REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ixv_1_L 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 0.000 174.647 174.700 -0.088 0.000 1.109 1 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 1 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 2 V N 2.642 122.496 119.914 -0.101 0.000 2.343 2 V HA -0.168 nan 4.120 nan 0.000 0.247 2 V C 1.167 177.185 176.094 -0.126 0.000 1.051 2 V CA 3.277 65.495 62.300 -0.138 0.000 1.036 2 V CB -0.316 31.430 31.823 -0.129 0.000 0.654 2 V HN 0.563 8.703 8.190 -0.084 0.000 0.451 3 A N -1.124 121.642 122.820 -0.089 0.000 1.902 3 A HA -0.345 nan 4.320 nan 0.000 0.217 3 A C 1.047 178.596 177.584 -0.059 0.000 1.181 3 A CA 3.364 55.357 52.037 -0.073 0.000 0.623 3 A CB -0.931 18.040 19.000 -0.049 0.000 0.818 3 A HN -0.070 8.034 8.150 -0.077 0.000 0.443 4 D N -2.341 118.031 120.400 -0.047 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.224 178.512 176.300 -0.021 0.000 0.987 4 D CA 3.196 57.184 54.000 -0.020 0.000 0.829 4 D CB -0.263 40.533 40.800 -0.007 0.000 0.961 4 D HN 0.023 8.234 8.370 -0.055 0.125 0.460 5 K N -0.252 120.098 120.400 -0.084 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.455 179.008 176.600 -0.077 0.000 1.049 5 K CA 3.034 59.237 56.287 -0.140 0.000 0.931 5 K CB -0.068 32.203 32.500 -0.383 0.000 0.714 5 K HN -0.546 7.541 8.250 -0.108 0.098 0.440 6 Q N -1.846 117.892 119.800 -0.103 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.448 178.422 176.000 -0.044 0.000 0.978 6 Q CA 2.942 58.686 55.803 -0.099 0.000 0.844 6 Q CB -0.255 28.400 28.738 -0.138 0.000 0.898 6 Q HN -0.015 8.079 8.270 -0.118 0.105 0.426 7 A N -1.128 121.683 122.820 -0.014 0.000 1.902 7 A HA -0.273 nan 4.320 nan 0.000 0.217 7 A C 1.269 178.901 177.584 0.079 0.000 1.181 7 A CA 2.709 54.762 52.037 0.027 0.000 0.623 7 A CB -0.709 18.315 19.000 0.041 0.000 0.818 7 A HN -0.254 7.792 8.150 -0.025 0.089 0.443 8 R N -3.158 117.410 120.500 0.113 0.000 2.096 8 R HA -0.256 nan 4.340 nan 0.000 0.235 8 R C 2.597 179.024 176.300 0.212 0.000 1.127 8 R CA 2.627 58.833 56.100 0.176 0.000 0.968 8 R CB 0.077 30.529 30.300 0.253 0.000 0.861 8 R HN -0.477 7.760 8.270 0.091 0.087 0.440 9 L N -1.038 120.326 121.223 0.234 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.667 179.721 176.870 0.307 0.000 1.083 9 L CA 2.976 57.998 54.840 0.304 0.000 0.752 9 L CB -0.402 41.836 42.059 0.298 0.000 0.899 9 L HN -0.220 8.046 8.230 0.189 0.078 0.433 10 M N -1.121 118.549 119.600 0.118 0.000 2.086 10 M HA -0.256 nan 4.480 nan 0.000 0.261 10 M C -0.754 175.716 176.300 0.284 0.000 1.067 10 M CA 5.818 61.123 55.300 0.009 0.000 1.116 10 M CB -2.373 30.011 32.600 -0.361 0.000 1.348 10 M HN -0.305 7.929 8.290 0.054 0.088 0.407 11 P HA -0.161 nan 4.420 nan 0.000 