483 461 A HA 0.840 nan 4.320 nan 0.000 0.286 461 A C -3.476 174.112 177.584 0.007 0.000 1.207 461 A CA -2.704 49.255 52.037 -0.129 0.000 0.764 461 A CB 1.978 20.478 19.000 -0.834 0.000 1.341 461 A HN 1.018 9.174 8.150 0.196 0.112 0.428 462 P HA 0.311 nan 4.420 nan 0.000 0.294 462 P C -1.451 175.628 177.300 -0.368 0.000 1.294 462 P CA -0.784 62.043 63.100 -0.455 0.000 0.827 462 P CB 1.279 32.655 31.700 -0.539 0.000 0.992 463 K N 1.262 121.433 120.400 -0.382 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.536 176.895 176.600 -0.403 0.000 1.052 463 K CA 1.210 57.285 56.287 -0.353 0.000 0.969 463 K CB 0.889 33.179 32.500 -0.351 0.000 0.761 463 K HN -0.244 7.719 8.250 -0.478 0.000 0.459 464 Y N -1.900 118.244 120.300 -0.261 0.000 2.314 464 Y HA -0.149 nan 4.550 nan 0.000 0.334 464 Y C -0.489 175.290 175.900 -0.202 0.000 1.266 464 Y CA 2.012 59.987 58.100 -0.209 0.000 1.391 464 Y CB 0.777 39.111 38.460 -0.211 0.000 1.306 464 Y HN -0.874 7.227 8.280 -0.298 0.000 0.558 465 D N 0.793 121.231 120.400 0.063 0.000 2.567 465 D HA 0.150 nan 4.640 nan 0.000 0.275 465 D C -0.476 175.814 176.300 -0.017 0.000 1.195 465 D CA -1.215 52.776 54.000 -0.015 0.000 1.087 465 D CB 2.185 42.971 40.800 -0.024 0.000 1.165 465 D HN 0.295 8.638 8.370 0.133 0.107 0.609 466 E N -0.757 119.417 120.200 -0.043 0.000 2.472 466 E HA -0.023 nan 4.350 nan 0.000 0.196 466 E C -0.578 175.997 176.600 -0.042 0.000 1.033 466 E CA 1.578 57.945 56.400 -0.055 0.000 0.886 466 E CB -0.026 29.638 29.700 -0.060 0.000 0.944 466 E HN 0.446 8.778 8.360 -0.047 0.000 0.492 467 L N -1.890 119.317 121.223 -0.025 0.000 2.189 467 L HA -0.098 nan 4.340 nan 0.000 0.199 467 L C 0.001 176.868 176.870 -0.005 0.000 1.074 467 L CA 1.419 56.249 54.840 -0.018 0.000 0.783 467 L CB 0.274 42.323 42.059 -0.017 0.000 0.955 467 L HN -0.417 7.739 8.230 -0.023 0.060 0.460 468 N N -4.802 113.909 118.700 0.018 0.000 3.387 468 N HA -0.076 nan 4.740 nan 0.000 0.294 468 N C -2.161 173.417 175.510 0.114 0.000 1.519 468 N CA -0.683 52.400 53.050 0.055 0.000 0.875 468 N CB 1.483 39.988 38.487 0.029 0.000 1.657 468 N HN -0.854 7.536 8.380 0.016 0.000 0.527 469 N N -0.146 118.635 118.700 0.135 0.000 2.421 469 N HA -0.104 nan 4.740 nan 0.000 0.260 469 N C -1.516 173.948 175.510 -0.075 0.000 1.173 469 N CA 0.648 53.693 53.050 -0.009 0.000 0.960 469 N CB 0.037 38.427 38.487 -0.161 0.000 1.273 469 N HN 0.206 8.667 8.380 0.135 0.000 0.497 470 K N 3.436 123.789 120.400 -0.079 0.000 2.616 470 K HA 0.264 nan 4.320 nan 0.000 0.241 470 K C -0.340 176.205 176.600 -0.092 0.000 0.961 470 K CA -1.405 54.838 56.287 -0.073 0.000 0.942 470 K CB 1.165 33.639 32.500 -0.043 0.000 1.153 470 K HN -0.296 7.914 8.250 -0.068 0.000 0.452 471 L N 6.449 127.616 121.223 -0.094 0.000 2.930 471 L HA 0.001 nan 4.340 nan 0.000 0.250 471 L C -0.814 176.023 176.870 -0.055 0.000 1.320 471 L CA -0.874 53.910 54.840 -0.093 0.000 1.163 471 L CB -1.717 40.290 42.059 -0.085 0.000 1.542 471 L HN 0.837 9.015 8.230 -0.086 0.000 0.428 472 E N 1.543 121.708 120.200 -0.058 0.000 2.081 472 E HA 0.005 nan 4.350 nan 0.000 0.270 472 E C -1.305 175.266 176.600 -0.049 0.000 1.180 472 E CA -1.210 55.166 56.400 -0.040 0.000 0.926 472 E CB -0.645 29.032 29.700 -0.039 0.000 1.035 472 E HN -0.246 7.963 8.360 -0.070 0.109 0.418 473 P HA -0.125 nan 4.420 nan 0.000 0.222 473 P C 0.731 178.027 177.300 -0.006 0.000 1.153 473 P CA 2.425 65.526 63.100 0.003 0.000 0.798 473 P CB 0.297 32.010 31.700 0.021 0.000 0.796 474 D N -0.356 120.026 120.400 -0.029 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.404 177.705 176.300 0.000 0.000 0.984 474 D CA 3.361 57.353 54.000 -0.014 0.000 0.826 474 D CB -0.432 40.356 40.800 -0.020 0.000 0.973 474 D HN 0.319 8.668 8.370 -0.034 0.000 0.460 475 E N -1.735 118.452 120.200 -0.021 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.476 179.044 176.600 -0.054 0.000 0.994 475 E CA 2.993 59.374 56.400 -0.032 0.000 0.801 475 E CB -0.162 29.508 29.700 -0.049 0.000 0.743 475 E HN 0.112 8.456 8.360 -0.026 0.000 0.453 476 Q N -1.429 118.309 119.800 -0.103 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.195 176.000 -0.103 0.000 0.970 476 Q CA 2.570 58.227 55.803 -0.244 0.000 0.876 476 Q CB -0.249 28.195 28.738 -0.491 0.000 0.935 476 Q HN 0.119 8.155 8.270 -0.092 0.179 0.455 477 R N -1.444 119.143 120.500 0.145 0.000 2.200 477 R HA -0.269 nan 4.340 nan 0.000 0.234 477 R C 1.714 178.142 176.300 0.213 0.000 1.127 477 R CA 2.613 58.891 56.100 0.297 0.000 0.989 477 R CB -0.489 29.934 30.300 0.206 0.000 0.869 477 R HN -0.207 8.003 8.270 0.093 0.116 0.459 478 R N -2.929 117.638 120.500 0.112 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.176 177.519 176.300 0.071 0.000 1.088 478 R CA 1.287 57.444 56.100 0.096 0.000 0.985 478 R CB -0.135 30.204 30.300 0.065 0.000 0.880 478 R HN -0.657 7.618 8.270 0.067 0.036 0.451 479 L N -1.461 119.774 121.223 0.021 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.803 177.702 176.870 0.048 0.000 1.070 479 L CA 0.741 55.569 54.840 -0.020 0.000 0.820 479 L CB 0.111 42.091 42.059 -0.130 0.000 0.992 479 L HN -0.352 7.701 8.230 -0.009 0.173 0.466 480 F N -0.655 119.302 119.950 0.012 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.246 176.200 175.800 0.256 0.000 0.990 480 F CA 2.565 60.616 58.000 0.085 0.000 1.137 480 F CB -0.239 38.697 39.000 -0.106 0.000 0.960 480 F HN -0.213 8.097 8.300 0.017 0.000 0.533 481 I N -0.381 120.517 120.570 0.546 0.000 2.465 481 I HA 0.404 nan 4.170 nan 0.000 0.291 481 I C -1.643 174.633 176.117 0.265 0.000 1.014 481 I CA -2.165 59.342 61.300 0.345 0.000 1.093 481 I CB 3.319 41.419 38.000 0.167 0.000 1.267 481 I HN 0.733 9.168 8.210 0.565 0.114 0.431 482 E N 6.658 126.862 120.200 0.007 