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_H 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 0.000 174.540 174.700 -0.267 0.000 1.109 1 T CA 0.000 62.015 62.100 -0.141 0.000 1.349 1 T CB 0.000 68.818 68.868 -0.083 0.000 0.612 2 V N 1.844 121.576 119.914 -0.304 0.000 2.759 2 V HA -0.139 nan 4.120 nan 0.000 0.256 2 V C 1.220 177.150 176.094 -0.273 0.000 1.080 2 V CA 2.438 64.508 62.300 -0.383 0.000 1.101 2 V CB -0.522 31.094 31.823 -0.345 0.000 0.698 2 V HN 0.557 8.605 8.190 -0.238 0.000 0.477 3 A N 0.177 122.893 122.820 -0.174 0.000 1.835 3 A HA -0.313 nan 4.320 nan 0.000 0.215 3 A C 0.531 178.065 177.584 -0.083 0.000 1.199 3 A CA 3.535 55.503 52.037 -0.114 0.000 0.615 3 A CB -0.849 18.108 19.000 -0.071 0.000 0.838 3 A HN -0.083 7.961 8.150 -0.156 0.012 0.444 4 D N -1.969 118.403 120.400 -0.046 0.000 2.263 4 D HA -0.266 nan 4.640 nan 0.000 0.208 4 D C 2.157 178.510 176.300 0.088 0.000 0.971 4 D CA 2.836 56.857 54.000 0.035 0.000 0.867 4 D CB -0.653 40.192 40.800 0.075 0.000 0.929 4 D HN 0.055 8.393 8.370 -0.054 0.000 0.492 5 K N 0.381 120.730 120.400 -0.085 0.000 2.001 5 K HA -0.455 nan 4.320 nan 0.000 0.214 5 K C 2.401 179.023 176.600 0.038 0.000 1.050 5 K CA 3.062 59.233 56.287 -0.192 0.000 0.934 5 K CB -0.160 31.740 32.500 -1.000 0.000 0.718 5 K HN -0.097 8.007 8.250 -0.203 0.024 0.443 6 Q N -2.281 117.466 119.800 -0.088 0.000 2.061 6 Q HA -0.322 nan 4.340 nan 0.000 0.204 6 Q C 2.476 178.491 176.000 0.025 0.000 0.984 6 Q CA 2.860 58.631 55.803 -0.054 0.000 0.846 6 Q CB -0.004 28.664 28.738 -0.116 0.000 0.902 6 Q HN -0.589 7.571 8.270 -0.184 0.000 0.421 7 A N -3.531 119.317 122.820 0.048 0.000 2.248 7 A HA -0.151 nan 4.320 nan 0.000 0.210 7 A C 0.779 178.450 177.584 0.146 0.000 1.174 7 A CA 1.592 53.680 52.037 0.085 0.000 0.750 7 A CB -0.671 18.371 19.000 0.070 0.000 0.780 7 A HN -0.057 8.044 8.150 0.018 0.060 0.478 8 R N -3.344 117.283 120.500 0.211 0.000 2.121 8 R HA 0.081 nan 4.340 nan 0.000 0.206 8 R C 1.905 178.358 176.300 0.255 0.000 1.094 8 R CA 2.098 58.342 56.100 0.241 0.000 1.055 8 R CB 0.650 31.131 30.300 0.301 0.000 0.964 8 R HN -0.595 7.659 8.270 0.237 0.158 0.473 9 L N 0.249 121.647 121.223 0.292 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.312 179.392 176.870 0.350 0.000 1.071 9 L CA 3.803 58.839 54.840 0.327 0.000 0.746 9 L CB -0.089 42.129 42.059 0.263 0.000 0.890 9 L HN -0.603 7.811 8.230 0.306 0.000 0.432 10 M N -2.711 116.969 119.600 0.134 0.000 2.117 10 M HA -0.283 nan 4.480 nan 0.000 0.262 10 M C -1.109 175.424 176.300 0.387 0.000 1.065 10 M CA 5.607 60.973 55.300 0.109 0.000 1.114 10 M CB -2.424 29.987 32.600 -0.315 0.000 1.361 10 M HN -0.560 7.772 8.290 0.071 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.320 177.773 177.300 0.255 0.000 1.151 11 P CA 2.914 66.171 63.100 0.261 0.000 0.849 11 P CB -0.587 31.228 31.700 0.191 0.000 0.787 12 L N -5.435 115.959 121.223 0.286 0.000 2.093 12 L HA -0.248 nan 4.340 nan 0.000 0.208 12 L C 1.011 177.995 176.870 0.190 0.000 1.085 12 L CA 1.975 56.942 54.840 0.211 0.000 0.755 12 L CB -0.054 42.123 42.059 0.198 0.000 0.904 12 L HN -0.742 7.590 8.230 0.316 0.088 0.435 13 F N -5.425 114.638 119.950 0.188 0.000 2.802 13 F HA -0.131 nan 4.527 nan 0.000 0.300 13 F C 0.565 176.446 175.800 0.136 0.000 1.168 13 F CA 1.044 59.166 58.000 0.204 0.000 1.433 13 F CB -0.290 38.901 39.000 0.317 0.000 1.115 13 F HN -0.631 8.085 8.300 0.814 0.073 0.582 14 K N 0.565 121.114 120.400 0.248 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.323 175.079 176.600 -0.330 0.000 1.126 14 K CA 0.628 56.829 56.287 -0.143 0.000 1.005 14 K CB -1.289 31.182 32.500 -0.049 0.000 1.336 14 K HN -0.346 7.948 8.250 0.350 0.166 0.369 15 H N -1.834 117.210 119.070 -0.044 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.606 174.662 175.328 -0.100 0.000 1.347 15 H CA -0.127 55.862 56.048 -0.098 0.000 1.254 15 H CB -3.366 26.318 29.762 -0.130 0.000 1.456 15 H HN 0.241 8.280 8.280 -0.360 0.025 0.453 16 L N -0.339 120.832 121.223 -0.088 0.000 1.933 16 L HA -0.337 nan 4.340 nan 0.000 0.220 16 L C 1.131 177.935 176.870 -0.110 0.000 1.078 16 L CA 3.099 57.840 54.840 -0.165 0.000 0.773 16 L CB -0.312 41.567 42.059 -0.299 0.000 0.890 16 L HN -0.137 8.021 8.230 -0.120 0.000 0.434 17 T N 0.501 115.018 114.554 -0.062 0.000 2.668 17 T HA -0.539 nan 4.350 nan 0.000 0.265 17 T C 2.005 176.698 174.700 -0.011 0.000 1.041 17 T CA 4.353 66.468 62.100 0.024 0.000 1.160 17 T CB -1.052 67.872 68.868 0.093 0.000 0.857 17 T HN 0.303 8.479 8.240 -0.106 0.000 0.455 18 A N 0.826 123.631 122.820 -0.025 0.000 2.186 18 A HA -0.185 nan 4.320 nan 0.000 0.219 18 A C 2.339 179.889 177.584 -0.057 0.000 1.159 18 A CA 2.317 54.331 52.037 -0.037 0.000 0.680 18 A CB -1.135 17.841 19.000 -0.040 0.000 0.787 18 A HN 0.060 8.179 8.150 -0.021 0.019 0.467 19 L N -2.927 118.252 121.223 -0.074 0.000 2.191 19 L HA -0.344 nan 4.340 nan 0.000 0.212 19 L C 1.670 178.464 176.870 -0.126 0.000 1.103 19 L CA 2.216 56.995 54.840 -0.103 0.000 0.769 19 L CB -0.403 41.577 42.059 -0.133 0.000 0.908 19 L HN -0.151 7.983 8.230 -0.072 0.053 0.438 20 T N -2.610 111.878 114.554 -0.110 0.000 2.737 20 T HA -0.275 nan 4.350 nan 0.000 0.269 20 T C 0.248 174.883 174.700 -0.107 0.000 1.040 20 T CA 2.752 64.783 62.100 -0.116 0.000 1.142 20 T CB -0.081 68.748 68.868 -0.066 0.000 0.861 20 T HN -0.164 7.870 8.240 -0.083 0.156 0.456 21 R N -0.309 120.141 120.500 -0.082 0.000 2.338 21 R HA 0.173 nan 4.340 nan 0.000 0.317 21 R C -0.918 175.337 176.300 -0.075 0.000 0.968 21 R CA -0.174 55.882 56.100 -0.074 0.000 0.849 21 R CB 1.378 31.645 30.300 -0.054 0.000 1.128 21 R HN -0.749 7.463 8.270 -0.072 0.015 0.448 22 E N 3.798 123.951 120.200 -0.077 0.000 3.501 22 E HA 0.140 nan 4.350 nan 0.000 0.101 22 E C -1.903 174.662 176.600 -0.058 0.000 1.422 22 E CA -1.011 55.349 56.400 -0.067 0.000 0.839 22 E CB 3.077 32.731 29.700 -0.076 0.000 1.919 22 E HN 0.253 8.498 8.360 -0.083 0.066 0.591 23 K N 0.502 120.869 120.400 -0.055 0.000 2.502 23 K HA 0.270 nan 4.320 nan 0.000 0.254 23 K C -1.878 174.695 176.600 -0.047 0.000 0.947 23 K CA -0.844 55.416 56.287 -0.045 0.000 0.834 23 K CB 1.055 33.535 32.500 -0.034 0.000 1.112 23 K HN 0.104 8.319 8.250 -0.058 0.000 0.427 24 L N 5.091 126.287 121.223 -0.045 0.000 2.564 24 L HA 0.422 nan 4.340 nan 0.000 0.259 24 L C -1.795 175.054 176.870 -0.035 0.000 1.101 24 L CA -1.193 53.620 54.840 -0.044 0.000 0.900 24 L CB 1.373 43.395 42.059 -0.062 0.000 1.110 24 L HN 0.142 8.346 8.230 -0.043 0.000 0.468 25 P HA -0.002 nan 4.420 nan 0.000 0.216 25 P C -1.215 176.073 177.300 -0.020 0.000 1.150 25 P CA 1.301 64.388 63.100 -0.022 0.000 0.837 25 P CB 0.360 32.050 31.700 -0.017 0.000 0.786 26 L N -0.765 120.446 121.223 -0.020 0.000 2.476 26 L HA 0.257 nan 4.340 nan 0.000 0.269 26 L C 0.398 177.257 176.870 -0.019 0.000 0.965 26 L CA -0.936 53.893 54.840 -0.017 0.000 0.845 26 L CB 2.414 44.466 42.059 -0.012 0.000 1.259 26 L HN -0.710 7.482 8.230 -0.020 0.026 0.403 27 D N 4.055 124.442 120.400 -0.021 0.000 2.203 27 D HA -0.441 nan 4.640 nan 0.000 0.199 27 D C 0.790 177.079 176.300 -0.017 0.000 0.997 27 D CA 3.007 56.993 54.000 -0.023 0.000 0.863 27 D CB -0.221 40.568 40.800 -0.020 0.000 0.928 27 D HN 0.626 8.985 8.370 -0.020 0.000 0.458 28 Q N -0.688 119.106 119.800 -0.011 0.000 2.242 28 Q HA -0.356 nan 4.340 nan 0.000 0.211 28 Q C 2.281 178.279 176.000 -0.004 0.000 0.992 28 Q CA 2.475 58.275 55.803 -0.006 0.000 0.889 28 Q CB -1.159 27.577 28.738 -0.004 0.000 0.913 28 Q HN 0.255 8.482 8.270 -0.011 0.036 0.422 29 R N -0.925 119.571 120.500 -0.006 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.492 177.790 176.300 -0.003 0.000 1.144 29 R CA 1.999 58.097 56.100 -0.003 0.000 0.961 29 R CB -0.304 29.991 30.300 -0.007 0.000 0.877 29 R HN -0.589 7.652 8.270 -0.009 0.024 0.444 30 D N -1.730 118.664 120.400 -0.010 0.000 2.590 30 D HA 0.324 nan 4.640 nan 0.000 0.280 30 D C -0.283 176.015 176.300 -0.003 0.000 1.197 30 D CA -0.592 53.402 54.000 -0.009 0.000 0.967 30 D CB -0.216 40.572 40.800 -0.020 0.000 0.987 30 D HN -0.193 8.153 8.370 -0.015 0.016 0.508 31 E N 1.838 122.039 120.200 0.002 0.000 2.197 31 E HA -0.545 nan 4.350 nan 0.000 0.205 31 E C 1.843 178.448 176.600 0.008 0.000 1.029 31 E CA 3.501 59.904 56.400 0.005 0.000 0.828 31 E CB -0.510 29.195 29.700 0.008 0.000 0.737 31 E HN -0.306 7.986 8.360 0.002 0.069 0.464 32 R N -1.678 118.828 120.500 0.010 0.000 2.143 32 R HA -0.308 nan 4.340 nan 0.000 0.239 32 R C 1.541 177.847 176.300 0.010 0.000 1.126 32 R CA 2.262 58.370 56.100 0.013 0.000 0.927 32 R CB -0.266 30.044 30.300 0.016 0.000 0.860 32 R HN 0.095 8.383 8.270 0.010 -0.012 0.433 33 L N -3.612 117.613 121.223 0.004 0.000 2.627 33 L HA 0.141 nan 4.340 nan 0.000 0.232 33 L C 0.215 177.083 176.870 -0.003 0.000 1.150 33 L CA -0.901 53.938 54.840 -0.001 0.000 0.917 33 L CB -0.957 41.098 42.059 -0.006 0.000 1.104 33 L HN -0.117 8.015 8.230 0.000 0.098 0.445 34 K N 0.395 120.796 120.400 0.001 0.000 2.163 34 K HA -0.460 nan 4.320 nan 0.000 0.222 34 K C 1.138 177.740 176.600 0.002 0.000 0.990 34 K CA 2.849 59.137 56.287 0.002 0.000 0.959 34 K CB -1.484 31.020 32.500 0.007 0.000 0.882 34 K HN -0.579 7.586 8.250 0.002 0.086 0.472 35 G N -3.541 105.263 108.800 0.006 0.000 3.393 35 G HA2 0.100 nan 3.960 nan 0.000 0.255 35 G HA3 0.100 nan 3.960 nan 0.000 0.255 35 G C -1.752 173.155 174.900 0.011 0.000 1.097 35 G CA -0.729 44.378 45.100 0.011 0.000 0.780 35 G HN 0.087 8.344 8.290 0.006 0.038 0.540 36 V N -0.048 119.867 119.914 0.001 0.000 2.483 36 V HA 0.336 nan 4.120 nan 0.000 0.297 36 V C -1.521 174.563 176.094 -0.017 0.000 1.027 36 V CA -0.633 61.664 62.300 -0.004 0.000 0.855 36 V CB 0.803 32.618 31.823 -0.013 0.000 0.995 36 V HN -0.547 7.564 8.190 -0.003 0.078 0.424 37 G N 7.329 116.119 108.800 -0.015 0.000 5.181 37 G HA2 0.160 nan 3.960 nan 0.000 0.208 37 G HA3 0.160 nan 3.960 nan 0.000 0.208 37 G C -0.244 174.645 174.900 -0.019 0.000 0.786 37 G CA 1.047 46.130 45.100 -0.029 0.000 0.803 37 G HN 0.385 8.674 8.290 -0.002 0.000 0.404 38 I N -4.047 116.523 120.570 0.001 0.000 3.855 38 I HA 0.151 nan 4.170 nan 0.000 0.327 38 I C -1.147 174.998 176.117 0.046 0.000 1.359 38 I CA -0.125 61.192 61.300 0.029 0.000 1.142 38 I CB -0.129 37.901 38.000 0.051 0.000 1.041 38 I HN -0.418 7.793 8.210 0.001 0.000 0.403 39 L N 2.439 123.663 121.223 0.002 0.000 2.427 39 L HA 0.494 nan 4.340 nan 0.000 0.264 39 L C -2.624 174.220 176.870 -0.044 0.000 0.989 39 L CA -2.957 51.873 54.840 -0.017 0.000 0.865 39 L CB 2.736 44.725 42.059 -0.116 0.000 1.209 39 L HN -0.524 7.612 8.230 -0.028 0.078 0.430 40 P HA 0.348 nan 4.420 nan 0.000 0.280 40 P C -0.829 176.449 177.300 -0.036 0.000 1.300 40 P CA -0.693 62.388 63.100 -0.032 0.000 0.785 40 P CB -0.096 31.593 31.700 -0.018 0.000 0.874 41 R N 5.685 126.156 120.500 -0.050 0.000 3.559 41 R HA -0.419 nan 4.340 nan 0.000 0.569 41 R C 0.090 176.372 176.300 -0.030 0.000 0.241 41 R CA 1.481 57.555 56.100 -0.044 0.000 1.762 41 R CB -2.202 28.076 30.300 -0.038 0.000 0.881 41 R HN -0.003 8.230 8.270 -0.061 0.000 0.615 42 G N 0.611 109.402 108.800 -0.015 0.000 3.263 42 G HA2 -0.024 nan 3.960 nan 0.000 0.246 42 G HA3 -0.024 nan 3.960 nan 0.000 0.246 42 G C -0.913 173.987 174.900 -0.000 0.000 0.982 42 G CA -0.480 44.617 45.100 -0.005 0.000 1.897 42 G HN 0.350 8.631 8.290 -0.015 0.000 0.624 43 T N -0.621 113.934 114.554 0.002 0.000 2.794 43 T HA 0.177 nan 4.350 nan 0.000 0.304 43 T C 1.195 175.918 174.700 0.039 0.000 0.973 43 T CA -1.633 60.480 62.100 0.021 0.000 0.972 43 T CB 0.498 69.378 68.868 0.021 0.000 0.952 43 T HN -0.525 7.618 8.240 -0.009 0.091 0.509 44 L N 6.245 127.497 121.223 0.049 0.000 2.949 44 L HA -0.104 nan 4.340 nan 0.000 0.263 44 L C -0.264 176.660 176.870 0.090 0.000 1.190 44 L CA -0.143 54.722 54.840 0.042 0.000 1.022 44 L CB -1.520 40.537 42.059 -0.003 0.000 1.313 44 L HN 0.439 8.703 8.230 0.055 0.000 0.413 45 F N -1.640 118.262 119.950 -0.080 0.000 2.121 45 F HA -0.402 nan 4.527 nan 0.000 0.470 45 F C -1.721 174.055 175.800 -0.040 0.000 1.232 45 F CA 0.033 57.964 58.000 -0.116 0.000 1.518 45 F CB -0.262 38.637 39.000 -0.170 0.000 2.410 45 F HN -0.660 7.737 8.300 0.160 0.000 0.729 46 S N 5.561 121.164 115.700 -0.161 0.000 2.430 46 S HA 0.223 nan 4.470 nan 0.000 0.289 46 S C 1.578 175.721 174.600 -0.762 0.000 1.143 46 S CA -1.399 56.602 58.200 -0.331 0.000 1.067 46 S CB 1.170 64.333 63.200 -0.061 0.000 0.964 46 S HN 0.322 8.747 8.310 0.191 0.000 0.485 47 C N 9.321 127.889 119.300 -1.219 0.000 2.419 47 C HA -0.182 nan 4.460 nan 0.000 0.283 47 C C 0.639 174.974 174.990 -1.092 0.000 1.373 47 C CA 2.282 60.411 59.018 -1.481 0.000 1.781 47 C CB -1.136 25.719 27.740 -1.475 0.000 1.886 47 C HN 1.124 8.774 8.230 -0.966 0.000 0.520 48 F N -5.222 114.533 119.950 -0.324 0.000 2.695 48 F HA 0.148 nan 4.527 nan 0.000 0.303 48 F C -0.533 175.076 175.800 -0.319 0.000 1.091 48 F CA -0.752 57.041 58.000 -0.346 0.000 1.300 48 F CB -0.080 38.720 39.000 -0.332 0.000 1.071 48 F HN -0.662 7.317 8.300 -0.488 0.029 0.578 49 H N 2.075 121.102 119.070 -0.072 0.000 3.026 49 H HA -0.079 nan 4.556 nan 0.000 0.289 49 H C 0.887 176.205 175.328 -0.017 0.000 1.022 49 H CA 0.359 56.411 56.048 0.007 0.000 1.477 49 H CB 1.245 31.000 29.762 -0.012 0.000 1.510 49 H HN -0.720 7.451 8.280 0.014 0.117 0.535 50 A N 8.063 130.662 122.820 -0.369 0.000 1.927 50 A HA -0.436 nan 4.320 nan 0.000 0.220 50 A C 1.670 179.243 177.584 -0.018 0.000 1.185 50 A CA 3.415 55.403 52.037 -0.082 0.000 0.639 50 A CB -0.258 18.856 19.000 0.190 0.000 0.820 50 A HN 0.550 8.585 8.150 -0.391 -0.119 0.451 51 R N -3.268 117.201 120.500 -0.051 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.210 178.570 176.300 0.100 0.000 1.123 51 R CA 2.969 59.088 56.100 0.031 0.000 0.975 51 R CB -0.840 29.482 30.300 0.035 0.000 0.866 51 R HN 0.076 8.197 8.270 -0.205 0.026 0.446 52 H N -0.408 118.791 119.070 0.216 0.000 2.470 52 H HA -0.048 nan 4.556 nan 0.000 0.289 52 H C 2.800 178.226 175.328 0.163 0.000 1.033 52 H CA 1.830 58.008 56.048 0.217 0.000 1.331 52 H CB -0.409 29.602 29.762 0.415 0.000 1.414 52 H HN 0.210 8.496 8.280 0.066 0.034 0.545 53 L N -0.614 120.755 121.223 0.242 0.000 2.072 53 L HA -0.316 nan 4.340 nan 0.000 0.205 53 L C 1.576 178.536 176.870 0.150 0.000 1.079 53 L CA 2.574 57.522 54.840 0.181 0.000 0.752 53 L CB -0.605 41.524 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 -0.704 122.190 122.820 0.123 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.111 179.739 177.584 0.075 0.000 1.191 54 A CA 3.268 55.366 52.037 0.102 0.000 0.623 54 A CB -1.103 17.952 19.000 0.092 0.000 0.826 54 A HN -0.452 7.768 8.150 0.117 0.000 0.444 55 E N -1.647 118.604 120.200 0.085 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.481 179.054 176.600 -0.044 0.000 1.004 55 E CA 2.990 59.419 56.400 0.048 0.000 0.805 55 E CB -0.122 29.642 29.700 0.107 0.000 0.744 55 E HN 0.321 8.645 8.360 0.123 0.109 0.451 56 A N -2.064 120.702 122.820 -0.089 0.000 2.019 56 A HA -0.183 nan 4.320 nan 0.000 0.219 56 A C 2.123 179.385 177.584 -0.536 0.000 1.164 56 A CA 2.904 54.727 52.037 -0.357 0.000 0.644 56 A CB -0.692 18.102 19.000 -0.345 0.000 0.805 56 A HN -0.058 7.976 8.150 0.005 0.119 0.449 57 T N 0.455 114.946 114.554 -0.105 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.733 176.472 174.700 0.065 0.000 1.093 57 T CA 3.681 65.860 62.100 0.132 0.000 1.129 57 T CB -0.707 68.312 68.868 0.251 0.000 0.899 57 T HN -0.065 8.015 8.240 -0.000 0.160 0.491 58 E N 2.724 122.926 120.200 0.004 0.000 2.049 58 E HA -0.340 nan 4.350 nan 0.000 0.198 58 E C 1.613 178.203 176.600 -0.017 0.000 1.007 58 E CA 3.316 59.718 56.400 0.004 0.000 0.809 58 E CB -0.572 29.126 29.700 -0.004 0.000 0.749 58 E HN -0.433 7.928 8.360 0.002 0.000 0.450 59 L N -1.262 119.894 121.223 -0.111 0.000 2.093 59 L HA -0.339 nan 4.340 nan 0.000 0.208 59 L C 2.428 179.260 176.870 -0.063 0.000 1.085 59 L CA 3.793 58.557 54.840 -0.126 0.000 0.755 59 L CB -0.249 41.678 42.059 -0.220 0.000 0.904 59 L HN -0.651 7.425 8.230 -0.153 0.062 0.435 60 Y N -2.274 118.093 120.300 0.111 0.000 2.163 60 Y HA -0.386 nan 4.550 nan 0.000 0.288 60 Y C 2.354 178.397 175.900 0.238 0.000 1.136 60 Y CA 3.242 61.457 58.100 0.191 0.000 1.147 60 Y CB -1.456 37.128 38.460 0.206 0.000 0.987 60 Y HN 0.200 8.110 8.280 -0.298 0.191 0.509 61 V N -4.093 115.979 119.914 0.263 0.000 2.427 61 V HA -0.388 nan 4.120 nan 0.000 0.248 61 V C 1.747 177.930 176.094 0.148 0.000 1.051 61 V CA 2.580 64.987 62.300 0.178 0.000 1.048 61 V CB -1.369 30.509 31.823 0.092 0.000 0.666 61 V HN -0.121 8.192 8.190 0.204 0.000 0.456 62 A N 0.855 123.738 122.820 0.106 0.000 1.841 62 A HA -0.281 nan 4.320 nan 0.000 0.216 62 A C 2.168 179.802 177.584 0.083 0.000 1.199 62 A CA 2.982 55.064 52.037 0.076 0.000 0.621 62 A CB -0.597 18.430 19.000 0.045 0.000 0.835 62 A HN -0.046 8.157 8.150 0.088 0.000 0.445 63 L N -2.074 119.187 121.223 0.063 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.353 179.177 176.870 -0.077 0.000 1.092 63 L CA 2.600 57.430 54.840 -0.018 0.000 0.759 63 L CB -0.638 41.370 42.059 -0.086 0.000 0.903 63 L HN 0.056 8.218 8.230 0.076 0.113 0.435 64 Y N -3.358 116.980 120.300 0.063 0.000 2.333 64 Y HA -0.265 nan 4.550 nan 0.000 0.290 64 Y C 1.764 177.676 175.900 0.020 0.000 1.144 64 Y CA 2.171 60.286 58.100 0.026 0.000 1.228 64 Y CB -0.213 38.230 38.460 -0.028 0.000 0.985 64 Y HN -0.447 7.957 8.280 0.206 0.000 0.542 65 G N -1.418 107.478 108.800 0.160 0.000 3.209 65 G HA2 0.002 nan 3.960 nan 0.000 0.274 65 G HA3 0.002 nan 3.960 nan 0.000 0.274 65 G C -2.068 172.879 174.900 0.078 0.000 0.850 65 G CA -0.551 44.610 45.100 0.101 0.000 1.907 65 G HN -0.331 7.922 8.290 0.158 0.131 0.591 66 A N 3.506 126.371 122.820 0.075 0.000 2.621 66 A HA 0.315 nan 4.320 nan 0.000 0.267 66 A C -0.772 176.847 177.584 0.059 0.000 1.506 66 A CA -0.620 51.459 52.037 0.070 0.000 0.873 66 A CB 1.355 20.395 19.000 0.067 0.000 1.577 66 A HN -0.437 7.712 8.150 0.083 0.051 0.536 67 K N -1.806 118.629 120.400 0.058 0.000 2.678 67 K HA 0.144 nan 4.320 nan 0.000 0.240 67 K C -0.723 175.917 176.600 0.067 0.000 1.508 67 K CA -0.085 56.235 56.287 0.056 0.000 0.824 67 K CB 1.227 33.757 32.500 0.050 0.000 1.893 67 K HN 0.506 8.793 8.250 0.062 0.000 0.366 68 D N -1.699 118.744 120.400 0.072 0.000 2.687 68 D HA 0.082 nan 4.640 nan 0.000 0.264 68 D C 0.266 176.630 176.300 0.106 0.000 1.091 68 D CA -1.149 52.920 54.000 0.116 0.000 1.123 68 D CB 1.498 42.375 40.800 0.128 0.000 1.407 68 D HN -0.435 7.971 8.370 0.060 0.000 0.591 69 F N -0.056 119.946 119.950 0.086 0.000 2.269 69 F HA -0.256 nan 4.527 nan 0.000 0.301 69 F C 0.864 176.793 175.800 0.215 0.000 1.082 69 F CA 2.773 60.852 58.000 0.132 0.000 1.360 69 F CB 0.401 39.445 39.000 0.074 0.000 1.041 69 F HN 0.230 8.774 8.300 0.408 0.000 0.512 70 N N -1.114 117.606 118.700 0.034 0.000 2.132 70 N HA -0.271 nan 4.740 nan 0.000 0.187 70 N C 1.709 177.180 175.510 -0.065 0.000 1.038 70 N CA 3.067 56.114 53.050 -0.005 0.000 0.846 70 N CB -0.555 37.983 38.487 0.084 0.000 1.012 70 N HN -0.774 7.965 8.380 0.155 -0.267 0.429 71 D N 0.902 121.296 120.400 -0.009 0.000 2.182 71 D HA -0.292 nan 4.640 nan 0.000 0.201 71 D C 1.897 178.166 176.300 -0.051 0.000 0.986 71 D CA 3.108 57.112 54.000 0.007 0.000 0.847 71 D CB 0.082 40.903 40.800 0.036 0.000 0.942 71 D HN -0.343 8.385 8.370 0.024 -0.344 0.467 72 F N 0.547 120.323 119.950 -0.291 0.000 2.091 72 F HA -0.384 nan 4.527 nan 0.000 0.299 72 F C 1.324 176.877 175.800 -0.411 0.000 1.103 72 F CA 3.365 61.118 58.000 -0.412 0.000 1.228 72 F CB 0.092 38.664 39.000 -0.712 0.000 0.984 72 F HN -0.208 8.079 8.300 -0.020 0.001 0.477 73 I N -2.084 118.081 120.570 -0.674 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.971 177.891 176.117 -0.328 0.000 1.102 73 I CA 2.232 63.179 61.300 -0.588 0.000 1.385 73 I CB -1.550 36.228 38.000 -0.369 0.000 1.064 73 I HN -0.459 7.348 8.210 -0.502 0.103 0.414 74 H N 1.298 120.224 119.070 -0.240 0.000 2.321 74 H HA -0.296 nan 4.556 nan 0.000 0.300 74 H C 2.308 177.544 175.328 -0.153 0.000 1.087 74 H CA 3.524 59.481 56.048 -0.152 0.000 1.319 74 H CB 0.056 29.762 29.762 -0.095 0.000 1.379 74 H HN -0.452 7.772 8.280 -0.093 0.000 0.501 75 L N -1.143 119.825 121.223 -0.425 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.572 178.247 176.870 -0.326 0.000 1.075 75 L CA 3.636 58.257 54.840 -0.364 0.000 0.752 75 L CB -0.520 41.421 42.059 -0.197 0.000 0.891 75 L HN -0.121 7.955 8.230 -0.258 0.000 0.432 76 C N -1.840 117.250 119.300 -0.351 0.000 2.432 76 C HA -0.369 nan 4.460 nan 0.000 0.280 76 C C 2.301 177.160 174.990 -0.217 0.000 1.353 76 C CA 3.051 61.929 59.018 -0.234 0.000 1.766 76 C CB -2.183 25.334 27.740 -0.371 0.000 1.924 76 C HN -0.274 7.603 8.230 -0.461 0.077 0.509 77 E N 0.327 120.381 120.200 -0.243 0.000 2.031 77 E HA -0.454 nan 4.350 nan 0.000 0.193 77 E C 1.927 178.405 176.600 -0.204 0.000 0.994 77 E CA 3.206 59.505 56.400 -0.169 0.000 0.800 77 E CB -0.299 29.357 29.700 -0.074 0.000 0.752 77 E HN 0.098 8.185 8.360 -0.291 0.098 0.447 78 Q N -0.777 118.838 119.800 -0.307 0.000 1.969 78 Q HA -0.224 nan 4.340 nan 0.000 0.198 78 Q C 2.632 178.502 176.000 -0.216 0.000 0.978 78 Q CA 2.750 58.402 55.803 -0.252 0.000 0.830 78 Q CB 0.246 28.777 28.738 -0.343 0.000 0.896 78 Q HN -0.262 7.738 8.270 -0.451 0.000 0.431 79 A N -0.802 121.880 122.820 -0.230 0.000 1.978 79 A HA -0.306 nan 4.320 nan 0.000 0.220 79 A C 1.867 179.268 177.584 -0.306 0.000 1.170 