0.225 11 P C 0.492 177.903 177.300 0.184 0.000 1.148 11 P CA 2.324 65.573 63.100 0.249 0.000 0.779 11 P CB -0.817 30.994 31.700 0.186 0.000 0.780 12 L N -3.154 118.159 121.223 0.151 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.911 178.742 176.870 -0.066 0.000 1.083 12 L CA 2.664 57.507 54.840 0.004 0.000 0.752 12 L CB -0.281 41.736 42.059 -0.069 0.000 0.899 12 L HN -0.250 7.941 8.230 0.210 0.166 0.433 13 F N -4.819 115.274 119.950 0.237 0.000 2.558 13 F HA -0.219 nan 4.527 nan 0.000 0.298 13 F C 0.069 175.983 175.800 0.190 0.000 1.119 13 F CA 1.574 59.712 58.000 0.230 0.000 1.451 13 F CB -0.167 38.935 39.000 0.170 0.000 1.091 13 F HN -0.754 7.636 8.300 0.335 0.111 0.563 14 K N -2.109 118.495 120.400 0.339 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.124 176.613 176.600 0.228 0.000 1.005 14 K CA -0.379 56.077 56.287 0.283 0.000 0.932 14 K CB 0.576 33.305 32.500 0.380 0.000 1.021 14 K HN -0.996 7.258 8.250 0.313 0.184 0.462 15 H N -0.463 118.649 119.070 0.071 0.000 2.692 15 H HA -0.344 nan 4.556 nan 0.000 0.316 15 H C 0.754 176.085 175.328 0.005 0.000 1.176 15 H CA 1.058 57.126 56.048 0.033 0.000 1.142 15 H CB -1.904 27.879 29.762 0.035 0.000 1.475 15 H HN 0.841 9.035 8.280 -0.143 0.000 0.423 16 L N -2.516 118.745 121.223 0.063 0.000 2.083 16 L HA -0.328 nan 4.340 nan 0.000 0.209 16 L C 1.650 178.560 176.870 0.067 0.000 1.083 16 L CA 2.918 57.787 54.840 0.048 0.000 0.752 16 L CB -1.104 41.037 42.059 0.137 0.000 0.899 16 L HN 0.243 8.478 8.230 0.008 0.000 0.433 17 T N -0.978 113.635 114.554 0.100 0.000 2.708 17 T HA -0.311 nan 4.350 nan 0.000 0.266 17 T C 2.157 176.900 174.700 0.072 0.000 1.037 17 T CA 3.970 66.135 62.100 0.109 0.000 1.146 17 T CB -0.712 68.224 68.868 0.113 0.000 0.865 17 T HN 0.189 8.467 8.240 0.080 0.010 0.435 18 A N 1.241 124.110 122.820 0.082 0.000 1.969 18 A HA -0.093 nan 4.320 nan 0.000 0.218 18 A C 1.243 178.836 177.584 0.015 0.000 1.169 18 A CA 1.961 54.034 52.037 0.059 0.000 0.635 18 A CB -0.854 18.203 19.000 0.096 0.000 0.810 18 A HN -0.172 8.031 8.150 0.113 0.015 0.445 19 L N -3.356 117.868 121.223 0.001 0.000 2.349 19 L HA -0.210 nan 4.340 nan 0.000 0.220 19 L C 0.627 177.453 176.870 -0.073 0.000 1.130 19 L CA 1.241 56.045 54.840 -0.060 0.000 0.791 19 L CB -0.157 41.820 42.059 -0.136 0.000 0.918 19 L HN -0.312 7.796 8.230 0.030 0.140 0.444 20 T N -0.688 113.840 114.554 -0.043 0.000 2.905 20 T HA -0.196 nan 4.350 nan 0.000 0.400 20 T C -0.930 173.749 174.700 -0.036 0.000 1.098 20 T CA 0.219 62.296 62.100 -0.038 0.000 1.095 20 T CB 0.170 69.033 68.868 -0.009 0.000 1.281 20 T HN -0.818 7.364 8.240 -0.020 0.046 0.515 21 R N 1.245 121.730 120.500 -0.025 0.000 2.080 21 R HA -0.283 nan 4.340 nan 0.000 0.362 21 R C -1.054 175.223 176.300 -0.039 0.000 1.156 21 R CA 1.084 57.168 56.100 -0.027 0.000 0.964 21 R CB -0.303 29.982 30.300 -0.026 0.000 2.865 21 R HN 0.186 8.446 8.270 -0.016 0.000 0.490 22 E N 4.989 125.168 120.200 -0.035 0.000 2.051 22 E HA -0.257 nan 4.350 nan 0.000 0.192 22 E C -0.695 175.878 176.600 -0.045 0.000 0.991 22 E CA 1.054 57.428 56.400 -0.043 0.000 0.799 22 E CB -0.227 29.454 29.700 -0.032 0.000 0.748 22 E HN 0.196 8.540 8.360 -0.027 0.000 0.449 23 K N -3.464 116.916 120.400 -0.034 0.000 3.088 23 K HA -0.272 nan 4.320 nan 0.000 0.273 23 K C -1.677 174.905 176.600 -0.030 0.000 1.111 23 K CA 0.311 56.579 56.287 -0.032 0.000 0.803 23 K CB -1.268 31.209 32.500 -0.039 0.000 1.226 23 K HN -0.274 7.959 8.250 -0.028 0.000 0.485 24 L N -1.304 119.902 121.223 -0.027 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.516 175.345 176.870 -0.015 0.000 1.004 24 L CA -3.359 51.468 54.840 -0.023 0.000 0.820 24 L CB 1.020 43.063 42.059 -0.026 0.000 1.247 24 L HN -0.396 7.807 8.230 -0.026 0.012 0.416 25 P HA 0.026 nan 4.420 nan 0.000 0.217 25 P C -1.435 175.862 177.300 -0.005 0.000 1.151 25 P CA 1.313 64.409 63.100 -0.007 0.000 0.828 25 P CB 0.410 32.108 31.700 -0.004 0.000 0.788 26 L N -2.219 119.002 121.223 -0.004 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.594 176.274 176.870 -0.003 0.000 0.926 26 L CA -0.809 54.029 54.840 -0.003 0.000 0.885 26 L CB 2.580 44.639 42.059 -0.000 0.000 1.380 26 L HN -0.789 7.438 8.230 -0.005 0.000 0.415 27 D N 0.893 121.290 120.400 -0.004 0.000 2.277 27 D HA -0.213 nan 4.640 nan 0.000 0.208 27 D C 0.945 177.245 176.300 0.001 0.000 0.962 27 D CA 2.240 56.238 54.000 -0.003 0.000 0.865 27 D CB 0.043 40.840 40.800 -0.005 0.000 0.939 27 D HN 0.290 8.658 8.370 -0.004 0.000 0.510 28 Q N -0.749 119.051 119.800 0.001 0.000 2.135 28 Q HA -0.277 nan 4.340 nan 0.000 0.204 28 Q C 0.927 176.930 176.000 0.005 0.000 0.981 28 Q CA 1.888 57.693 55.803 0.003 0.000 0.856 28 Q CB -1.147 27.592 28.738 0.002 0.000 0.902 28 Q HN 0.116 8.359 8.270 0.000 0.027 0.425 29 R N -2.195 118.309 120.500 0.006 0.000 2.091 29 R HA -0.128 nan 4.340 nan 0.000 0.238 29 R C 0.012 176.320 176.300 0.013 0.000 1.136 29 R CA 1.813 57.919 56.100 0.009 0.000 0.959 29 R CB -0.330 29.978 30.300 0.014 0.000 0.856 29 R HN 0.062 8.335 8.270 0.005 -0.000 0.437 30 D N 0.383 120.791 120.400 0.013 0.000 2.470 30 D HA 0.096 nan 4.640 nan 0.000 0.226 30 D C -0.771 175.534 176.300 0.008 0.000 1.196 30 D CA 0.434 54.443 54.000 0.014 0.000 0.979 30 D CB -1.351 39.454 40.800 0.009 0.000 1.059 30 D HN -0.345 7.913 8.370 0.009 0.118 0.515 31 E N 2.881 123.087 120.200 0.009 0.000 2.106 31 E HA -0.317 nan 4.350 nan 0.000 0.192 31 E C 2.178 178.783 176.600 0.008 0.000 0.984 31 E CA 3.166 59.571 56.400 0.007 0.000 0.806 31 