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.113 175.404 176.600 -0.138 0.000 1.068 482 E CA 0.365 56.484 56.400 -0.469 0.000 0.882 482 E CB 0.482 29.969 29.700 -0.354 0.000 1.039 482 E HN 0.053 8.796 8.360 0.157 -0.289 0.418 483 L N 5.912 127.073 121.223 -0.103 0.000 2.375 483 L HA 0.104 nan 4.340 nan 0.000 0.215 483 L C -0.462 176.403 176.870 -0.008 0.000 1.108 483 L CA 0.537 55.398 54.840 0.036 0.000 0.830 483 L CB 0.580 42.762 42.059 0.204 0.000 0.959 483 L HN 0.763 8.779 8.230 -0.172 0.111 0.457 484 D N -3.930 116.422 120.400 -0.080 0.000 2.683 484 D HA 0.153 nan 4.640 nan 0.000 0.246 484 D C -2.913 173.372 176.300 -0.025 0.000 1.238 484 D CA -0.480 53.506 54.000 -0.023 0.000 0.759 484 D CB 2.568 43.360 40.800 -0.013 0.000 1.349 484 D HN -0.834 7.438 8.370 -0.162 0.000 0.426 485 K N 2.579 123.024 120.400 0.074 0.000 2.651 485 K HA 0.573 nan 4.320 nan 0.000 0.259 485 K C -2.195 174.493 176.600 0.147 0.000 1.017 485 K CA -0.104 56.202 56.287 0.033 0.000 0.897 485 K CB 1.832 34.339 32.500 0.012 0.000 1.262 485 K HN 0.199 8.533 8.250 0.139 0.000 0.460 486 F N 1.403 121.336 119.950 -0.028 0.000 2.675 486 F HA 0.468 nan 4.527 nan 0.000 0.324 486 F C -2.428 173.404 175.800 0.053 0.000 1.106 486 F CA -2.553 55.446 58.000 -0.002 0.000 0.970 486 F CB 3.051 42.033 39.000 -0.031 0.000 1.385 486 F HN 0.020 8.089 8.300 -0.384 0.000 0.489 487 F N -0.223 119.763 119.950 0.060 0.000 2.436 487 F HA 0.431 nan 4.527 nan 0.000 0.340 487 F C -2.275 173.661 175.800 0.226 0.000 1.113 487 F CA -1.683 56.230 58.000 -0.144 0.000 1.022 487 F CB 2.195 40.801 39.000 -0.656 0.000 1.128 487 F HN -0.039 8.493 8.300 0.387 0.000 0.466 488 Y N 7.202 127.332 120.300 -0.282 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.268 173.453 175.900 -0.299 0.000 1.084 488 Y CA -1.281 56.602 58.100 -0.361 0.000 1.068 488 Y CB 4.722 43.203 38.460 0.035 0.000 1.294 488 Y HN -0.230 8.144 8.280 0.156 0.000 0.480 489 T N 3.930 118.115 114.554 -0.615 0.000 2.841 489 T HA 0.587 nan 4.350 nan 0.000 0.283 489 T C -1.584 172.941 174.700 -0.291 0.000 1.000 489 T CA -0.648 61.275 62.100 -0.296 0.000 0.977 489 T CB 1.229 69.963 68.868 -0.223 0.000 0.979 489 T HN -0.004 7.435 8.240 -1.336 0.000 0.446 490 L N 5.909 127.077 121.223 -0.092 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.496 176.345 176.870 -0.048 0.000 0.989 490 L CA -1.024 53.819 54.840 0.006 0.000 0.841 490 L CB 2.202 44.316 42.059 0.093 0.000 1.225 490 L HN 0.836 8.899 8.230 -0.111 0.100 0.414 491 T N 2.513 117.043 114.554 -0.040 0.000 2.748 491 T HA 0.214 nan 4.350 nan 0.000 0.304 491 T C -0.947 173.735 174.700 -0.030 0.000 1.041 491 T CA -2.130 59.944 62.100 -0.043 0.000 1.033 491 T CB -1.087 67.762 68.868 -0.031 0.000 0.995 491 T HN 0.133 8.564 8.240 -0.012 -0.197 0.536 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.697 176.594 177.300 -0.015 0.000 1.208 492 P CA 0.553 63.636 63.100 -0.029 0.000 0.777 492 P CB 0.117 31.801 31.700 -0.027 0.000 0.875 493 G N 2.278 111.069 108.800 -0.015 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.474 173.429 174.900 0.005 0.000 1.286 493 G CA -0.372 44.725 45.100 -0.005 0.000 0.904 493 G HN -0.069 8.103 8.290 -0.024 0.103 0.577 494 K N 3.002 123.409 120.400 0.012 0.000 2.419 494 K HA -0.173 nan 4.320 nan 0.000 0.282 494 K C -0.834 175.787 176.600 0.034 0.000 1.056 494 K CA 1.038 57.338 56.287 0.022 0.000 1.035 494 K CB -0.228 32.284 32.500 0.020 0.000 0.921 494 K HN 0.117 8.372 8.250 0.008 0.000 0.472 495 N N 5.461 124.190 118.700 0.048 0.000 2.269 495 N HA 0.299 nan 4.740 nan 0.000 0.304 495 N C -1.681 173.872 175.510 0.071 0.000 1.072 495 N CA -0.513 52.582 53.050 0.075 0.000 0.802 495 N CB 4.246 42.797 38.487 0.107 0.000 1.348 495 N HN 0.551 8.855 8.380 0.044 0.103 0.484 496 T N -3.577 111.023 114.554 0.075 0.000 2.841 496 T HA 0.669 nan 4.350 nan 0.000 0.283 496 T C -0.912 173.798 174.700 0.015 0.000 1.000 496 T CA -1.732 60.396 62.100 0.047 0.000 0.977 496 T CB 1.453 70.342 68.868 0.036 0.000 0.979 496 T HN 0.200 8.495 8.240 0.092 0.000 0.446 497 I N 2.760 123.293 120.570 -0.061 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.524 174.515 176.117 -0.130 0.000 1.011 497 I CA -1.324 59.818 61.300 -0.263 0.000 1.107 497 I CB 3.888 41.684 38.000 -0.341 0.000 1.285 497 I HN 0.540 8.742 8.210 -0.013 0.000 0.436 498 V N 5.056 124.872 119.914 -0.164 0.000 2.588 498 V HA 0.596 nan 4.120 nan 0.000 0.304 498 V C -1.474 174.528 176.094 -0.153 0.000 1.042 498 V CA -1.353 60.892 62.300 -0.091 0.000 0.877 498 V CB 1.794 33.579 31.823 -0.064 0.000 0.996 498 V HN 0.118 8.158 8.190 -0.250 0.000 0.425 499 R N 7.281 127.721 120.500 -0.100 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.889 174.333 176.300 -0.129 0.000 1.056 499 R CA -1.756 54.238 56.100 -0.177 0.000 0.918 499 R CB 2.953 33.103 30.300 -0.250 0.000 1.187 499 R HN 0.329 8.583 8.270 -0.028 0.000 0.437 500 N N 6.422 125.012 118.700 -0.185 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.775 176.154 175.510 -0.219 0.000 1.119 500 N CA -0.428 52.504 53.050 -0.198 0.000 0.983 500 N CB 0.886 39.289 38.487 -0.140 0.000 1.139 500 N HN 0.460 8.720 8.380 -0.201 0.000 0.465 501 H N 3.443 122.330 119.070 -0.305 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.791 177.120 175.328 0.002 0.000 1.121 501 H CA 4.296 60.235 56.048 -0.182 0.000 1.207 501 H CB -0.054 29.752 29.762 0.072 0.000 1.355 501 H HN 0.629 8.773 8.280 -0.226 0.000 0.486 502 Q N -1.582 117.803 119.800 -0.691 0.000 2.124 502 Q HA -0.283 nan 4.340 nan 0.000 0.202 502 Q C 1.327 177.195 176.000 -0.221 0.000 0.977 502 Q CA 2.754 58.196 55.803 -0.602 0.000 0.850 502 Q CB -0.722 27.782 28.738 -0.389 0.000 0.901 502 Q HN 0.322 8.243 8.270 -0.476 0.063 0.429 503 D N -2.648 117.642 120.400 -0.184 0.000 2.344 503 D HA 0.067 nan 4.640 nan 0.000 0.242 503 D C -0.186 176.065 176.300 -0.083 0.000 1.159 503 D CA -0.766 53.160 54.000 -0.124 0.000 0.859 503 D CB -1.004 39.701 40.800 -0.158 0.000 0.925 503 D HN -0.663 7.548 8.370 -0.222 0.026 0.510 504 S N 0.424 116.101 115.700 -0.038 0.000 2.544 504 S HA -0.182 nan 4.470 nan 0.000 0.290 504 S C 0.633 175.223 174.600 -0.017 0.000 1.276 504 S CA 1.162 59.365 58.200 0.005 0.000 1.075 504 S CB 0.210 63.452 63.200 0.070 0.000 0.849 504 S HN -0.754 7.433 8.310 -0.045 0.096 0.494 505 S N 8.347 124.034 115.700 -0.021 0.000 2.727 505 S HA -0.085 nan 4.470 nan 0.000 0.226 505 S C 0.070 174.623 174.600 -0.077 0.000 0.963 505 S CA 1.666 59.851 58.200 -0.025 0.000 0.950 505 S CB -0.336 62.867 63.200 0.006 0.000 0.779 505 S HN 0.338 8.803 8.310 -0.005 -0.157 0.532 506 V N -6.697 113.112 119.914 -0.175 0.000 3.621 506 V HA 0.367 nan 4.120 nan 0.000 0.263 506 V C -0.730 175.273 176.094 -0.151 0.000 1.272 506 V CA 0.037 62.082 62.300 -0.426 0.000 1.080 506 V CB 0.813 32.007 31.823 -1.049 0.000 0.816 506 V HN -0.716 7.295 8.190 -0.117 0.109 0.451 507 T N -1.130 113.418 114.554 -0.009 0.000 2.928 507 T HA 0.519 nan 4.350 nan 0.000 0.284 507 T C -0.887 173.877 174.700 0.106 0.000 1.008 507 T CA -2.068 60.093 62.100 0.101 0.000 1.057 507 T CB 1.612 70.557 68.868 0.128 0.000 1.018 507 T HN -0.696 7.531 8.240 -0.023 0.000 0.493 508 I N 2.718 123.363 120.570 0.125 0.000 2.474 508 I HA -0.045 nan 4.170 nan 0.000 0.287 508 I C -0.918 175.240 176.117 0.067 0.000 1.048 508 I CA -1.413 59.937 61.300 0.083 0.000 1.383 508 I CB 1.568 39.620 38.000 0.086 0.000 1.412 508 I HN 0.129 8.322 8.210 0.152 0.108 0.531 509 S N 7.917 123.633 115.700 0.027 0.000 2.338 509 S HA 0.010 nan 4.470 nan 0.000 0.197 509 S C 0.431 175.035 174.600 0.007 0.000 0.990 509 S CA 1.176 59.389 58.200 0.023 0.000 0.920 509 S CB 0.676 63.873 63.200 -0.006 0.000 0.903 509 S HN -0.128 8.345 8.310 0.007 -0.158 0.542 510 K N 3.115 123.492 120.400 -0.039 0.000 2.257 510 K HA 0.125 nan 4.320 nan 0.000 0.270 510 K C -0.959 175.581 176.600 -0.101 0.000 1.098 510 K CA -1.502 54.752 56.287 -0.056 0.000 0.943 510 K CB -0.216 32.245 32.500 -0.064 0.000 1.316 510 K HN -0.196 8.021 8.250 -0.056 0.000 0.447 511 V N 4.443 124.331 119.914 -0.044 0.000 3.178 511 V HA -0.074 nan 4.120 nan 0.000 0.306 511 V C -0.479 175.584 176.094 -0.052 0.000 1.107 511 V CA 0.546 62.822 62.300 -0.040 0.000 1.195 511 V CB 0.691 32.523 31.823 0.016 0.000 0.993 511 V HN -0.173 8.014 8.190 -0.006 0.000 0.493 512 R N 5.123 125.598 120.500 -0.040 0.000 2.502 512 R HA 0.268 nan 4.340 nan 0.000 0.298 512 R C -1.436 174.867 176.300 0.005 0.000 1.018 512 R CA -1.178 54.915 56.100 -0.012 0.000 0.899 512 R CB 2.240 32.548 30.300 0.013 0.000 1.181 512 R HN 0.010 8.263 8.270 -0.030 0.000 0.444 513 T N 4.101 118.659 114.554 0.007 0.000 2.898 513 T HA 0.139 nan 4.350 nan 0.000 0.301 513 T C 1.043 175.760 174.700 0.028 0.000 1.049 513 T CA -0.889 61.212 62.100 0.001 0.000 1.095 513 T CB 1.129 69.988 68.868 -0.016 0.000 0.976 513 T HN 0.148 8.393 8.240 0.008 0.000 0.539 514 F N 5.302 125.140 119.950 -0.187 0.000 2.176 514 F HA -0.441 nan 4.527 nan 0.000 0.301 514 F C 1.042 176.799 175.800 -0.071 0.000 1.071 514 F CA 3.940 61.841 58.000 -0.164 0.000 1.289 514 F CB 0.329 39.114 39.000 -0.357 0.000 1.028 514 F HN 0.383 9.047 8.300 0.067 -0.324 0.494 515 D N -2.904 117.597 120.400 0.169 0.000 2.183 515 D HA -0.189 nan 4.640 nan 0.000 0.203 515 D C 2.636 178.990 176.300 0.089 0.000 0.969 515 D CA 3.059 57.155 54.000 0.160 0.000 0.842 515 D CB -0.543 40.327 40.800 0.117 0.000 0.957 515 D HN -0.627 7.740 8.370 0.069 0.044 0.484 516 Q N -0.309 119.523 119.800 0.053 0.000 2.020 516 Q HA -0.276 nan 4.340 nan 0.000 0.202 516 Q C 2.529 178.539 176.000 0.016 0.000 0.982 516 Q CA 2.952 58.776 55.803 0.035 0.000 0.838 516 Q CB 0.064 28.824 28.738 0.036 0.000 0.899 516 Q HN -0.437 7.764 8.270 0.049 0.099 0.423 517 L N -1.609 119.604 121.223 -0.018 0.000 2.083 517 L HA -0.303 nan 4.340 nan 0.000 0.209 517 L C 2.366 179.197 176.870 -0.064 0.000 1.083 517 L CA 2.102 56.890 54.840 -0.086 0.000 0.752 517 L CB -0.694 41.231 42.059 -0.222 0.000 0.899 517 L HN -0.557 7.665 8.230 -0.014 0.000 0.433 518 G N -1.633 107.171 108.800 0.006 0.000 2.545 518 G HA2 -0.362 nan 3.960 nan 0.000 0.222 518 G HA3 -0.362 nan 3.960 nan 0.000 0.222 518 G C -0.072 174.847 174.900 0.032 0.000 1.126 518 G CA 1.526 46.660 45.100 0.057 0.000 0.754 518 G HN 0.042 8.354 8.290 0.037 0.000 0.583 519 A N 0.572 123.405 122.820 0.022 0.000 1.941 519 A HA 0.297 nan 4.320 nan 0.000 0.214 519 A C -0.399 177.181 177.584 -0.007 0.000 1.368 519 A CA -0.012 52.033 52.037 0.012 0.000 0.651 519 A CB 1.408 20.419 19.000 0.018 0.000 1.064 519 A HN -0.190 7.850 8.150 0.026 0.126 0.492 520 G N -1.944 106.850 108.800 -0.009 0.000 2.906 520 G HA2 -0.258 nan 3.960 nan 0.000 0.686 520 G HA3 -0.258 nan 3.960 nan 0.000 0.686 520 G C -1.940 172.955 174.900 -0.008 0.000 1.170 520 G CA -0.371 44.714 45.100 -0.024 0.000 0.775 520 G HN -0.311 7.981 8.290 0.002 0.000 0.630 521 E N 1.172 121.372 120.200 -0.000 0.000 2.428 521 E HA 0.335 nan 4.350 nan 0.000 0.259 521 E C -0.185 176.419 176.600 0.008 0.000 0.930 521 E CA -1.312 55.099 56.400 0.018 0.000 0.823 521 E CB 2.051 31.783 29.700 0.052 0.000 1.403 521 E HN 0.262 8.614 8.360 -0.013 0.000 0.415 522 G N 0.857 109.667 108.800 0.016 0.000 3.288 522 G HA2 0.145 nan 3.960 nan 0.000 0.337 522 G HA3 0.145 nan 3.960 nan 0.000 0.337 522 G C -1.399 173.524 174.900 0.039 0.000 1.142 522 G CA -0.078 45.028 45.100 0.010 0.000 1.304 522 G HN 0.256 8.559 8.290 0.021 0.000 0.475 523 V N 2.284 122.244 119.914 0.077 0.000 2.950 523 