79 A CA 3.211 55.119 52.037 -0.215 0.000 0.636 79 A CB -1.037 17.863 19.000 -0.165 0.000 0.810 79 A HN 0.148 8.150 8.150 -0.247 0.000 0.448 80 R N -1.728 118.532 120.500 -0.399 0.000 2.139 80 R HA -0.349 nan 4.340 nan 0.000 0.243 80 R C 2.280 178.410 176.300 -0.283 0.000 1.145 80 R CA 2.895 58.720 56.100 -0.458 0.000 0.976 80 R CB -0.508 29.547 30.300 -0.408 0.000 0.866 80 R HN 0.098 8.120 8.270 -0.356 0.035 0.449 81 Q N -2.496 117.182 119.800 -0.203 0.000 2.585 81 Q HA -0.234 nan 4.340 nan 0.000 0.219 81 Q C 1.210 177.136 176.000 -0.124 0.000 0.984 81 Q CA 2.535 58.254 55.803 -0.140 0.000 0.915 81 Q CB -0.105 28.569 28.738 -0.106 0.000 0.967 81 Q HN -0.028 7.978 8.270 -0.205 0.141 0.530 82 I N -4.401 116.080 120.570 -0.147 0.000 3.768 82 I HA 0.038 nan 4.170 nan 0.000 0.328 82 I C -2.331 173.692 176.117 -0.155 0.000 1.413 82 I CA -0.974 60.248 61.300 -0.130 0.000 1.003 82 I CB 1.528 39.471 38.000 -0.095 0.000 1.727 82 I HN -0.709 7.335 8.210 -0.180 0.058 0.657 83 V N -3.172 116.605 119.914 -0.228 0.000 2.513 83 V HA 0.324 nan 4.120 nan 0.000 0.299 83 V C -0.582 175.398 176.094 -0.190 0.000 1.035 83 V CA -2.753 59.407 62.300 -0.234 0.000 0.889 83 V CB 1.497 33.138 31.823 -0.302 0.000 0.988 83 V HN -0.334 7.592 8.190 -0.274 0.100 0.440 84 N N 6.293 124.919 118.700 -0.123 0.000 2.276 84 N HA -0.236 nan 4.740 nan 0.000 0.279 84 N C 1.074 176.575 175.510 -0.016 0.000 1.379 84 N CA 0.748 53.742 53.050 -0.093 0.000 0.886 84 N CB 0.188 38.580 38.487 -0.158 0.000 1.199 84 N HN 0.371 8.676 8.380 -0.125 0.000 0.493 85 E N 7.889 128.107 120.200 0.029 0.000 2.122 85 E HA -0.158 nan 4.350 nan 0.000 0.190 85 E C 1.568 178.310 176.600 0.236 0.000 0.977 85 E CA 2.357 58.843 56.400 0.145 0.000 0.820 85 E CB -0.830 28.952 29.700 0.136 0.000 0.770 85 E HN 0.390 8.756 8.360 0.011 0.000 0.462 86 G N 0.525 109.412 108.800 0.146 0.000 2.469 86 G HA2 -0.350 nan 3.960 nan 0.000 0.219 86 G HA3 -0.350 nan 3.960 nan 0.000 0.219 86 G C 1.126 176.182 174.900 0.260 0.000 1.150 86 G CA 1.940 47.148 45.100 0.180 0.000 0.763 86 G HN 0.377 8.715 8.290 0.080 0.000 0.561 87 M N 1.780 121.402 119.600 0.037 0.000 2.156 87 M HA -0.292 nan 4.480 nan 0.000 0.264 87 M C 1.089 177.503 176.300 0.190 0.000 1.067 87 M CA 3.063 58.345 55.300 -0.030 0.000 1.131 87 M CB 0.127 32.503 32.600 -0.374 0.000 1.368 87 M HN -0.835 7.559 8.290 -0.067 -0.144 0.416 88 F N -0.014 119.972 119.950 0.060 0.000 2.069 88 F HA -0.434 nan 4.527 nan 0.000 0.298 88 F C 1.456 177.400 175.800 0.240 0.000 1.113 88 F CA 4.386 62.448 58.000 0.102 0.000 1.214 88 F CB -0.093 38.928 39.000 0.036 0.000 0.978 88 F HN -0.168 8.233 8.300 0.269 0.061 0.474 89 V N -0.501 119.653 119.914 0.399 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.027 177.418 176.094 0.494 0.000 1.059 89 V CA 4.184 66.778 62.300 0.491 0.000 1.051 89 V CB -0.904 31.330 31.823 0.684 0.000 0.658 89 V HN 0.481 8.957 8.190 0.477 0.000 0.455 90 Y N 0.572 121.107 120.300 0.392 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.263 177.294 175.900 0.219 0.000 1.146 90 Y CA 4.068 62.363 58.100 0.325 0.000 1.182 90 Y CB -0.355 38.250 38.460 0.242 0.000 0.983 90 Y HN -0.501 8.070 8.280 0.614 0.078 0.524 91 A N -1.190 121.783 122.820 0.255 0.000 1.874 91 A HA -0.289 nan 4.320 nan 0.000 0.214 91 A C 1.803 179.371 177.584 -0.026 0.000 1.189 91 A CA 3.064 55.178 52.037 0.129 0.000 0.615 91 A CB -0.487 18.503 19.000 -0.018 0.000 0.830 91 A HN 0.187 8.399 8.150 0.260 0.094 0.443 92 V N -4.242 115.599 119.914 -0.122 0.000 2.515 92 V HA -0.413 nan 4.120 nan 0.000 0.250 92 V C 1.836 177.972 176.094 0.070 0.000 1.058 92 V CA 3.665 65.941 62.300 -0.040 0.000 1.064 92 V CB -1.284 30.520 31.823 -0.031 0.000 0.675 92 V HN 0.378 8.441 8.190 -0.212 0.000 0.461 93 S N 0.065 115.829 115.700 0.107 0.000 2.414 93 S HA -0.243 nan 4.470 nan 0.000 0.227 93 S C 2.011 176.605 174.600 -0.009 0.000 1.022 93 S CA 3.303 61.550 58.200 0.079 0.000 0.958 93 S CB 0.057 63.376 63.200 0.198 0.000 0.797 93 S HN -0.014 8.284 8.310 0.156 0.106 0.493 94 V N 2.040 121.945 119.914 -0.015 0.000 2.515 94 V HA -0.353 nan 4.120 nan 0.000 0.250 94 V C 1.498 177.719 176.094 0.211 0.000 1.058 94 V CA 3.239 65.598 62.300 0.098 0.000 1.064 94 V CB -0.958 30.930 31.823 0.109 0.000 0.675 94 V HN -0.247 7.926 8.190 -0.029 0.000 0.461 95 A N 0.031 122.871 122.820 0.033 0.000 1.855 95 A HA -0.197 nan 4.320 nan 0.000 0.215 95 A C 1.285 178.869 177.584 -0.000 0.000 1.191 95 A CA 3.829 55.842 52.037 -0.040 0.000 0.613 95 A CB -0.207 18.704 19.000 -0.147 0.000 0.829 95 A HN 0.192 8.337 8.150 -0.009 0.000 0.442 96 V N -2.577 117.336 119.914 -0.002 0.000 3.620 96 V HA -0.100 nan 4.120 nan 0.000 0.286 96 V C 0.782 176.821 176.094 -0.093 0.000 1.288 96 V CA 1.528 63.832 62.300 0.007 0.000 1.178 96 V CB -1.131 30.768 31.823 0.128 0.000 0.986 96 V HN -0.070 8.022 8.190 0.017 0.109 0.431 97 L N -1.128 119.973 121.223 -0.204 0.000 2.253 97 L HA -0.041 nan 4.340 nan 0.000 0.205 97 L C 0.358 176.978 176.870 -0.415 0.000 1.078 97 L CA 2.535 57.108 54.840 -0.445 0.000 0.805 97 L CB 1.284 42.833 42.059 -0.850 0.000 0.963 97 L HN -0.593 7.507 8.230 -0.170 0.028 0.459 98 H N -7.445 111.650 119.070 0.041 0.000 3.233 98 H HA 0.214 nan 4.556 nan 0.000 0.263 98 H C -0.664 174.775 175.328 0.186 0.000 1.168 98 H CA -0.676 55.433 56.048 0.103 0.000 1.159 98 H CB 1.529 31.406 29.762 0.190 0.000 1.593 98 H HN -0.177 7.971 8.280 0.002 0.133 0.580 99 R N 0.523 121.158 120.500 0.226 0.000 2.295 99 R HA 0.306 nan 4.340 nan 0.000 0.324 99 R C 0.585 176.944 176.300 0.098 0.000 0.968 99 R CA -1.796 54.416 56.100 0.186 0.000 0.837 99 R CB 0.106 30.511 30.300 0.176 0.000 1.133 99 R HN -0.583 7.771 8.270 0.140 0.000 0.450 100 E N 3.319 123.577 120.200 0.096 0.000 2.533 100 E HA -0.215 nan 4.350 nan 0.000 0.201 100 E C -0.040 176.578 176.600 0.030 0.000 1.097 100 E CA 1.200 57.635 56.400 0.058 0.000 0.887 100 E CB -0.706 29.030 29.700 0.059 0.000 0.855 100 E HN 0.577 9.003 8.360 0.111 0.000 0.540 101 D N -2.803 117.628 120.400 0.052 0.000 2.336 101 D HA 0.029 nan 4.640 nan 0.000 0.228 101 D C 0.180 176.439 176.300 -0.068 0.000 1.120 101 D CA 0.249 54.278 54.000 0.048 0.000 0.839 101 D CB -0.487 40.416 40.800 0.171 0.000 0.932 101 D HN -0.303 8.029 8.370 0.078 0.085 0.509 102 C N -2.590 116.636 119.300 -0.124 0.000 3.657 102 C HA 0.099 nan 4.460 nan 0.000 0.291 102 C C -0.762 174.057 174.990 -0.285 0.000 1.572 102 C CA -1.242 57.614 59.018 -0.271 0.000 1.818 102 C CB 1.057 28.743 27.740 -0.090 0.000 2.903 102 C HN -0.236 7.881 8.230 -0.074 0.068 0.632 103 K N 1.264 121.531 120.400 -0.222 0.000 2.319 103 K HA -0.227 nan 4.320 nan 0.000 0.265 103 K C 0.998 177.446 176.600 -0.254 0.000 1.000 103 K CA 1.468 57.630 56.287 -0.208 0.000 0.943 103 K CB 0.070 32.476 32.500 -0.156 0.000 0.950 103 K HN -0.472 7.663 8.250 -0.192 0.000 0.485 104 G N 3.330 111.968 108.800 -0.270 0.000 2.155 104 G HA2 -0.451 nan 3.960 nan 0.000 0.257 104 G HA3 -0.451 nan 3.960 nan 0.000 0.257 104 G C -0.764 173.938 174.900 -0.330 0.000 0.983 104 G CA 0.382 45.285 45.100 -0.328 0.000 0.676 104 G HN 0.354 8.483 8.290 -0.250 0.011 0.528 105 I N 0.619 121.009 120.570 -0.300 0.000 2.532 105 I HA 0.119 nan 4.170 nan 0.000 0.292 105 I C -1.425 174.551 176.117 -0.236 0.000 1.014 105 I CA -1.422 59.721 61.300 -0.261 0.000 1.340 105 I CB 1.629 39.496 38.000 -0.222 0.000 1.422 105 I HN -0.706 7.267 8.210 -0.281 0.068 0.528 106 T N 7.702 122.128 114.554 -0.212 0.000 2.856 106 T HA 0.175 nan 4.350 nan 0.000 0.283 106 T C -0.927 173.665 174.700 -0.180 0.000 1.008 106 T CA -1.459 60.532 62.100 -0.181 0.000 0.997 106 T CB 1.852 70.628 68.868 -0.153 0.000 0.992 106 T HN -0.367 7.997 8.240 -0.205 -0.247 0.454 107 V N 4.781 124.604 119.914 -0.152 0.000 2.508 107 V HA 0.074 nan 4.120 nan 0.000 0.281 107 V C -1.166 174.808 176.094 -0.200 0.000 1.041 107 V CA -2.753 59.450 62.300 -0.161 0.000 1.016 107 V CB -0.678 31.093 31.823 -0.087 0.000 0.984 107 V HN 0.460 8.574 8.190 -0.126 0.000 0.478 108 P HA 0.083 nan 4.420 nan 0.000 0.260 108 P C -2.656 174.647 177.300 0.004 0.000 1.185 108 P CA -0.906 62.027 63.100 -0.279 0.000 0.763 108 P CB 0.142 31.526 31.700 -0.526 0.000 0.776 109 P HA -0.017 nan 4.420 nan 0.000 0.261 109 P C 0.929 178.300 177.300 0.119 0.000 1.203 109 P CA 0.014 63.184 63.100 0.117 0.000 0.767 109 P CB 0.255 32.005 31.700 0.083 0.000 0.785 110 I N 0.320 120.967 120.570 0.128 0.000 2.423 110 I HA -0.527 nan 4.170 nan 0.000 0.254 110 I C 0.937 177.061 176.117 0.011 0.000 1.151 110 I CA 3.540 64.893 61.300 0.088 0.000 1.421 110 I CB -0.379 37.565 38.000 -0.093 0.000 1.079 110 I HN 0.427 8.766 8.210 0.214 0.000 0.431 111 Q N -1.559 118.073 119.800 -0.280 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.226 177.034 176.000 -0.320 0.000 0.964 111 Q CA 3.103 58.426 55.803 -0.800 0.000 0.855 111 Q CB -0.690 27.488 28.738 -0.933 0.000 0.918 111 Q HN 0.218 8.322 8.270 -0.175 0.061 0.444 112 E N -2.661 117.455 120.200 -0.140 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.444 178.032 176.600 -0.021 0.000 0.973 112 E CA 1.511 57.873 56.400 -0.064 0.000 0.851 112 E CB 1.346 30.999 29.700 -0.079 0.000 0.804 112 E HN -0.424 7.741 8.360 -0.107 0.130 0.477 113 V N -5.501 114.421 119.914 0.014 0.000 2.788 113 V HA -0.075 nan 4.120 nan 0.000 0.251 113 V C 0.021 175.895 176.094 -0.367 0.000 1.068 113 V CA 1.943 64.175 62.300 -0.113 0.000 1.090 113 V CB 0.336 32.176 31.823 0.029 0.000 0.710 113 V HN -0.098 8.028 8.190 0.072 0.107 0.467 114 F N -1.470 118.546 119.950 0.110 0.000 2.660 114 F HA 0.584 nan 4.527 nan 0.000 0.352 114 F C -1.558 174.360 175.800 0.197 0.000 1.257 114 F CA -3.468 54.616 58.000 0.140 0.000 1.200 114 F CB 1.203 40.282 39.000 0.132 0.000 1.473 114 F HN -0.400 7.890 8.300 0.174 0.114 0.561 115 P HA -0.141 nan 4.420 nan 0.000 0.226 115 P C 0.634 178.134 177.300 0.335 0.000 1.153 115 P CA 1.957 65.204 63.100 0.244 0.000 0.777 115 P CB 0.037 31.813 31.700 0.126 0.000 0.794 116 D N -1.037 119.551 120.400 0.314 0.000 2.123 116 D HA -0.317 nan 4.640 nan 0.000 0.196 116 D C 0.547 176.980 176.300 0.221 0.000 0.992 116 D CA 2.616 56.771 54.000 0.258 0.000 0.833 116 D CB -1.695 39.268 40.800 0.272 0.000 0.954 116 D HN 0.467 8.981 8.370 0.351 0.067 0.455 117 R N -3.153 117.474 120.500 0.212 0.000 2.339 117 R HA -0.115 nan 4.340 nan 0.000 0.199 117 R C 0.302 176.427 176.300 -0.292 0.000 1.018 117 R CA 1.347 57.407 56.100 -0.066 0.000 1.036 117 R CB -0.587 29.622 30.300 -0.152 0.000 0.899 117 R HN -0.264 8.191 8.270 0.309 0.000 0.473 118 F N -2.802 117.143 119.950 -0.008 0.000 2.592 118 F HA 0.089 nan 4.527 nan 0.000 0.280 118 F C -0.534 175.250 175.800 -0.028 0.000 1.083 118 F CA 2.442 60.416 58.000 -0.044 0.000 1.365 118 F CB 2.279 41.243 39.000 -0.061 0.000 1.100 118 F HN -0.360 7.943 8.300 0.335 0.198 0.633 119 V N -6.158 113.871 119.914 0.193 0.000 3.096 119 V HA 0.529 nan 4.120 nan 0.000 0.319 119 V C -2.518 173.649 176.094 0.122 0.000 1.103 119 V CA -4.044 58.340 62.300 0.139 0.000 1.016 119 V CB -0.204 31.703 31.823 0.140 0.000 1.090 119 V HN -0.552 7.774 8.190 0.226 0.000 0.449 120 P HA -0.033 nan 4.420 nan 0.000 0.267 120 P C -0.519 176.847 177.300 0.109 0.000 1.209 120 P CA 0.002 63.166 63.100 0.108 0.000 0.763 120 P CB -0.104 31.640 31.700 0.073 0.000 0.816 121 A N 6.884 129.775 122.820 0.118 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.844 179.480 177.584 0.087 0.000 1.199 121 A CA 3.575 55.676 52.037 0.106 0.000 0.657 121 A CB -0.541 18.521 19.000 0.103 0.000 0.823 121 A HN 0.874 8.997 8.150 0.132 0.107 0.463 122 E N -3.128 117.121 120.200 0.080 0.000 2.038 122 E HA -0.364 nan 4.350 nan 0.000 0.195 122 E C 2.128 178.768 176.600 0.067 0.000 1.000 122 E CA 3.333 59.772 56.400 0.065 0.000 0.803 122 E CB -0.321 29.410 29.700 0.052 0.000 0.750 122 E HN 0.241 8.642 8.360 0.088 0.012 0.448 123 T N 0.812 115.411 114.554 0.076 0.000 3.085 123 T HA -0.048 nan 4.350 nan 0.000 0.263 123 T C 2.454 177.205 174.700 0.084 0.000 1.127 123 T CA 2.615 64.763 62.100 0.080 0.000 1.103 123 T CB -0.764 68.158 68.868 0.090 0.000 0.921 123 T HN -0.403 7.790 8.240 0.080 0.095 0.510 124 I N 2.750 123.374 120.570 0.089 0.000 2.193 124 I HA -0.504 nan 4.170 nan 0.000 0.240 124 I C 0.928 177.091 176.117 0.076 0.000 1.084 124 I CA 4.066 65.419 61.300 0.090 0.000 1.365 124 I CB -0.269 37.791 38.000 0.100 0.000 1.064 124 I HN -0.295 7.944 8.210 0.092 0.026 0.410 125 N N -0.369 118.373 118.700 0.069 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.549 178.091 175.510 0.054 0.000 1.019 125 N CA 3.843 56.927 53.050 0.057 0.000 0.857 125 N CB 0.169 38.688 38.487 0.053 0.000 0.997 125 N HN -0.121 8.303 8.380 0.074 0.000 0.426 126 R N -1.343 119.191 120.500 0.058 0.000 2.057 126 R HA -0.243 nan 4.340 nan 0.000 0.229 126 R C 1.743 178.081 176.300 0.062 0.000 1.136 126 R CA 3.287 59.421 56.100 0.057 0.000 0.952 126 R CB -0.156 30.178 30.300 0.056 0.000 0.848 126 R HN 0.399 8.588 8.270 0.062 0.118 0.430 127 A N -0.855 122.005 122.820 0.067 0.000 1.883 127 A HA -0.330 nan 4.320 nan 0.000 0.217 127 A C 2.225 179.853 177.584 0.074 0.000 1.186 127 A CA 3.103 55.183 52.037 0.070 0.000 0.624 127 A CB -0.941 18.104 19.000 0.074 0.000 0.822 127 A HN -0.559 7.632 8.150 0.069 0.000 0.444 128 N N -1.780 116.962 118.700 0.070 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.222 177.765 175.510 0.054 0.000 1.041 128 N CA 3.070 56.157 53.050 0.061 0.000 0.862 128 N CB -0.579 37.939 38.487 0.052 0.000 1.048 128 N HN -0.218 8.205 8.380 0.071 0.000 0.427 129 K N 0.121 120.551 120.400 0.050 0.000 2.209 129 K HA -0.298 nan 4.320 nan 0.000 0.204 129 K C 2.708 179.340 176.600 0.053 0.000 1.048 129 K CA 2.949 59.261 56.287 0.041 0.000 0.940 129 K CB 0.002 32.523 32.500 0.035 0.000 0.729 129 K HN 0.034 8.135 8.250 0.052 0.180 0.451 130 E N -0.513 119.734 120.200 0.078 0.000 2.152 130 E HA -0.284 nan 4.350 nan 0.000 0.192 130 E C 1.983 178.665 176.600 0.136 0.000 0.983 130 E CA 2.767 59.242 56.400 0.126 0.000 0.818 130 E CB -0.151 29.626 29.700 0.128 0.000 0.758 130 E HN 0.156 8.444 8.360 0.074 0.116 0.467 131 A N -0.900 121.979 122.820 0.099 0.000 1.933 131 A HA -0.196 nan 4.320 nan 0.000 0.218 131 A C 1.956 179.579 177.584 0.066 0.000 1.175 131 A CA 3.059 55.152 52.037 0.093 0.000 0.628 131 A CB -0.588 18.466 19.000 0.091 0.000 0.814 131 A HN -0.243 7.960 8.150 0.088 0.000 0.444 132 S N -2.341 113.384 115.700 0.042 0.000 2.453 132 S HA -0.170 nan 4.470 nan 0.000 0.231 132 S C 1.368 175.959 174.600 -0.016 0.000 1.005 132 S CA 2.182 60.390 58.200 0.013 0.000 0.949 132 S CB 0.137 63.340 63.200 0.005 0.000 0.774 132 S HN -0.318 8.019 8.310 0.044 0.000 0.510 133 N N -0.171 118.515 118.700 -0.022 0.000 2.333 133 N HA -0.087 nan 4.740 nan 0.000 0.178 133 N C 0.082 175.377 175.510 -0.358 0.000 1.018 133 N CA 1.413 54.364 53.050 -0.165 0.000 0.882 133 N CB 1.000 39.392 38.487 -0.159 0.000 0.984 133 N HN -0.389 7.848 8.380 0.030 0.161 0.434 134 H N -1.356 117.723 119.070 0.015 0.000 2.854 134 H HA 0.366 nan 4.556 nan 0.000 0.275 134 H C -2.339 172.999 175.328 0.017 0.000 1.198 134 H CA -2.664 53.392 56.048 0.014 0.000 1.489 134 H CB 0.464 30.234 29.762 0.013 0.000 1.519 134 H HN -0.156 8.200 8.280 0.127 0.000 0.503 135 P HA -0.060 nan 4.420 nan 0.000 0.259 135 P C -1.517 175.824 177.300 0.067 0.000 1.635 135 P CA 0.458 63.597 63.100 0.065 0.000 1.199 135 P CB -0.510 31.211 31.700 0.035 0.000 1.850 136 D N 1.046 121.492 120.400 0.077 0.000 2.579 136 D HA 0.095 nan 4.640 nan 0.000 0.257 136 D C -0.872 175.454 176.300 0.044 0.000 1.176 136 D CA -1.689 52.344 54.000 0.055 0.000 0.914 136 D CB 2.320 43.153 40.800 0.055 0.000 1.431 136 D HN -0.548 7.857 8.370 0.089 0.019 0.454 137 Q N -1.001 118.814 119.800 0.024 0.000 2.451 137 Q HA -0.054 nan 4.340 nan 0.000 0.206 137 Q C 0.355 176.345 176.000 -0.016 0.000 0.947 137 Q CA 0.668 56.474 55.803 0.007 0.000 0.937 137 Q CB 0.519 29.257 28.738 0.000 0.000 1.025 137 Q HN 0.289 8.572 8.270 0.021 0.000 0.511 138 Q N 0.587 120.378 119.800 -0.014 0.000 2.286 138 Q HA -0.170 nan 4.340 nan 0.000 0.290 138 Q C -0.707 175.273 176.000 -0.033 0.000 1.049 138 Q CA 0.875 56.659 55.803 -0.031 0.000 0.923 138 Q CB 0.403 29.114 28.738 -0.045 0.000 1.183 138 Q HN -0.651 7.845 8.270 -0.004 -0.228 0.383 139 S N 3.724 119.397 115.700 -0.044 0.000 2.576 139 S HA 0.174 nan 4.470 nan 0.000 0.272 139 S C -0.877 173.706 174.600 -0.029 0.000 1.352 139 S CA 1.041 59.215 58.200 -0.042 0.000 1.021 139 S CB 0.519 63.691 63.200 -0.046 0.000 0.887 139 S HN 0.206 8.488 8.310 -0.046 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 -0.609 60.690 61.300 -0.001 0.000 1.068 140 I CB 3.436 41.452 38.000 0.027 0.000 1.251 140 I HN 0.536 8.740 8.210 -0.011 0.000 0.424 141 V N 6.445 126.360 119.914 0.001 0.000 2.577 141 V HA 0.604 nan 4.120 nan 0.000 0.303 141 V C -1.829 174.274 176.094 0.015 0.000 1.042 141 V CA -1.687 60.615 62.300 0.003 0.000 0.872 141 V CB 2.090 33.904 31.823 -0.015 0.000 0.998 141 V HN 0.153 8.342 8.190 -0.002 0.000 0.423 142 V N 7.840 127.771 119.914 0.028 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.741 174.381 176.094 0.046 0.000 1.043 142 V CA -1.627 60.698 62.300 0.042 0.000 0.888 142 V CB 3.395 35.252 31.823 0.056 0.000 0.995 142 V HN 0.774 8.983 8.190 0.031 0.000 0.429 143 E N 5.691 125.923 120.200 0.054 0.000 2.105 143 E HA 0.153 nan 4.350 nan 0.000 0.285 143 E C 0.350 177.016 176.600 0.109 0.000 1.055 143 E CA -0.893 55.554 56.400 0.078 0.000 0.843 143 E CB 0.637 30.398 29.700 0.101 0.000 1.067 143 E HN 0.456 8.847 8.360 0.052 0.000 0.398 144 A N 8.195 131.092 122.820 0.129 0.000 2.019 144 A HA -0.241 nan 4.320 nan 0.000 0.219 144 A C 0.859 178.542 177.584 0.164 0.000 1.164 144 A CA 2.601 54.729 52.037 0.152 0.000 0.644 144 A CB -0.496 18.622 19.000 0.197 0.000 0.805 144 A HN 0.847 8.956 8.150 0.108 0.106 0.449 145 E N -1.900 118.431 120.200 0.219 0.000 2.164 145 E HA -0.312 nan 4.350 nan 0.000 0.206 145 E C 0.255 176.929 176.600 0.123 0.000 1.032 145 E CA 1.666 58.187 56.400 0.202 0.000 0.832 145 E CB 0.170 29.973 29.700 0.172 0.000 0.742 145 E HN 0.083 8.554 8.360 0.259 0.044 0.460 146 E N -4.282 115.964 120.200 0.078 0.000 8.880 146 E HA -0.307 nan 4.350 nan 0.000 0.183 146 E C -1.654 174.953 176.600 0.012 0.000 1.450 146 E CA 0.519 56.935 56.400 0.026 0.000 2.521 146 E CB 0.242 29.931 29.700 -0.019 0.000 1.229 146 E HN 0.026 8.403 8.360 0.088 0.035 0.443 147 T N 1.531 116.073 114.554 -0.019 0.000 3.172 147 T HA 0.242 nan 4.350 nan 0.000 0.320 147 T C -1.536 173.132 174.700 -0.053 0.000 1.085 147 T CA -0.294 61.791 62.100 -0.024 0.000 1.052 147 T CB 1.233 70.097 68.868 -0.007 0.000 1.107 147 T HN -0.161 8.058 8.240 -0.034 0.000 0.458 148 G N 2.305 111.061 108.800 -0.074 0.000 2.506 148 G HA2 0.004 nan 3.960 nan 0.000 0.292 148 G HA3 0.004 nan 3.960 nan 0.000 0.292 148 G C -2.094 172.748 174.900 -0.096 0.000 1.425 148 G CA 0.008 45.053 45.100 -0.092 0.000 0.788 148 G HN -0.198 8.052 8.290 -0.066 0.000 0.490 149 N N 0.513 119.164 118.700 -0.080 0.000 2.415 149 N HA 0.147 nan 4.740 nan 0.000 0.246 149 N C 0.149 175.612 175.510 -0.078 0.000 1.078 149 N CA -0.862 52.154 53.050 -0.058 0.000 0.942 149 N CB 0.090 38.558 38.487 -0.031 0.000 1.140 149 N HN 0.039 8.375 8.380 -0.074 0.000 0.501 150 I N 7.005 127.536 120.570 -0.065 0.000 2.352 150 I HA -0.102 nan 4.170 nan 0.000 0.303 150 I C 0.173 176.299 176.117 0.015 0.000 1.194 150 I CA 0.352 61.632 61.300 -0.033 0.000 1.518 150 I CB -1.452 36.574 38.000 0.045 0.000 1.489 150 I HN 0.339 8.519 8.210 -0.050 0.000 0.702 151 L N 6.027 127.255 121.223 0.009 0.000 2.109 151 L HA -0.169 nan 4.340 nan 0.000 0.207 151 L C 0.739 177.641 176.870 0.053 0.000 1.086 151 L CA 1.412 56.269 54.840 0.028 0.000 0.760 151 L CB -0.362 41.711 42.059 0.024 0.000 0.910 151 L HN -0.128 8.037 8.230 -0.013 0.058 0.437 152 D N -1.087 119.356 120.400 0.072 0.000 2.312 152 D HA 0.222 nan 4.640 nan 0.000 0.252 152 D C -0.689 175.692 176.300 0.135 0.000 1.150 152 D CA -2.212 51.852 54.000 0.107 0.000 0.870 152 D CB 1.229 42.111 40.800 0.136 0.000 1.153 152 D HN -0.475 7.889 8.370 0.055 0.038 0.457 153 P HA -0.162 nan 4.420 nan 0.000 0.216 153 P C 0.921 178.286 177.300 0.108 0.000 1.153 153 P CA 1.757 64.913 63.100 0.093 0.000 0.848 153 P CB 0.471 32.208 31.700 0.061 0.000 0.787 154 E N -2.253 118.023 120.200 0.127 0.000 2.204 154 E HA -0.248 nan 4.350 nan 0.000 0.194 154 E C 2.005 178.688 176.600 0.137 0.000 0.989 154 E CA 2.009 58.479 56.400 0.116 0.000 0.824 154 E CB -0.472 29.310 29.700 0.136 0.000 0.756 154 E HN -0.432 8.386 8.360 0.138 -0.375 0.477 155 Y N 0.675 121.032 120.300 0.095 0.000 2.283 155 Y HA -0.408 nan 4.550 nan 0.000 0.285 155 Y C 1.821 177.766 175.900 0.075 0.000 1.176 155 Y CA 2.698 60.859 58.100 0.101 0.000 1.229 155 Y CB -0.149 38.367 38.460 0.094 0.000 0.975 155 Y HN -0.304 8.411 8.280 0.322 -0.242 0.537 156 K N -1.145 119.193 120.400 -0.104 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.995 178.493 176.600 -0.170 0.000 1.052 156 K CA 2.961 59.181 56.287 -0.112 0.000 0.937 156 K CB -0.568 31.940 32.500 0.014 0.000 0.719 156 K HN -0.493 7.770 8.250 0.062 0.024 0.446 157 L N -3.330 117.746 121.223 -0.246 0.000 2.633 157 L HA -0.124 nan 4.340 nan 0.000 0.235 157 L C 0.927 177.488 176.870 -0.515 0.000 1.163 157 L CA 0.993 55.491 54.840 -0.570 0.000 0.859 157 L CB -1.055 40.837 42.059 -0.279 0.000 0.973 157 L HN -0.185 7.871 8.230 -0.127 0.098 0.451 158 S N 0.235 115.755 