E CB 0.085 29.789 29.700 0.007 0.000 0.750 31 E HN -0.072 8.247 8.360 0.010 0.047 0.458 32 R N -0.777 119.729 120.500 0.009 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.330 178.633 176.300 0.005 0.000 1.131 32 R CA 2.701 58.806 56.100 0.010 0.000 0.960 32 R CB -0.497 29.810 30.300 0.011 0.000 0.856 32 R HN 0.255 8.515 8.270 0.011 0.017 0.436 33 L N -4.333 116.891 121.223 0.001 0.000 2.465 33 L HA -0.152 nan 4.340 nan 0.000 0.224 33 L C 1.095 177.964 176.870 -0.001 0.000 1.145 33 L CA 1.819 56.656 54.840 -0.004 0.000 0.834 33 L CB -1.163 40.889 42.059 -0.010 0.000 0.944 33 L HN -0.073 8.021 8.230 0.004 0.139 0.451 34 K N 0.048 120.449 120.400 0.002 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.792 178.394 176.600 0.003 0.000 1.048 34 K CA 2.795 59.084 56.287 0.003 0.000 0.926 34 K CB -1.171 31.331 32.500 0.004 0.000 0.713 34 K HN -0.243 7.821 8.250 0.003 0.189 0.444 35 G N -1.513 107.290 108.800 0.005 0.000 2.432 35 G HA2 -0.183 nan 3.960 nan 0.000 0.219 35 G HA3 -0.183 nan 3.960 nan 0.000 0.219 35 G C -0.939 173.964 174.900 0.005 0.000 1.135 35 G CA 0.501 45.605 45.100 0.006 0.000 0.767 35 G HN 0.052 8.320 8.290 0.005 0.025 0.550 36 V N -1.619 118.296 119.914 0.002 0.000 3.093 36 V HA 0.245 nan 4.120 nan 0.000 0.320 36 V C -0.580 175.517 176.094 0.005 0.000 1.093 36 V CA -1.370 60.932 62.300 0.003 0.000 1.016 36 V CB 1.402 33.223 31.823 -0.003 0.000 1.096 36 V HN -0.580 7.567 8.190 0.001 0.043 0.452 37 G N 2.301 111.109 108.800 0.013 0.000 2.154 37 G HA2 -0.310 nan 3.960 nan 0.000 0.186 37 G HA3 -0.310 nan 3.960 nan 0.000 0.186 37 G C 0.004 174.914 174.900 0.016 0.000 1.000 37 G CA 0.494 45.602 45.100 0.014 0.000 0.664 37 G HN 0.419 8.721 8.290 0.019 0.000 0.513 38 I N -4.035 116.544 120.570 0.015 0.000 2.233 38 I HA 0.032 nan 4.170 nan 0.000 0.243 38 I C -0.012 176.114 176.117 0.015 0.000 1.093 38 I CA 1.126 62.430 61.300 0.007 0.000 1.380 38 I CB 0.290 38.285 38.000 -0.009 0.000 1.067 38 I HN -0.301 7.918 8.210 0.015 0.000 0.413 39 L N 2.698 123.943 121.223 0.037 0.000 2.410 39 L HA 0.321 nan 4.340 nan 0.000 0.273 39 L C -2.388 174.531 176.870 0.081 0.000 1.152 39 L CA -2.217 52.665 54.840 0.070 0.000 0.855 39 L CB 0.049 42.207 42.059 0.164 0.000 1.129 39 L HN -0.731 7.754 8.230 0.046 -0.228 0.463 40 P HA 0.183 nan 4.420 nan 0.000 0.274 40 P C 0.124 177.475 177.300 0.085 0.000 1.237 40 P CA -0.340 62.800 63.100 0.068 0.000 0.793 40 P CB 0.615 32.350 31.700 0.059 0.000 0.977 41 R N 3.253 123.792 120.500 0.065 0.000 2.088 41 R HA -0.329 nan 4.340 nan 0.000 0.232 41 R C 2.536 178.887 176.300 0.085 0.000 1.136 41 R CA 3.491 59.632 56.100 0.069 0.000 0.926 41 R CB -0.885 29.442 30.300 0.044 0.000 0.837 41 R HN 0.542 8.841 8.270 0.049 0.000 0.429 42 G N -1.478 