V HA 0.182 nan 4.120 nan 0.000 0.231 523 V C -0.202 175.983 176.094 0.150 0.000 1.205 523 V CA 0.912 63.300 62.300 0.147 0.000 1.239 523 V CB 0.738 32.732 31.823 0.285 0.000 1.050 523 V HN 0.472 8.691 8.190 0.048 0.000 0.498 524 S N -1.339 114.457 115.700 0.161 0.000 4.151 524 S HA 0.072 nan 4.470 nan 0.000 0.220 524 S C -1.639 172.863 174.600 -0.164 0.000 1.151 524 S CA -0.388 57.811 58.200 -0.001 0.000 1.347 524 S CB 1.144 64.344 63.200 -0.000 0.000 1.781 524 S HN -0.608 7.909 8.310 0.345 0.000 0.681 525 E N -0.300 119.769 120.200 -0.218 0.000 2.646 525 E HA 0.168 nan 4.350 nan 0.000 0.336 525 E C -1.989 174.452 176.600 -0.264 0.000 1.027 525 E CA 0.110 56.291 56.400 -0.364 0.000 0.765 525 E CB 2.783 32.325 29.700 -0.262 0.000 1.545 525 E HN 0.001 8.281 8.360 -0.133 0.000 0.382 526 D N 1.829 122.066 120.400 -0.271 0.000 3.093 526 D HA 0.259 nan 4.640 nan 0.000 0.200 526 D C -0.569 175.623 176.300 -0.180 0.000 1.344 526 D CA -1.110 52.798 54.000 -0.152 0.000 1.133 526 D CB 2.593 43.362 40.800 -0.051 0.000 1.188 526 D HN -0.114 8.001 8.370 -0.426 0.000 0.583 527 S N -0.515 115.116 115.700 -0.114 0.000 4.055 527 S HA 0.273 nan 4.470 nan 0.000 0.180 527 S C 1.267 175.789 174.600 -0.129 0.000 1.191 527 S CA 0.655 58.759 58.200 -0.159 0.000 1.195 527 S CB 1.874 64.937 63.200 -0.228 0.000 1.932 527 S HN 0.148 8.417 8.310 -0.068 0.000 0.781 528 T N 2.806 117.241 114.554 -0.199 0.000 3.035 528 T HA 0.028 nan 4.350 nan 0.000 0.268 528 T C 0.642 175.207 174.700 -0.226 0.000 1.109 528 T CA 3.006 64.952 62.100 -0.256 0.000 1.119 528 T CB -0.375 68.317 68.868 -0.293 0.000 0.900 528 T HN 0.320 8.413 8.240 -0.245 0.000 0.503 529 E N 0.398 120.532 120.200 -0.110 0.000 1.998 529 E HA -0.288 nan 4.350 nan 0.000 0.195 529 E C 1.410 178.023 176.600 0.022 0.000 0.994 529 E CA 1.588 57.977 56.400 -0.018 0.000 0.835 529 E CB -0.750 28.948 29.700 -0.003 0.000 0.786 529 E HN -0.086 8.194 8.360 -0.133 0.000 0.467 530 Y N 0.042 120.306 120.300 -0.060 0.000 2.838 530 Y HA -0.483 nan 4.550 nan 0.000 0.489 530 Y C -0.777 175.113 175.900 -0.016 0.000 0.863 530 Y CA 2.215 60.286 58.100 -0.048 0.000 3.273 530 Y CB -0.541 37.868 38.460 -0.085 0.000 0.644 530 Y HN 0.229 8.578 8.280 0.114 0.000 0.570 531 C N -7.600 111.474 119.300 -0.377 0.000 3.724 531 C HA 0.342 nan 4.460 nan 0.000 0.325 531 C C -1.150 173.787 174.990 -0.087 0.000 2.763 531 C CA -1.881 56.925 59.018 -0.355 0.000 1.574 531 C CB -0.074 27.332 27.740 -0.557 0.000 3.199 531 C HN -0.255 7.827 8.230 -0.138 0.066 0.384 532 S N 0.246 115.956 115.700 0.016 0.000 2.462 532 S HA 0.164 nan 4.470 nan 0.000 0.269 532 S C -0.805 174.007 174.600 0.352 0.000 1.005 532 S CA 1.602 59.906 58.200 0.174 0.000 1.260 532 S CB 1.372 64.590 63.200 0.030 0.000 0.990 532 S HN 0.255 8.567 8.310 0.003 0.000 0.477 533 C N -0.239 119.220 119.300 0.266 0.000 2.551 533 C HA 0.306 nan 4.460 nan 0.000 0.377 533 C C -0.644 174.624 174.990 0.463 0.000 1.622 533 C CA 0.125 59.389 59.018 0.410 0.000 1.980 533 C CB 1.918 29.821 27.740 0.272 0.000 1.946 533 C HN -0.338 7.865 8.230 0.138 0.109 0.525 534 G N 0.355 109.531 108.800 0.627 0.000 2.721 534 G HA2 -0.316 nan 3.960 nan 0.000 0.686 534 G HA3 -0.316 nan 3.960 nan 0.000 0.686 534 G C -1.597 173.483 174.900 0.299 0.000 1.236 534 G CA -0.570 44.770 45.100 0.400 0.000 0.786 534 G HN -0.067 8.707 8.290 0.808 0.000 0.616 535 W N 1.949 123.229 121.300 -0.034 0.000 2.190 535 W HA 0.026 nan 4.660 nan 0.000 0.330 535 W C -1.247 175.283 176.519 0.019 0.000 1.299 535 W CA -1.767 55.546 57.345 -0.053 0.000 1.215 535 W CB 1.134 30.681 29.460 0.145 0.000 1.147 535 W HN 0.595 8.904 8.180 0.376 0.096 0.563 536 P HA -0.123 nan 4.420 nan 0.000 0.268 536 P C -0.392 176.881 177.300 -0.045 0.000 1.208 536 P CA 0.036 63.021 63.100 -0.193 0.000 0.777 536 P CB 0.537 31.965 31.700 -0.454 0.000 0.875 537 E N 3.752 123.994 120.200 0.071 0.000 2.028 537 E HA -0.380 nan 4.350 nan 0.000 0.190 537 E C 1.762 178.547 176.600 0.309 0.000 0.984 537 E CA 3.695 60.245 56.400 0.249 0.000 0.800 537 E CB -0.106 29.758 29.700 0.273 0.000 0.758 537 E HN 0.649 9.052 8.360 0.071 0.000 0.448 538 H N -4.559 114.586 119.070 0.125 0.000 2.520 538 H HA -0.184 nan 4.556 nan 0.000 0.295 538 H C 0.433 175.936 175.328 0.292 0.000 1.096 538 H CA 2.352 58.478 56.048 0.130 0.000 1.249 538 H CB -0.684 29.049 29.762 -0.048 0.000 1.365 538 H HN 0.320 8.795 8.280 0.324 0.000 0.556 539 M N -2.308 117.348 119.600 0.093 0.000 2.475 539 M HA 0.184 nan 4.480 nan 0.000 0.283 539 M C -0.080 176.470 176.300 0.416 0.000 1.165 539 M CA -2.657 52.813 55.300 0.285 0.000 0.976 539 M CB -0.736 32.003 32.600 0.231 0.000 1.428 539 M HN -0.728 7.450 8.290 -0.086 0.061 0.495 540 L N 1.110 122.547 121.223 0.357 0.000 2.131 540 L HA -0.195 nan 4.340 nan 0.000 0.210 540 L C -1.093 175.821 176.870 0.072 0.000 1.092 540 L CA 2.831 57.819 54.840 0.246 0.000 0.759 540 L CB 0.453 42.635 42.059 0.204 0.000 0.903 540 L HN -0.149 8.146 8.230 0.402 0.177 0.435 541 I N -3.527 117.012 120.570 -0.051 0.000 2.478 541 I HA 0.192 nan 4.170 nan 0.000 0.287 541 I C -2.667 173.403 176.117 -0.077 0.000 1.042 541 I CA -3.338 57.872 61.300 -0.149 0.000 1.067 541 I CB 2.038 39.813 38.000 -0.376 0.000 1.233 541 I HN -0.553 7.649 8.210 0.022 0.021 0.431 542 P HA 0.019 nan 4.420 nan 0.000 0.270 542 P C -1.394 175.834 177.300 -0.120 0.000 1.227 542 P CA -0.275 62.776 63.100 -0.080 0.000 0.788 542 P CB 0.717 32.352 31.700 -0.108 0.000 0.926 543 R N 1.487 121.938 120.500 -0.083 0.000 2.127 543 R HA -0.378 nan 4.340 nan 0.000 0.238 543 R C 0.799 177.070 176.300 -0.047 0.000 1.134 543 R CA 1.899 57.916 56.100 -0.138 0.000 0.975 543 R CB 0.444 30.479 30.300 -0.442 0.000 0.865 543 R HN 0.235 8.836 8.270 -0.034 -0.351 