115.700 -0.301 0.000 2.603 158 S HA -0.217 nan 4.470 nan 0.000 0.229 158 S C 1.090 175.641 174.600 -0.082 0.000 0.972 158 S CA 2.025 60.137 58.200 -0.146 0.000 0.935 158 S CB -0.310 62.825 63.200 -0.107 0.000 0.769 158 S HN -0.609 7.330 8.310 -0.282 0.201 0.536 159 Y N -1.166 119.149 120.300 0.024 0.000 2.181 159 Y HA -0.293 nan 4.550 nan 0.000 0.288 159 Y C 0.285 176.308 175.900 0.205 0.000 1.146 159 Y CA 1.665 59.830 58.100 0.109 0.000 1.164 159 Y CB -0.830 37.673 38.460 0.070 0.000 0.982 159 Y HN -0.469 7.635 8.280 -0.247 0.027 0.515 160 F N 0.265 120.106 119.950 -0.182 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.783 177.567 175.800 -0.026 0.000 1.068 160 F CA 1.130 59.125 58.000 -0.008 0.000 1.265 160 F CB 1.708 40.661 39.000 -0.079 0.000 1.087 160 F HN -0.623 7.289 8.300 -0.397 0.150 0.511 161 R N -0.985 119.478 120.500 -0.062 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.582 176.739 176.300 -0.239 0.000 1.136 161 R CA 3.074 59.078 56.100 -0.162 0.000 0.959 161 R CB 0.047 30.344 30.300 -0.006 0.000 0.856 161 R HN -0.526 7.785 8.270 0.067 0.000 0.437 162 E N -4.549 115.574 120.200 -0.129 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.420 175.137 176.600 -0.072 0.000 1.041 162 E CA -0.711 55.635 56.400 -0.091 0.000 0.883 162 E CB -0.238 29.467 29.700 0.009 0.000 1.024 162 E HN -0.206 8.078 8.360 -0.076 0.030 0.470 163 D N 0.051 120.389 120.400 -0.104 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.667 176.950 176.300 -0.027 0.000 1.115 163 D CA -0.232 53.738 54.000 -0.049 0.000 0.917 163 D CB 1.429 42.208 40.800 -0.036 0.000 1.192 163 D HN -0.901 7.260 8.370 -0.195 0.092 0.428 164 I N 3.707 124.257 120.570 -0.034 0.000 2.142 164 I HA -0.277 nan 4.170 nan 0.000 0.240 164 I C 1.069 177.224 176.117 0.064 0.000 1.078 164 I CA 3.669 64.977 61.300 0.014 0.000 1.343 164 I CB 0.247 38.096 38.000 -0.252 0.000 1.046 164 I HN 0.421 8.577 8.210 -0.090 0.000 0.405 165 G N -2.948 105.847 108.800 -0.009 0.000 2.403 165 G HA2 -0.216 nan 3.960 nan 0.000 0.216 165 G HA3 -0.216 nan 3.960 nan 0.000 0.216 165 G C 1.433 176.255 174.900 -0.130 0.000 1.154 165 G CA 1.693 46.771 45.100 -0.036 0.000 0.784 165 G HN -0.178 8.112 8.290 -0.000 0.000 0.538 166 I N 2.918 123.312 120.570 -0.295 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.657 177.672 176.117 -0.170 0.000 1.053 166 I CA 3.056 64.080 61.300 -0.460 0.000 1.311 166 I CB -0.801 36.852 38.000 -0.578 0.000 1.030 166 I HN -0.870 7.350 8.210 -0.285 -0.181 0.398 167 N N -1.147 117.512 118.700 -0.068 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.319 177.935 175.510 0.176 0.000 1.016 167 N CA 3.019 56.054 53.050 -0.025 0.000 0.866 167 N CB -0.202 38.141 38.487 -0.241 0.000 0.980 167 N HN -0.074 8.276 8.380 -0.050 0.000 0.430 168 A N 0.423 123.409 122.820 0.277 0.000 1.858 168 A HA -0.280 nan 4.320 nan 0.000 0.216 168 A C 1.578 179.163 177.584 0.002 0.000 1.190 168 A CA 3.191 55.290 52.037 0.104 0.000 0.617 168 A CB -0.780 18.264 19.000 0.075 0.000 0.827 168 A HN 0.142 8.489 8.150 0.328 0.000 0.443 169 H N 0.103 119.239 119.070 0.110 0.000 2.357 169 H HA -0.459 nan 4.556 nan 0.000 0.296 169 H C 1.990 177.526 175.328 0.348 0.000 1.108 169 H CA 4.051 60.243 56.048 0.241 0.000 1.273 169 H CB -0.001 29.861 29.762 0.166 0.000 1.367 169 H HN -0.204 8.196 8.280 0.201 0.000 0.498 170 H N -1.128 118.058 119.070 0.193 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.789 178.347 175.328 0.385 0.000 1.087 170 H CA 3.791 60.003 56.048 0.273 0.000 1.291 170 H CB 0.247 30.132 29.762 0.204 0.000 1.369 170 H HN -0.562 7.920 8.280 0.368 0.018 0.492 171 W N 0.649 122.073 121.300 0.207 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.722 178.386 176.519 0.243 0.000 1.219 171 W CA 4.001 61.477 57.345 0.220 0.000 1.277 171 W CB -0.295 29.247 29.460 0.137 0.000 1.161 171 W HN -0.450 8.021 8.180 0.486 0.000 0.476 172 H N -2.436 116.922 119.070 0.481 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.310 177.682 175.328 0.073 0.000 1.113 172 H CA 3.218 59.410 56.048 0.240 0.000 1.277 172 H CB -0.883 28.995 29.762 0.192 0.000 1.370 172 H HN -0.057 8.252 8.280 0.049 0.000 0.506 173 W N -0.259 121.033 121.300 -0.014 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.866 178.423 176.519 0.063 0.000 1.208 173 W CA 4.826 62.155 57.345 -0.027 0.000 1.274 173 W CB 0.042 29.428 29.460 -0.123 0.000 1.138 173 W HN 0.639 8.940 8.180 0.202 0.000 0.515 174 H N -3.458 115.814 119.070 0.337 0.000 2.539 174 H HA -0.055 nan 4.556 nan 0.000 0.267 174 H C 1.197 176.476 175.328 -0.082 0.000 0.982 174 H CA 2.563 58.738 56.048 0.210 0.000 1.146 174 H CB 0.241 30.192 29.762 0.314 0.000 1.382 174 H HN -0.674 7.880 8.280 0.456 0.000 0.577 175 I N -0.915 119.617 120.570 -0.063 0.000 2.584 175 I HA -0.206 nan 4.170 nan 0.000 0.255 175 I C 1.085 177.104 176.117 -0.163 0.000 1.145 175 I CA 1.140 62.309 61.300 -0.218 0.000 1.462 175 I CB 0.701 38.623 38.000 -0.129 0.000 1.102 175 I HN -0.276 7.862 8.210 0.035 0.092 0.433 176 V N -6.376 113.388 119.914 -0.249 0.000 2.591 176 V HA -0.072 nan 4.120 nan 0.000 0.249 176 V C 0.459 176.080 176.094 -0.789 0.000 1.053 176 V CA 1.732 63.751 62.300 -0.469 0.000 1.068 176 V CB -0.249 31.201 31.823 -0.621 0.000 0.689 176 V HN -0.383 7.690 8.190 -0.196 0.000 0.462 177 Y N -1.543 118.534 120.300 -0.373 0.000 2.919 177 Y HA 0.551 nan 4.550 nan 0.000 0.341 177 Y C -2.585 173.281 175.900 -0.056 0.000 1.045 177 Y CA -3.599 54.289 58.100 -0.353 0.000 1.218 177 Y CB -0.669 37.438 38.460 -0.589 0.000 1.137 177 Y HN 0.003 7.880 8.280 -0.486 0.112 0.577 178 P HA 0.106 nan 4.420 nan 0.000 0.276 178 P C -0.036 177.357 177.300 0.156 0.000 1.230 178 P CA -0.278 62.899 63.100 0.128 0.000 0.776 178 P CB 0.763 32.478 31.700 0.026 0.000 0.888 179 A N 4.629 127.533 122.820 0.140 0.000 1.940 179 A HA -0.288 nan 4.320 nan 0.000 0.219 179 A C 0.700 178.319 177.584 0.059 0.000 1.176 179 A CA 3.233 55.319 52.037 0.082 0.000 0.631 179 A CB -0.460 18.569 19.000 0.048 0.000 0.814 179 A HN 0.643 8.888 8.150 0.157 0.000 0.446 180 T N -5.707 108.858 114.554 0.019 0.000 3.252 180 T HA -0.091 nan 4.350 nan 0.000 0.250 180 T C 0.641 175.268 174.700 -0.123 0.000 1.123 180 T CA -1.166 60.900 62.100 -0.057 0.000 1.006 180 T CB -1.411 67.378 68.868 -0.132 0.000 0.992 180 T HN -0.171 8.075 8.240 0.018 0.006 0.547 181 W N 4.277 125.463 121.300 -0.189 0.000 2.771 181 W HA -0.221 nan 4.660 nan 0.000 0.407 181 W C -1.740 174.688 176.519 -0.152 0.000 1.221 181 W CA -0.170 57.054 57.345 -0.201 0.000 1.539 181 W CB -0.944 28.407 29.460 -0.182 0.000 1.647 181 W HN -0.273 7.820 8.180 0.167 0.188 0.469 182 N N 7.969 126.388 118.700 -0.467 0.000 2.452 182 N HA -0.062 nan 4.740 nan 0.000 0.266 182 N C -1.102 174.020 175.510 -0.646 0.000 1.209 182 N CA -0.953 51.850 53.050 -0.411 0.000 0.929 182 N CB 0.923 39.206 38.487 -0.340 0.000 1.063 182 N HN -0.352 7.717 8.380 -0.454 0.039 0.472 183 P HA -0.119 nan 4.420 nan 0.000 0.216 183 P C 0.143 177.335 177.300 -0.180 0.000 1.153 183 P CA 1.952 64.971 63.100 -0.135 0.000 0.844 183 P CB 0.622 32.348 31.700 0.045 0.000 0.787 184 T N -4.591 109.869 114.554 -0.156 0.000 2.732 184 T HA -0.156 nan 4.350 nan 0.000 0.261 184 T C 2.858 177.466 174.700 -0.153 0.000 1.040 184 T CA 3.273 65.304 62.100 -0.114 0.000 1.145 184 T CB -0.546 68.276 68.868 -0.077 0.000 0.866 184 T HN -0.139 8.178 8.240 -0.160 -0.172 0.427 185 V N 2.073 121.865 119.914 -0.204 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.207 177.112 176.094 -0.315 0.000 1.080 185 V CA 3.092 65.266 62.300 -0.210 0.000 1.101 185 V CB -0.648 31.062 31.823 -0.188 0.000 0.698 185 V HN 0.262 8.661 8.190 -0.208 -0.333 0.477 186 M N -2.684 116.620 119.600 -0.494 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.591 176.300 -0.257 0.000 1.201 186 M CA -1.574 53.365 55.300 -0.601 0.000 0.973 186 M CB -0.661 31.119 32.600 -1.367 0.000 1.401 186 M HN -0.409 7.547 8.290 -0.519 0.022 0.497 187 G N 0.515 109.229 108.800 -0.143 0.000 2.458 187 G HA2 -0.409 nan 3.960 nan 0.000 0.237 187 G HA3 -0.409 nan 3.960 nan 0.000 0.237 187 G C -1.021 173.891 174.900 0.019 0.000 1.113 187 G CA 1.119 46.197 45.100 -0.036 0.000 0.655 187 G HN 0.128 8.121 8.290 -0.174 0.194 0.513 188 K N -0.516 119.934 120.400 0.083 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.053 174.710 176.600 0.272 0.000 1.006 188 K CA -1.206 55.163 56.287 0.137 0.000 0.890 188 K CB 2.511 35.083 32.500 0.120 0.000 1.475 188 K HN -0.370 7.831 8.250 0.087 0.102 0.441 189 E N -0.185 120.123 120.200 0.181 0.000 2.285 189 E HA 0.206 nan 4.350 nan 0.000 0.254 189 E C -0.657 175.953 176.600 0.017 0.000 1.011 189 E CA -1.531 54.981 56.400 0.186 0.000 0.873 189 E CB 1.623 31.393 29.700 0.116 0.000 1.229 189 E HN 0.176 8.602 8.360 0.109 0.000 0.422 190 K N 0.212 120.596 120.400 -0.026 0.000 2.572 190 K HA 0.280 nan 4.320 nan 0.000 0.244 190 K C -1.143 175.471 176.600 0.022 0.000 0.965 190 K CA -1.426 54.800 56.287 -0.101 0.000 0.943 190 K CB 0.893 33.232 32.500 -0.268 0.000 1.154 190 K HN 0.311 8.595 8.250 0.057 0.000 0.447 191 D N 5.302 125.730 120.400 0.047 0.000 2.502 191 D HA -0.185 nan 4.640 nan 0.000 0.249 191 D C -0.019 176.301 176.300 0.034 0.000 1.188 191 D CA 1.610 55.645 54.000 0.059 0.000 0.890 191 D CB -0.078 40.764 40.800 0.071 0.000 1.140 191 D HN 0.308 8.694 8.370 0.026 0.000 0.505 192 R N -0.253 120.261 120.500 0.024 0.000 3.641 192 R HA -0.536 nan 4.340 nan 0.000 0.286 192 R C 0.646 176.919 176.300 -0.045 0.000 1.153 192 R CA 1.101 57.208 56.100 0.011 0.000 0.775 192 R CB -1.929 28.385 30.300 0.024 0.000 1.215 192 R HN 0.665 8.960 8.270 0.041 0.000 0.474 193 K N -1.041 119.299 120.400 -0.099 0.000 2.152 193 K HA -0.279 nan 4.320 nan 0.000 0.206 193 K C 1.823 178.443 176.600 0.033 0.000 1.048 193 K CA 2.787 58.941 56.287 -0.222 0.000 0.933 193 K CB -0.573 31.808 32.500 -0.198 0.000 0.721 193 K HN -0.499 7.723 8.250 -0.046 0.000 0.447 194 G N -1.107 107.756 108.800 0.104 0.000 2.434 194 G HA2 -0.262 nan 3.960 nan 0.000 0.214 194 G HA3 -0.262 nan 3.960 nan 0.000 0.214 194 G C 0.339 175.410 174.900 0.285 0.000 1.202 194 G CA 1.675 46.916 45.100 0.235 0.000 0.788 194 G HN 0.196 8.825 8.290 0.072 -0.295 0.539 195 E N 2.381 122.684 120.200 0.170 0.000 2.058 195 E HA -0.287 nan 4.350 nan 0.000 0.194 195 E C 1.975 178.643 176.600 0.114 0.000 0.997 195 E CA 2.576 59.054 56.400 0.130 0.000 0.801 195 E CB -0.168 29.583 29.700 0.085 0.000 0.746 195 E HN -0.850 7.768 8.360 0.139 -0.175 0.450 196 L N -1.003 120.286 121.223 0.110 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.154 178.184 176.870 0.267 0.000 1.092 196 L CA 2.775 57.723 54.840 0.179 0.000 0.759 196 L CB -0.514 41.632 42.059 0.146 0.000 0.903 196 L HN 0.070 8.350 8.230 0.084 0.000 0.435 197 F N 0.696 120.728 119.950 0.137 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.300 176.992 175.800 -0.180 0.000 1.087 197 F CA 3.233 61.200 58.000 -0.055 0.000 1.340 197 F CB -0.060 38.966 39.000 0.044 0.000 1.031 197 F HN -0.487 7.931 8.300 0.389 0.115 0.500 198 F N 1.467 121.002 119.950 -0.691 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.618 176.130 175.800 -0.481 0.000 1.133 198 F CA 3.004 60.377 58.000 -1.045 0.000 1.188 198 F CB -0.709 37.447 39.000 -1.408 0.000 0.968 198 F HN 0.043 8.190 8.300 -0.136 0.071 0.476 199 Y N -0.048 119.719 120.300 -0.889 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.225 175.900 -0.665 0.000 1.143 199 Y CA 3.549 61.072 58.100 -0.962 0.000 1.115 199 Y CB -0.083 38.056 38.460 -0.536 0.000 0.975 199 Y HN -0.123 8.008 8.280 -0.249 0.000 0.487 200 M N -2.068 117.193 119.600 -0.565 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.836 177.628 176.300 -0.847 0.000 1.071 200 M CA 3.049 57.887 55.300 -0.771 0.000 1.088 200 M CB -0.433 31.692 32.600 -0.791 0.000 1.360 200 M HN 0.075 8.227 8.290 -0.231 0.000 0.404 201 H N -2.057 116.640 119.070 -0.622 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.448 177.597 175.328 -0.298 0.000 1.059 201 H CA 3.962 59.797 56.048 -0.356 0.000 1.363 201 H CB -0.437 29.111 29.762 -0.357 0.000 1.410 201 H HN -0.458 7.434 8.280 -0.422 0.135 0.528 202 Q N -0.101 119.475 119.800 -0.374 0.000 2.020 202 Q HA -0.403 nan 4.340 nan 0.000 0.202 202 Q C 2.332 178.099 176.000 -0.388 0.000 0.982 202 Q CA 3.459 59.068 55.803 -0.323 0.000 0.838 202 Q CB -0.166 28.300 28.738 -0.454 0.000 0.899 202 Q HN -0.006 7.947 8.270 -0.528 0.000 0.423 203 Q N -1.152 118.208 119.800 -0.733 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.700 178.291 176.000 -0.682 0.000 0.987 203 Q CA 2.784 58.084 55.803 -0.838 0.000 0.858 203 Q CB -0.432 27.406 28.738 -1.500 0.000 0.905 203 Q HN 0.220 7.897 8.270 -0.989 0.000 0.420 204 M N -0.272 118.964 119.600 -0.608 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.522 176.300 0.248 0.000 1.071 204 M CA 4.519 59.751 55.300 -0.112 0.000 1.103 204 M CB -0.019 32.710 32.600 0.214 0.000 1.307 204 M HN 0.056 7.926 8.290 -0.700 0.000 0.409 205 C N -2.530 116.900 119.300 0.216 0.000 2.472 205 C HA -0.152 nan 4.460 nan 0.000 0.278 205 C C 2.084 177.197 174.990 0.206 0.000 1.447 205 C CA 2.439 61.660 59.018 0.338 0.000 1.773 205 C CB -2.442 25.498 27.740 0.334 0.000 1.793 205 C HN -0.177 8.106 8.230 0.088 0.000 0.544 206 A N 1.185 124.042 122.820 0.062 0.000 1.935 206 A HA -0.133 nan 4.320 nan 0.000 0.214 206 A C 1.488 179.076 177.584 0.008 0.000 1.178 206 A CA 3.033 55.086 52.037 0.027 0.000 0.640 206 A CB -0.627 18.366 19.000 -0.012 0.000 0.825 206 A HN 0.673 8.680 8.150 -0.023 0.129 0.447 207 R N -0.452 120.044 120.500 -0.007 0.000 2.083 207 R HA -0.408 nan 4.340 nan 0.000 0.237 207 R C 2.019 178.195 176.300 -0.206 0.000 1.137 207 R CA 3.576 59.659 56.100 -0.028 0.000 0.951 207 R CB -0.130 30.238 30.300 0.114 0.000 0.851 207 R HN -0.172 8.067 8.270 -0.051 0.000 0.434 208 Y N 0.486 120.605 120.300 -0.302 0.000 2.053 208 Y HA -0.481 nan 4.550 nan 0.000 0.277 208 Y C 1.345 177.072 175.900 -0.289 0.000 1.159 208 Y CA 3.476 61.312 58.100 -0.440 0.000 1.125 208 Y CB -0.151 38.131 38.460 -0.296 0.000 0.969 208 Y HN 0.156 8.568 8.280 0.220 0.000 0.492 209 D N -2.678 117.658 120.400 -0.107 0.000 2.228 209 D HA -0.398 nan 4.640 nan 0.000 0.203 209 D C 2.730 178.925 176.300 -0.175 0.000 0.988 209 D CA 3.266 57.169 54.000 -0.161 0.000 0.864 209 D CB -0.931 39.857 40.800 -0.020 0.000 0.928 209 D HN 0.028 8.333 8.370 0.103 0.127 0.469 210 S N -0.218 115.410 115.700 -0.120 0.000 2.345 210 S HA -0.210 nan 4.470 nan 0.000 0.220 210 S C 2.498 177.048 174.600 -0.084 0.000 1.031 210 S CA 3.041 61.223 58.200 -0.031 0.000 0.996 210 S CB -0.013 63.240 63.200 0.088 0.000 0.882 210 S HN -0.197 8.035 8.310 -0.101 0.017 0.445 211 E N 1.676 121.744 120.200 -0.220 0.000 2.187 211 E HA -0.413 nan 4.350 nan 0.000 0.199 211 E C 2.468 178.905 176.600 -0.272 0.000 1.004 211 E CA 3.165 59.429 56.400 -0.227 0.000 0.813 211 E CB -0.481 28.961 29.700 -0.430 0.000 0.736 211 E HN -0.121 8.005 8.360 -0.294 0.058 0.468 212 R N -1.628 118.603 120.500 -0.448 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.581 178.769 176.300 -0.185 0.000 1.137 212 R CA 3.182 59.066 56.100 -0.361 0.000 0.945 212 R CB -0.102 29.939 30.300 -0.433 0.000 0.845 212 R HN 0.247 8.164 8.270 -0.580 0.005 0.430 213 L N -1.507 119.624 121.223 -0.153 0.000 2.201 213 L HA -0.229 nan 4.340 nan 0.000 0.212 213 L C 2.701 179.528 176.870 -0.071 0.000 1.105 213 L CA 2.755 57.526 54.840 -0.115 0.000 0.775 213 L CB -0.619 41.357 42.059 -0.139 0.000 0.913 213 L HN -0.500 7.624 8.230 -0.178 0.000 0.440 214 S N 1.776 117.477 115.700 0.001 0.000 2.368 214 S HA -0.352 nan 4.470 nan 0.000 0.225 214 S C 1.707 176.321 174.600 0.023 0.000 1.030 214 S CA 4.446 62.701 58.200 0.092 0.000 0.999 214 S CB -0.541 62.753 63.200 0.156 0.000 0.844 214 S HN 0.489 8.659 8.310 -0.016 0.131 0.459 215 N N -1.476 117.221 118.700 -0.006 0.000 2.520 215 N HA -0.215 nan 4.740 nan 0.000 0.185 215 N C 0.200 175.689 175.510 -0.036 0.000 1.068 215 N CA 1.006 54.046 53.050 -0.017 0.000 0.911 215 N CB 0.226 38.703 38.487 -0.018 0.000 0.961 215 N HN -0.821 7.541 8.380 -0.017 0.008 0.446 216 G N -1.864 106.902 108.800 -0.056 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.861 174.001 174.900 -0.063 0.000 1.062 216 G CA 0.276 45.335 45.100 -0.069 0.000 0.815 216 G HN -0.416 7.623 8.290 -0.059 0.215 0.497 217 L N -2.267 118.912 121.223 -0.074 0.000 2.299 217 L HA 0.411 nan 4.340 nan 0.000 0.268 217 L C -0.753 176.066 176.870 -0.084 0.000 1.012 217 L CA -2.101 52.696 54.840 -0.072 0.000 0.816 217 L CB 2.799 44.809 42.059 -0.081 0.000 1.355 217 L HN -0.028 8.151 8.230 -0.085 0.000 0.457 218 Q N -3.275 116.484 119.800 -0.069 0.000 2.260 218 Q HA 0.176 nan 4.340 nan 0.000 0.238 218 Q C -0.390 175.561 176.000 -0.082 0.000 0.948 218 Q CA -1.001 54.763 55.803 -0.065 0.000 0.895 218 Q CB 0.980 29.696 28.738 -0.037 0.000 1.218 218 Q HN 0.036 8.273 8.270 -0.054 0.000 0.470 219 R N -0.296 120.161 120.500 -0.072 0.000 2.740 219 R HA -0.259 nan 4.340 nan 0.000 0.263 219 R C -0.144 176.156 176.300 -0.001 0.000 0.997 219 R CA 1.256 57.322 56.100 -0.055 0.000 1.108 219 R CB 0.403 30.690 30.300 -0.022 0.000 0.969 219 R HN -0.182 8.260 8.270 -0.066 -0.211 0.431 220 M N 1.905 121.540 119.600 0.059 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.374 176.014 176.300 0.145 0.000 1.342 220 M CA -1.016 54.376 55.300 0.153 0.000 1.117 220 M CB 0.790 33.597 32.600 0.345 0.000 1.670 220 M HN -0.011 8.676 8.290 0.066 -0.358 0.466 221 I N 7.102 127.748 120.570 0.127 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.380 176.117 0.144 0.000 1.140 221 I CA -2.720 58.647 61.300 0.112 0.000 1.420 221 I CB 0.966 39.017 38.000 0.085 0.000 1.387 221 I HN 0.101 8.383 8.210 0.119 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.155 176.216 177.300 0.118 0.000 1.218 222 P CA -0.871 62.324 63.100 0.158 0.000 0.780 222 P CB 0.727 32.529 31.700 0.170 0.000 0.901 223 F N 4.349 124.219 119.950 -0.133 0.000 2.661 223 F HA -0.036 nan 4.527 nan 0.000 0.356 223 F C -0.514 174.772 175.800 -0.857 0.000 1.244 223 F CA -1.192 56.581 58.000 -0.380 0.000 1.290 223 F CB -0.652 38.152 39.000 -0.327 0.000 1.677 223 F HN 0.160 8.496 8.300 0.179 0.072 0.649 224 H N 5.018 123.727 119.070 -0.601 0.000 2.436 224 H HA -0.140 nan 4.556 nan 0.000 0.294 224 H C -0.611 174.298 175.328 -0.699 0.000 1.048 224 H CA 1.434 57.168 56.048 -0.524 0.000 1.353 224 H CB 0.738 30.399 29.762 -0.168 0.000 1.414 224 H HN -0.062 8.039 8.280 -0.212 0.052 0.536 225 N N -2.370 115.875 118.700 -0.759 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.441 174.413 175.510 -1.094 0.000 1.133 225 N CA -1.414 51.279 53.050 -0.595 0.000 0.853 225 N CB 1.632 39.965 38.487 -0.258 0.000 1.241 225 N HN -0.505 7.422 8.380 -0.756 0.000 0.502 226 F N -0.600 119.005 119.950 -0.574 0.000 2.530 226 F HA -0.039 nan 4.527 nan 0.000 0.292 226 F C 0.930 176.626 175.800 -0.173 0.000 1.109 226 F CA 1.830 59.593 58.000 -0.394 0.000 1.450 226 F CB 0.729 39.673 39.000 -0.094 0.000 1.114 226 F HN 0.422 8.756 8.300 0.057 0.000 0.560 227 D N -0.812 119.586 120.400 -0.004 0.000 2.104 227 D HA -0.265 nan 4.640 nan 0.000 0.194 227 D C 0.522 176.827 176.300 0.008 0.000 0.994 227 D CA 2.443 56.446 54.000 0.004 0.000 0.830 227 D CB -0.378 40.411 40.800 -0.019 0.000 0.959 227 D HN -0.720 7.880 8.370 -0.019 -0.242 0.452 228 E N -0.317 119.843 120.200 -0.067 0.000 2.493 228 E HA 0.049 nan 4.350 nan 0.000 0.255 228 E C -1.347 175.334 176.600 0.135 0.000 0.999 228 E CA -1.184 55.210 56.400 -0.010 0.000 0.934 228 E CB -0.441 29.206 29.700 -0.087 0.000 0.940 228 E HN -0.064 8.193 8.360 -0.171 0.000 0.473 229 P HA -0.153 nan 4.420 nan 0.000 0.267 229 P C -1.596 175.853 177.300 0.249 0.000 1.195 229 P CA 0.669 63.893 63.100 0.206 0.000 0.773 229 P CB 0.346 32.143 31.700 0.162 0.000 0.837 230 L N 1.445 122.820 121.223 0.253 0.000 2.325 230 L HA 0.213 nan 4.340 nan 0.000 0.279 230 L C -0.008 176.957 176.870 0.158 0.000 1.054 230 L CA -0.661 54.291 54.840 0.186 0.000 0.804 230 L CB 1.070 43.202 42.059 0.121 0.000 1.200 230 L HN 0.269 8.561 8.230 0.285 0.109 0.436 231 E N 2.273 122.548 120.200 0.125 0.000 2.422 231 E HA -0.141 nan 4.350 nan 0.000 0.260 231 E C 0.325 176.984 176.600 0.097 0.000 1.108 231 E CA 0.618 57.086 56.400 0.114 0.000 0.943 231 E CB 0.801 30.567 29.700 0.110 0.000 0.961 231 E HN 0.306 8.737 8.360 0.119 0.000 0.443 232 G N -0.548 108.315 108.800 0.104 0.000 2.377 232 G HA2 0.386 nan 3.960 nan 0.000 0.299 232 G HA3 0.386 nan 3.960 nan 0.000 0.299 232 G C -1.756 173.254 174.900 0.184 0.000 1.150 232 G CA -0.423 44.728 45.100 0.085 0.000 0.847 232 G HN 0.017 8.375 8.290 0.114 0.000 0.501 233 Y N 3.924 124.204 120.300 -0.033 0.000 2.474 233 Y HA 0.071 nan 4.550 nan 0.000 0.326 233 Y C -2.906 172.954 175.900 -0.067 0.000 1.160 233 Y CA 0.464 58.550 58.100 -0.022 0.000 1.056 233 Y CB 4.258 42.715 38.460 -0.006 0.000 1.330 233 Y HN 0.890 9.104 8.280 0.070 0.107 0.447 234 A N 5.862 128.217 122.820 -0.774 0.000 2.293 234 A HA 0.465 nan 4.320 nan 0.000 0.312 234 A C -1.842 175.092 177.584 -1.084 0.000 1.309 234 A CA -4.426 47.137 52.037 -0.791 0.000 0.839 234 A CB 0.549 19.136 19.000 -0.689 0.000 1.155 234 A HN 0.294 7.967 8.150 -0.795 0.000 0.501 235 P HA -0.183 nan 4.420 nan 0.000 0.220 235 P C -0.720 176.548 177.300 -0.053 0.000 1.148 235 P CA 1.140 64.048 63.100 -0.320 0.000 0.803 235 P CB 0.173 31.796 31.700 -0.128 0.000 0.782 236 H N -6.885 112.095 