107.365 108.800 0.071 0.000 2.432 42 G HA2 -0.182 nan 3.960 nan 0.000 0.219 42 G HA3 -0.182 nan 3.960 nan 0.000 0.219 42 G C -0.045 174.902 174.900 0.077 0.000 1.135 42 G CA 0.543 45.684 45.100 0.068 0.000 0.767 42 G HN 0.320 8.647 8.290 0.060 0.000 0.550 43 T N -0.828 113.782 114.554 0.093 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.268 174.503 174.700 0.118 0.000 1.088 43 T CA -0.351 61.813 62.100 0.105 0.000 1.120 43 T CB 0.863 69.812 68.868 0.135 0.000 1.000 43 T HN -0.874 7.372 8.240 0.096 0.051 0.550 44 L N 0.580 121.854 121.223 0.086 0.000 2.397 44 L HA 0.169 nan 4.340 nan 0.000 0.271 44 L C 0.090 177.012 176.870 0.087 0.000 1.148 44 L CA -0.147 54.738 54.840 0.075 0.000 0.825 44 L CB 0.487 42.557 42.059 0.019 0.000 1.117 44 L HN 0.077 8.351 8.230 0.073 0.000 0.456 45 F N 3.563 123.498 119.950 -0.025 0.000 2.404 45 F HA 0.065 nan 4.527 nan 0.000 0.339 45 F C -1.102 174.578 175.800 -0.201 0.000 1.105 45 F CA -0.993 56.951 58.000 -0.093 0.000 1.087 45 F CB 2.326 41.355 39.000 0.049 0.000 1.143 45 F HN -0.137 8.325 8.300 0.271 0.000 0.491 46 S N 5.609 120.492 115.700 -1.361 0.000 2.437 46 S HA 0.159 nan 4.470 nan 0.000 0.305 46 S C 0.154 174.162 174.600 -0.987 0.000 1.109 46 S CA -1.356 56.327 58.200 -0.861 0.000 1.099 46 S CB 1.506 64.309 63.200 -0.661 0.000 1.004 46 S HN -0.126 6.854 8.310 -2.217 0.000 0.475 47 C N 7.008 125.980 119.300 -0.546 0.000 2.450 47 C HA 0.065 nan 4.460 nan 0.000 0.279 47 C C 0.666 175.185 174.990 -0.785 0.000 1.335 47 C CA 1.474 60.129 59.018 -0.604 0.000 1.749 47 C CB -0.318 26.999 27.740 -0.705 0.000 1.963 47 C HN 0.152 8.185 8.230 -0.330 0.000 0.501 48 F N -4.793 115.019 119.950 -0.231 0.000 2.219 48 F HA -0.074 nan 4.527 nan 0.000 0.294 48 F C -0.068 175.557 175.800 -0.291 0.000 1.086 48 F CA 1.738 59.610 58.000 -0.213 0.000 1.330 48 F CB 0.095 38.990 39.000 -0.175 0.000 1.047 48 F HN -0.930 7.133 8.300 -0.351 0.026 0.495 49 H N 0.334 119.277 119.070 -0.211 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.648 175.845 175.328 -0.219 0.000 1.068 49 H CA 0.226 56.118 56.048 -0.259 0.000 1.426 49 H CB 2.033 31.795 29.762 0.001 0.000 1.410 49 H HN -0.701 7.549 8.280 -0.050 0.000 0.597 50 A N 6.841 129.284 122.820 -0.628 0.000 1.877 50 A HA -0.294 nan 4.320 nan 0.000 0.216 50 A C 1.630 179.201 177.584 -0.022 0.000 1.186 50 A CA 3.595 55.456 52.037 -0.292 0.000 0.620 50 A CB -0.089 18.738 19.000 -0.288 0.000 0.822 50 A HN 0.707 8.072 8.150 -1.307 0.000 0.443 51 R N -2.338 118.281 120.500 0.199 0.000 2.096 51 R HA -0.338 nan 4.340 nan 0.000 0.235 51 R C 2.369 178.678 176.300 0.014 0.000 1.127 51 R CA 3.037 59.208 56.100 0.119 0.000 0.968 51 R CB -0.905 29.444 30.300 0.082 0.000 0.861 51 R HN -0.549 7.894 8.270 0.289 0.000 0.440 