0.447 544 G N -2.302 106.502 108.800 0.006 0.000 2.591 544 G HA2 -0.409 nan 3.960 nan 0.000 0.298 544 G HA3 -0.409 nan 3.960 nan 0.000 0.298 544 G C -1.067 173.904 174.900 0.118 0.000 1.195 544 G CA 0.182 45.380 45.100 0.162 0.000 0.989 544 G HN -0.515 7.745 8.290 0.008 0.035 0.551 545 S N -0.552 115.224 115.700 0.127 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.190 174.884 174.600 0.157 0.000 1.161 545 S CA -1.038 57.230 58.200 0.113 0.000 0.820 545 S CB 2.818 66.061 63.200 0.071 0.000 1.137 545 S HN -0.467 7.924 8.310 0.135 0.000 0.470 546 H N 4.000 123.132 119.070 0.105 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.411 174.949 175.328 0.055 0.000 1.075 546 H CA 2.364 58.471 56.048 0.097 0.000 1.342 546 H CB 0.325 30.139 29.762 0.086 0.000 1.395 546 H HN 0.661 9.082 8.280 0.234 0.000 0.530 547 K N -5.179 115.169 120.400 -0.087 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.399 176.946 176.600 -0.087 0.000 1.049 547 K CA 0.471 56.696 56.287 -0.103 0.000 0.936 547 K CB -0.107 32.371 32.500 -0.038 0.000 0.722 547 K HN -0.216 8.028 8.250 0.025 0.022 0.446 548 G N 0.833 109.611 108.800 -0.035 0.000 3.055 548 G HA2 -0.288 nan 3.960 nan 0.000 0.654 548 G HA3 -0.288 nan 3.960 nan 0.000 0.654 548 G C -1.401 173.551 174.900 0.086 0.000 1.134 548 G CA -0.601 44.510 45.100 0.018 0.000 1.049 548 G HN -0.588 7.517 8.290 -0.021 0.173 0.458 549 M N 2.576 122.277 119.600 0.168 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.082 174.445 176.300 0.378 0.000 1.153 549 M CA -0.467 54.980 55.300 0.246 0.000 1.084 549 M CB 3.176 35.962 32.600 0.310 0.000 1.468 549 M HN 0.201 8.596 8.290 0.175 0.000 0.474 550 E N 0.673 121.039 120.200 0.278 0.000 2.224 550 E HA 0.706 nan 4.350 nan 0.000 0.265 550 E C -1.445 175.146 176.600 -0.015 0.000 0.878 550 E CA -1.143 55.376 56.400 0.198 0.000 0.759 550 E CB 2.611 32.395 29.700 0.141 0.000 1.164 550 E HN 0.143 8.595 8.360 0.153 0.000 0.414 551 F N 4.516 124.449 119.950 -0.027 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.336 174.436 175.800 -0.048 0.000 1.177 551 F CA -1.333 56.642 58.000 -0.041 0.000 1.036 551 F CB 5.006 43.994 39.000 -0.019 0.000 1.455 551 F HN 0.820 9.274 8.300 0.257 0.000 0.520 552 E N -0.391 119.925 120.200 0.193 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.024 174.723 176.600 0.246 0.000 0.889 552 E CA -1.347 55.125 56.400 0.120 0.000 0.789 552 E CB 3.576 33.274 29.700 -0.003 0.000 1.221 552 E HN 0.537 8.986 8.360 0.289 0.084 0.414 553 L N 8.391 129.769 121.223 0.257 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.181 174.947 176.870 0.431 0.000 1.055 553 L CA -0.762 54.298 54.840 0.366 0.000 0.863 553 L CB 0.986 43.255 42.059 0.350 0.000 1.245 553 L HN 0.069 8.411 8.230 0.187 0.000 0.432 554 F N 8.948 129.144 119.950 0.410 0.000 2.411 554 F HA 0.511 nan 4.527 nan 0.000 0.352 554 F C -1.813 174.237 175.800 0.417 0.000 1.123 554 F CA -2.800 55.439 58.000 0.399 0.000 1.044 554 F CB 2.047 41.326 39.000 0.465 0.000 1.135 554 F HN 0.386 9.006 8.300 0.739 0.123 0.461 555 V N 8.130 128.460 119.914 0.692 0.000 2.630 555 V HA 0.643 nan 4.120 nan 0.000 0.305 555 V C -2.066 174.205 176.094 0.296 0.000 1.046 555 V CA -1.846 60.690 62.300 0.393 0.000 0.934 555 V CB 2.598 34.568 31.823 0.245 0.000 1.003 555 V HN 0.974 9.494 8.190 0.742 0.115 0.451 556 M N 3.588 123.272 119.600 0.141 0.000 2.530 556 M HA 0.738 nan 4.480 nan 0.000 0.307 556 M C -2.238 174.055 176.300 -0.013 0.000 1.161 556 M CA -1.495 53.818 55.300 0.021 0.000 0.903 556 M CB 4.437 36.970 32.600 -0.112 0.000 1.711 556 M HN 0.675 9.053 8.290 0.146 0.000 0.451 557 L N 5.208 126.427 121.223 -0.008 0.000 2.316 557 L HA 0.589 nan 4.340 nan 0.000 0.280 557 L C -1.751 174.952 176.870 -0.278 0.000 1.006 557 L CA -0.651 54.139 54.840 -0.084 0.000 0.836 557 L CB 0.843 42.981 42.059 0.132 0.000 1.221 557 L HN 0.563 8.821 8.230 0.046 0.000 0.418 558 T N 4.871 119.169 114.554 -0.428 0.000 2.937 558 T HA 0.377 nan 4.350 nan 0.000 0.283 558 T C -1.523 172.596 174.700 -0.969 0.000 1.012 558 T CA -1.647 60.111 62.100 -0.570 0.000 0.997 558 T CB 2.023 70.763 68.868 -0.214 0.000 1.136 558 T HN 0.567 8.631 8.240 -0.292 0.000 0.551 559 D N 0.389 120.346 120.400 -0.738 0.000 2.255 559 D HA 0.232 nan 4.640 nan 0.000 0.249 559 D C 0.156 176.344 176.300 -0.186 0.000 1.078 559 D CA -0.538 53.179 54.000 -0.472 0.000 0.896 559 D CB 1.792 42.562 40.800 -0.050 0.000 1.194 559 D HN 0.310 8.413 8.370 -0.445 0.000 0.429 560 H N 5.490 124.515 119.070 -0.075 0.000 2.448 560 H HA -0.094 nan 4.556 nan 0.000 0.292 560 H C 2.050 177.285 175.328 -0.155 0.000 1.035 560 H CA 3.126 59.116 56.048 -0.096 0.000 1.349 560 H CB 0.948 30.691 29.762 -0.032 0.000 1.425 560 H HN 0.345 8.648 8.280 0.182 0.087 0.539 561 D N -1.161 119.157 120.400 -0.137 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.324 177.514 176.300 -0.184 0.000 0.969 561 D CA 3.050 56.945 54.000 -0.175 0.000 0.842 561 D CB -0.265 40.513 40.800 -0.038 0.000 0.957 561 D HN -0.046 8.600 8.370 0.052 -0.245 0.484 562 E N 0.080 120.190 120.200 -0.149 0.000 2.006 562 E HA -0.264 nan 4.350 nan 0.000 0.192 562 E C 1.126 177.584 176.600 -0.237 0.000 0.993 562 E CA 2.451 58.755 56.400 -0.160 0.000 0.808 562 E CB 0.407 30.029 29.700 -0.130 0.000 0.764 562 E HN -0.764 7.755 8.360 -0.091 -0.213 0.449 563 D N -3.165 117.053 120.400 -0.303 0.000 2.178 563 D HA -0.050 nan 4.640 nan 0.000 0.201 563 D C 0.641 176.707 176.300 -0.389 0.000 0.980 563 D CA 1.771 55.575 54.000 -0.326 0.000 0.842 563 D CB 0.587 41.215 40.800 -0.287 0.000 0.948 563 D HN -0.283 7.802 8.370 -0.290 0.110 0.472 564 T N 0.934 115.134 114.554 -0.589 0.000 2.814 564 T HA -0.002 nan 4.350 nan 0.000 0.297 564 T C 0.503 175.037 174.700 -0.278 