119.070 -0.149 0.000 2.880 236 H HA -0.285 nan 4.556 nan 0.000 0.304 236 H C -1.700 173.627 175.328 -0.002 0.000 1.259 236 H CA 0.342 56.353 56.048 -0.061 0.000 1.153 236 H CB -1.889 27.845 29.762 -0.046 0.000 1.395 236 H HN 0.385 8.365 8.280 -0.421 0.047 0.420 237 L N -0.551 120.723 121.223 0.086 0.000 2.377 237 L HA 0.361 nan 4.340 nan 0.000 0.270 237 L C -1.216 175.780 176.870 0.210 0.000 0.991 237 L CA -0.907 54.008 54.840 0.126 0.000 0.851 237 L CB 1.714 43.790 42.059 0.029 0.000 1.218 237 L HN -0.286 7.968 8.230 0.040 0.000 0.420 238 T N -0.514 114.140 114.554 0.167 0.000 2.875 238 T HA 0.462 nan 4.350 nan 0.000 0.284 238 T C -0.116 174.681 174.700 0.162 0.000 0.995 238 T CA -2.440 59.746 62.100 0.143 0.000 1.060 238 T CB 1.158 70.080 68.868 0.090 0.000 0.967 238 T HN 0.119 8.446 8.240 0.145 0.000 0.476 239 S N 3.312 119.080 115.700 0.114 0.000 2.489 239 S HA 0.255 nan 4.470 nan 0.000 0.277 239 S C 1.643 176.312 174.600 0.115 0.000 1.230 239 S CA -1.303 56.969 58.200 0.120 0.000 1.053 239 S CB 0.774 63.965 63.200 -0.015 0.000 0.955 239 S HN 0.068 8.407 8.310 0.049 0.000 0.488 240 L N 1.645 122.969 121.223 0.169 0.000 2.450 240 L HA -0.071 nan 4.340 nan 0.000 0.224 240 L C 0.618 177.570 176.870 0.136 0.000 1.149 240 L CA 2.105 57.037 54.840 0.153 0.000 0.816 240 L CB -0.746 41.423 42.059 0.184 0.000 0.932 240 L HN -0.024 8.569 8.230 0.222 -0.230 0.449 241 V N -7.527 112.471 119.914 0.141 0.000 3.141 241 V HA -0.099 nan 4.120 nan 0.000 0.265 241 V C 0.421 176.548 176.094 0.056 0.000 1.126 241 V CA 0.295 62.662 62.300 0.112 0.000 1.141 241 V CB -0.975 30.909 31.823 0.101 0.000 0.743 241 V HN 0.238 8.452 8.190 0.144 0.063 0.492 242 S N -0.095 115.629 115.700 0.040 0.000 3.407 242 S HA 0.277 nan 4.470 nan 0.000 0.315 242 S C -0.307 174.303 174.600 0.018 0.000 1.211 242 S CA -0.288 57.923 58.200 0.018 0.000 1.148 242 S CB 1.107 64.308 63.200 0.003 0.000 1.511 242 S HN -0.722 7.557 8.310 0.050 0.061 0.604 243 G N 0.664 109.468 108.800 0.007 0.000 2.709 243 G HA2 0.159 nan 3.960 nan 0.000 0.208 243 G HA3 0.159 nan 3.960 nan 0.000 0.208 243 G C -0.938 173.964 174.900 0.003 0.000 1.129 243 G CA 0.069 45.174 45.100 0.008 0.000 0.793 243 G HN 0.251 8.541 8.290 0.000 0.000 0.524 244 L N 0.749 121.964 121.223 -0.013 0.000 2.425 244 L HA 0.056 nan 4.340 nan 0.000 0.225 244 L C -0.645 176.204 176.870 -0.037 0.000 1.222 244 L CA 0.586 55.408 54.840 -0.029 0.000 0.832 244 L CB 0.858 42.890 42.059 -0.045 0.000 1.238 244 L HN -0.704 7.518 8.230 -0.014 0.000 0.533 245 Q N -5.434 114.334 119.800 -0.053 0.000 2.534 245 Q HA 0.287 nan 4.340 nan 0.000 0.290 245 Q C -1.240 174.716 176.000 -0.073 0.000 0.991 245 Q CA -1.495 54.288 55.803 -0.034 0.000 0.783 245 Q CB 2.766 31.532 28.738 0.048 0.000 1.470 245 Q HN -0.210 8.025 8.270 -0.059 0.000 0.406 246 Y N 0.450 120.746 120.300 -0.005 0.000 2.802 246 Y HA -0.306 nan 4.550 nan 0.000 0.351 246 Y C -0.128 175.755 175.900 -0.029 0.000 1.237 246 Y CA 1.381 59.476 58.100 -0.008 0.000 1.599 246 Y CB -1.091 37.362 38.460 -0.012 0.000 1.214 246 Y HN -0.292 8.147 8.280 0.264 0.000 0.520 247 A N 6.526 129.392 122.820 0.077 0.000 2.567 247 A HA -0.194 nan 4.320 nan 0.000 0.240 247 A C -1.422 176.175 177.584 0.021 0.000 1.053 247 A CA 0.666 52.721 52.037 0.030 0.000 0.755 247 A CB 0.496 19.514 19.000 0.030 0.000 0.978 247 A HN 0.161 8.337 8.150 0.043 0.000 0.507 248 S N 0.023 115.699 115.700 -0.041 0.000 2.509 248 S HA 0.204 nan 4.470 nan 0.000 0.297 248 S C -0.770 173.764 174.600 -0.109 0.000 1.118 248 S CA -1.327 56.827 58.200 -0.077 0.000 1.074 248 S CB 2.131 65.234 63.200 -0.161 0.000 1.038 248 S HN -0.364 7.910 8.310 -0.059 0.000 0.498 249 R N 3.387 123.826 120.500 -0.103 0.000 2.234 249 R HA 0.448 nan 4.340 nan 0.000 0.324 249 R C -1.690 174.467 176.300 -0.238 0.000 1.054 249 R CA -2.848 53.124 56.100 -0.213 0.000 0.912 249 R CB 0.759 30.974 30.300 -0.142 0.000 1.030 249 R HN 0.145 8.389 8.270 -0.043 0.000 0.455 250 P HA -0.044 nan 4.420 nan 0.000 0.272 250 P C -1.288 175.897 177.300 -0.192 0.000 1.230 250 P CA -0.370 62.585 63.100 -0.242 0.000 0.788 250 P CB 0.438 32.054 31.700 -0.140 0.000 0.949 251 E N 0.431 120.655 120.200 0.040 0.000 2.410 251 E HA -0.190 nan 4.350 nan 0.000 0.255 251 E C 0.575 177.365 176.600 0.316 0.000 1.194 251 E CA 0.093 56.581 56.400 0.148 0.000 0.955 251 E CB -0.001 29.773 29.700 0.124 0.000 0.988 251 E HN -0.032 8.353 8.360 0.043 0.000 0.461 252 G N -0.446 108.524 108.800 0.283 0.000 2.182 252 G HA2 -0.370 nan 3.960 nan 0.000 0.248 252 G HA3 -0.370 nan 3.960 nan 0.000 0.248 252 G C -0.867 174.209 174.900 0.294 0.000 1.042 252 G CA 0.392 45.642 45.100 0.250 0.000 0.775 252 G HN -0.123 8.305 8.290 0.229 0.000 0.501 253 Y N -0.123 120.244 120.300 0.111 0.000 2.369 253 Y HA 0.130 nan 4.550 nan 0.000 0.337 253 Y C -0.786 175.212 175.900 0.164 0.000 0.961 253 Y CA -2.674 55.509 58.100 0.138 0.000 1.186 253 Y CB 0.311 38.847 38.460 0.128 0.000 1.139 253 Y HN -0.838 7.691 8.280 0.445 0.018 0.494 254 S N 4.043 119.830 115.700 0.145 0.000 2.560 254 S HA 0.007 nan 4.470 nan 0.000 0.284 254 S C -0.280 174.459 174.600 0.232 0.000 1.327 254 S CA 0.162 58.440 58.200 0.131 0.000 1.055 254 S CB 0.759 63.946 63.200 -0.022 0.000 0.868 254 S HN 0.521 8.846 8.310 0.025 0.000 0.506 255 I N 5.799 126.503 120.570 0.224 0.000 2.993 255 I HA -0.156 nan 4.170 nan 0.000 0.286 255 I C -1.747 174.458 176.117 0.148 0.000 1.215 255 I CA 0.358 61.817 61.300 0.264 0.000 1.393 255 I CB 0.824 39.042 38.000 0.363 0.000 1.371 255 I HN 0.075 8.421 8.210 0.226 0.000 0.602 256 H N 4.538 123.678 119.070 0.117 0.000 2.894 256 H HA 0.229 nan 4.556 nan 0.000 0.367 256 H C -1.607 173.755 175.328 0.056 0.000 1.144 256 H CA -1.000 55.093 56.048 0.074 0.000 1.180 256 H CB 3.624 33.430 29.762 0.072 0.000 1.758 256 H HN 0.348 8.808 8.280 0.300 0.000 0.541 257 D N 1.844 122.321 120.400 0.128 0.000 2.364 257 D HA 0.109 nan 4.640 nan 0.000 0.236 257 D C -0.856 175.490 176.300 0.077 0.000 1.221 257 D CA 1.107 55.139 54.000 0.052 0.000 0.891 257 D CB 0.552 41.352 40.800 0.001 0.000 1.190 257 D HN 0.066 8.492 8.370 0.092 0.000 0.449 258 L N -0.887 120.358 121.223 0.037 0.000 2.323 258 L HA 0.291 nan 4.340 nan 0.000 0.265 258 L C 0.466 177.364 176.870 0.048 0.000 1.012 258 L CA -1.052 53.830 54.840 0.071 0.000 0.820 258 L CB 2.356 44.475 42.059 0.100 0.000 1.334 258 L HN 0.226 8.447 8.230 -0.015 0.000 0.427 259 S N 0.846 116.601 115.700 0.091 0.000 2.465 259 S HA -0.281 nan 4.470 nan 0.000 0.241 259 S C 0.032 174.671 174.600 0.065 0.000 1.000 259 S CA 2.796 61.047 58.200 0.085 0.000 0.964 259 S CB -0.204 63.074 63.200 0.131 0.000 0.763 259 S HN 0.809 9.192 8.310 0.121 0.000 0.512 260 D N 0.817 121.246 120.400 0.048 0.000 2.429 260 D HA -0.002 nan 4.640 nan 0.000 0.242 260 D C -0.500 175.682 176.300 -0.196 0.000 1.076 260 D CA 0.728 54.697 54.000 -0.052 0.000 0.955 260 D CB 0.813 41.600 40.800 -0.020 0.000 1.076 260 D HN 0.052 8.448 8.370 0.096 0.032 0.448 261 V N 1.174 120.905 119.914 -0.305 0.000 2.628 261 V HA 0.145 nan 4.120 nan 0.000 0.306 261 V C -1.278 174.652 176.094 -0.273 0.000 1.045 261 V CA -1.471 60.583 62.300 -0.412 0.000 0.905 261 V CB 2.773 34.147 31.823 -0.749 0.000 0.997 261 V HN -0.425 7.634 8.190 -0.218 0.000 0.436 262 D N 3.696 123.921 120.400 -0.292 0.000 2.339 262 D HA 0.057 nan 4.640 nan 0.000 0.245 262 D C 1.116 177.241 176.300 -0.291 0.000 1.115 262 D CA -0.182 53.675 54.000 -0.239 0.000 0.917 262 D CB 0.889 41.555 40.800 -0.223 0.000 1.192 262 D HN -0.058 8.115 8.370 -0.329 0.000 0.428 263 V N 0.635 120.422 119.914 -0.213 0.000 2.490 263 V HA -0.414 nan 4.120 nan 0.000 0.250 263 V C 1.778 177.625 176.094 -0.412 0.000 1.061 263 V CA 4.041 66.193 62.300 -0.247 0.000 1.064 263 V CB -0.906 30.831 31.823 -0.143 0.000 0.670 263 V HN 0.189 8.614 8.190 -0.155 -0.328 0.461 264 Q N -0.187 119.401 119.800 -0.353 0.000 2.030 264 Q HA -0.468 nan 4.340 nan 0.000 0.204 264 Q C 1.472 177.179 176.000 -0.489 0.000 0.986 264 Q CA 3.910 59.490 55.803 -0.371 0.000 0.843 264 Q CB -0.452 28.122 28.738 -0.273 0.000 0.904 264 Q HN 0.154 8.236 8.270 -0.280 0.020 0.420 265 D N 0.064 120.103 120.400 -0.602 0.000 2.218 265 D HA -0.232 nan 4.640 nan 0.000 0.204 265 D C 2.481 177.916 176.300 -1.442 0.000 0.976 265 D CA 3.261 56.696 54.000 -0.942 0.000 0.853 265 D CB -0.146 40.075 40.800 -0.964 0.000 0.939 265 D HN -0.283 8.035 8.370 -0.513 -0.256 0.481 266 M N -0.859 118.139 119.600 -1.003 0.000 2.065 266 M HA -0.333 nan 4.480 nan 0.000 0.259 266 M C 2.358 178.480 176.300 -0.297 0.000 1.069 266 M CA 3.235 58.253 55.300 -0.470 0.000 1.110 266 M CB -0.913 31.578 32.600 -0.182 0.000 1.328 266 M HN -0.498 7.298 8.290 -0.797 0.015 0.405 267 V N -0.247 119.359 119.914 -0.513 0.000 2.343 267 V HA -0.488 nan 4.120 nan 0.000 0.247 267 V C 2.233 178.193 176.094 -0.223 0.000 1.051 267 V CA 4.227 66.285 62.300 -0.404 0.000 1.036 267 V CB -1.153 30.386 31.823 -0.474 0.000 0.654 267 V HN -0.089 7.650 8.190 -0.603 0.090 0.451 268 R N -0.482 119.825 120.500 -0.322 0.000 2.122 268 R HA -0.439 nan 4.340 nan 0.000 0.236 268 R C 2.008 178.210 176.300 -0.163 0.000 1.129 268 R CA 3.893 59.826 56.100 -0.278 0.000 0.925 268 R CB -0.112 29.953 30.300 -0.392 0.000 0.850 268 R HN 0.327 8.241 8.270 -0.416 0.106 0.431 269 W N -2.810 118.390 121.300 -0.168 0.000 2.305 269 W HA -0.319 nan 4.660 nan 0.000 0.308 269 W C 2.488 178.957 176.519 -0.084 0.000 1.226 269 W CA 2.233 59.482 57.345 -0.159 0.000 1.253 269 W CB -1.018 28.412 29.460 -0.050 0.000 1.146 269 W HN 0.068 7.919 8.180 -0.548 0.000 0.507 270 R N -1.610 119.016 120.500 0.211 0.000 2.073 270 R HA -0.450 nan 4.340 nan 0.000 0.234 270 R C 2.125 178.454 176.300 0.047 0.000 1.134 270 R CA 3.732 59.915 56.100 0.139 0.000 0.952 270 R CB -0.214 30.217 30.300 0.219 0.000 0.850 270 R HN -0.566 7.824 8.270 0.207 0.005 0.433 271 E N -1.625 118.584 120.200 0.016 0.000 2.106 271 E HA -0.252 nan 4.350 nan 0.000 0.192 271 E C 2.780 179.370 176.600 -0.016 0.000 0.984 271 E CA 2.341 58.736 56.400 -0.009 0.000 0.806 271 E CB -0.873 28.812 29.700 -0.024 0.000 0.750 271 E HN -0.547 7.816 8.360 0.005 0.000 0.458 272 R N -0.946 119.524 120.500 -0.050 0.000 2.127 272 R HA -0.260 nan 4.340 nan 0.000 0.238 272 R C 3.046 179.388 176.300 0.070 0.000 1.134 272 R CA 3.030 59.071 56.100 -0.098 0.000 0.975 272 R CB -0.177 29.808 30.300 -0.526 0.000 0.865 272 R HN -0.077 8.153 8.270 -0.067 0.000 0.447 273 I N -0.010 120.620 120.570 0.100 0.000 2.235 273 I HA -0.390 nan 4.170 nan 0.000 0.241 273 I C 1.439 177.528 176.117 -0.048 0.000 1.085 273 I CA 3.669 65.028 61.300 0.098 0.000 1.378 273 I CB 0.083 38.088 38.000 0.009 0.000 1.076 273 I HN -0.144 7.974 8.210 0.058 0.127 0.415 274 L N -1.029 120.155 121.223 -0.066 0.000 2.083 274 L HA -0.484 nan 4.340 nan 0.000 0.209 274 L C 2.164 178.968 176.870 -0.110 0.000 1.083 274 L CA 3.273 58.049 54.840 -0.107 0.000 0.752 274 L CB -0.844 41.173 42.059 -0.071 0.000 0.899 274 L HN 0.126 8.336 8.230 -0.033 0.000 0.433 275 D N -0.880 119.479 120.400 -0.068 0.000 2.117 275 D HA -0.302 nan 4.640 nan 0.000 0.197 275 D C 1.529 177.745 176.300 -0.140 0.000 0.987 275 D CA 3.700 57.656 54.000 -0.073 0.000 0.829 275 D CB -0.131 40.654 40.800 -0.024 0.000 0.961 275 D HN 0.132 8.479 8.370 -0.039 0.000 0.460 276 A N -1.029 121.711 122.820 -0.133 0.000 2.015 276 A HA -0.172 nan 4.320 nan 0.000 0.219 276 A C 2.272 179.647 177.584 -0.348 0.000 1.163 276 A CA 2.712 54.600 52.037 -0.248 0.000 0.646 276 A CB -0.773 18.185 19.000 -0.070 0.000 0.806 276 A HN -0.704 7.319 8.150 -0.049 0.097 0.448 277 I N -1.961 118.403 120.570 -0.344 0.000 2.142 277 I HA -0.543 nan 4.170 nan 0.000 0.240 277 I C 1.771 177.523 176.117 -0.609 0.000 1.078 277 I CA 3.926 64.947 61.300 -0.465 0.000 1.343 277 I CB -0.399 37.384 38.000 -0.362 0.000 1.046 277 I HN -0.001 8.049 8.210 -0.266 0.000 0.405 278 N N -1.147 117.342 118.700 -0.352 0.000 2.104 278 N HA -0.229 nan 4.740 nan 0.000 0.190 278 N C 2.189 177.651 175.510 -0.079 0.000 1.024 278 N CA 2.841 55.770 53.050 -0.201 0.000 0.853 278 N CB 0.030 38.467 38.487 -0.084 0.000 1.008 278 N HN -0.579 7.645 8.380 -0.259 0.000 0.424 279 M N -2.231 117.273 119.600 -0.160 0.000 2.476 279 M HA -0.213 nan 4.480 nan 0.000 0.262 279 M C -0.465 175.841 176.300 0.011 0.000 1.079 279 M CA 2.469 57.700 55.300 -0.114 0.000 1.104 279 M CB 0.237 32.559 32.600 -0.463 0.000 1.409 279 M HN 0.406 8.452 8.290 -0.226 0.109 0.467 280 H N -6.943 112.060 119.070 -0.112 0.000 2.936 280 H HA -0.386 nan 4.556 nan 0.000 0.276 280 H C -1.534 173.861 175.328 0.113 0.000 1.216 280 H CA 1.346 57.414 56.048 0.033 0.000 1.132 280 H CB -3.088 26.759 29.762 0.142 0.000 1.303 280 H HN -0.238 7.530 8.280 -0.435 0.251 0.370 281 Y N -6.598 113.743 120.300 0.068 0.000 2.670 281 Y HA 0.850 nan 4.550 nan 0.000 0.334 281 Y C -2.525 173.399 175.900 0.041 0.000 1.185 281 Y CA -2.260 55.878 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 -0.432 7.615 8.280 -0.388 0.000 0.459 282 I N -4.187 116.589 120.570 0.345 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.501 174.808 176.117 0.320 0.000 1.078 282 I CA -1.725 59.747 61.300 0.286 0.000 1.048 282 I CB 3.836 41.865 38.000 0.048 0.000 1.239 282 I HN 0.154 8.569 8.210 0.341 0.000 0.421 283 V N -1.791 118.331 119.914 0.348 0.000 2.348 283 V HA 0.425 nan 4.120 nan 0.000 0.270 283 V C -0.139 176.073 176.094 0.196 0.000 1.037 283 V CA -2.485 59.928 62.300 0.187 0.000 0.872 283 V CB -0.852 30.995 31.823 0.041 0.000 1.002 283 V HN -0.211 8.270 8.190 0.485 0.000 0.464 284 D N 7.815 128.291 120.400 0.127 0.000 2.398 284 D HA 0.169 nan 4.640 nan 0.000 0.247 284 D C 1.347 177.693 176.300 0.076 0.000 1.227 284 D CA -0.896 53.172 54.000 0.112 0.000 0.980 284 D CB 0.938 41.781 40.800 0.072 0.000 1.106 284 D HN -0.455 7.975 8.370 0.100 0.000 0.493 285 K N -0.252 120.191 120.400 0.071 0.000 2.589 285 K HA -0.290 nan 4.320 nan 0.000 0.195 285 K C 0.093 176.707 176.600 0.025 0.000 1.040 285 K CA 2.353 58.668 56.287 0.047 0.000 0.950 285 K CB -0.714 31.816 32.500 0.051 0.000 0.781 285 K HN 0.518 8.819 8.250 0.084 0.000 0.486 286 D N -5.470 114.941 120.400 0.019 0.000 2.379 286 D HA -0.009 nan 4.640 nan 0.000 0.208 286 D C -0.156 176.141 176.300 -0.006 0.000 1.065 286 D CA -0.667 53.337 54.000 0.006 0.000 0.848 286 D CB -0.335 40.469 40.800 0.006 0.000 0.949 286 D HN -0.536 7.775 8.370 0.027 0.075 0.509 287 N N -3.572 115.122 118.700 -0.010 0.000 2.994 287 N HA -0.415 nan 4.740 nan 0.000 0.221 287 N C -1.159 174.334 175.510 -0.027 0.000 0.900 287 N CA 1.521 54.552 53.050 -0.031 0.000 1.008 287 N CB -1.577 36.885 38.487 -0.042 0.000 1.053 287 N HN 0.432 8.696 8.380 0.002 0.117 0.580 288 N N 1.900 120.592 118.700 -0.014 0.000 2.488 288 N HA 0.039 nan 4.740 nan 0.000 0.274 288 N C -0.949 174.550 175.510 -0.019 0.000 1.111 288 N CA 0.436 53.470 53.050 -0.027 0.000 0.974 288 N CB 1.053 39.528 38.487 -0.019 0.000 1.089 288 N HN -0.458 8.183 8.380 -0.002 -0.262 0.465 289 K N 2.563 122.919 120.400 -0.075 0.000 2.315 289 K HA 0.199 nan 4.320 nan 0.000 0.291 289 K C -0.247 176.339 176.600 -0.024 0.000 1.074 289 K CA -0.256 55.974 56.287 -0.096 0.000 0.936 289 K CB -0.531 31.720 32.500 -0.415 0.000 1.049 289 K HN 0.161 8.348 8.250 -0.104 0.000 0.471 290 I N 0.837 121.441 120.570 0.057 0.000 2.488 290 I HA 0.548 nan 4.170 nan 0.000 0.299 290 I C -2.041 174.148 176.117 0.121 0.000 0.984 290 I CA -3.336 58.001 61.300 0.062 0.000 1.250 290 I CB 0.991 39.019 38.000 0.047 0.000 1.389 290 I HN 0.293 8.555 8.210 0.087 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.717 176.711 177.300 0.212 0.000 1.216 291 P CA -0.183 63.027 63.100 0.184 0.000 0.771 291 P CB 0.120 31.913 31.700 0.154 0.000 0.864 292 L N 5.604 126.980 121.223 0.256 0.000 2.391 292 L HA -0.052 nan 4.340 nan 0.000 0.249 292 L C -0.552 176.599 176.870 0.469 0.000 1.308 292 L CA -0.835 54.190 54.840 0.309 0.000 1.209 292 L CB -1.355 40.782 42.059 0.130 0.000 1.401 292 L HN 0.269 8.580 8.230 0.285 0.090 0.416 293 D N 3.103 123.708 120.400 0.342 0.000 2.354 293 D HA -0.098 nan 4.640 nan 0.000 0.238 293 D C 1.012 177.373 176.300 0.101 0.000 1.250 293 D CA 0.128 54.265 54.000 0.228 0.000 0.911 293 D CB 2.132 43.067 40.800 0.226 0.000 1.163 293 D HN -0.346 8.134 8.370 0.298 0.069 0.456 294 I N -0.051 120.364 120.570 -0.258 0.000 2.113 294 I HA -0.477 nan 4.170 nan 0.000 0.238 294 I C 1.610 177.379 176.117 -0.581 0.000 1.070 294 I CA 3.558 64.308 61.300 -0.917 0.000 1.332 294 I CB 0.149 37.718 38.000 -0.717 0.000 1.044 294 I HN 0.123 8.241 8.210 -0.153 0.000 0.402 295 E N -1.933 118.038 120.200 -0.381 0.000 2.001 295 E HA -0.357 nan 4.350 nan 0.000 0.193 295 E C 2.914 179.353 176.600 -0.268 0.000 0.994 295 E CA 2.898 59.066 56.400 -0.386 0.000 0.815 295 E CB -0.084 29.236 29.700 -0.632 0.000 0.770 295 E HN -0.615 7.666 8.360 -0.333 -0.121 0.453 296 H N -1.091 118.000 119.070 0.035 0.000 2.421 296 H HA -0.183 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.975 175.328 0.145 0.000 1.087 296 H CA 2.701 58.795 56.048 0.077 0.000 1.330 296 H CB -0.352 29.449 29.762 0.066 0.000 1.388 296 H HN 0.083 8.453 8.280 -0.452 -0.361 0.526 297 G N -1.650 107.338 108.800 0.315 0.000 2.550 297 G HA2 -0.468 nan 3.960 nan 0.000 0.222 297 G HA3 -0.468 nan 3.960 nan 0.000 0.222 297 G C 0.769 175.908 174.900 0.399 0.000 1.113 297 G CA 2.490 47.868 45.100 0.465 0.000 0.748 297 G HN -0.211 8.199 8.290 0.260 0.036 0.585 298 T N 2.210 116.961 114.554 0.328 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.766 176.607 174.700 0.235 0.000 1.078 298 T CA 3.775 66.046 62.100 0.284 0.000 1.132 298 T CB -0.301 68.676 68.868 0.182 0.000 0.900 298 T HN -0.714 7.627 8.240 0.257 0.053 0.480 299 D N 2.845 123.357 120.400 0.186 0.000 2.123 299 D HA -0.091 nan 4.640 nan 0.000 0.200 299 D C 1.306 177.701 176.300 0.157 0.000 0.976 299 D CA 2.920 57.016 54.000 0.160 0.000 0.831 299 D CB 0.006 40.885 40.800 0.133 0.000 0.974 299 D HN -0.110 8.367 8.370 0.179 0.000 0.469 300 I N -4.036 116.624 120.570 0.149 0.000 2.928 300 I HA -0.056 nan 4.170 nan 0.000 0.266 300 I C 1.621 177.757 176.117 0.032 0.000 1.234 300 I CA 2.687 64.040 61.300 0.088 0.000 1.483 300 I CB -0.015 38.034 38.000 0.081 0.000 1.097 300 I HN -0.397 7.919 8.210 0.177 0.000 0.455 301 L N 0.857 122.127 121.223 0.078 0.000 2.162 301 L HA 0.001 nan 4.340 nan 0.000 0.205 301 L C 1.373 178.339 176.870 0.161 0.000 1.086 301 L CA 2.119 56.959 54.840 -0.001 0.000 0.778 301 L CB -0.067 41.979 42.059 -0.022 0.000 0.928 301 L HN 0.219 8.443 8.230 0.157 0.100 0.446 302 G N -1.609 107.444 108.800 0.421 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.809 174.900 0.276 0.000 1.162 302 G CA 2.492 47.959 45.100 0.613 0.000 0.777 302 G HN -0.054 8.358 8.290 0.376 0.104 0.539 303 D N 0.871 121.347 120.400 0.126 0.000 2.097 303 D HA -0.323 nan 4.640 nan 0.000 0.195 303 D C 2.130 178.420 176.300 -0.017 0.000 0.989 303 D CA 2.817 56.826 54.000 0.014 0.000 0.827 303 D CB -0.718 40.102 40.800 0.034 0.000 0.966 303 D HN 0.167 8.627 8.370 0.151 0.000 0.456 304 I N -0.531 120.032 120.570 -0.012 0.000 2.127 304 I HA -0.465 nan 4.170 nan 0.000 0.241 304 I C 2.094 178.194 176.117 -0.028 0.000 1.075 304 I CA 3.134 64.405 61.300 -0.049 0.000 1.334 304 I CB 0.207 38.090 38.000 -0.195 0.000 1.040 304 I HN -0.894 7.315 8.210 -0.002 0.000 0.405 305 I N -1.732 118.830 120.570 -0.013 0.000 2.394 305 I HA -0.453 nan 4.170 nan 0.000 0.251 305 I C 1.371 177.563 176.117 0.124 0.000 1.136 305 I CA 2.216 63.540 61.300 0.039 0.000 1.425 305 I CB -0.765 37.214 38.000 -0.036 0.000 1.079 305 I HN -0.016 8.185 8.210 -0.016 0.000 0.425 306 E N 0.086 120.289 120.200 0.005 0.000 2.023 306 E HA -0.295 nan 4.350 nan 0.000 0.196 306 E C -0.123 176.506 176.600 0.048 0.000 1.003 306 E CA 3.582 59.900 56.400 -0.136 0.000 0.809 306 E CB 0.098 29.382 29.700 -0.694 0.000 0.755 306 E HN -0.429 7.881 8.360 -0.045 0.024 0.449 307 S N -4.591 111.100 115.700 -0.015 0.000 2.687 307 S HA 0.317 nan 4.470 nan 0.000 0.283 307 S C -0.511 174.060 174.600 -0.048 0.000 1.170 307 S CA -0.765 57.413 58.200 -0.037 0.000 1.008 307 S CB 1.817 65.008 63.200 -0.016 0.000 1.026 307 S HN -0.515 7.778 8.310 -0.028 0.000 0.541 308 S N 0.578 116.257 115.700 -0.036 0.000 2.738 308 S HA 0.212 nan 4.470 nan 0.000 0.284 308 S C 1.420 176.033 174.600 0.021 0.000 1.146 308 S CA -0.413 57.784 58.200 -0.004 0.000 0.997 308 S CB 1.402 64.605 63.200 0.004 0.000 1.081 308 S HN 0.386 8.583 8.310 -0.033 0.094 0.553 309 D N 3.410 123.828 120.400 0.030 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.029 177.346 176.300 0.029 0.000 0.990 309 D CA 3.147 57.162 54.000 0.026 0.000 0.839 309 D CB -0.081 40.720 40.800 0.002 0.000 0.948 309 D HN 0.554 8.944 8.370 0.034 0.000 0.460 310 E N -1.675 118.548 120.200 0.039 0.000 2.510 310 E HA -0.172 nan 4.350 nan 0.000 0.202 310 E C -0.505 176.118 176.600 0.039 0.000 1.072 310 E CA 0.816 57.242 56.400 0.043 0.000 0.883 310 E CB -0.416 29.319 29.700 0.058 0.000 0.818 310 E HN 0.218 8.608 8.360 0.049 0.000 0.548 311 S N -0.235 115.486 115.700 0.036 0.000 2.429 311 S HA -0.096 nan 4.470 nan 0.000 0.292 311 S C 0.280 174.923 174.600 0.072 0.000 1.183 311 S CA 0.156 58.383 58.200 0.044 0.000 1.088 311 S CB -0.021 63.204 63.200 0.042 0.000 1.018 311 S HN -0.630 7.488 8.310 0.032 0.211 0.511 312 K N 4.450 124.894 120.400 0.073 0.000 2.113 312 K HA -0.265 nan 4.320 nan 0.000 0.208 312 K C -0.531 176.161 176.600 0.154 0.000 1.047 