52 H N -0.054 119.053 119.070 0.063 0.000 2.353 52 H HA -0.171 nan 4.556 nan 0.000 0.300 52 H C 2.583 177.931 175.328 0.033 0.000 1.090 52 H CA 3.761 59.774 56.048 -0.059 0.000 1.327 52 H CB 0.110 29.551 29.762 -0.535 0.000 1.383 52 H HN -0.640 7.804 8.280 0.307 0.021 0.508 53 L N -1.325 119.944 121.223 0.077 0.000 2.083 53 L HA -0.368 nan 4.340 nan 0.000 0.209 53 L C 1.899 178.822 176.870 0.088 0.000 1.083 53 L CA 2.768 57.642 54.840 0.058 0.000 0.752 53 L CB -0.632 41.414 42.059 -0.022 0.000 0.899 53 L HN -0.201 7.959 8.230 0.048 0.099 0.433 54 A N -0.900 121.958 122.820 0.063 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.099 179.717 177.584 0.058 0.000 1.181 54 A CA 3.362 55.432 52.037 0.056 0.000 0.623 54 A CB -1.110 17.911 19.000 0.036 0.000 0.818 54 A HN 0.299 8.386 8.150 0.049 0.093 0.443 55 E N -1.289 118.949 120.200 0.063 0.000 2.077 55 E HA -0.404 nan 4.350 nan 0.000 0.193 55 E C 2.361 178.960 176.600 -0.000 0.000 0.989 55 E CA 2.843 59.270 56.400 0.046 0.000 0.800 55 E CB -0.100 29.649 29.700 0.082 0.000 0.746 55 E HN -0.477 7.927 8.360 0.073 0.000 0.452 56 A N -1.335 121.491 122.820 0.009 0.000 1.902 56 A HA -0.260 nan 4.320 nan 0.000 0.217 56 A C 2.070 179.410 177.584 -0.406 0.000 1.181 56 A CA 3.365 55.252 52.037 -0.250 0.000 0.623 56 A CB -0.866 18.003 19.000 -0.219 0.000 0.818 56 A HN -0.061 8.088 8.150 0.126 0.077 0.443 57 T N -0.233 114.372 114.554 0.085 0.000 2.746 57 T HA -0.310 nan 4.350 nan 0.000 0.267 57 T C 1.765 176.598 174.700 0.222 0.000 1.039 57 T CA 4.520 66.869 62.100 0.416 0.000 1.142 57 T CB -0.478 68.550 68.868 0.267 0.000 0.866 57 T HN 0.123 8.352 8.240 0.117 0.081 0.444 58 E N 1.631 121.872 120.200 0.067 0.000 2.077 58 E HA -0.272 nan 4.350 nan 0.000 0.193 58 E C 1.942 178.555 176.600 0.021 0.000 0.989 58 E CA 2.818 59.244 56.400 0.044 0.000 0.800 58 E CB -0.573 29.138 29.700 0.018 0.000 0.746 58 E HN -0.353 7.948 8.360 0.046 0.087 0.452 59 L N -1.334 119.845 121.223 -0.074 0.000 2.046 59 L HA -0.391 nan 4.340 nan 0.000 0.208 59 L C 2.309 179.154 176.870 -0.041 0.000 1.077 59 L CA 3.207 57.984 54.840 -0.106 0.000 0.747 59 L CB -0.264 41.665 42.059 -0.216 0.000 0.896 59 L HN -0.206 7.852 8.230 -0.123 0.098 0.432 60 Y N -3.096 117.261 120.300 0.095 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.290 178.356 175.900 0.277 0.000 1.146 60 Y CA 4.161 62.376 58.100 0.192 0.000 1.164 60 Y CB -1.169 37.496 38.460 0.341 0.000 0.982 60 Y HN -0.282 7.765 8.280 -0.236 0.091 0.515 61 V N -4.384 115.757 119.914 0.379 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.576 177.797 176.094 0.211 0.000 1.055 61 V CA 3.564 66.024 62.300 0.267 0.000 1.038 61 V CB -1.617 30.276 31.823 0.116 0.000 0.651 61 V HN 0.115 8.493 8.190 0.324 0.006 0.450 