0.000 0.956 564 T CA 0.494 62.295 62.100 -0.497 0.000 1.123 564 T CB 0.421 68.918 68.868 -0.619 0.000 0.902 564 T HN -0.398 7.345 8.240 -0.675 0.091 0.528 565 V N 4.126 123.925 119.914 -0.190 0.000 2.694 565 V HA -0.030 nan 4.120 nan 0.000 0.306 565 V C -0.762 175.259 176.094 -0.122 0.000 1.054 565 V CA -0.438 61.785 62.300 -0.128 0.000 1.161 565 V CB 0.238 32.011 31.823 -0.084 0.000 0.916 565 V HN -0.308 7.771 8.190 -0.184 0.000 0.490 566 A N 4.785 127.545 122.820 -0.100 0.000 2.303 566 A HA 0.463 nan 4.320 nan 0.000 0.317 566 A C -0.633 176.916 177.584 -0.058 0.000 1.149 566 A CA -0.210 51.777 52.037 -0.084 0.000 0.822 566 A CB 1.101 20.054 19.000 -0.079 0.000 1.131 566 A HN 0.312 8.407 8.150 -0.092 0.000 0.493 567 G N -0.051 108.720 108.800 -0.050 0.000 2.313 567 G HA2 0.014 nan 3.960 nan 0.000 0.296 567 G HA3 0.014 nan 3.960 nan 0.000 0.296 567 G C -2.281 172.600 174.900 -0.031 0.000 1.356 567 G CA -0.097 44.982 45.100 -0.035 0.000 0.833 567 G HN -0.081 8.176 8.290 -0.054 0.000 0.552 568 L N 0.512 121.722 121.223 -0.022 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.503 176.358 176.870 -0.015 0.000 0.982 568 L CA 0.281 55.109 54.840 -0.019 0.000 0.843 568 L CB 1.387 43.436 42.059 -0.016 0.000 1.225 568 L HN 0.277 8.496 8.230 -0.019 0.000 0.412 569 S N 3.758 119.449 115.700 -0.015 0.000 3.576 569 S HA 0.162 nan 4.470 nan 0.000 0.179 569 S C -0.935 173.658 174.600 -0.011 0.000 0.977 569 S CA -0.584 57.609 58.200 -0.012 0.000 1.189 569 S CB 0.840 64.032 63.200 -0.013 0.000 1.443 569 S HN 0.548 8.847 8.310 -0.018 0.000 0.874 570 E N 0.427 120.620 120.200 -0.011 0.000 2.446 570 E HA 0.208 nan 4.350 nan 0.000 0.269 570 E C -1.670 174.926 176.600 -0.007 0.000 0.977 570 E CA -0.303 56.092 56.400 -0.009 0.000 0.854 570 E CB 1.479 31.173 29.700 -0.009 0.000 1.545 570 E HN 0.043 8.396 8.360 -0.012 0.000 0.448 571 N N -0.295 118.402 118.700 -0.005 0.000 2.250 571 N HA -0.136 nan 4.740 nan 0.000 0.256 571 N C -1.422 174.090 175.510 0.003 0.000 1.302 571 N CA 0.076 53.125 53.050 -0.001 0.000 0.894 571 N CB 0.356 38.842 38.487 -0.002 0.000 1.067 571 N HN 0.016 8.392 8.380 -0.007 0.000 0.487 572 A N -1.864 120.960 122.820 0.007 0.000 2.404 572 A HA 0.048 nan 4.320 nan 0.000 0.273 572 A C -1.376 176.215 177.584 0.012 0.000 1.144 572 A CA 0.253 52.296 52.037 0.010 0.000 0.806 572 A CB 0.458 19.465 19.000 0.011 0.000 1.080 572 A HN 0.008 8.162 8.150 0.007 0.000 0.509 573 V N 4.146 124.069 119.914 0.015 0.000 5.000 573 V HA 0.165 nan 4.120 nan 0.000 0.311 573 V C -0.509 175.605 176.094 0.033 0.000 1.608 573 V CA -0.655 61.659 62.300 0.024 0.000 0.814 573 V CB 1.911 33.743 31.823 0.015 0.000 1.241 573 V HN -0.078 8.120 8.190 0.014 0.000 0.451 574 C N 3.731 123.056 119.300 0.042 0.000 3.424 574 C HA 0.232 nan 4.460 nan 0.000 0.577 574 C C 0.178 175.191 174.990 0.038 0.000 1.086 574 C CA -0.318 58.728 59.018 0.047 0.000 1.153 574 C CB -3.324 24.451 27.740 0.058 0.000 1.411 574 C HN 0.461 8.714 8.230 0.038 0.000 0.636 575 S N 3.205 118.923 115.700 0.030 0.000 2.559 575 S HA 0.153 nan 4.470 nan 0.000 0.226 575 S C 0.693 175.312 174.600 0.031 0.000 1.000 575 S CA 1.397 59.613 58.200 0.027 0.000 0.948 575 S CB 1.267 64.474 63.200 0.011 0.000 0.870 575 S HN 0.206 8.444 8.310 0.026 0.087 0.497 576 D N 3.045 123.464 120.400 0.032 0.000 2.103 576 D HA -0.247 nan 4.640 nan 0.000 0.190 576 D C 0.255 176.578 176.300 0.039 0.000 0.997 576 D CA 3.022 57.037 54.000 0.024 0.000 0.833 576 D CB -0.214 40.596 40.800 0.017 0.000 0.961 576 D HN -0.128 8.205 8.370 0.032 0.056 0.447 577 A N -0.776 122.090 122.820 0.076 0.000 2.728 577 A HA 0.093 nan 4.320 nan 0.000 0.258 577 A C 1.269 178.935 177.584 0.136 0.000 1.454 577 A CA -0.196 51.905 52.037 0.107 0.000 1.146 577 A CB -1.292 17.824 19.000 0.193 0.000 0.985 577 A HN -0.154 8.046 8.150 0.084 0.000 0.603 578 V N -2.251 117.712 119.914 0.082 0.000 2.380 578 V HA -0.437 nan 4.120 nan 0.000 0.251 578 V C 1.309 177.512 176.094 0.181 0.000 1.063 578 V CA 2.694 65.036 62.300 0.071 0.000 1.055 578 V CB -1.231 30.558 31.823 -0.057 0.000 0.657 578 V HN 0.212 8.355 8.190 0.047 0.075 0.455 579 S N 2.895 118.716 115.700 0.201 0.000 2.363 579 S HA -0.258 nan 4.470 nan 0.000 0.218 579 S C 1.666 176.665 174.600 0.666 0.000 1.035 579 S CA 3.157 61.611 58.200 0.424 0.000 1.043 579 S CB 0.086 63.374 63.200 0.148 0.000 0.986 579 S HN 0.209 8.469 8.310 0.083 0.100 0.423 580 Y N -2.578 117.931 120.300 0.348 0.000 2.583 580 Y HA 0.029 nan 4.550 nan 0.000 0.293 580 Y C 0.061 176.265 175.900 0.508 0.000 1.157 580 Y CA -0.109 58.172 58.100 0.302 0.000 1.315 580 Y CB -0.326 38.196 38.460 0.104 0.000 1.021 580 Y HN 0.091 8.522 8.280 0.253 0.000 0.536 581 C N -4.816 114.893 119.300 0.682 0.000 3.217 581 C HA 0.401 nan 4.460 nan 0.000 0.220 581 C C -0.839 174.442 174.990 0.486 0.000 2.519 581 C CA 0.005 59.416 59.018 0.655 0.000 1.255 581 C CB 3.196 31.284 27.740 0.579 0.000 1.291 581 C HN -0.570 7.912 8.230 0.598 0.107 0.714 582 G N -0.812 108.201 108.800 0.356 0.000 2.240 582 G HA2 -0.091 nan 3.960 nan 0.000 0.199 582 G HA3 -0.091 nan 3.960 nan 0.000 0.199 582 G C -2.719 172.262 174.900 0.134 0.000 1.342 582 G CA 0.173 45.427 45.100 0.256 0.000 1.145 582 G HN 0.110 8.591 8.290 0.318 0.000 0.477 583 A N -0.332 122.543 122.820 0.091 0.000 2.609 583 A HA 0.241 nan 4.320 nan 0.000 0.291 583 A C -1.841 175.755 177.584 0.021 0.000 1.096 583 A CA -0.843 51.219 52.037 0.041 0.000 0.684 583 A CB 2.472 21.482 19.000 0.015 0.000 1.282 583 A HN 0.055 8.271 8.150 0.110 0.000 0.412 584 R N -0.289 120.211 120.500 0.000 0.000 2.407 584 R HA 0.093 nan 4.340 nan 0.000 0.303 584 R C -0.621 175.669 176.300 -0.017 0.000 0.981 584 R CA 0.079 56.166 56.100 -0.021 0.000 0.905 584 R