312 K CA 2.377 58.721 56.287 0.094 0.000 0.928 312 K CB 0.177 32.724 32.500 0.078 0.000 0.716 312 K HN -0.061 8.218 8.250 0.049 0.000 0.446 313 N N -4.694 114.162 118.700 0.260 0.000 2.249 313 N HA 0.208 nan 4.740 nan 0.000 0.296 313 N C -0.141 175.517 175.510 0.247 0.000 1.051 313 N CA -1.295 51.921 53.050 0.277 0.000 0.815 313 N CB 2.502 41.188 38.487 0.332 0.000 1.487 313 N HN -0.472 8.083 8.380 0.292 0.000 0.475 314 V N -0.690 119.301 119.914 0.128 0.000 2.581 314 V HA 0.277 nan 4.120 nan 0.000 0.240 314 V C 1.173 177.267 176.094 0.002 0.000 1.054 314 V CA 2.014 64.348 62.300 0.057 0.000 1.076 314 V CB 0.356 32.217 31.823 0.063 0.000 0.748 314 V HN 0.505 8.766 8.190 0.120 0.000 0.474 315 E N 1.558 121.796 120.200 0.063 0.000 2.107 315 E HA -0.362 nan 4.350 nan 0.000 0.191 315 E C 1.733 178.408 176.600 0.125 0.000 0.982 315 E CA 2.803 59.267 56.400 0.106 0.000 0.809 315 E CB -0.344 29.434 29.700 0.131 0.000 0.756 315 E HN -0.281 8.268 8.360 0.088 -0.136 0.459 316 Y N 0.687 120.931 120.300 -0.092 0.000 2.206 316 Y HA -0.312 nan 4.550 nan 0.000 0.292 316 Y C 2.095 177.759 175.900 -0.393 0.000 1.123 316 Y CA 4.425 62.380 58.100 -0.242 0.000 1.142 316 Y CB 0.694 38.893 38.460 -0.435 0.000 1.006 316 Y HN -0.336 8.273 8.280 0.119 -0.257 0.518 317 Y N -3.893 116.320 120.300 -0.145 0.000 2.462 317 Y HA -0.026 nan 4.550 nan 0.000 0.261 317 Y C -0.134 175.343 175.900 -0.705 0.000 1.146 317 Y CA 0.644 58.574 58.100 -0.284 0.000 1.283 317 Y CB 0.270 38.660 38.460 -0.117 0.000 1.090 317 Y HN -0.314 7.880 8.280 -0.143 0.000 0.526 318 G N -1.180 106.996 108.800 -1.041 0.000 2.553 318 G HA2 -0.379 nan 3.960 nan 0.000 0.242 318 G HA3 -0.379 nan 3.960 nan 0.000 0.242 318 G C -2.123 172.445 174.900 -0.553 0.000 1.277 318 G CA 0.007 44.087 45.100 -1.701 0.000 0.910 318 G HN -0.280 7.549 8.290 -0.606 0.097 0.576 319 S N 0.088 115.625 115.700 -0.271 0.000 2.327 319 S HA 0.223 nan 4.470 nan 0.000 0.203 319 S C 0.348 175.068 174.600 0.200 0.000 1.326 319 S CA -0.690 57.519 58.200 0.015 0.000 1.248 319 S CB 0.501 63.643 63.200 -0.097 0.000 1.199 319 S HN 0.159 8.274 8.310 -0.325 0.000 0.422 320 L N 6.361 127.722 121.223 0.230 0.000 2.081 320 L HA -0.409 nan 4.340 nan 0.000 0.212 320 L C 0.350 177.598 176.870 0.630 0.000 1.080 320 L CA 3.372 58.523 54.840 0.518 0.000 0.754 320 L CB -0.366 41.978 42.059 0.475 0.000 0.893 320 L HN -0.081 8.219 8.230 0.116 0.000 0.433 321 H N -0.379 118.948 119.070 0.429 0.000 2.253 321 H HA -0.439 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.461 175.328 0.142 0.000 1.074 321 H CA 4.524 60.854 56.048 0.470 0.000 1.263 321 H CB -0.210 29.786 29.762 0.391 0.000 1.363 321 H HN 0.001 8.541 8.280 0.462 0.018 0.489 322 N N -0.257 118.180 118.700 -0.439 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.269 175.510 -0.694 0.000 1.030 322 N CA 2.666 55.220 53.050 -0.826 0.000 0.849 322 N CB -0.638 37.588 38.487 -0.434 0.000 1.012 322 N HN -0.407 7.968 8.380 -0.007 0.000 0.423 323 W N -0.916 120.272 121.300 -0.188 0.000 2.335 323 W HA -0.306 nan 4.660 nan 0.000 0.311 323 W C 1.892 178.285 176.519 -0.211 0.000 1.213 323 W CA 3.043 60.353 57.345 -0.057 0.000 1.274 323 W CB -0.097 29.491 29.460 0.212 0.000 1.148 323 W HN 0.349 8.488 8.180 -0.068 0.000 0.498 324 G N -3.381 105.297 108.800 -0.202 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 1.146 175.501 174.900 -0.908 0.000 1.136 324 G CA 2.160 46.689 45.100 -0.952 0.000 0.759 324 G HN 0.192 8.494 8.290 0.021 0.000 0.562 325 H N 1.601 120.105 119.070 -0.942 0.000 2.353 325 H HA -0.297 nan 4.556 nan 0.000 0.300 325 H C 2.397 177.495 175.328 -0.383 0.000 1.090 325 H CA 3.601 59.193 56.048 -0.759 0.000 1.327 325 H CB 0.242 29.267 29.762 -1.228 0.000 1.383 325 H HN -0.527 7.191 8.280 -0.721 0.130 0.508 326 V N -1.442 118.407 119.914 -0.109 0.000 2.220 326 V HA -0.490 nan 4.120 nan 0.000 0.246 326 V C 2.057 178.185 176.094 0.057 0.000 1.049 326 V CA 3.806 66.169 62.300 0.105 0.000 1.003 326 V CB -0.860 31.105 31.823 0.237 0.000 0.634 326 V HN -0.407 7.570 8.190 -0.205 0.090 0.444 327 M N -2.616 117.013 119.600 0.048 0.000 2.144 327 M HA -0.418 nan 4.480 nan 0.000 0.260 327 M C 2.201 178.490 176.300 -0.017 0.000 1.067 327 M CA 3.504 58.834 55.300 0.049 0.000 1.095 327 M CB -0.279 32.374 32.600 0.088 0.000 1.365 327 M HN -0.769 7.572 8.290 0.085 0.000 0.406 328 M N -3.143 116.358 119.600 -0.165 0.000 2.562 328 M HA -0.109 nan 4.480 nan 0.000 0.257 328 M C 0.719 176.963 176.300 -0.093 0.000 1.099 328 M CA 2.381 57.562 55.300 -0.198 0.000 1.099 328 M CB 0.326 32.681 32.600 -0.408 0.000 1.427 328 M HN -0.052 8.081 8.290 -0.263 0.000 0.489 329 A N -1.552 121.245 122.820 -0.039 0.000 2.055 329 A HA 0.121 nan 4.320 nan 0.000 0.205 329 A C 0.228 177.846 177.584 0.056 0.000 1.235 329 A CA 1.896 53.946 52.037 0.023 0.000 0.822 329 A CB 0.832 19.872 19.000 0.067 0.000 0.903 329 A HN 0.115 8.061 8.150 -0.036 0.183 0.473 330 N N -1.292 117.445 118.700 0.060 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.400 176.971 175.510 0.101 0.000 1.144 330 N CA -0.394 52.701 53.050 0.074 0.000 0.837 330 N CB -0.964 37.556 38.487 0.053 0.000 1.069 330 N HN 0.286 8.699 8.380 0.055 0.000 0.487 331 I N -1.498 119.135 120.570 0.105 0.000 2.850 331 I HA -0.239 nan 4.170 nan 0.000 0.266 331 I C 0.242 176.493 176.117 0.223 0.000 1.257 331 I CA 1.701 63.103 61.300 0.170 0.000 1.465 331 I CB -0.130 37.953 38.000 0.139 0.000 1.091 331 I HN -0.175 7.955 8.210 0.076 0.126 0.467 332 T N -0.637 114.009 114.554 0.153 0.000 3.009 332 T HA -0.057 nan 4.350 nan 0.000 0.258 332 T C -1.281 173.539 174.700 0.199 0.000 1.063 332 T CA 1.436 63.648 62.100 0.188 0.000 1.139 332 T CB 0.770 69.708 68.868 0.118 0.000 0.890 332 T HN -0.001 8.251 8.240 0.117 0.058 0.471 333 D N -1.498 118.996 120.400 0.157 0.000 3.117 333 D HA 0.404 nan 4.640 nan 0.000 0.241 333 D C -2.219 174.169 176.300 0.145 0.000 1.385 333 D CA -1.323 52.778 54.000 0.168 0.000 0.855 333 D CB 0.589 41.582 40.800 0.321 0.000 1.498 333 D HN -0.303 7.964 8.370 0.129 0.181 0.584 334 P HA -0.138 nan 4.420 nan 0.000 0.217 334 P C 0.864 178.226 177.300 0.103 0.000 1.154 334 P CA 1.758 64.915 63.100 0.094 0.000 0.841 334 P CB 0.134 31.892 31.700 0.097 0.000 0.788 335 D N -1.941 118.488 120.400 0.048 0.000 2.158 335 D HA -0.267 nan 4.640 nan 0.000 0.197 335 D C 0.557 176.888 176.300 0.052 0.000 0.995 335 D CA 2.091 56.099 54.000 0.013 0.000 0.846 335 D CB -0.163 40.589 40.800 -0.080 0.000 0.941 335 D HN 0.156 8.533 8.370 0.011 0.000 0.456 336 H N -3.806 115.217 119.070 -0.078 0.000 3.211 336 H HA -0.352 nan 4.556 nan 0.000 0.240 336 H C 0.610 175.901 175.328 -0.061 0.000 1.148 336 H CA 1.052 57.075 56.048 -0.041 0.000 1.160 336 H CB -1.067 28.692 29.762 -0.004 0.000 1.232 336 H HN -0.320 8.179 8.280 0.064 -0.181 0.321 337 R N -1.360 118.999 120.500 -0.235 0.000 2.159 337 R HA -0.394 nan 4.340 nan 0.000 0.252 337 R C 0.568 176.746 176.300 -0.203 0.000 1.144 337 R CA 2.891 58.826 56.100 -0.275 0.000 0.961 337 R CB -1.242 28.801 30.300 -0.428 0.000 0.877 337 R HN -0.322 7.729 8.270 -0.190 0.105 0.444 338 F N -3.818 116.023 119.950 -0.181 0.000 2.367 338 F HA -0.031 nan 4.527 nan 0.000 0.298 338 F C -0.173 175.506 175.800 -0.201 0.000 1.094 338 F CA -0.419 57.494 58.000 -0.145 0.000 1.409 338 F CB 0.048 39.002 39.000 -0.077 0.000 1.064 338 F HN -0.394 7.835 8.300 -0.277 -0.095 0.528 339 Q N -4.904 114.748 119.800 -0.247 0.000 2.489 339 Q HA -0.339 nan 4.340 nan 0.000 0.259 339 Q C -0.719 175.288 176.000 0.011 0.000 0.934 339 Q CA 0.718 56.348 55.803 -0.288 0.000 1.131 339 Q CB -2.195 26.467 28.738 -0.126 0.000 1.472 339 Q HN -0.439 7.476 8.270 -0.513 0.047 0.560 340 E N -0.587 119.686 120.200 0.121 0.000 2.415 340 E HA -0.139 nan 4.350 nan 0.000 0.263 340 E C -0.821 175.881 176.600 0.171 0.000 0.995 340 E CA 0.356 56.834 56.400 0.129 0.000 0.915 340 E CB 0.630 30.412 29.700 0.137 0.000 0.951 340 E HN -0.434 8.019 8.360 0.154 0.000 0.449 341 N N 5.399 124.130 118.700 0.050 0.000 2.434 341 N HA 0.132 nan 4.740 nan 0.000 0.268 341 N C -2.006 173.511 175.510 0.011 0.000 1.256 341 N CA -1.541 51.490 53.050 -0.031 0.000 0.914 341 N CB -0.512 37.847 38.487 -0.214 0.000 1.088 341 N HN 0.173 8.560 8.380 0.011 0.000 0.478 342 P HA -0.071 nan 4.420 nan 0.000 0.271 342 P C -0.423 176.991 177.300 0.190 0.000 1.238 342 P CA -0.020 63.138 63.100 0.097 0.000 0.794 342 P CB 0.661 32.394 31.700 0.056 0.000 0.959 343 G N -0.975 107.914 108.800 0.149 0.000 2.432 343 G HA2 -0.095 nan 3.960 nan 0.000 0.239 343 G HA3 -0.095 nan 3.960 nan 0.000 0.239 343 G C 1.164 176.160 174.900 0.160 0.000 1.291 343 G CA -0.705 44.483 45.100 0.146 0.000 0.863 343 G HN 0.050 8.404 8.290 0.107 0.000 0.560 344 V N -1.757 118.206 119.914 0.081 0.000 3.099 344 V HA -0.454 nan 4.120 nan 0.000 0.269 344 V C 1.117 177.222 176.094 0.017 0.000 1.150 344 V CA 1.955 64.222 62.300 -0.056 0.000 1.165 344 V CB -0.749 30.936 31.823 -0.230 0.000 0.756 344 V HN 0.553 8.783 8.190 0.067 0.000 0.527 345 M N 0.156 119.806 119.600 0.084 0.000 2.562 345 M HA -0.174 nan 4.480 nan 0.000 0.257 345 M C 1.589 178.137 176.300 0.412 0.000 1.099 345 M CA 0.901 56.311 55.300 0.183 0.000 1.099 345 M CB -1.030 31.578 32.600 0.015 0.000 1.427 345 M HN -0.346 7.884 8.290 0.074 0.104 0.489 346 S N -0.450 115.436 115.700 0.310 0.000 2.481 346 S HA -0.251 nan 4.470 nan 0.000 0.231 346 S C -0.700 173.982 174.600 0.136 0.000 0.996 346 S CA 2.182 60.568 58.200 0.311 0.000 0.942 346 S CB 0.106 63.378 63.200 0.120 0.000 0.768 346 S HN -0.369 8.018 8.310 0.215 0.052 0.520 347 D N -1.952 118.570 120.400 0.204 0.000 2.490 347 D HA 0.179 nan 4.640 nan 0.000 0.232 347 D C -0.514 175.971 176.300 0.309 0.000 1.053 347 D CA -0.919 53.187 54.000 0.177 0.000 0.914 347 D CB 2.558 43.473 40.800 0.191 0.000 1.431 347 D HN -0.980 7.474 8.370 0.240 0.060 0.483 348 T N 0.864 115.661 114.554 0.405 0.000 3.014 348 T HA 0.065 nan 4.350 nan 0.000 0.263 348 T C 1.696 176.710 174.700 0.524 0.000 1.078 348 T CA 2.273 64.719 62.100 0.576 0.000 1.135 348 T CB -0.447 68.750 68.868 0.548 0.000 0.895 348 T HN 0.502 8.986 8.240 0.407 0.000 0.480 349 S N 0.770 116.716 115.700 0.411 0.000 2.406 349 S HA -0.129 nan 4.470 nan 0.000 0.228 349 S C 1.404 175.846 174.600 -0.263 0.000 1.020 349 S CA 3.439 61.696 58.200 0.095 0.000 0.965 349 S CB 0.184 63.377 63.200 -0.013 0.000 0.798 349 S HN -0.281 8.765 8.310 0.522 -0.422 0.488 350 T N -1.345 113.073 114.554 -0.227 0.000 2.939 350 T HA 0.235 nan 4.350 nan 0.000 0.254 350 T C 2.345 176.820 174.700 -0.374 0.000 1.041 350 T CA 2.206 64.087 62.100 -0.364 0.000 1.142 350 T CB 0.379 69.009 68.868 -0.396 0.000 0.874 350 T HN -0.349 8.097 8.240 -0.069 -0.248 0.452 351 S N 4.151 119.676 115.700 -0.291 0.000 2.570 351 S HA -0.477 nan 4.470 nan 0.000 0.300 351 S C 1.440 175.425 174.600 -1.025 0.000 1.224 351 S CA 3.160 61.087 58.200 -0.456 0.000 1.103 351 S CB -1.275 61.827 63.200 -0.163 0.000 1.009 351 S HN -0.018 8.219 8.310 -0.122 0.000 0.458 352 L N -0.114 120.449 121.223 -1.100 0.000 2.567 352 L HA 0.106 nan 4.340 nan 0.000 0.225 352 L C 1.364 177.876 176.870 -0.597 0.000 1.119 352 L CA 1.135 55.232 54.840 -1.239 0.000 0.871 352 L CB -0.232 41.252 42.059 -0.959 0.000 1.036 352 L HN -0.673 7.028 8.230 -0.802 0.048 0.459 353 R N -0.331 119.898 120.500 -0.452 0.000 2.062 353 R HA -0.240 nan 4.340 nan 0.000 0.229 353 R C 0.030 175.983 176.300 -0.579 0.000 1.128 353 R CA 2.411 58.328 56.100 -0.305 0.000 0.960 353 R CB -0.506 29.743 30.300 -0.086 0.000 0.855 353 R HN -0.736 7.199 8.270 -0.479 0.047 0.432 354 D N 1.095 121.123 120.400 -0.621 0.000 2.382 354 D HA 0.208 nan 4.640 nan 0.000 0.259 354 D C -0.762 175.321 176.300 -0.362 0.000 1.224 354 D CA -2.574 50.997 54.000 -0.714 0.000 0.894 354 D CB 0.341 40.981 40.800 -0.267 0.000 1.127 354 D HN -0.542 7.563 8.370 -0.441 0.000 0.487 355 P HA -0.185 nan 4.420 nan 0.000 0.217 355 P C 0.776 178.148 177.300 0.119 0.000 1.148 355 P CA 2.201 65.314 63.100 0.022 0.000 0.828 355 P CB -0.012 31.702 31.700 0.024 0.000 0.783 356 I N -5.303 115.280 120.570 0.022 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.007 177.112 176.117 -0.019 0.000 1.184 356 I CA 2.321 63.633 61.300 0.019 0.000 1.451 356 I CB -0.745 37.228 38.000 -0.045 0.000 1.089 356 I HN -0.860 7.307 8.210 -0.035 0.022 0.441 357 F N 2.238 122.005 119.950 -0.304 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.644 176.068 175.800 -0.627 0.000 1.096 357 F CA 4.578 62.232 58.000 -0.576 0.000 1.227 357 F CB 0.041 38.501 39.000 -0.899 0.000 0.983 357 F HN -0.361 7.793 8.300 -0.027 0.130 0.482 358 Y N -5.277 114.916 120.300 -0.179 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.894 177.809 175.900 0.025 0.000 1.123 358 Y CA 3.050 61.052 58.100 -0.163 0.000 1.227 358 Y CB -0.632 37.736 38.460 -0.153 0.000 1.012 358 Y HN -0.685 7.510 8.280 -0.116 0.015 0.552 359 R N 0.839 121.454 120.500 0.191 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.172 178.618 176.300 0.243 0.000 1.134 359 R CA 3.636 59.866 56.100 0.218 0.000 0.952 359 R CB -0.398 30.027 30.300 0.209 0.000 0.850 359 R HN -0.366 7.847 8.270 0.152 0.147 0.433 360 W N -1.576 119.752 121.300 0.047 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.772 177.443 176.519 0.254 0.000 1.231 360 W CA 3.635 61.062 57.345 0.135 0.000 1.248 360 W CB 0.218 29.650 29.460 -0.046 0.000 1.117 360 W HN -0.266 8.052 8.180 0.230 0.000 0.568 361 H N -1.762 117.298 119.070 -0.017 0.000 2.525 361 H HA 0.040 nan 4.556 nan 0.000 0.275 361 H C 2.888 178.233 175.328 0.028 0.000 0.984 361 H CA 2.851 58.872 56.048 -0.046 0.000 1.264 361 H CB 0.100 29.739 29.762 -0.205 0.000 1.432 361 H HN -0.582 7.683 8.280 0.294 0.192 0.549 362 R N -0.013 120.605 120.500 0.197 0.000 2.119 362 R HA -0.187 nan 4.340 nan 0.000 0.222 362 R C 1.686 178.057 176.300 0.119 0.000 1.088 362 R CA 1.857 58.056 56.100 0.165 0.000 0.984 362 R CB -0.881 29.525 30.300 0.178 0.000 0.884 362 R HN 0.264 8.666 8.270 0.220 0.000 0.447 363 F N 1.890 121.761 119.950 -0.131 0.000 2.051 363 F HA -0.298 nan 4.527 nan 0.000 0.296 363 F C 1.584 177.200 175.800 -0.305 0.000 1.122 363 F CA 2.735 60.562 58.000 -0.288 0.000 1.201 363 F CB -0.193 38.462 39.000 -0.574 0.000 0.978 363 F HN -0.794 7.462 8.300 0.146 0.132 0.472 364 I N -4.741 115.522 120.570 -0.512 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.318 177.359 176.117 -0.127 0.000 1.097 364 I CA 3.694 64.724 61.300 -0.449 0.000 1.363 364 I CB -0.738 37.147 38.000 -0.191 0.000 1.051 364 I HN -0.073 7.862 8.210 -0.459 0.000 0.413 365 D N 0.205 120.665 120.400 0.099 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.064 178.437 176.300 0.122 0.000 0.990 365 D CA 3.711 57.883 54.000 0.287 0.000 0.839 365 D CB -0.146 40.802 40.800 0.246 0.000 0.948 365 D HN -0.428 7.969 8.370 0.046 0.000 0.460 366 N N -0.953 117.738 118.700 -0.015 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.014 175.510 -0.156 0.000 1.019 366 N CA 3.177 56.199 53.050 -0.047 0.000 0.856 366 N CB -0.118 38.373 38.487 0.007 0.000 0.993 366 N HN 0.059 8.181 8.380 -0.048 0.229 0.426 367 I N 0.349 120.720 120.570 -0.331 0.000 2.163 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.639 177.540 176.117 -0.361 0.000 1.081 367 I CA 4.219 65.266 61.300 -0.420 0.000 1.353 367 I CB -0.168 37.449 38.000 -0.639 0.000 1.054 367 I HN -0.568 7.284 8.210 -0.416 0.109 0.407 368 F N -1.256 118.521 119.950 -0.288 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.288 177.836 175.800 -0.421 0.000 1.089 368 F CA 4.069 61.813 58.000 -0.428 0.000 1.282 368 F CB -0.985 37.567 39.000 -0.747 0.000 1.010 368 F HN -0.359 7.735 8.300 -0.343 0.000 0.485 369 Q N -2.256 117.491 119.800 -0.087 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.803 176.000 -0.128 0.000 0.977 369 Q CA 3.194 58.951 55.803 -0.076 0.000 0.850 369 Q CB -0.829 27.910 28.738 0.000 0.000 0.901 369 Q HN 0.630 8.766 8.270 -0.020 0.122 0.429 370 E N -0.029 120.084 120.200 -0.145 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.315 178.782 176.600 -0.223 0.000 0.988 370 E CA 3.026 59.328 56.400 -0.163 0.000 0.804 370 E CB -0.291 29.311 29.700 -0.162 0.000 0.745 370 E HN -0.173 8.008 8.360 -0.145 0.092 0.458 371 H N 0.542 119.382 119.070 -0.384 0.000 2.357 371 H HA -0.167 nan 4.556 nan 0.000 0.301 371 H C 2.431 177.181 175.328 -0.963 0.000 1.082 371 H CA 2.733 58.438 56.048 -0.571 0.000 1.342 371 H CB 0.057 29.559 29.762 -0.435 0.000 1.389 371 H HN -0.536 7.537 8.280 -0.165 0.108 0.511 372 K N -1.982 118.005 120.400 -0.689 0.000 2.097 372 K HA -0.315 nan 4.320 nan 0.000 0.206 372 K C 2.529 178.902 176.600 -0.377 0.000 1.049 372 K CA 2.076 58.059 56.287 -0.508 0.000 0.933 372 K CB -0.532 31.878 32.500 -0.150 0.000 0.717 372 K HN -0.072 7.934 8.250 -0.406 0.000 0.442 373 K N -1.710 118.516 120.400 -0.290 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.326 178.794 176.600 -0.219 0.000 1.049 373 K CA 2.434 58.603 56.287 -0.195 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 -0.274 0.188 0.442 374 S N -2.142 113.388 115.700 -0.282 0.000 2.453 374 S HA -0.140 nan 4.470 nan 0.000 0.231 374 S C 0.602 175.090 174.600 -0.187 0.000 1.005 374 S CA 1.981 60.077 58.200 -0.174 0.000 0.949 374 S CB 0.410 63.622 63.200 0.020 0.000 0.774 374 S HN -0.364 7.741 8.310 -0.341 0.000 0.510 375 F N 2.766 122.588 119.950 -0.213 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.023 175.575 175.800 -0.337 0.000 1.155 375 F CA -0.132 57.718 58.000 -0.250 0.000 1.302 375 F CB -0.069 38.812 39.000 -0.198 0.000 1.159 375 F HN -0.818 7.075 8.300 -0.679 0.000 0.595 376 H N 1.132 120.244 119.070 0.070 0.000 2.511 376 H HA 0.148 nan 4.556 nan 0.000 0.346 376 H C -1.435 173.793 175.328 -0.166 0.000 1.128 376 H CA -0.995 55.032 56.048 -0.036 0.000 1.342 376 H CB -0.062 29.682 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 -1.253 175.944 177.300 -0.172 0.000 1.228 377 P CA 0.677 63.711 63.100 -0.110 0.000 0.797 377 P CB 0.429 32.152 31.700 0.037 0.000 0.914 378 Y N -0.541 119.841 120.300 0.137 0.000 2.327 378 Y HA -0.020 nan 4.550 nan 0.000 0.336 378 Y C 0.275 176.203 175.900 0.048 0.000 1.035 378 Y CA 0.359 58.512 58.100 0.089 0.000 1.165 378 Y CB 0.366 38.854 38.460 0.046 0.000 1.181 378 Y HN 0.238 8.614 8.280 0.160 0.000 0.494 379 T N 4.833 119.518 114.554 0.218 0.000 2.932 379 T HA 0.050 nan 4.350 nan 0.000 0.312 379 T C 1.079 175.815 174.700 0.060 0.000 1.071 379 T CA -0.041 62.125 62.100 0.109 0.000 1.128 379 T CB 0.545 69.463 68.868 0.083 0.000 0.984 379 T HN 0.309 8.705 8.240 0.259 0.000 0.549 380 K N 3.900 124.308 120.400 0.013 0.000 2.103 380 K HA -0.464 nan 4.320 nan 0.000 0.207 380 K C 2.146 178.732 176.600 -0.024 0.000 1.048 380 K CA 3.880 60.145 56.287 -0.037 0.000 0.930 380 K CB -0.112 32.372 32.500 -0.027 0.000 0.716 380 K HN 0.438 8.703 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 -0.302 nan 4.350 nan 0.000 0.204 381 E C 2.253 178.864 176.600 0.018 0.000 1.025 381 E CA 3.254 59.662 56.400 0.013 0.000 0.835 381 E CB -0.502 29.211 29.700 0.021 0.000 0.764 381 E HN 0.095 8.460 8.360 0.013 0.003 0.457 382 E N -1.398 118.825 120.200 0.039 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.116 177.719 176.600 0.006 0.000 0.994 382 E CA 2.259 58.689 56.400 0.051 0.000 0.801 382 E CB -0.747 29.042 29.700 0.148 0.000 0.743 382 E HN 0.135 8.529 8.360 0.056 0.000 0.453 383 L N -4.853 116.332 121.223 -0.062 0.000 2.465 383 L HA -0.113 nan 4.340 nan 0.000 0.224 383 L C 0.007 176.821 176.870 -0.094 0.000 1.145 383 L CA 0.866 55.600 54.840 -0.176 0.000 0.834 383 L CB 0.251 42.107 42.059 -0.338 0.000 0.944 383 L HN -0.390 7.724 8.230 -0.039 0.093 0.451 384 S N -1.080 114.609 115.700 -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 -0.253 57.970 58.200 0.039 0.000 1.104 384 S CB 0.466 63.674 63.200 0.014 0.000 0.969 384 S HN -0.489 7.626 8.310 -0.013 0.188 0.471 385 F N 8.630 128.563 119.950 -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 -3.337 54.657 58.000 -0.011 0.000 1.135 385 F CB 0.289 39.288 39.000 -0.002 0.000 1.127 385 F HN 0.239 8.978 8.300 0.240 -0.295 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.425 176.745 177.300 -0.216 0.000 1.205 386 P CA 0.464 63.517 63.100 -0.078 0.000 0.765 386 P CB 0.122 31.799 31.700 -0.037 0.000 0.828 387 G N 2.187 110.893 108.800 -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 0.382 45.385 45.100 -0.162 0.000 0.625 387 G HN 0.367 8.596 8.290 -0.100 0.000 0.511 388 V N 2.887 122.625 119.914 -0.294 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.058 174.993 176.094 -0.073 0.000 1.045 388 V CA -0.149 62.020 62.300 -0.219 0.000 0.976 388 V CB -0.215 31.371 31.823 -0.396 0.000 0.993 388 V HN -0.713 7.146 8.190 -0.419 0.079 0.475 389 E N 8.048 128.232 120.200 -0.027 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.255 176.368 176.600 0.037 0.000 0.900 389 E CA -1.698 54.708 56.400 0.010 0.000 0.755 389 E CB 2.806 32.508 29.700 0.003 0.000 1.117 389 E HN 0.234 8.445 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 -0.165 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 1.705 64.050 62.300 0.076 0.000 1.149 390 V CB -1.854 30.029 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 7.448 127.393 119.914 0.052 0.000 3.141 391 V HA -0.049 nan 4.120 nan 0.000 0.265 391 V C 0.311 176.435 176.094 0.049 0.000 1.126 391 V CA 0.607 62.933 62.300 0.043 0.000 1.141 391 V CB -0.390 31.454 31.823 0.035 0.000 0.743 391 V HN 