CB 0.686 30.963 30.300 -0.039 0.000 1.099 584 R HN 0.478 8.750 8.270 0.003 0.000 0.459 585 D N 0.411 120.797 120.400 -0.023 0.000 2.713 585 D HA -0.312 nan 4.640 nan 0.000 0.231 585 D C -1.485 174.812 176.300 -0.004 0.000 1.173 585 D CA 1.502 55.494 54.000 -0.015 0.000 0.628 585 D CB -0.427 40.366 40.800 -0.011 0.000 1.033 585 D HN 0.252 8.599 8.370 -0.038 0.000 0.419 586 D N -2.071 118.331 120.400 0.003 0.000 2.732 586 D HA 0.240 nan 4.640 nan 0.000 0.292 586 D C -1.617 174.699 176.300 0.026 0.000 1.135 586 D CA -1.549 52.455 54.000 0.007 0.000 1.071 586 D CB 2.468 43.266 40.800 -0.002 0.000 1.457 586 D HN -0.444 7.917 8.370 0.007 0.013 0.547 587 R N -0.243 120.272 120.500 0.025 0.000 2.719 587 R HA 0.172 nan 4.340 nan 0.000 0.233 587 R C -0.930 175.417 176.300 0.079 0.000 1.257 587 R CA -0.987 55.148 56.100 0.059 0.000 1.109 587 R CB 2.033 32.357 30.300 0.040 0.000 1.447 587 R HN 0.157 8.430 8.270 0.005 0.000 0.537 588 Y N 1.438 121.747 120.300 0.015 0.000 2.637 588 Y HA 0.145 nan 4.550 nan 0.000 0.350 588 Y C -0.723 175.168 175.900 -0.014 0.000 1.069 588 Y CA -1.697 56.411 58.100 0.014 0.000 1.397 588 Y CB 0.411 38.874 38.460 0.006 0.000 1.163 588 Y HN 0.238 8.653 8.280 0.224 0.000 0.527 589 P HA -0.277 nan 4.420 nan 0.000 0.227 589 P C -1.629 175.567 177.300 -0.173 0.000 1.145 589 P CA 1.388 64.357 63.100 -0.218 0.000 0.769 589 P CB -0.105 31.462 31.700 -0.221 0.000 0.769 590 D N -3.519 116.795 120.400 -0.144 0.000 2.391 590 D HA 0.191 nan 4.640 nan 0.000 0.245 590 D C -0.516 175.789 176.300 0.009 0.000 1.069 590 D CA -2.268 51.695 54.000 -0.061 0.000 0.831 590 D CB 2.579 43.389 40.800 0.015 0.000 1.204 590 D HN -0.523 7.665 8.370 -0.109 0.116 0.503 591 K N 6.326 126.661 120.400 -0.109 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.623 177.119 176.600 -0.173 0.000 1.050 591 K CA 1.936 58.136 56.287 -0.144 0.000 0.927 591 K CB 0.265 32.640 32.500 -0.208 0.000 0.714 591 K HN -0.078 8.077 8.250 -0.157 0.000 0.447 592 K N -2.348 117.895 120.400 -0.261 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.076 176.404 176.600 -0.199 0.000 1.010 592 K CA -0.476 55.579 56.287 -0.387 0.000 0.929 592 K CB 0.575 32.522 32.500 -0.921 0.000 0.998 592 K HN -0.624 7.760 8.250 -0.237 -0.276 0.479 593 A N 2.219 124.950 122.820 -0.148 0.000 2.540 593 A HA -0.059 nan 4.320 nan 0.000 0.239 593 A C -0.138 177.375 177.584 -0.118 0.000 1.061 593 A CA 0.427 52.416 52.037 -0.080 0.000 0.758 593 A CB 0.482 19.520 19.000 0.063 0.000 0.991 593 A HN 0.441 8.491 8.150 -0.167 0.000 0.502 594 M N 3.527 122.899 119.600 -0.379 0.000 2.427 594 M HA -0.276 nan 4.480 nan 0.000 0.345 594 M C 0.894 176.901 176.300 -0.488 0.000 1.653 594 M CA 1.928 56.756 55.300 -0.788 0.000 1.138 594 M CB -0.572 31.070 32.600 -1.597 0.000 1.995 594 M HN 0.424 8.478 8.290 -0.393 0.000 0.459 595 G N 1.418 110.186 108.800 -0.053 0.000 3.134 595 G HA2 -0.196 nan 3.960 nan 0.000 0.195 595 G HA3 -0.196 nan 3.960 nan 0.000 0.195 595 G C -0.683 174.399 174.900 0.304 0.000 1.054 595 G CA -0.529 44.759 45.100 0.314 0.000 0.828 595 G HN -0.058 8.221 8.290 -0.018 0.000 0.462 596 F N 5.391 125.358 119.950 0.028 0.000 2.548 596 F HA -0.147 nan 4.527 nan 0.000 0.403 596 F C -1.785 173.847 175.800 -0.279 0.000 1.004 596 F CA -0.266 57.642 58.000 -0.154 0.000 1.177 596 F CB 0.836 39.735 39.000 -0.168 0.000 0.974 596 F HN -0.324 8.145 8.300 0.282 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.039 176.784 177.300 -0.925 0.000 1.151 597 P CA 2.011 64.097 63.100 -1.689 0.000 0.787 597 P CB 0.143 30.782 31.700 -1.768 0.000 0.788 598 F N -2.297 117.397 119.950 -0.426 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.063 175.716 175.800 -0.036 0.000 1.204 598 F CA -0.961 56.830 58.000 -0.347 0.000 1.417 598 F CB -1.969 36.605 39.000 -0.709 0.000 1.001 598 F HN 0.129 7.794 8.300 -0.835 0.134 0.508 599 D N 0.305 120.818 120.400 0.188 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.005 176.300 0.189 0.000 0.970 599 D CA 2.439 56.598 54.000 0.265 0.000 0.837 599 D CB 0.245 41.239 40.800 0.323 0.000 0.981 599 D HN -0.080 8.270 8.370 0.141 0.105 0.475 600 R N -1.413 119.176 120.500 0.148 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.318 174.980 176.300 -0.003 0.000 1.219 600 R CA -1.107 55.007 56.100 0.024 0.000 1.121 600 R CB 1.695 31.913 30.300 -0.136 0.000 1.408 600 R HN -0.888 7.520 8.270 0.230 0.000 0.559 601 K N -0.227 120.149 120.400 -0.039 0.000 2.401 601 K HA -0.130 nan 4.320 nan 0.000 0.278 601 K C -0.153 176.434 176.600 -0.023 0.000 1.018 601 K CA 0.890 57.160 56.287 -0.029 0.000 0.981 601 K CB 0.129 32.609 32.500 -0.033 0.000 0.933 601 K HN 0.183 8.395 8.250 -0.063 0.000 0.477 602 I N 6.723 127.268 120.570 -0.042 0.000 2.382 602 I HA -0.006 nan 4.170 nan 0.000 0.286 602 I C -0.965 175.151 176.117 -0.001 0.000 1.002 602 I CA -0.709 60.558 61.300 -0.055 0.000 1.135 602 I CB 1.051 38.909 38.000 -0.237 0.000 1.288 602 I HN 0.327 8.852 8.210 -0.040 -0.339 0.448 603 E N 6.378 126.606 120.200 0.046 0.000 2.358 603 E HA -0.106 nan 4.350 nan 0.000 0.195 603 E C -0.176 176.455 176.600 0.052 0.000 1.010 603 E CA 0.940 57.368 56.400 0.047 0.000 0.856 603 E CB 0.371 30.108 29.700 0.061 0.000 0.795 603 E HN 0.453 8.858 8.360 0.076 0.000 0.504 604 A N -2.051 120.814 122.820 0.075 0.000 2.340 604 A HA 0.200 nan 4.320 nan 0.000 0.268 604 A C 0.241 177.859 177.584 0.058 0.000 1.100 604 A CA 0.402 52.493 52.037 0.090 0.000 0.803 604 A CB 0.694 19.794 19.000 0.167 0.000 1.043 604 A HN -0.299 7.838 8.150 0.083 0.063 0.488 605 R N -1.200 119.332 120.500 0.053 0.000 2.254 605 R HA 0.085 nan 4.340 nan 0.000 0.195 605 R C 0.210 176.528 176.300 0.031 0.000 0.957 605 R CA -0.179 55.939 56.100 0.031 0.000 1.024 605 R CB 0.067 30.380 30.300 0.021 0.000 0.952 605 R HN -0.129 8.575 8.270 0.061 -0.398 0.484 606 T N -2.199 112.390 114.554 0.059 0.000 2.876 606 T HA 0.322 nan 4.350 nan 0.000 0.289 606 T C -0.589 174.191 174.700 0.134 0.000 1.014 606 T CA -1.821 60.316 62.100 0.061 0.000 0.986 606 T CB 2.762 71.650 68.868 0.034 0.000 1.021 606 T HN -0.663 7.840 8.240 0.076 -0.217 0.458 607 A N 7.845 130.750 122.820 0.143 0.000 2.084 607 A HA -0.235 nan 4.320 nan 0.000 0.221 607 A C 0.607 178.341 177.584 0.249 0.000 1.161 607 A CA 2.899 55.115 52.037 0.298 0.000 0.653 607 A CB -0.239 18.902 19.000 0.236 0.000 0.802 607 A HN 0.522 8.720 8.150 0.080 0.000 0.457 608 A N -2.422 120.463 122.820 0.107 0.000 1.929 608 A HA -0.205 nan 4.320 nan 0.000 0.216 608 A C 2.384 180.054 177.584 0.144 0.000 1.176 608 A CA 2.290 54.374 52.037 0.078 0.000 0.628 608 A CB 0.126 19.141 19.000 0.025 0.000 0.816 608 A HN -0.284 7.880 8.150 0.067 0.027 0.444 609 E N -0.166 120.135 120.200 0.169 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.754 178.501 176.600 0.244 0.000 0.988 609 E CA 2.341 58.844 56.400 0.172 0.000 0.811 609 E CB -0.138 29.657 29.700 0.158 0.000 0.746 609 E HN -0.443 7.900 8.360 0.159 0.112 0.466 610 F N -2.644 117.399 119.950 0.155 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.543 175.385 175.800 0.214 0.000 1.154 610 F CA 0.589 58.699 58.000 0.185 0.000 1.457 610 F CB 0.755 39.913 39.000 0.264 0.000 1.106 610 F HN -0.926 7.635 8.300 0.464 0.018 0.585 611 L N 1.130 122.504 121.223 0.252 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.910 175.979 176.870 0.031 0.000 1.141 611 L CA 0.135 55.079 54.840 0.174 0.000 0.905 611 L CB 0.310 42.447 42.059 0.130 0.000 1.202 611 L HN -0.706 7.488 8.230 0.261 0.193 0.473 612 T N 3.577 118.114 114.554 -0.028 0.000 2.902 612 T HA 0.483 nan 4.350 nan 0.000 0.280 612 T C -0.678 174.037 174.700 0.026 0.000 0.992 612 T CA -2.937 59.142 62.100 -0.035 0.000 1.015 612 T CB -0.088 68.722 68.868 -0.096 0.000 1.044 612 T HN -0.418 7.783 8.240 -0.064 0.000 0.520 613 P HA -0.046 nan 4.420 nan 0.000 0.236 613 P C -0.991 176.347 177.300 0.064 0.000 1.172 613 P CA 1.543 64.667 63.100 0.039 0.000 0.759 613 P CB -0.403 31.309 31.700 0.019 0.000 0.843 614 N N -6.260 112.488 118.700 0.080 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.799 173.780 175.510 0.114 0.000 1.165 614 N CA -1.020 52.106 53.050 0.126 0.000 0.873 614 N CB 0.135 38.749 38.487 0.212 0.000 1.125 614 N HN 0.195 8.534 8.380 0.056 0.074 0.513 615 M N -0.771 118.914 119.600 0.141 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.461 175.021 176.300 0.302 0.000 1.229 615 M CA -0.356 55.106 55.300 0.269 0.000 0.860 615 M CB 5.334 38.144 32.600 0.351 0.000 1.741 615 M HN -0.004 8.209 8.290 0.123 0.150 0.462 616 G N 0.202 109.241 108.800 0.398 0.000 2.635 616 G HA2 0.222 nan 3.960 nan 0.000 0.295 616 G HA3 0.222 nan 3.960 nan 0.000 0.295 616 G C -3.001 171.936 174.900 0.062 0.000 1.359 616 G CA 0.403 45.598 45.100 0.159 0.000 1.232 616 G HN 0.234 8.931 8.290 0.679 0.000 0.597 617 L N 3.384 124.467 121.223 -0.233 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.214 176.870 -0.038 0.000 1.065 617 L CA -0.407 54.282 54.840 -0.251 0.000 0.806 617 L CB 1.184 42.992 42.059 -0.418 0.000 1.175 617 L HN 0.264 8.348 8.230 -0.243 0.000 0.431 618 T N 6.329 120.920 114.554 0.062 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.303 173.445 174.700 0.080 0.000 1.033 618 T CA -0.662 61.487 62.100 0.082 0.000 0.991 618 T CB 0.906 69.862 68.868 0.147 0.000 0.981 618 T HN 0.449 8.641 8.240 0.114 0.116 0.457 619 D N 6.189 126.610 120.400 0.036 0.000 2.371 619 D HA 0.044 nan 4.640 nan 0.000 0.256 619 D C -0.726 175.607 176.300 0.055 0.000 1.193 619 D CA -0.166 53.852 54.000 0.030 0.000 0.881 619 D CB 0.272 41.059 40.800 -0.021 0.000 1.143 619 D HN 0.212 8.593 8.370 0.018 0.000 0.473 620 I N -3.729 116.895 120.570 0.089 0.000 2.785 620 I HA 0.482 nan 4.170 nan 0.000 0.302 620 I C -1.458 174.728 176.117 0.114 0.000 1.069 620 I CA -2.874 58.472 61.300 0.077 0.000 1.045 620 I CB 3.397 41.425 38.000 0.048 0.000 1.236 620 I HN -0.436 7.843 8.210 0.116 0.000 0.429 621 K N 1.192 121.629 120.400 0.062 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.008 175.583 176.600 -0.016 0.000 0.961 621 K CA -2.335 54.000 56.287 0.080 0.000 0.876 621 K CB 1.817 34.344 32.500 0.046 0.000 1.077 621 K HN 0.426 8.580 8.250 0.025 0.111 0.440 622 I N 1.126 121.693 120.570 -0.004 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.069 174.045 176.117 -0.005 0.000 1.032 622 I CA -0.973 60.265 61.300 -0.103 0.000 1.073 622 I CB 2.960 40.784 38.000 -0.293 0.000 1.251 622 I HN 0.719 9.003 8.210 0.123 0.000 0.426 623 K N 3.439 123.836 120.400 -0.006 0.000 2.471 623 K HA 0.553 nan 4.320 nan 0.000 0.252 623 K C -1.593 175.068 176.600 0.101 0.000 0.938 623 K CA -2.372 53.935 56.287 0.033 0.000 0.796 623 K CB 3.033 35.514 32.500 -0.032 0.000 1.161 623 K HN 0.509 8.740 8.250 -0.033 0.000 0.425 624 F N 6.660 126.626 119.950 0.026 0.000 2.502 624 F HA -0.048 nan 4.527 nan 0.000 0.371 624 F C -1.470 174.424 175.800 0.157 0.000 1.083 624 F CA -1.159 56.872 58.000 0.052 0.000 1.174 624 F CB 0.546 39.546 39.000 -0.000 0.000 1.096 624 F HN 0.302 8.633 8.300 0.269 0.130 0.545 625 H N 10.816 129.518 119.070 -0.612 0.000 3.215 625 H HA -0.054 nan 4.556 nan 0.000 0.253 625 H C -0.313 174.368 175.328 -1.079 0.000 1.102 625 H CA 0.000 55.704 56.048 -0.573 0.000 1.482 625 H CB -0.182 29.354 29.762 -0.377 0.000 1.542 625 H HN 0.168 8.130 8.280 -0.355 0.105 0.498 626 G N 0.000 108.210 108.800 -0.984 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 44.667 45.100 -0.722 0.000 0.502 626 G HN 0.000 7.993 8.290 -0.495 0.000 0.925