0.545 8.671 8.190 0.053 0.096 0.492 392 G N -3.388 105.450 108.800 0.064 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 -3.095 171.860 174.900 0.092 0.000 1.367 392 G CA 0.168 45.311 45.100 0.071 0.000 0.951 392 G HN -0.701 7.603 8.290 0.070 0.028 0.615 393 V N -1.983 117.995 119.914 0.108 0.000 3.160 393 V HA 0.779 nan 4.120 nan 0.000 0.310 393 V C -1.420 174.747 176.094 0.122 0.000 1.181 393 V CA -2.243 60.143 62.300 0.144 0.000 1.047 393 V CB 3.533 35.484 31.823 0.213 0.000 1.068 393 V HN 0.200 8.447 8.190 0.095 0.000 0.441 394 S N -1.027 114.750 115.700 0.127 0.000 2.552 394 S HA 0.516 nan 4.470 nan 0.000 0.272 394 S C -2.197 172.455 174.600 0.087 0.000 1.150 394 S CA -0.425 57.832 58.200 0.096 0.000 0.849 394 S CB 4.091 67.329 63.200 0.063 0.000 1.113 394 S HN -0.146 8.251 8.310 0.146 0.000 0.458 395 I N -1.997 118.618 120.570 0.075 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.049 174.103 176.117 0.058 0.000 0.992 395 I CA -2.050 59.290 61.300 0.068 0.000 1.149 395 I CB 1.671 39.765 38.000 0.158 0.000 1.315 395 I HN 0.675 9.274 8.210 0.072 -0.346 0.446 396 N N 7.798 126.527 118.700 0.048 0.000 2.558 396 N HA 0.362 nan 4.740 nan 0.000 0.242 396 N C -0.511 175.038 175.510 0.066 0.000 0.979 396 N CA -0.337 52.737 53.050 0.041 0.000 0.931 396 N CB 1.045 39.544 38.487 0.021 0.000 1.122 396 N HN -0.138 8.254 8.380 0.021 0.000 0.508 397 S N 6.191 121.926 115.700 0.058 0.000 3.320 397 S HA 0.110 nan 4.470 nan 0.000 0.185 397 S C 0.187 174.803 174.600 0.027 0.000 1.028 397 S CA 1.169 59.405 58.200 0.059 0.000 1.641 397 S CB 0.574 63.780 63.200 0.010 0.000 0.630 397 S HN 0.398 8.729 8.310 0.035 0.000 0.555 398 K N 1.670 122.072 120.400 0.004 0.000 2.148 398 K HA -0.128 nan 4.320 nan 0.000 0.204 398 K C -0.552 176.045 176.600 -0.005 0.000 1.050 398 K CA 1.701 57.984 56.287 -0.006 0.000 0.942 398 K CB 0.462 32.948 32.500 -0.023 0.000 0.724 398 K HN -0.195 8.466 8.250 -0.004 -0.413 0.446 399 T N -0.841 113.710 114.554 -0.005 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.263 172.439 174.700 0.004 0.000 1.070 399 T CA -1.899 60.199 62.100 -0.002 0.000 1.010 399 T CB 3.297 72.160 68.868 -0.008 0.000 1.264 399 T HN -0.719 7.491 8.240 -0.007 0.026 0.532 400 A N -0.282 122.543 122.820 0.007 0.000 2.407 400 A HA 0.108 nan 4.320 nan 0.000 0.248 400 A C 0.138 177.728 177.584 0.011 0.000 1.082 400 A CA 0.457 52.503 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 8.264 8.150 0.006 0.000 0.489 401 N N -1.934 116.777 118.700 0.017 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.260 174.248 175.510 -0.004 0.000 1.119 401 N CA 1.417 54.476 53.050 0.015 0.000 0.718 401 N CB -1.586 36.917 38.487 0.027 0.000 1.060 401 N HN 0.076 8.472 8.380 0.027 0.000 0.552 402 V N -9.441 110.458 119.914 -0.025 0.000 2.769 402 V HA 0.768 nan 4.120 nan 0.000 0.312 402 V C -2.319 173.711 176.094 -0.106 0.000 1.061 402 V CA -2.650 59.621 62.300 -0.050 0.000 0.931 402 V CB 3.615 35.417 31.823 -0.036 0.000 1.010 402 V HN -0.929 7.184 8.190 -0.020 0.065 0.433 403 I N 1.514 121.982 120.570 -0.170 0.000 2.693 403 I HA 0.444 nan 4.170 nan 0.000 0.303 403 I C -2.003 174.034 176.117 -0.135 0.000 1.025 403 I CA -2.109 59.055 61.300 -0.227 0.000 1.086 403 I CB 3.492 41.202 38.000 -0.484 0.000 1.268 403 I HN 0.564 8.573 8.210 -0.161 0.105 0.440 404 T N 7.445 121.945 114.554 -0.089 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.243 173.451 174.700 -0.011 0.000 0.992 404 T CA -0.623 61.450 62.100 -0.045 0.000 0.957 404 T CB 1.571 70.410 68.868 -0.049 0.000 0.942 404 T HN 0.163 8.351 8.240 -0.086 0.000 0.439 405 T N 7.728 122.301 114.554 0.032 0.000 2.918 405 T HA 0.660 nan 4.350 nan 0.000 0.283 405 T C -1.765 172.968 174.700 0.054 0.000 1.001 405 T CA -1.932 60.232 62.100 0.106 0.000 1.041 405 T CB 1.099 70.082 68.868 0.191 0.000 1.028 405 T HN 0.627 8.888 8.240 0.036 0.000 0.511 406 L N 1.267 122.548 121.223 0.096 0.000 2.301 406 L HA 0.649 nan 4.340 nan 0.000 0.249 406 L C -1.465 175.504 176.870 0.165 0.000 1.069 406 L CA -1.292 53.553 54.840 0.008 0.000 0.865 406 L CB 3.802 45.863 42.059 0.004 0.000 1.467 406 L HN -0.293 7.933 8.230 0.178 0.111 0.419 407 I N -0.453 120.174 120.570 0.096 0.000 2.392 407 I HA 0.426 nan 4.170 nan 0.000 0.295 407 I C -1.812 174.297 176.117 -0.013 0.000 0.985 407 I CA -2.117 59.268 61.300 0.143 0.000 1.221 407 I CB 1.384 39.504 38.000 0.200 0.000 1.366 407 I HN 0.221 8.426 8.210 -0.008 0.000 0.467 408 K N 8.801 129.080 120.400 -0.202 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.321 174.959 176.600 -0.533 0.000 0.948 408 K CA -1.655 54.402 56.287 -0.383 0.000 0.827 408 K CB 2.589 34.795 32.500 -0.490 0.000 1.128 408 K HN 0.846 8.841 8.250 -0.243 0.108 0.429 409 E N 5.622 125.627 120.200 -0.325 0.000 2.398 409 E HA 0.088 nan 4.350 nan 0.000 0.263 409 E C -1.047 175.229 176.600 -0.540 0.000 1.046 409 E CA 0.552 56.668 56.400 -0.474 0.000 0.908 409 E CB 0.405 29.886 29.700 -0.364 0.000 0.963 409 E HN 0.390 8.635 8.360 -0.191 0.000 0.431 410 S N 1.709 116.962 115.700 -0.746 0.000 2.727 410 S HA 0.381 nan 4.470 nan 0.000 0.278 410 S C -2.067 172.085 174.600 -0.746 0.000 1.186 410 S CA -0.954 56.810 58.200 -0.728 0.000 0.836 410 S CB 2.694 65.414 63.200 -0.800 0.000 1.186 410 S HN 0.421 8.220 8.310 -0.852 0.000 0.499 411 L N -0.462 120.528 121.223 -0.389 0.000 2.327 411 L HA 0.594 nan 4.340 nan 0.000 0.258 411 L C -2.152 174.825 176.870 0.179 0.000 1.024 411 L CA -1.041 53.744 54.840 -0.091 0.000 0.825 411 L CB 3.319 45.343 42.059 -0.058 0.000 1.386 411 L HN 0.418 8.477 8.230 -0.286 0.000 0.417 412 L N -0.611 120.721 121.223 0.182 0.000 2.543 412 L HA 0.261 nan 4.340 nan 0.000 0.265 412 L C -2.229 174.693 176.870 0.087 0.000 0.945 412 L CA 0.137 55.065 54.840 0.146 0.000 0.869 412 L CB 3.563 45.715 42.059 0.154 0.000 1.294 412 L HN -0.162 8.146 8.230 0.130 0.000 0.405 413 E N 6.526 126.763 120.200 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 -0.869 55.588 56.400 0.095 0.000 0.878 413 E CB -0.018 29.759 29.700 0.128 0.000 1.070 413 E HN 0.267 8.646 8.360 0.031 0.000 0.399 414 L N 6.737 128.019 121.223 0.098 0.000 2.083 414 L HA -0.385 nan 4.340 nan 0.000 0.209 414 L C 1.615 178.551 176.870 0.110 0.000 1.083 414 L CA 2.999 57.898 54.840 0.097 0.000 0.752 414 L CB -0.372 41.744 42.059 0.095 0.000 0.899 414 L HN 0.985 9.267 8.230 0.086 0.000 0.433 415 S N -0.710 115.062 115.700 0.120 0.000 2.434 415 S HA -0.486 nan 4.470 nan 0.000 0.250 415 S C 2.226 176.856 174.600 0.049 0.000 1.102 415 S CA 3.444 61.741 58.200 0.162 0.000 1.104 415 S CB -0.599 62.558 63.200 -0.072 0.000 0.957 415 S HN -0.203 8.166 8.310 0.099 0.000 0.456 416 H N -0.188 118.837 119.070 -0.075 0.000 2.326 416 H HA -0.146 nan 4.556 nan 0.000 0.301 416 H C 1.903 177.086 175.328 -0.241 0.000 1.081 416 H CA 2.951 58.819 56.048 -0.301 0.000 1.334 416 H CB 0.143 29.611 29.762 -0.490 0.000 1.385 416 H HN -0.842 7.490 8.280 0.134 0.028 0.504 417 G N -2.953 105.832 108.800 -0.026 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 -0.271 174.614 174.900 -0.025 0.000 1.189 417 G CA 0.937 45.997 45.100 -0.067 0.000 0.789 417 G HN -0.266 8.047 8.290 0.039 0.000 0.533 418 I N -3.741 116.854 120.570 0.043 0.000 3.076 418 I HA 0.447 nan 4.170 nan 0.000 0.313 418 I C -1.920 174.236 176.117 0.064 0.000 1.053 418 I CA -3.336 57.996 61.300 0.052 0.000 1.048 418 I CB 2.169 40.206 38.000 0.063 0.000 1.264 418 I HN -0.319 7.822 8.210 0.066 0.109 0.498 419 N N 1.586 120.277 118.700 -0.014 0.000 2.415 419 N HA -0.056 nan 4.740 nan 0.000 0.250 419 N C -0.029 175.404 175.510 -0.128 0.000 1.127 419 N CA -0.547 52.398 53.050 -0.174 0.000 0.945 419 N CB -0.666 37.675 38.487 -0.244 0.000 1.196 419 N HN -0.012 8.359 8.380 -0.014 0.000 0.499 420 F N 1.594 121.550 119.950 0.010 0.000 2.161 420 F HA -0.136 nan 4.527 nan 0.000 0.300 420 F C 1.405 177.195 175.800 -0.016 0.000 1.089 420 F CA 0.797 58.795 58.000 -0.002 0.000 1.282 420 F CB -0.195 38.802 39.000 -0.006 0.000 1.010 420 F HN -0.339 7.837 8.300 -0.206 0.000 0.485 421 G N -0.514 108.072 108.800 -0.357 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 0.403 175.336 174.900 0.055 0.000 1.351 421 G CA 1.539 46.519 45.100 -0.200 0.000 0.905 421 G HN -0.240 7.514 8.290 -1.067 -0.103 0.561 422 T N 0.645 115.330 114.554 0.218 0.000 3.348 422 T HA 0.127 nan 4.350 nan 0.000 0.233 422 T C 0.251 175.110 174.700 0.266 0.000 0.960 422 T CA 0.210 62.440 62.100 0.217 0.000 1.343 422 T CB 0.925 69.862 68.868 0.115 0.000 1.068 422 T HN 0.197 8.492 8.240 0.187 0.058 0.410 423 D N 2.274 122.787 120.400 0.189 0.000 2.352 423 D HA -0.111 nan 4.640 nan 0.000 0.238 423 D C 0.474 176.659 176.300 -0.191 0.000 1.286 423 D CA 0.140 54.155 54.000 0.024 0.000 0.923 423 D CB 0.509 41.326 40.800 0.028 0.000 1.146 423 D HN -0.347 8.154 8.370 0.219 0.000 0.471 424 Q N -1.226 118.454 119.800 -0.200 0.000 2.016 424 Q HA -0.143 nan 4.340 nan 0.000 0.200 424 Q C 0.370 176.126 176.000 -0.407 0.000 0.978 424 Q CA 2.307 57.922 55.803 -0.314 0.000 0.833 424 Q CB 0.702 29.337 28.738 -0.172 0.000 0.895 424 Q HN -0.047 8.156 8.270 -0.113 0.000 0.427 425 S N -4.029 111.540 115.700 -0.218 0.000 2.543 425 S HA 0.184 nan 4.470 nan 0.000 0.273 425 S C -2.566 172.006 174.600 -0.047 0.000 1.152 425 S CA -0.138 57.979 58.200 -0.140 0.000 0.910 425 S CB 2.611 65.757 63.200 -0.090 0.000 1.105 425 S HN -0.685 7.646 8.310 -0.148 -0.110 0.465 426 V N 1.555 121.471 119.914 0.004 0.000 2.409 426 V HA 0.768 nan 4.120 nan 0.000 0.291 426 V C -1.599 174.523 176.094 0.046 0.000 1.020 426 V CA -2.728 59.596 62.300 0.040 0.000 0.848 426 V CB 1.416 33.285 31.823 0.077 0.000 0.990 426 V HN 0.706 8.900 8.190 0.006 0.000 0.430 427 K N 4.883 125.305 120.400 0.037 0.000 2.270 427 K HA 0.734 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 -2.526 53.785 56.287 0.040 0.000 0.809 427 K CB 2.972 35.479 32.500 0.012 0.000 1.131 427 K HN 0.679 8.845 8.250 0.031 0.103 0.427 428 V N 4.136 124.101 119.914 0.084 0.000 2.318 428 V HA 0.287 nan 4.120 nan 0.000 0.271 428 V C -1.504 174.656 176.094 0.110 0.000 1.030 428 V CA -2.429 59.937 62.300 0.111 0.000 0.844 428 V CB 0.693 32.605 31.823 0.148 0.000 1.015 428 V HN 0.072 8.320 8.190 0.097 0.000 0.460 429 K N 11.301 131.709 120.400 0.014 0.000 2.363 429 K HA 0.062 nan 4.320 nan 0.000 0.289 429 K C -1.011 175.518 176.600 -0.118 0.000 1.063 429 K CA 0.055 56.264 56.287 -0.129 0.000 0.967 429 K CB 0.041 32.461 32.500 -0.133 0.000 0.987 429 K HN 0.724 8.986 8.250 0.021 0.000 0.473 430 Y N 3.388 123.599 120.300 -0.149 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.124 173.587 175.900 -0.315 0.000 1.168 430 Y CA -3.045 54.984 58.100 -0.118 0.000 1.269 430 Y CB 2.450 40.928 38.460 0.030 0.000 1.388 430 Y HN 0.246 8.030 8.280 -0.652 0.106 0.528 431 H N -0.685 118.498 119.070 0.189 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.256 174.206 175.328 0.223 0.000 1.040 431 H CA -1.272 54.815 56.048 0.064 0.000 1.216 431 H CB 2.880 32.683 29.762 0.068 0.000 1.529 431 H HN -0.118 8.420 8.280 0.430 0.000 0.519 432 H N 1.480 120.681 119.070 0.219 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.083 173.366 175.328 0.203 0.000 1.168 432 H CA -2.438 53.745 56.048 0.225 0.000 1.163 432 H CB 2.367 32.195 29.762 0.109 0.000 1.778 432 H HN 0.790 8.846 8.280 -0.179 0.117 0.551 433 L N 0.161 121.699 121.223 0.525 0.000 2.452 433 L HA 0.104 nan 4.340 nan 0.000 0.267 433 L C -1.062 176.118 176.870 0.517 0.000 1.188 433 L CA 0.843 55.934 54.840 0.418 0.000 0.821 433 L CB 1.284 43.518 42.059 0.292 0.000 1.102 433 L HN 0.372 8.948 8.230 0.577 0.000 0.470 434 D N 0.893 121.510 120.400 0.362 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 52.168 54.000 0.268 0.000 1.001 434 D CB 3.075 43.976 40.800 0.169 0.000 1.389 434 D HN 0.473 9.034 8.370 0.318 0.000 0.595 435 H N -4.804 114.311 119.070 0.074 0.000 3.064 435 H HA 0.446 nan 4.556 nan 0.000 0.352 435 H C -1.732 173.556 175.328 -0.066 0.000 1.260 435 H CA -1.908 54.127 56.048 -0.022 0.000 1.160 435 H CB 2.801 32.521 29.762 -0.071 0.000 1.879 435 H HN -0.096 8.005 8.280 -0.300 0.000 0.544 436 E N 1.586 121.811 120.200 0.042 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.297 175.377 176.600 0.123 0.000 1.046 436 E CA -1.641 54.773 56.400 0.023 0.000 0.908 436 E CB 0.764 30.465 29.700 0.002 0.000 0.963 436 E HN 0.230 8.489 8.360 0.033 0.121 0.431 437 P HA 0.017 nan 4.420 nan 0.000 0.271 437 P C -2.128 175.406 177.300 0.390 0.000 1.233 437 P CA 0.351 63.616 63.100 0.275 0.000 0.789 437 P CB 0.489 32.363 31.700 0.290 0.000 0.951 438 F N -5.454 114.532 119.950 0.059 0.000 2.807 438 F HA 0.496 nan 4.527 nan 0.000 0.316 438 F C -2.453 173.286 175.800 -0.102 0.000 1.162 438 F CA -2.050 55.919 58.000 -0.052 0.000 0.910 438 F CB 2.375 41.301 39.000 -0.124 0.000 1.314 438 F HN -0.254 8.253 8.300 0.346 0.000 0.454 439 T N -0.570 113.822 114.554 -0.269 0.000 2.916 439 T HA 0.620 nan 4.350 nan 0.000 0.292 439 T C -1.621 172.755 174.700 -0.540 0.000 1.055 439 T CA -1.586 60.259 62.100 -0.425 0.000 1.009 439 T CB 2.862 71.630 68.868 -0.168 0.000 1.118 439 T HN -0.160 8.055 8.240 -0.042 0.000 0.497 440 Y N 1.819 122.031 120.300 -0.147 0.000 2.313 440 Y HA 0.217 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 -0.841 57.243 58.100 -0.025 0.000 1.169 440 Y CB 1.241 39.700 38.460 -0.001 0.000 1.192 440 Y HN 0.500 8.544 8.280 -0.218 0.105 0.487 441 N N 3.507 122.275 118.700 0.113 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.212 173.365 175.510 0.111 0.000 0.975 441 N CA -0.804 52.292 53.050 0.078 0.000 0.928 441 N CB 2.515 41.029 38.487 0.045 0.000 1.160 441 N HN -0.091 8.356 8.380 0.112 0.000 0.495 442 I N 6.064 126.693 120.570 0.098 0.000 2.418 442 I HA 0.612 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.604 176.117 0.070 0.000 1.008 442 I CA -1.947 59.415 61.300 0.102 0.000 1.104 442 I CB 2.997 41.071 38.000 0.122 0.000 1.264 442 I HN 0.467 8.718 8.210 0.069 0.000 0.438 443 V N 9.013 128.968 119.914 0.069 0.000 2.532 443 V HA 0.674 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 -1.614 60.721 62.300 0.057 0.000 0.926 443 V CB 1.326 33.178 31.823 0.048 0.000 0.992 443 V HN 0.796 8.922 8.190 0.076 0.110 0.457 444 V N 5.324 125.271 119.914 0.055 0.000 2.841 444 V HA 0.408 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.068 176.094 0.031 0.000 1.090 444 V CA -1.220 61.111 62.300 0.050 0.000 0.930 444 V CB 4.332 36.196 31.823 0.069 0.000 1.014 444 V HN 0.885 9.019 8.190 0.052 0.088 0.425 445 E N 6.353 126.562 120.200 0.015 0.000 2.070 445 E HA 0.274 nan 4.350 nan 0.000 0.261 445 E C -1.360 175.225 176.600 -0.024 0.000 0.926 445 E CA -2.359 54.040 56.400 -0.001 0.000 0.760 445 E CB 1.257 30.956 29.700 -0.003 0.000 1.133 445 E HN 0.729 8.981 8.360 0.016 0.118 0.420 446 N N 8.214 126.897 118.700 -0.028 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.728 176.202 175.510 -0.059 0.000 1.168 446 N CA -1.303 51.711 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 4.233 122.894 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.081 175.397 175.510 -0.054 0.000 1.013 447 N CA 2.357 55.376 53.050 -0.052 0.000 0.863 447 N CB -0.007 38.449 38.487 -0.052 0.000 0.990 447 N HN -0.240 8.065 8.380 -0.073 0.032 0.430 448 S N -0.614 115.042 115.700 -0.074 0.000 2.533 448 S HA 0.004 nan 4.470 nan 0.000 0.282 448 S C 1.061 175.629 174.600 -0.054 0.000 1.304 448 S CA 0.307 58.467 58.200 -0.067 0.000 1.063 448 S CB 0.357 63.504 63.200 -0.089 0.000 0.881 448 S HN -0.693 7.529 8.310 -0.096 0.031 0.493 449 G N 1.575 110.351 108.800 -0.040 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.942 173.936 174.900 -0.036 0.000 1.115 449 G CA 0.850 45.930 45.100 -0.033 0.000 0.757 449 G HN 0.431 8.699 8.290 -0.037 0.000 0.560 450 A N -0.987 121.807 122.820 -0.043 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.677 176.864 177.584 -0.071 0.000 1.147 450 A CA -1.571 50.437 52.037 -0.047 0.000 0.818 450 A CB 1.059 20.037 19.000 -0.037 0.000 1.096 450 A HN -0.668 7.419 8.150 -0.045 0.037 0.495 451 E N 1.142 121.291 120.200 -0.085 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.028 175.462 176.600 -0.183 0.000 0.952 451 E CA 0.991 57.312 56.400 -0.133 0.000 0.947 451 E CB 0.082 29.681 29.700 -0.169 0.000 0.912 451 E HN 0.360 8.679 8.360 -0.069 0.000 0.489 452 K N 4.853 125.167 120.400 -0.144 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.227 175.381 176.600 0.012 0.000 0.987 452 K CA -1.572 54.677 56.287 -0.063 0.000 0.865 452 K CB 1.770 34.238 32.500 -0.053 0.000 1.090 452 K HN 0.576 8.680 8.250 -0.105 0.083 0.450 453 H N 4.175 123.433 119.070 0.313 0.000 2.552 453 H HA 0.480 nan 4.556 nan 0.000 0.311 453 H C -0.290 175.320 175.328 0.471 0.000 1.071 453 H CA -0.897 55.406 56.048 0.425 0.000 1.307 453 H CB 0.884 30.934 29.762 0.480 0.000 1.416 453 H HN 0.500 8.940 8.280 0.268 0.000 0.464 454 S N 3.291 119.299 115.700 0.514 0.000 2.648 454 S HA 0.742 nan 4.470 nan 0.000 0.305 454 S C -0.612 174.094 174.600 0.177 0.000 1.094 454 S CA -1.399 56.940 58.200 0.232 0.000 0.983 454 S CB 2.359 65.683 63.200 0.208 0.000 1.101 454 S HN 0.708 9.306 8.310 0.480 0.000 0.514 455 T N 2.051 116.586 114.554 -0.032 0.000 2.791 455 T HA 0.388 nan 4.350 nan 0.000 0.288 455 T C -1.319 173.256 174.700 -0.209 0.000 0.999 455 T CA -0.529 61.548 62.100 -0.038 0.000 0.952 455 T CB 0.832 69.743 68.868 0.071 0.000 0.938 455 T HN 0.667 8.656 8.240 -0.227 0.115 0.444 456 V N 7.423 127.099 119.914 -0.396 0.000 2.318 456 V HA 0.374 nan 4.120 nan 0.000 0.271 456 V C -0.884 175.004 176.094 -0.344 0.000 1.030 456 V CA -1.094 60.912 62.300 -0.490 0.000 0.844 456 V CB -0.349 30.854 31.823 -1.034 0.000 1.015 456 V HN 1.047 8.832 8.190 -0.498 0.106 0.460 457 R N 7.532 127.959 120.500 -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 55.025 56.100 -0.019 0.000 0.858 457 R CB 0.571 30.972 30.300 0.168 0.000 1.094 457 R HN 0.425 8.644 8.270 -0.085 0.000 0.457 458 I N 4.098 124.616 120.570 -0.086 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.493 174.635 176.117 0.017 0.000 0.998 458 I CA -1.021 60.303 61.300 0.040 0.000 1.137 458 I CB 2.676 40.573 38.000 -0.171 0.000 1.310 458 I HN 0.760 8.757 8.210 -0.178 0.105 0.445 459 F N 4.470 124.588 119.950 0.280 0.000 2.593 459 F HA 0.788 nan 4.527 nan 0.000 0.320 459 F C -1.552 174.487 175.800 0.398 0.000 1.060 459 F CA -1.574 56.644 58.000 0.364 0.000 0.940 459 F CB 4.272 43.536 39.000 0.440 0.000 1.268 459 F HN 0.427 8.995 8.300 0.618 0.102 0.475 460 L N 1.265 122.820 121.223 0.554 0.000 2.406 460 L HA 0.670 nan 4.340 nan 0.000 0.272 460 L C -2.361 174.697 176.870 0.314 0.000 0.980 460 L CA -1.339 53.732 54.840 0.385 0.000 0.831 460 L CB 3.543 45.750 42.059 0.247 0.000 1.253 460 L HN 0.889 9.338 8.230 0.553 0.112 0.406 461 A N 5.975 128.887 122.820 0.153 0.000 2.483 461 A HA 0.839 nan 4.320 nan 0.000 0.286 461 A C -3.474 174.114 177.584 0.007 0.000 1.207 461 A CA -2.706 49.254 52.037 -0.129 0.000 0.764 461 A CB 1.981 20.481 19.000 -0.834 0.000 1.341 461 A HN 1.017 9.173 8.150 0.197 0.112 0.428 462 P HA 0.311 nan 4.420 nan 0.000 0.292 462 P C -1.448 175.631 177.300 -0.367 0.000 1.283 462 P CA -0.781 62.046 63.100 -0.455 0.000 0.835 462 P CB 1.277 32.654 31.700 -0.538 0.000 1.017 463 K N 1.249 121.421 120.400 -0.381 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.536 176.894 176.600 -0.402 0.000 1.052 463 K CA 1.209 57.285 56.287 -0.352 0.000 0.969 463 K CB 0.891 33.181 32.500 -0.350 0.000 0.761 463 K HN -0.245 7.717 8.250 -0.480 0.000 0.459 464 Y N -1.967 118.177 120.300 -0.260 0.000 2.314 464 Y HA -0.152 nan 4.550 nan 0.000 0.334 464 Y C -0.515 175.264 175.900 -0.201 0.000 1.266 464 Y CA 1.980 59.955 58.100 -0.208 0.000 1.391 464 Y CB 0.778 39.112 38.460 -0.210 0.000 1.306 464 Y HN -0.868 7.233 8.280 -0.298 0.000 0.558 465 D N 0.760 121.198 120.400 0.064 0.000 2.567 465 D HA 0.157 nan 4.640 nan 0.000 0.275 465 D C -0.521 175.769 176.300 -0.017 0.000 1.195 465 D CA -1.178 52.813 54.000 -0.014 0.000 1.087 465 D CB 2.225 43.011 40.800 -0.023 0.000 1.165 465 D HN 0.165 8.503 8.370 0.132 0.111 0.609 466 E N -0.537 119.637 120.200 -0.044 0.000 2.463 466 E HA 0.018 nan 4.350 nan 0.000 0.193 466 E C -1.052 175.524 176.600 -0.040 0.000 1.041 466 E CA 1.104 57.472 56.400 -0.054 0.000 0.879 466 E CB -0.140 29.525 29.700 -0.059 0.000 0.997 466 E HN 0.387 8.718 8.360 -0.048 0.000 0.478 467 L N -0.629 120.580 121.223 -0.024 0.000 2.471 467 L HA 0.232 nan 4.340 nan 0.000 0.186 467 L C 0.355 177.223 176.870 -0.002 0.000 1.191 467 L CA 0.533 55.364 54.840 -0.016 0.000 0.835 467 L CB -0.082 41.968 42.059 -0.014 0.000 1.092 467 L HN -0.605 7.552 8.230 -0.020 0.061 0.495 468 N N -3.445 115.271 118.700 0.025 0.000 3.439 468 N HA 0.021 nan 4.740 nan 0.000 0.313 468 N C -1.955 173.634 175.510 0.131 0.000 1.598 468 N CA -0.827 52.266 53.050 0.073 0.000 0.830 468 N CB 1.613 40.126 38.487 0.042 0.000 1.849 468 N HN -0.516 7.875 8.380 0.019 0.000 0.598 469 N N -0.404 118.384 118.700 0.147 0.000 2.406 469 N HA -0.121 nan 4.740 nan 0.000 0.269 469 N C -1.486 173.977 175.510 -0.078 0.000 1.210 469 N CA 0.822 53.854 53.050 -0.029 0.000 0.966 469 N CB 0.025 38.401 38.487 -0.185 0.000 1.293 469 N HN 0.211 8.687 8.380 0.160 0.000 0.491 470 K N 3.494 123.847 120.400 -0.078 0.000 2.616 470 K HA 0.269 nan 4.320 nan 0.000 0.241 470 K C -0.315 176.230 176.600 -0.091 0.000 0.961 470 K CA -1.460 54.784 56.287 -0.073 0.000 0.942 470 K CB 1.110 33.584 32.500 -0.043 0.000 1.153 470 K HN -0.297 7.913 8.250 -0.066 0.000 0.452 471 L N 6.495 127.662 121.223 -0.094 0.000 2.930 471 L HA -0.000 nan 4.340 nan 0.000 0.250 471 L C -0.820 176.017 176.870 -0.055 0.000 1.320 471 L CA -0.886 53.898 54.840 -0.092 0.000 1.163 471 L CB -1.719 40.290 42.059 -0.085 0.000 1.542 471 L HN 0.842 9.020 8.230 -0.086 0.000 0.428 472 E N 1.539 121.704 120.200 -0.058 0.000 2.081 472 E HA 0.005 nan 4.350 nan 0.000 0.270 472 E C -1.304 175.266 176.600 -0.049 0.000 1.180 472 E CA -1.213 55.163 56.400 -0.040 0.000 0.926 472 E CB -0.649 29.028 29.700 -0.039 0.000 1.035 472 E HN -0.250 7.960 8.360 -0.069 0.109 0.418 473 P HA -0.127 nan 4.420 nan 0.000 0.222 473 P C 0.732 178.028 177.300 -0.006 0.000 1.153 473 P CA 2.430 65.531 63.100 0.003 0.000 0.798 473 P CB 0.295 32.008 31.700 0.022 0.000 0.796 474 D N -0.364 120.019 120.400 -0.029 0.000 2.097 474 D HA -0.322 nan 4.640 nan 0.000 0.197 474 D C 1.405 177.705 176.300 0.001 0.000 0.984 474 D CA 3.362 57.354 54.000 -0.013 0.000 0.826 474 D CB -0.430 40.358 40.800 -0.019 0.000 0.973 474 D HN 0.320 8.670 8.370 -0.034 0.000 0.460 475 E N -1.739 118.449 120.200 -0.020 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.476 179.043 176.600 -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 8.457 8.360 -0.026 0.000 0.453 476 Q N -1.433 118.306 119.800 -0.102 0.000 2.291 476 Q HA -0.244 nan 4.340 nan 0.000 0.205 476 Q C 2.256 178.195 176.000 -0.102 0.000 0.970 476 Q CA 2.567 58.224 55.803 -0.244 0.000 0.876 476 Q CB -0.249 28.194 28.738 -0.491 0.000 0.935 476 Q HN 0.115 8.151 8.270 -0.091 0.179 0.455 477 R N -1.444 119.143 120.500 0.146 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.712 178.140 176.300 0.214 0.000 1.127 477 R CA 2.608 58.886 56.100 0.298 0.000 0.989 477 R CB -0.490 29.935 30.300 0.207 0.000 0.869 477 R HN -0.207 8.004 8.270 0.094 0.116 0.459 478 R N -2.920 117.648 120.500 0.113 0.000 2.148 478 R HA -0.092 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.520 176.300 0.072 0.000 1.088 478 R CA 1.296 57.454 56.100 0.097 0.000 0.985 478 R CB -0.134 30.205 30.300 0.066 0.000 0.880 478 R HN -0.656 7.619 8.270 0.068 0.036 0.451 479 L N -1.468 119.768 121.223 0.022 0.000 2.316 479 L HA 0.062 nan 4.340 nan 0.000 0.207 479 L C 0.802 177.701 176.870 0.049 0.000 1.070 479 L CA 0.733 55.561 54.840 -0.019 0.000 0.820 479 L CB 0.112 42.094 42.059 -0.130 0.000 0.992 479 L HN -0.353 7.699 8.230 -0.008 0.173 0.466 480 F N -0.641 119.316 119.950 0.013 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.242 176.196 175.800 0.257 0.000 0.990 480 F CA 2.571 60.623 58.000 0.086 0.000 1.137 480 F CB -0.244 38.693 39.000 -0.105 0.000 0.960 480 F HN -0.213 8.098 8.300 0.018 0.000 0.533 481 I N -0.395 120.503 120.570 0.547 0.000 2.465 481 I HA 0.403 nan 4.170 nan 0.000 0.291 481 I C -1.644 174.632 176.117 0.266 0.000 1.014 481 I CA -2.166 59.342 61.300 0.346 0.000 1.093 481 I CB 3.318 41.418 38.000 0.168 0.000 1.267 481 I HN 0.722 9.160 8.210 0.570 0.114 0.431 482 E N 6.686 126.891 120.200 0.008 0.000 2.217 482 E HA -0.039 nan 4.350 nan 0.000 0.279 482 E C -1.150 175.368 176.600 -0.137 0.000 1.068 482 E CA 0.410 56.529 56.400 -0.468 0.000 0.882 482 E CB 0.440 29.928 29.700 -0.354 0.000 1.039 482 E HN 0.047 8.789 8.360 0.158 -0.287 0.418 483 L N 5.477 126.639 121.223 -0.102 0.000 2.375 483 L HA 0.146 nan 4.340 nan 0.000 0.215 483 L C -1.045 175.820 176.870 -0.007 0.000 1.108 483 L CA 0.472 55.334 54.840 0.037 0.000 0.830 483 L CB 1.104 43.286 42.059 0.205 0.000 0.959 483 L HN 0.813 8.830 8.230 -0.171 0.111 0.457 484 D N -3.109 117.243 120.400 -0.079 0.000 2.683 484 D HA 0.188 nan 4.640 nan 0.000 0.246 484 D C -3.037 173.249 176.300 -0.024 0.000 1.238 484 D CA -0.372 53.615 54.000 -0.022 0.000 0.759 484 D CB 2.679 43.472 40.800 -0.012 0.000 1.349 484 D HN -0.819 7.454 8.370 -0.162 0.000 0.426 485 K N 2.544 122.989 120.400 0.075 0.000 2.690 485 K HA 0.524 nan 4.320 nan 0.000 0.264 485 K C -2.149 174.539 176.600 0.148 0.000 1.040 485 K CA -0.159 56.148 56.287 0.033 0.000 0.946 485 K CB 1.827 34.334 32.500 0.012 0.000 1.268 485 K HN 0.175 8.509 8.250 0.141 0.000 0.473 486 F N 1.060 120.993 119.950 -0.028 0.000 2.675 486 F HA 0.438 nan 4.527 nan 0.000 0.324 486 F C -2.401 173.431 175.800 0.054 0.000 1.106 486 F CA -2.479 55.520 58.000 -0.001 0.000 0.970 486 F CB 2.905 41.887 39.000 -0.031 0.000 1.385 486 F HN 0.001 8.068 8.300 -0.388 0.000 0.489 487 F N -0.227 119.760 119.950 0.061 0.000 2.436 487 F HA 0.430 nan 4.527 nan 0.000 0.340 487 F C -2.276 173.660 175.800 0.227 0.000 1.113 487 F CA -1.688 56.226 58.000 -0.144 0.000 1.022 487 F CB 2.194 40.801 39.000 -0.655 0.000 1.128 487 F HN -0.042 8.492 8.300 0.390 0.000 0.466 488 Y N 7.192 127.323 120.300 -0.282 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.271 173.450 175.900 -0.299 0.000 1.084 488 Y CA -1.279 56.605 58.100 -0.360 0.000 1.068 488 Y CB 4.719 43.200 38.460 0.036 0.000 1.294 488 Y HN -0.229 8.146 8.280 0.158 0.000 0.480 489 T N 3.922 118.107 114.554 -0.615 0.000 2.841 489 T HA 0.592 nan 4.350 nan 0.000 0.283 489 T C -1.560 172.965 174.700 -0.291 0.000 1.000 489 T CA -0.637 61.285 62.100 -0.296 0.000 0.977 489 T CB 1.216 69.950 68.868 -0.224 0.000 0.979 489 T HN -0.004 7.436 8.240 -1.334 0.000 0.446 490 L N 5.901 127.068 121.223 -0.092 0.000 2.372 490 L HA 0.435 nan 4.340 nan 0.000 0.273 490 L C -0.503 176.338 176.870 -0.048 0.000 0.989 490 L CA -1.034 53.809 54.840 0.006 0.000 0.841 490 L CB 2.209 44.323 42.059 0.093 0.000 1.225 490 L HN 0.839 8.902 8.230 -0.111 0.100 0.414 491 T N 2.445 116.975 114.554 -0.040 0.000 2.748 491 T HA 0.213 nan 4.350 nan 0.000 0.304 491 T C -0.948 173.734 174.700 -0.030 0.000 1.041 491 T CA -2.163 59.911 62.100 -0.043 0.000 1.033 491 T CB -1.083 67.766 68.868 -0.031 0.000 0.995 491 T HN 0.069 8.468 8.240 -0.014 -0.168 0.536 492 P HA -0.294 nan 4.420 nan 0.000 0.268 492 P C -0.696 176.595 177.300 -0.015 0.000 1.208 492 P CA 0.556 63.639 63.100 -0.029 0.000 0.777 492 P CB 0.118 31.801 31.700 -0.027 0.000 0.875 493 G N 2.282 111.073 108.800 -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 -1.473 173.430 174.900 0.005 0.000 1.286 493 G CA -0.370 44.726 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 2.997 123.404 120.400 0.012 0.000 2.419 494 K HA -0.171 nan 4.320 nan 0.000 0.282 494 K C -0.822 175.798 176.600 0.034 0.000 1.056 494 K CA 1.035 57.335 56.287 0.022 0.000 1.035 494 K CB -0.224 32.288 32.500 0.020 0.000 0.921 494 K HN 0.116 8.371 8.250 0.008 0.000 0.472 495 N N 5.494 124.223 118.700 0.048 0.000 2.269 495 N HA 0.304 nan 4.740 nan 0.000 0.304 495 N C -1.685 173.868 175.510 0.072 0.000 1.072 495 N CA -0.513 52.582 53.050 0.075 0.000 0.802 495 N CB 4.248 42.800 38.487 0.107 0.000 1.348 495 N HN 0.555 8.858 8.380 0.044 0.103 0.484 496 T N -3.544 111.055 114.554 0.075 0.000 2.841 496 T HA 0.671 nan 4.350 nan 0.000 0.283 496 T C -0.905 173.805 174.700 0.016 0.000 1.000 496 T CA -1.722 60.406 62.100 0.047 0.000 0.977 496 T CB 1.445 70.334 68.868 0.036 0.000 0.979 496 T HN 0.205 8.499 8.240 0.091 0.000 0.446 497 I N 2.748 123.281 120.570 -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 59.819 61.300 -0.263 0.000 1.107 497 I CB 3.886 41.682 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 5.057 124.872 119.914 -0.164 0.000 2.588 498 V HA 0.596 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.527 176.094 -0.153 0.000 1.042 498 V CA -1.353 60.893 62.300 -0.091 0.000 0.877 498 V CB 1.795 33.580 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 7.283 127.722 120.500 -0.100 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.886 174.337 176.300 -0.128 0.000 1.056 499 R CA -1.760 54.234 56.100 -0.177 0.000 0.918 499 R CB 2.950 33.100 30.300 -0.250 0.000 1.187 499 R HN 0.329 8.582 8.270 -0.028 0.000 0.437 500 N N 6.424 125.014 118.700 -0.184 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.779 176.158 175.510 -0.218 0.000 1.119 500 N CA -0.427 52.505 53.050 -0.197 0.000 0.983 500 N CB 0.878 39.281 38.487 -0.140 0.000 1.139 500 N HN 0.463 8.722 8.380 -0.201 0.000 0.465 501 H N 3.451 122.338 119.070 -0.304 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.778 177.108 175.328 0.003 0.000 1.121 501 H CA 4.292 60.231 56.048 -0.182 0.000 1.207 501 H CB -0.051 29.754 29.762 0.073 0.000 1.355 501 H HN 0.636 8.779 8.280 -0.229 0.000 0.486 502 Q N -1.445 117.941 119.800 -0.691 0.000 2.124 502 Q HA -0.265 nan 4.340 nan 0.000 0.202 502 Q C 0.966 176.834 176.000 -0.221 0.000 0.977 502 Q CA 2.409 57.851 55.803 -0.602 0.000 0.850 502 Q CB -0.752 27.752 28.738 -0.389 0.000 0.901 502 Q HN 0.335 8.257 8.270 -0.479 0.061 0.429 503 D N -2.556 117.735 120.400 -0.183 0.000 2.344 503 D HA 0.169 nan 4.640 nan 0.000 0.242 503 D C -0.390 175.861 176.300 -0.082 0.000 1.159 503 D CA -0.980 52.946 54.000 -0.123 0.000 0.859 503 D CB -0.519 40.187 40.800 -0.157 0.000 0.925 503 D HN -0.688 7.523 8.370 -0.222 0.026 0.510 504 S N 0.520 116.198 115.700 -0.037 0.000 2.544 504 S HA -0.175 nan 4.470 nan 0.000 0.290 504 S C 0.591 175.182 174.600 -0.015 0.000 1.276 504 S CA 0.751 58.955 58.200 0.007 0.000 1.075 504 S CB 0.344 63.587 63.200 0.072 0.000 0.849 504 S HN -0.746 7.439 8.310 -0.043 0.099 0.494 505 S N 9.278 124.965 115.700 -0.021 0.000 2.727 505 S HA -0.050 nan 4.470 nan 0.000 0.226 505 S C -0.088 174.463 174.600 -0.081 0.000 0.963 505 S CA 2.259 60.444 58.200 -0.026 0.000 0.950 505 S CB -0.316 62.887 63.200 0.004 0.000 0.779 505 S HN 0.376 8.833 8.310 -0.005 -0.150 0.532 506 V N -7.094 112.713 119.914 -0.178 0.000 3.635 506 V HA 0.387 nan 4.120 nan 0.000 0.266 506 V C -0.989 175.034 176.094 -0.118 0.000 1.316 506 V CA -0.181 61.870 62.300 -0.415 0.000 1.060 506 V CB 0.684 31.866 31.823 -1.068 0.000 0.820 506 V HN -0.727 7.292 8.190 -0.122 0.098 0.447 507 T N -1.112 113.445 114.554 0.005 0.000 2.928 507 T HA 0.478 nan 4.350 nan 0.000 0.284 507 T C -0.840 173.925 174.700 0.109 0.000 1.008 507 T CA -2.024 60.141 62.100 0.108 0.000 1.057 507 T CB 1.438 70.383 68.868 0.130 0.000 1.018 507 T HN -0.711 7.520 8.240 -0.016 0.000 0.493 508 I N 3.201 123.846 120.570 0.126 0.000 2.474 508 I HA -0.065 nan 4.170 nan 0.000 0.287 508 I C -0.861 175.297 176.117 0.069 0.000 1.048 508 I CA -1.196 60.154 61.300 0.083 0.000 1.383 508 I CB 1.545 39.597 38.000 0.087 0.000 1.412 508 I HN 0.034 8.335 8.210 0.151 0.000 0.531 509 S N 7.888 123.605 115.700 0.029 0.000 2.338 509 S HA -0.006 nan 4.470 nan 0.000 0.197 509 S C 0.331 174.937 174.600 0.009 0.000 0.990 509 S CA 1.171 59.386 58.200 0.025 0.000 0.920 509 S CB 0.642 63.839 63.200 -0.004 0.000 0.903 509 S HN -0.138 8.339 8.310 0.009 -0.161 0.542 510 K N 3.021 123.399 120.400 -0.037 0.000 2.263 510 K HA 0.115 nan 4.320 nan 0.000 0.282 510 K C -0.871 175.672 176.600 -0.095 0.000 1.089 510 K CA -1.334 54.920 56.287 -0.055 0.000 0.907 510 K CB 0.001 32.459 32.500 -0.069 0.000 1.148 510 K HN -0.199 8.018 8.250 -0.055 0.000 0.470 511 V N 4.809 124.700 119.914 -0.039 0.000 3.237 511 V HA 0.081 nan 4.120 nan 0.000 0.305 511 V C -0.565 175.498 176.094 -0.053 0.000 1.096 511 V CA -0.065 62.213 62.300 -0.037 0.000 1.130 511 V CB 0.818 32.652 31.823 0.018 0.000 1.048 511 V HN -0.045 8.144 8.190 -0.002 0.000 0.484 512 R N 4.535 125.011 120.500 -0.040 0.000 2.500 512 R HA 0.263 nan 4.340 nan 0.000 0.299 512 R C -1.376 174.927 176.300 0.005 0.000 1.038 512 R CA -1.135 54.957 56.100 -0.013 0.000 0.903 512 R CB 2.160 32.467 30.300 0.010 0.000 1.177 512 R HN -0.015 8.238 8.270 -0.028 0.000 0.455 513 T N 4.415 118.973 114.554 0.007 0.000 2.898 513 T HA 0.112 nan 4.350 nan 0.000 0.301 513 T C 1.043 175.761 174.700 0.029 0.000 1.049 513 T CA -0.696 61.405 62.100 0.002 0.000 1.095 513 T CB 1.098 69.956 68.868 -0.017 0.000 0.976 513 T HN 0.155 8.399 8.240 0.008 0.000 0.539 514 F N 5.671 125.510 119.950 -0.185 0.000 2.176 514 F HA -0.451 nan 4.527 nan 0.000 0.301 514 F C 1.104 176.860 175.800 -0.072 0.000 1.071 514 F CA 3.957 61.859 58.000 -0.163 0.000 1.289 514 F CB 0.314 39.103 39.000 -0.352 0.000 1.028 514 F HN 0.402 9.070 8.300 0.067 -0.327 0.494 515 D N -2.667 117.836 120.400 0.171 0.000 2.144 515 D HA -0.245 nan 4.640 nan 0.000 0.200 515 D C 2.677 179.034 176.300 0.094 0.000 0.978 515 D CA 3.276 57.375 54.000 0.165 0.000 0.833 515 D CB -0.596 40.274 40.800 0.116 0.000 0.961 515 D HN -0.619 7.751 8.370 0.065 0.040 0.470 516 Q N -0.534 119.299 119.800 0.055 0.000 2.030 516 Q HA -0.302 nan 4.340 nan 0.000 0.204 516 Q C 2.568 178.577 176.000 0.015 0.000 0.986 516 Q CA 2.947 58.771 55.803 0.034 0.000 0.843 516 Q CB 0.017 28.775 28.738 0.034 0.000 0.904 516 Q HN -0.587 7.714 8.270 0.051 0.000 0.420 517 L N -1.607 119.605 121.223 -0.018 0.000 2.079 517 L HA -0.298 nan 4.340 nan 0.000 0.210 517 L C 2.408 179.237 176.870 -0.070 0.000 1.081 517 L CA 2.157 56.945 54.840 -0.088 0.000 0.752 517 L CB -0.648 41.280 42.059 -0.218 0.000 0.896 517 L HN -0.549 7.673 8.230 -0.013 0.000 0.433 518 G N -2.389 106.411 108.800 0.000 0.000 2.517 518 G HA2 -0.326 nan 3.960 nan 0.000 0.222 518 G HA3 -0.326 nan 3.960 nan 0.000 0.222 518 G C -0.319 174.601 174.900 0.033 0.000 1.109 518 G CA 1.339 46.474 45.100 0.057 0.000 0.746 518 G HN 0.079 8.390 8.290 0.034 0.000 0.576 519 A N 0.422 123.254 122.820 0.020 0.000 2.051 519 A HA 0.386 nan 4.320 nan 0.000 0.218 519 A C -0.562 177.014 177.584 -0.014 0.000 1.575 519 A CA -0.076 51.966 52.037 0.009 0.000 0.700 519 A CB 1.455 20.464 19.000 0.016 0.000 1.245 519 A HN -0.319 7.709 8.150 0.025 0.136 0.536 520 G N -2.125 106.666 108.800 -0.016 0.000 2.841 520 G HA2 -0.204 nan 3.960 nan 0.000 0.684 520 G HA3 -0.204 nan 3.960 nan 0.000 0.684 520 G C -1.799 173.091 174.900 -0.017 0.000 1.273 520 G CA -0.300 44.780 45.100 -0.033 0.000 0.811 520 G HN -0.259 8.029 8.290 -0.003 0.000 0.631 521 E N 0.932 121.127 120.200 -0.009 0.000 2.698 521 E HA 0.457 nan 4.350 nan 0.000 0.185 521 E C -0.617 175.978 176.600 -0.008 0.000 0.702 521 E CA -1.013 55.392 56.400 0.008 0.000 1.104 521 E CB 1.890 31.619 29.700 0.048 0.000 1.831 521 E HN 0.248 8.596 8.360 -0.019 0.000 0.370 522 G N -0.640 108.168 108.800 0.014 0.000 2.919 522 G HA2 0.255 nan 3.960 nan 0.000 0.303 522 G HA3 0.255 nan 3.960 nan 0.000 0.303 522 G C -1.651 173.272 174.900 0.038 0.000 1.611 522 G CA -0.119 44.980 45.100 -0.001 0.000 0.876 522 G HN 0.041 8.351 8.290 0.034 0.000 0.481 523 V N 1.954 121.924 119.914 0.094 0.000 3.250 523 V HA 0.289 nan 4.120 nan 0.000 0.240 523 V C 0.292 176.482 176.094 0.160 0.000 1.275 523 V CA 1.855 64.246 62.300 0.151 0.000 1.206 523 V CB 1.729 33.701 31.823 0.248 0.000 0.976 523 V HN 0.566 8.802 8.190 0.077 0.000 0.467 524 S N -0.441 115.349 115.700 0.151 0.000 4.438 524 S HA 0.026 nan 4.470 nan 0.000 0.233 524 S C -1.472 173.006 174.600 -0.204 0.000 1.080 524 S CA -0.393 57.793 58.200 -0.022 0.000 1.101 524 S CB 0.665 63.856 63.200 -0.015 0.000 1.989 524 S HN -0.540 7.959 8.310 0.314 0.000 0.546 525 E N 0.441 120.489 120.200 -0.254 0.000 2.646 525 E HA 0.256 nan 4.350 nan 0.000 0.336 525 E C -1.836 174.591 176.600 -0.288 0.000 1.027 525 E CA 0.005 56.166 56.400 -0.399 0.000 0.765 525 E CB 2.890 32.410 29.700 -0.300 0.000 1.545 525 E HN 0.065 8.331 8.360 -0.156 0.000 0.382 526 D N 1.759 121.987 120.400 -0.286 0.000 3.093 526 D HA 0.246 nan 4.640 nan 0.000 0.200 526 D C -0.883 175.314 176.300 -0.172 0.000 1.344 526 D CA -1.107 52.799 54.000 -0.157 0.000 1.133 526 D CB 2.102 42.868 40.800 -0.057 0.000 1.188 526 D HN 0.023 8.129 8.370 -0.440 0.000 0.583 527 S N -0.394 115.245 115.700 -0.100 0.000 3.962 527 S HA 0.212 nan 4.470 nan 0.000 0.175 527 S C 1.263 175.803 174.600 -0.101 0.000 1.091 527 S CA 0.755 58.877 58.200 -0.130 0.000 1.174 527 S CB 1.427 64.518 63.200 -0.182 0.000 1.845 527 S HN 0.205 8.480 8.310 -0.058 0.000 0.835 528 T N 2.925 117.380 114.554 -0.165 0.000 3.055 528 T HA 0.139 nan 4.350 nan 0.000 0.265 528 T C 0.504 175.079 174.700 -0.208 0.000 1.111 528 T CA 2.758 64.721 62.100 -0.228 0.000 1.118 528 T CB -0.279 68.433 68.868 -0.258 0.000 0.909 528 T HN 0.209 8.327 8.240 -0.204 0.000 0.501 529 E N 0.507 120.651 120.200 -0.095 0.000 1.998 529 E HA -0.284 nan 4.350 nan 0.000 0.195 529 E C 1.427 178.049 176.600 0.036 0.000 0.994 529 E CA 1.547 57.944 56.400 -0.006 0.000 0.835 529 E CB -0.729 28.976 29.700 0.009 0.000 0.786 529 E HN -0.089 8.201 8.360 -0.115 0.000 0.467 530 Y N 0.281 120.551 120.300 -0.051 0.000 2.987 530 Y HA -0.477 nan 4.550 nan 0.000 0.396 530 Y C -0.730 175.164 175.900 -0.011 0.000 1.215 530 Y CA 2.171 60.247 58.100 -0.041 0.000 2.315 530 Y CB -0.482 37.932 38.460 -0.076 0.000 0.595 530 Y HN 0.219 8.574 8.280 0.126 0.000 0.582 531 C N -7.883 111.213 119.300 -0.340 0.000 3.724 531 C HA 0.329 nan 4.460 nan 0.000 0.325 531 C C -1.138 173.805 174.990 -0.079 0.000 2.763 531 C CA -1.890 56.924 59.018 -0.339 0.000 1.574 531 C CB -0.076 27.335 27.740 -0.548 0.000 3.199 531 C HN -0.253 7.844 8.230 -0.110 0.068 0.384 532 S N 0.029 115.743 115.700 0.024 0.000 2.364 532 S HA 0.165 nan 4.470 nan 0.000 0.274 532 S C -0.985 173.829 174.600 0.356 0.000 1.016 532 S CA 1.554 59.860 58.200 0.176 0.000 1.332 532 S CB 1.330 64.547 63.200 0.028 0.000 1.056 532 S HN 0.271 8.588 8.310 0.012 0.000 0.525 533 C N -0.479 118.980 119.300 0.266 0.000 2.534 533 C HA 0.352 nan 4.460 nan 0.000 0.398 533 C C -0.693 174.578 174.990 0.469 0.000 1.609 533 C CA -0.047 59.218 59.018 0.412 0.000 1.916 533 C CB 2.106 30.014 27.740 0.279 0.000 1.954 533 C HN -0.318 7.885 8.230 0.143 0.113 0.508 534 G N 0.242 109.421 108.800 0.631 0.000 2.721 534 G HA2 -0.310 nan 3.960 nan 0.000 0.686 534 G HA3 -0.310 nan 3.960 nan 0.000 0.686 534 G C -1.606 173.476 174.900 0.304 0.000 1.236 534 G CA -0.533 44.810 45.100 0.404 0.000 0.786 534 G HN -0.091 8.689 8.290 0.817 0.000 0.616 535 W N 1.937 123.219 121.300 -0.030 0.000 2.190 535 W HA 0.025 nan 4.660 nan 0.000 0.330 535 W C -1.251 175.280 176.519 0.021 0.000 1.299 535 W CA -1.876 55.439 57.345 -0.050 0.000 1.215 535 W CB 1.165 30.713 29.460 0.147 0.000 1.147 535 W HN 0.679 9.026 8.180 0.404 0.075 0.563 536 P HA -0.124 nan 4.420 nan 0.000 0.268 536 P C -0.402 176.869 177.300 -0.048 0.000 1.208 536 P CA 0.029 63.012 63.100 -0.194 0.000 0.777 536 P CB 0.542 31.968 31.700 -0.458 0.000 0.875 537 E N 4.084 124.326 120.200 0.070 0.000 2.016 537 E HA -0.390 nan 4.350 nan 0.000 0.190 537 E C 1.153 177.939 176.600 0.311 0.000 0.985 537 E CA 3.416 59.966 56.400 0.250 0.000 0.802 537 E CB -0.134 29.732 29.700 0.276 0.000 0.762 537 E HN 0.643 9.046 8.360 0.072 0.000 0.448 538 H N -3.476 115.670 119.070 0.127 0.000 2.520 538 H HA -0.175 nan 4.556 nan 0.000 0.295 538 H C 0.192 175.696 175.328 0.294 0.000 1.096 538 H CA 2.123 58.250 56.048 0.132 0.000 1.249 538 H CB -1.052 28.682 29.762 -0.047 0.000 1.365 538 H HN 0.247 8.729 8.280 0.337 0.000 0.556 539 M N -2.262 117.396 119.600 0.097 0.000 2.475 539 M HA 0.192 nan 4.480 nan 0.000 0.283 539 M C -0.163 176.388 176.300 0.419 0.000 1.165 539 M CA -2.648 52.826 55.300 0.291 0.000 0.976 539 M CB -0.749 31.999 32.600 0.247 0.000 1.428 539 M HN -0.733 7.444 8.290 -0.087 0.060 0.495 540 L N 1.193 122.631 121.223 0.359 0.000 2.131 540 L HA -0.188 nan 4.340 nan 0.000 0.210 540 L C -1.114 175.803 176.870 0.078 0.000 1.092 540 L CA 2.817 57.808 54.840 0.252 0.000 0.759 540 L CB 0.486 42.671 42.059 0.210 0.000 0.903 540 L HN -0.140 8.154 8.230 0.403 0.178 0.435 541 I N -3.458 117.084 120.570 -0.047 0.000 2.478 541 I HA 0.192 nan 4.170 nan 0.000 0.287 541 I C -2.668 173.403 176.117 -0.078 0.000 1.042 541 I CA -3.313 57.899 61.300 -0.147 0.000 1.067 541 I CB 1.966 39.742 38.000 -0.374 0.000 1.233 541 I HN -0.547 7.658 8.210 0.025 0.020 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.378 175.851 177.300 -0.118 0.000 1.221 542 P CA -0.236 62.818 63.100 -0.077 0.000 0.788 542 P CB 0.710 32.347 31.700 -0.105 0.000 0.904 543 R N 1.403 121.854 120.500 -0.082 0.000 2.127 543 R HA -0.377 nan 4.340 nan 0.000 0.238 543 R C 0.823 177.096 176.300 -0.045 0.000 1.134 543 R CA 1.897 57.916 56.100 -0.136 0.000 0.975 543 R CB 0.464 30.500 30.300 -0.441 0.000 0.865 543 R HN 0.232 8.833 8.270 -0.033 -0.351 0.447 544 G N -2.156 106.648 108.800 0.007 0.000 2.561 544 G HA2 -0.434 nan 3.960 nan 0.000 0.289 544 G HA3 -0.434 nan 3.960 nan 0.000 0.289 544 G C -0.710 174.262 174.900 0.119 0.000 1.169 544 G CA 0.361 45.559 45.100 0.163 0.000 0.980 544 G HN -0.641 7.619 8.290 0.010 0.035 0.550 545 S N -0.722 115.054 115.700 0.128 0.000 2.625 545 S HA 0.240 nan 4.470 nan 0.000 0.271 545 S C -0.122 174.572 174.600 0.158 0.000 1.161 545 S CA -0.869 57.400 58.200 0.114 0.000 0.820 545 S CB 2.432 65.675 63.200 0.072 0.000 1.137 545 S HN -0.446 7.945 8.310 0.136 0.000 0.470 546 H N 3.996 123.129 119.070 0.105 0.000 2.423 546 H HA -0.173 nan 4.556 nan 0.000 0.297 546 H C -0.408 174.953 175.328 0.056 0.000 1.075 546 H CA 2.362 58.469 56.048 0.098 0.000 1.342 546 H CB 0.324 30.138 29.762 0.086 0.000 1.395 546 H HN 0.661 9.082 8.280 0.235 0.000 0.530 547 K N -5.170 115.178 120.400 -0.086 0.000 2.147 547 K HA -0.188 nan 4.320 nan 0.000 0.205 547 K C 0.399 176.947 176.600 -0.087 0.000 1.049 547 K CA 0.474 56.699 56.287 -0.103 0.000 0.936 547 K CB -0.110 32.368 32.500 -0.037 0.000 0.722 547 K HN -0.215 8.029 8.250 0.025 0.021 0.446 548 G N 0.838 109.617 108.800 -0.035 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.399 173.553 174.900 0.087 0.000 1.134 548 G CA -0.600 44.511 45.100 0.019 0.000 1.049 548 G HN -0.588 7.517 8.290 -0.020 0.173 0.458 549 M N 2.576 122.278 119.600 0.169 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.080 174.447 176.300 0.378 0.000 1.153 549 M CA -0.464 54.984 55.300 0.246 0.000 1.084 549 M CB 3.175 35.961 32.600 0.310 0.000 1.468 549 M HN 0.200 8.595 8.290 0.176 0.000 0.474 550 E N 0.671 121.038 120.200 0.279 0.000 2.224 550 E HA 0.707 nan 4.350 nan 0.000 0.265 550 E C -1.451 175.140 176.600 -0.015 0.000 0.878 550 E CA -1.141 55.378 56.400 0.199 0.000 0.759 550 E CB 2.611 32.395 29.700 0.141 0.000 1.164 550 E HN 0.143 8.596 8.360 0.153 0.000 0.414 551 F N 4.518 124.452 119.950 -0.026 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 -0.047 0.000 1.177 551 F CA -1.330 56.646 58.000 -0.040 0.000 1.036 551 F CB 5.007 43.996 39.000 -0.018 0.000 1.455 551 F HN 0.826 9.281 8.300 0.259 0.000 0.520 552 E N -0.396 119.920 120.200 0.194 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.723 176.600 0.246 0.000 0.889 552 E CA -1.342 55.130 56.400 0.120 0.000 0.789 552 E CB 3.576 33.274 29.700 -0.002 0.000 1.221 552 E HN 0.537 8.986 8.360 0.289 0.084 0.414 553 L N 8.393 129.771 121.223 0.258 0.000 2.287 553 L HA 0.372 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.946 176.870 0.431 0.000 1.055 553 L CA -0.761 54.300 54.840 0.367 0.000 0.863 553 L CB 0.989 43.258 42.059 0.350 0.000 1.245 553 L HN 0.073 8.416 8.230 0.188 0.000 0.432 554 F N 8.958 129.155 119.950 0.411 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.815 174.235 175.800 0.417 0.000 1.123 554 F CA -2.799 55.441 58.000 0.399 0.000 1.044 554 F CB 2.052 41.331 39.000 0.465 0.000 1.135 554 F HN 0.392 9.012 8.300 0.739 0.124 0.461 555 V N 8.121 128.451 119.914 0.693 0.000 2.630 555 V HA 0.643 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.204 176.094 0.296 0.000 1.046 555 V CA -1.851 60.685 62.300 0.393 0.000 0.934 555 V CB 2.614 34.585 31.823 0.245 0.000 1.003 555 V HN 0.973 9.494 8.190 0.744 0.115 0.451 556 M N 3.568 123.253 119.600 0.141 0.000 2.530 556 M HA 0.740 nan 4.480 nan 0.000 0.307 556 M C -2.236 174.056 176.300 -0.013 0.000 1.161 556 M CA -1.494 53.819 55.300 0.021 0.000 0.903 556 M CB 4.435 36.968 32.600 -0.113 0.000 1.711 556 M HN 0.671 9.048 8.290 0.146 0.000 0.451 557 L N 5.210 126.429 121.223 -0.008 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.760 174.943 176.870 -0.278 0.000 1.006 557 L CA -0.649 54.141 54.840 -0.084 0.000 0.836 557 L CB 0.884 43.022 42.059 0.132 0.000 1.221 557 L HN 0.568 8.825 8.230 0.045 0.000 0.418 558 T N 4.795 119.092 114.554 -0.428 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.525 172.594 174.700 -0.969 0.000 1.012 558 T CA -1.653 60.105 62.100 -0.570 0.000 0.997 558 T CB 2.015 70.754 68.868 -0.214 0.000 1.136 558 T HN 0.478 8.548 8.240 -0.283 0.000 0.551 559 D N 0.390 120.347 120.400 -0.738 0.000 2.255 559 D HA 0.232 nan 4.640 nan 0.000 0.249 559 D C 0.160 176.348 176.300 -0.186 0.000 1.078 559 D CA -0.532 53.185 54.000 -0.471 0.000 0.896 559 D CB 1.790 42.560 40.800 -0.049 0.000 1.194 559 D HN 0.310 8.413 8.370 -0.444 0.000 0.429 560 H N 5.471 124.496 119.070 -0.074 0.000 2.448 560 H HA -0.094 nan 4.556 nan 0.000 0.292 560 H C 2.045 177.280 175.328 -0.154 0.000 1.035 560 H CA 3.132 59.123 56.048 -0.095 0.000 1.349 560 H CB 0.949 30.692 29.762 -0.031 0.000 1.425 560 H HN 0.344 8.647 8.280 0.183 0.087 0.539 561 D N -1.165 119.153 120.400 -0.136 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.334 177.524 176.300 -0.183 0.000 0.969 561 D CA 3.051 56.947 54.000 -0.174 0.000 0.842 561 D CB -0.265 40.512 40.800 -0.037 0.000 0.957 561 D HN -0.047 8.599 8.370 0.053 -0.245 0.484 562 E N 0.072 120.183 120.200 -0.148 0.000 2.015 562 E HA -0.264 nan 4.350 nan 0.000 0.191 562 E C 1.121 177.580 176.600 -0.236 0.000 0.991 562 E CA 2.464 58.769 56.400 -0.159 0.000 0.802 562 E CB 0.403 30.026 29.700 -0.129 0.000 0.759 562 E HN -0.762 7.756 8.360 -0.090 -0.213 0.447 563 D N -3.181 117.037 120.400 -0.304 0.000 2.178 563 D HA -0.043 nan 4.640 nan 0.000 0.201 563 D C 0.639 176.706 176.300 -0.389 0.000 0.980 563 D CA 1.752 55.556 54.000 -0.326 0.000 0.842 563 D CB 0.600 41.228 40.800 -0.287 0.000 0.948 563 D HN -0.300 7.785 8.370 -0.293 0.110 0.472 564 T N 0.978 115.178 114.554 -0.589 0.000 2.814 564 T HA -0.001 nan 4.350 nan 0.000 0.297 564 T C 0.505 175.039 174.700 -0.275 0.000 0.956 564 T CA 0.497 62.301 62.100 -0.494 0.000 1.123 564 T CB 0.421 68.922 68.868 -0.611 0.000 0.902 564 T HN -0.398 7.344 8.240 -0.679 0.091 0.528 565 V N 4.127 123.929 119.914 -0.188 0.000 2.694 565 V HA -0.030 nan 4.120 nan 0.000 0.306 565 V C -0.759 175.263 176.094 -0.120 0.000 1.054 565 V CA -0.435 61.790 62.300 -0.126 0.000 1.161 565 V CB 0.235 32.009 31.823 -0.081 0.000 0.916 565 V HN -0.304 7.777 8.190 -0.181 0.000 0.490 566 A N 4.786 127.547 122.820 -0.098 0.000 2.303 566 A HA 0.463 nan 4.320 nan 0.000 0.317 566 A C -0.633 176.917 177.584 -0.058 0.000 1.149 566 A CA -0.210 51.777 52.037 -0.083 0.000 0.822 566 A CB 1.100 20.053 19.000 -0.078 0.000 1.131 566 A HN 0.314 8.409 8.150 -0.091 0.000 0.493 567 G N -0.052 108.719 108.800 -0.049 0.000 2.313 567 G HA2 0.013 nan 3.960 nan 0.000 0.296 567 G HA3 0.013 nan 3.960 nan 0.000 0.296 567 G C -2.281 172.601 174.900 -0.031 0.000 1.356 567 G CA -0.099 44.980 45.100 -0.034 0.000 0.833 567 G HN -0.081 8.177 8.290 -0.054 0.000 0.552 568 L N 0.515 121.724 121.223 -0.023 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.502 176.359 176.870 -0.015 0.000 0.982 568 L CA 0.279 55.107 54.840 -0.020 0.000 0.843 568 L CB 1.384 43.433 42.059 -0.017 0.000 1.225 568 L HN 0.277 8.496 8.230 -0.019 0.000 0.412 569 S N 3.770 119.460 115.700 -0.016 0.000 3.576 569 S HA 0.161 nan 4.470 nan 0.000 0.179 569 S C -0.934 173.658 174.600 -0.013 0.000 0.977 569 S CA -0.585 57.607 58.200 -0.013 0.000 1.189 569 S CB 0.838 64.030 63.200 -0.013 0.000 1.443 569 S HN 0.549 8.848 8.310 -0.019 0.000 0.874 570 E N 0.429 120.622 120.200 -0.012 0.000 2.446 570 E HA 0.207 nan 4.350 nan 0.000 0.269 570 E C -1.668 174.927 176.600 -0.008 0.000 0.977 570 E CA -0.302 56.091 56.400 -0.011 0.000 0.854 570 E CB 1.477 31.171 29.700 -0.011 0.000 1.545 570 E HN 0.042 8.394 8.360 -0.013 0.000 0.448 571 N N -0.306 118.389 118.700 -0.007 0.000 2.250 571 N HA -0.135 nan 4.740 nan 0.000 0.256 571 N C -1.421 174.090 175.510 0.002 0.000 1.302 571 N CA 0.078 53.126 53.050 -0.003 0.000 0.894 571 N CB 0.357 38.841 38.487 -0.004 0.000 1.067 571 N HN 0.014 8.389 8.380 -0.010 0.000 0.487 572 A N -1.866 120.957 122.820 0.005 0.000 2.404 572 A HA 0.047 nan 4.320 nan 0.000 0.273 572 A C -1.392 176.199 177.584 0.011 0.000 1.144 572 A CA 0.229 52.272 52.037 0.009 0.000 0.806 572 A CB 0.455 19.461 19.000 0.011 0.000 1.080 572 A HN 0.012 8.165 8.150 0.005 0.000 0.509 573 V N 4.083 124.006 119.914 0.015 0.000 5.000 573 V HA 0.169 nan 4.120 nan 0.000 0.311 573 V C -0.513 175.602 176.094 0.035 0.000 1.608 573 V CA -0.661 61.653 62.300 0.024 0.000 0.814 573 V CB 1.932 33.763 31.823 0.013 0.000 1.241 573 V HN -0.053 8.146 8.190 0.015 0.000 0.451 574 C N 3.743 123.070 119.300 0.045 0.000 3.424 574 C HA 0.230 nan 4.460 nan 0.000 0.577 574 C C 0.174 175.189 174.990 0.042 0.000 1.086 574 C CA -0.308 58.741 59.018 0.052 0.000 1.153 574 C CB -3.325 24.453 27.740 0.063 0.000 1.411 574 C HN 0.462 8.715 8.230 0.040 0.000 0.636 575 S N 3.184 118.904 115.700 0.033 0.000 2.559 575 S HA 0.154 nan 4.470 nan 0.000 0.226 575 S C 0.710 175.330 174.600 0.034 0.000 1.000 575 S CA 1.399 59.617 58.200 0.030 0.000 0.948 575 S CB 1.264 64.472 63.200 0.014 0.000 0.870 575 S HN 0.212 8.451 8.310 0.029 0.089 0.497 576 D N 3.053 123.474 120.400 0.035 0.000 2.103 576 D HA -0.247 nan 4.640 nan 0.000 0.190 576 D C 0.257 176.582 176.300 0.042 0.000 0.997 576 D CA 3.022 57.039 54.000 0.027 0.000 0.833 576 D CB -0.216 40.596 40.800 0.020 0.000 0.961 576 D HN -0.116 8.220 8.370 0.036 0.056 0.447 577 A N -0.786 122.082 122.820 0.080 0.000 2.728 577 A HA 0.093 nan 4.320 nan 0.000 0.258 577 A C 1.267 178.935 177.584 0.140 0.000 1.454 577 A CA -0.197 51.907 52.037 0.111 0.000 1.146 577 A CB -1.292 17.827 19.000 0.198 0.000 0.985 577 A HN -0.155 8.048 8.150 0.088 0.000 0.603 578 V N -2.756 117.209 119.914 0.086 0.000 2.380 578 V HA -0.456 nan 4.120 nan 0.000 0.251 578 V C 1.421 177.625 176.094 0.184 0.000 1.063 578 V CA 2.669 65.014 62.300 0.075 0.000 1.055 578 V CB -1.139 30.652 31.823 -0.053 0.000 0.657 578 V HN 0.193 8.338 8.190 0.050 0.075 0.455 579 S N 3.074 118.895 115.700 0.202 0.000 2.363 579 S HA -0.248 nan 4.470 nan 0.000 0.218 579 S C 1.660 176.659 174.600 0.666 0.000 1.035 579 S CA 3.111 61.565 58.200 0.423 0.000 1.043 579 S CB 0.127 63.416 63.200 0.147 0.000 0.986 579 S HN 0.217 8.477 8.310 0.087 0.102 0.423 580 Y N -2.214 118.297 120.300 0.352 0.000 2.583 580 Y HA 0.033 nan 4.550 nan 0.000 0.293 580 Y C 0.117 176.324 175.900 0.512 0.000 1.157 580 Y CA -0.168 58.115 58.100 0.306 0.000 1.315 580 Y CB -0.300 38.225 38.460 0.108 0.000 1.021 580 Y HN -0.010 8.423 8.280 0.257 0.000 0.536 581 C N -4.844 114.867 119.300 0.686 0.000 3.217 581 C HA 0.399 nan 4.460 nan 0.000 0.220 581 C C -0.839 174.446 174.990 0.491 0.000 2.519 581 C CA -0.001 59.413 59.018 0.660 0.000 1.255 581 C CB 3.190 31.281 27.740 0.584 0.000 1.291 581 C HN -0.561 7.923 8.230 0.602 0.108 0.714 582 G N -0.855 108.161 108.800 0.361 0.000 2.240 582 G HA2 -0.100 nan 3.960 nan 0.000 0.199 582 G HA3 -0.100 nan 3.960 nan 0.000 0.199 582 G C -2.832 172.151 174.900 0.138 0.000 1.342 582 G CA 0.240 45.497 45.100 0.260 0.000 1.145 582 G HN 0.074 8.557 8.290 0.322 0.000 0.477 583 A N -0.385 122.492 122.820 0.095 0.000 2.609 583 A HA 0.232 nan 4.320 nan 0.000 0.291 583 A C -1.794 175.805 177.584 0.025 0.000 1.096 583 A CA -0.858 51.206 52.037 0.045 0.000 0.684 583 A CB 2.389 21.400 19.000 0.018 0.000 1.282 583 A HN 0.036 8.255 8.150 0.114 0.000 0.412 584 R N -0.284 120.218 120.500 0.004 0.000 2.407 584 R HA 0.093 nan 4.340 nan 0.000 0.303 584 R C -0.622 175.669 176.300 -0.014 0.000 0.981 584 R CA 0.080 56.169 56.100 -0.017 0.000 0.905 584 R CB 0.687 30.967 30.300 -0.034 0.000 1.099 584 R HN 0.481 8.754 8.270 0.006 0.000 0.459 585 D N 0.400 120.788 120.400 -0.020 0.000 2.713 585 D HA -0.311 nan 4.640 nan 0.000 0.231 585 D C -1.487 174.812 176.300 -0.002 0.000 1.173 585 D CA 1.501 55.494 54.000 -0.012 0.000 0.628 585 D CB -0.426 40.369 40.800 -0.009 0.000 1.033 585 D HN 0.250 8.600 8.370 -0.034 0.000 0.419 586 D N -2.071 118.332 120.400 0.006 0.000 2.732 586 D HA 0.240 nan 4.640 nan 0.000 0.292 586 D C -1.619 174.698 176.300 0.029 0.000 1.135 586 D CA -1.550 52.455 54.000 0.008 0.000 1.071 586 D CB 2.469 43.269 40.800 -0.001 0.000 1.457 586 D HN -0.445 7.918 8.370 0.010 0.013 0.547 587 R N -0.247 120.269 120.500 0.027 0.000 2.719 587 R HA 0.173 nan 4.340 nan 0.000 0.233 587 R C -0.934 175.416 176.300 0.083 0.000 1.257 587 R CA -0.992 55.145 56.100 0.062 0.000 1.109 587 R CB 2.038 32.364 30.300 0.043 0.000 1.447 587 R HN 0.155 8.429 8.270 0.007 0.000 0.537 588 Y N 1.442 121.753 120.300 0.018 0.000 2.637 588 Y HA 0.145 nan 4.550 nan 0.000 0.350 588 Y C -0.722 175.171 175.900 -0.011 0.000 1.069 588 Y CA -1.693 56.417 58.100 0.017 0.000 1.397 588 Y CB 0.410 38.876 38.460 0.009 0.000 1.163 588 Y HN 0.239 8.656 8.280 0.229 0.000 0.527 589 P HA -0.278 nan 4.420 nan 0.000 0.227 589 P C -1.628 175.570 177.300 -0.171 0.000 1.145 589 P CA 1.393 64.363 63.100 -0.216 0.000 0.769 589 P CB -0.104 31.464 31.700 -0.219 0.000 0.769 590 D N -3.527 116.787 120.400 -0.142 0.000 2.391 590 D HA 0.191 nan 4.640 nan 0.000 0.245 590 D C -0.517 175.789 176.300 0.010 0.000 1.069 590 D CA -2.275 51.689 54.000 -0.060 0.000 0.831 590 D CB 2.582 43.392 40.800 0.016 0.000 1.204 590 D HN -0.523 7.667 8.370 -0.107 0.116 0.503 591 K N 6.319 126.654 120.400 -0.108 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.619 177.115 176.600 -0.174 0.000 1.050 591 K CA 1.933 58.134 56.287 -0.143 0.000 0.927 591 K CB 0.264 32.640 32.500 -0.207 0.000 0.714 591 K HN -0.081 8.076 8.250 -0.156 0.000 0.447 592 K N -2.329 117.914 120.400 -0.262 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.092 176.387 176.600 -0.202 0.000 1.010 592 K CA -0.478 55.575 56.287 -0.390 0.000 0.929 592 K CB 0.580 32.527 32.500 -0.922 0.000 0.998 592 K HN -0.619 7.766 8.250 -0.236 -0.276 0.479 593 A N 2.188 124.916 122.820 -0.152 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.131 177.382 177.584 -0.120 0.000 1.061 593 A CA 0.429 52.416 52.037 -0.083 0.000 0.758 593 A CB 0.481 19.516 19.000 0.059 0.000 0.991 593 A HN 0.438 8.485 8.150 -0.171 0.000 0.502 594 M N 3.464 122.836 119.600 -0.379 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.868 176.876 176.300 -0.487 0.000 1.653 594 M CA 1.958 56.786 55.300 -0.786 0.000 1.138 594 M CB -0.552 31.091 32.600 -1.595 0.000 1.995 594 M HN 0.425 8.477 8.290 -0.397 0.000 0.459 595 G N 1.410 110.179 108.800 -0.052 0.000 3.134 595 G HA2 -0.193 nan 3.960 nan 0.000 0.195 595 G HA3 -0.193 nan 3.960 nan 0.000 0.195 595 G C -0.672 174.411 174.900 0.304 0.000 1.054 595 G CA -0.534 44.755 45.100 0.315 0.000 0.828 595 G HN -0.048 8.231 8.290 -0.018 0.000 0.462 596 F N 5.393 125.359 119.950 0.028 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.788 173.845 175.800 -0.278 0.000 1.004 596 F CA -0.261 57.647 58.000 -0.154 0.000 1.177 596 F CB 0.837 39.735 39.000 -0.169 0.000 0.974 596 F HN -0.325 8.144 8.300 0.281 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.042 176.787 177.300 -0.924 0.000 1.151 597 P CA 2.008 64.095 63.100 -1.689 0.000 0.787 597 P CB 0.145 30.783 31.700 -1.769 0.000 0.788 598 F N -2.298 117.396 119.950 -0.426 0.000 2.757 598 F HA 0.045 nan 4.527 nan 0.000 0.292 598 F C -0.061 175.717 175.800 -0.036 0.000 1.204 598 F CA -0.955 56.836 58.000 -0.347 0.000 1.417 598 F CB -1.971 36.604 39.000 -0.709 0.000 1.001 598 F HN 0.132 7.798 8.300 -0.833 0.135 0.508 599 D N 0.299 120.811 120.400 0.188 0.000 2.137 599 D HA -0.158 nan 4.640 nan 0.000 0.202 599 D C 0.591 177.004 176.300 0.188 0.000 0.970 599 D CA 2.435 56.593 54.000 0.265 0.000 0.837 599 D CB 0.247 41.240 40.800 0.322 0.000 0.981 599 D HN -0.079 8.271 8.370 0.141 0.105 0.475 600 R N -1.418 119.170 120.500 0.147 0.000 2.602 600 R HA 0.170 nan 4.340 nan 0.000 0.237 600 R C -1.308 174.990 176.300 -0.004 0.000 1.219 600 R CA -1.102 55.012 56.100 0.023 0.000 1.121 600 R CB 1.697 31.914 30.300 -0.137 0.000 1.408 600 R HN -0.887 7.521 8.270 0.230 0.000 0.559 601 K N -0.304 120.073 120.400 -0.039 0.000 2.382 601 K HA -0.131 nan 4.320 nan 0.000 0.275 601 K C -0.156 176.431 176.600 -0.023 0.000 1.009 601 K CA 0.899 57.168 56.287 -0.029 0.000 0.970 601 K CB 0.179 32.659 32.500 -0.033 0.000 0.934 601 K HN 0.182 8.394 8.250 -0.064 0.000 0.479 602 I N 6.547 127.093 120.570 -0.041 0.000 2.410 602 I HA 0.014 nan 4.170 nan 0.000 0.286 602 I C -0.894 175.223 176.117 0.000 0.000 1.009 602 I CA -0.736 60.534 61.300 -0.049 0.000 1.111 602 I CB 1.068 38.934 38.000 -0.224 0.000 1.262 602 I HN 0.303 8.828 8.210 -0.039 -0.339 0.443 603 E N 6.249 126.476 120.200 0.045 0.000 2.358 603 E HA -0.130 nan 4.350 nan 0.000 0.195 603 E C -0.233 176.399 176.600 0.052 0.000 1.010 603 E CA 0.777 57.205 56.400 0.046 0.000 0.856 603 E CB 0.109 29.845 29.700 0.059 0.000 0.795 603 E HN 0.434 8.837 8.360 0.072 0.000 0.504 604 A N -1.860 121.005 122.820 0.075 0.000 2.371 604 A HA 0.125 nan 4.320 nan 0.000 0.257 604 A C 0.327 177.945 177.584 0.057 0.000 1.089 604 A CA 0.185 52.276 52.037 0.090 0.000 0.794 604 A CB 0.638 19.738 19.000 0.167 0.000 1.029 604 A HN -0.436 7.706 8.150 0.085 0.059 0.488 605 R N -0.837 119.694 120.500 0.053 0.000 2.210 605 R HA 0.021 nan 4.340 nan 0.000 0.203 605 R C 0.146 176.465 176.300 0.032 0.000 1.010 605 R CA 0.467 56.586 56.100 0.031 0.000 1.008 605 R CB 0.287 30.601 30.300 0.023 0.000 0.923 605 R HN -0.095 8.613 8.270 0.061 -0.401 0.469 606 T N -2.710 111.879 114.554 0.059 0.000 2.893 606 T HA 0.313 nan 4.350 nan 0.000 0.291 606 T C -0.607 174.173 174.700 0.134 0.000 1.028 606 T CA -1.795 60.342 62.100 0.061 0.000 0.995 606 T CB 2.771 71.660 68.868 0.034 0.000 1.051 606 T HN -0.791 7.705 8.240 0.078 -0.209 0.470 607 A N 7.779 130.686 122.820 0.144 0.000 2.093 607 A HA -0.240 nan 4.320 nan 0.000 0.222 607 A C 0.606 178.341 177.584 0.251 0.000 1.162 607 A CA 2.908 55.124 52.037 0.299 0.000 0.655 607 A CB -0.239 18.904 19.000 0.237 0.000 0.805 607 A HN 0.523 8.721 8.150 0.081 0.000 0.461 608 A N -2.425 120.460 122.820 0.108 0.000 1.929 608 A HA -0.204 nan 4.320 nan 0.000 0.216 608 A C 2.394 180.065 177.584 0.145 0.000 1.176 608 A CA 2.269 54.354 52.037 0.079 0.000 0.628 608 A CB 0.135 19.150 19.000 0.025 0.000 0.816 608 A HN -0.275 7.888 8.150 0.068 0.028 0.444 609 E N -0.121 120.180 120.200 0.169 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.759 178.506 176.600 0.245 0.000 0.988 609 E CA 2.352 58.855 56.400 0.172 0.000 0.811 609 E CB -0.136 29.659 29.700 0.158 0.000 0.746 609 E HN -0.412 7.932 8.360 0.160 0.112 0.466 610 F N -2.655 117.388 119.950 0.156 0.000 2.699 610 F HA -0.172 nan 4.527 nan 0.000 0.298 610 F C -0.544 175.385 175.800 0.214 0.000 1.154 610 F CA 0.594 58.705 58.000 0.185 0.000 1.457 610 F CB 0.755 39.914 39.000 0.264 0.000 1.106 610 F HN -0.921 7.640 8.300 0.464 0.018 0.585 611 L N 1.120 122.494 121.223 0.252 0.000 2.530 611 L HA -0.151 nan 4.340 nan 0.000 0.273 611 L C -0.910 175.979 176.870 0.030 0.000 1.141 611 L CA 0.134 55.078 54.840 0.174 0.000 0.905 611 L CB 0.317 42.454 42.059 0.130 0.000 1.202 611 L HN -0.708 7.486 8.230 0.261 0.193 0.473 612 T N 3.576 118.113 114.554 -0.028 0.000 2.918 612 T HA 0.484 nan 4.350 nan 0.000 0.283 612 T C -0.679 174.036 174.700 0.026 0.000 1.001 612 T CA -2.941 59.139 62.100 -0.035 0.000 1.041 612 T CB -0.089 68.722 68.868 -0.096 0.000 1.028 612 T HN -0.418 7.783 8.240 -0.065 0.000 0.511 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.992 176.347 177.300 0.064 0.000 1.172 613 P CA 1.543 64.667 63.100 0.040 0.000 0.759 613 P CB -0.404 31.308 31.700 0.019 0.000 0.843 614 N N -6.258 112.490 118.700 0.080 0.000 2.328 614 N HA 0.098 nan 4.740 nan 0.000 0.247 614 N C -1.803 173.776 175.510 0.114 0.000 1.165 614 N CA -1.021 52.105 53.050 0.127 0.000 0.873 614 N CB 0.132 38.746 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.056 0.074 0.513 615 M N -0.776 118.909 119.600 0.141 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.463 175.019 176.300 0.303 0.000 1.229 615 M CA -0.355 55.107 55.300 0.269 0.000 0.860 615 M CB 5.336 38.146 32.600 0.350 0.000 1.741 615 M HN -0.003 8.211 8.290 0.123 0.150 0.462 616 G N 0.206 109.245 108.800 0.399 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 -3.003 171.935 174.900 0.063 0.000 1.359 616 G CA 0.404 45.600 45.100 0.159 0.000 1.232 616 G HN 0.234 8.932 8.290 0.679 0.000 0.597 617 L N 3.380 124.464 121.223 -0.232 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 -0.037 0.000 1.065 617 L CA -0.408 54.282 54.840 -0.250 0.000 0.806 617 L CB 1.189 42.998 42.059 -0.418 0.000 1.175 617 L HN 0.264 8.349 8.230 -0.242 0.000 0.431 618 T N 6.330 120.921 114.554 0.062 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.304 173.445 174.700 0.080 0.000 1.033 618 T CA -0.661 61.488 62.100 0.082 0.000 0.991 618 T CB 0.903 69.859 68.868 0.147 0.000 0.981 618 T HN 0.449 8.642 8.240 0.115 0.116 0.457 619 D N 6.193 126.615 120.400 0.036 0.000 2.371 619 D HA 0.046 nan 4.640 nan 0.000 0.256 619 D C -0.730 175.603 176.300 0.055 0.000 1.193 619 D CA -0.165 53.853 54.000 0.031 0.000 0.881 619 D CB 0.275 41.062 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 -3.725 116.898 120.570 0.090 0.000 2.785 620 I HA 0.480 nan 4.170 nan 0.000 0.302 620 I C -1.454 174.732 176.117 0.115 0.000 1.069 620 I CA -2.878 58.468 61.300 0.077 0.000 1.045 620 I CB 3.391 41.421 38.000 0.049 0.000 1.236 620 I HN -0.437 7.843 8.210 0.117 0.000 0.429 621 K N 1.196 121.633 120.400 0.062 0.000 2.118 621 K HA 0.750 nan 4.320 nan 0.000 0.254 621 K C -1.008 175.583 176.600 -0.015 0.000 0.961 621 K CA -2.336 53.999 56.287 0.081 0.000 0.876 621 K CB 1.822 34.350 32.500 0.046 0.000 1.077 621 K HN 0.422 8.575 8.250 0.025 0.112 0.440 622 I N 1.110 121.678 120.570 -0.003 0.000 2.498 622 I HA 0.554 nan 4.170 nan 0.000 0.290 622 I C -2.070 174.045 176.117 -0.004 0.000 1.032 622 I CA -0.974 60.265 61.300 -0.102 0.000 1.073 622 I CB 2.973 40.797 38.000 -0.292 0.000 1.251 622 I HN 0.732 9.017 8.210 0.125 0.000 0.426 623 K N 3.406 123.803 120.400 -0.005 0.000 2.471 623 K HA 0.555 nan 4.320 nan 0.000 0.252 623 K C -1.598 175.063 176.600 0.102 0.000 0.938 623 K CA -2.368 53.939 56.287 0.034 0.000 0.796 623 K CB 3.044 35.525 32.500 -0.031 0.000 1.161 623 K HN 0.515 8.746 8.250 -0.032 0.000 0.425 624 F N 6.641 126.607 119.950 0.027 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.469 174.426 175.800 0.158 0.000 1.083 624 F CA -1.168 56.863 58.000 0.053 0.000 1.174 624 F CB 0.557 39.558 39.000 0.001 0.000 1.096 624 F HN 0.301 8.633 8.300 0.271 0.130 0.545 625 H N 10.810 129.513 119.070 -0.611 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.303 174.378 175.328 -1.079 0.000 1.102 625 H CA -0.007 55.697 56.048 -0.573 0.000 1.482 625 H CB -0.181 29.355 29.762 -0.377 0.000 1.542 625 H HN 0.167 8.135 8.280 -0.347 0.104 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 7.994 8.290 -0.493 0.000 0.925