62 A N 0.288 123.183 122.820 0.125 0.000 1.902 62 A HA -0.278 nan 4.320 nan 0.000 0.217 62 A C 1.912 179.535 177.584 0.065 0.000 1.181 62 A CA 3.067 55.144 52.037 0.068 0.000 0.623 62 A CB -0.908 18.101 19.000 0.014 0.000 0.818 62 A HN -0.584 7.529 8.150 0.110 0.103 0.443 63 L N -2.355 118.898 121.223 0.051 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.228 179.146 176.870 0.080 0.000 1.077 63 L CA 3.179 58.028 54.840 0.015 0.000 0.747 63 L CB -0.691 41.364 42.059 -0.008 0.000 0.896 63 L HN -0.477 7.708 8.230 0.072 0.088 0.432 64 Y N -2.663 117.743 120.300 0.177 0.000 2.181 64 Y HA -0.413 nan 4.550 nan 0.000 0.288 64 Y C 2.920 178.880 175.900 0.101 0.000 1.146 64 Y CA 3.353 61.532 58.100 0.133 0.000 1.164 64 Y CB -0.441 38.050 38.460 0.053 0.000 0.982 64 Y HN 0.329 8.589 8.280 0.278 0.187 0.515 65 G N -2.459 106.474 108.800 0.221 0.000 2.448 65 G HA2 -0.314 nan 3.960 nan 0.000 0.219 65 G HA3 -0.314 nan 3.960 nan 0.000 0.219 65 G C -0.442 174.525 174.900 0.111 0.000 1.127 65 G CA 0.184 45.365 45.100 0.135 0.000 0.766 65 G HN -0.051 8.167 8.290 0.226 0.208 0.552 66 A N 1.003 123.893 122.820 0.117 0.000 2.580 66 A HA -0.169 nan 4.320 nan 0.000 0.244 66 A C -0.186 177.461 177.584 0.105 0.000 1.045 66 A CA 0.122 52.221 52.037 0.104 0.000 0.761 66 A CB 0.094 19.179 19.000 0.142 0.000 0.962 66 A HN -0.640 7.435 8.150 0.130 0.152 0.512 67 K N 3.481 123.928 120.400 0.078 0.000 2.026 67 K HA -0.259 nan 4.320 nan 0.000 0.208 67 K C -0.703 175.948 176.600 0.085 0.000 1.048 67 K CA 2.329 58.658 56.287 0.071 0.000 0.929 67 K CB 0.379 32.909 32.500 0.049 0.000 0.713 67 K HN 0.348 8.807 8.250 0.063 -0.171 0.439 68 D N -5.423 115.034 120.400 0.096 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.264 176.133 176.300 0.162 0.000 1.130 68 D CA -1.700 52.375 54.000 0.124 0.000 1.031 68 D CB 0.780 41.645 40.800 0.110 0.000 1.451 68 D HN -0.526 7.896 8.370 0.087 0.000 0.505 69 F N -0.035 119.956 119.950 0.068 0.000 2.134 69 F HA -0.284 nan 4.527 nan 0.000 0.299 69 F C 0.692 176.595 175.800 0.171 0.000 1.097 69 F CA 3.738 61.787 58.000 0.081 0.000 1.264 69 F CB 0.377 39.379 39.000 0.002 0.000 1.001 69 F HN 0.115 8.566 8.300 0.294 0.025 0.479 70 N N -2.253 116.566 118.700 0.199 0.000 2.120 70 N HA -0.323 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.983 175.510 0.057 0.000 1.024 70 N CA 3.285 56.412 53.050 0.128 0.000 0.852 70 N CB -1.250 37.308 38.487 0.119 0.000 1.003 70 N HN 0.074 8.578 8.380 0.231 0.015 0.424 71 D N 0.458 120.893 120.400 0.057 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.768 178.081 176.300 0.022 0.000 0.984 71 D CA 2.646 56.672 54.000 0.043 0.000 0.834 71 D CB -0.146 40.679 40.800 0.041 0.000 0.955 71 D HN -0.049 8.543 8.370 0.079 -0.174 0.465 72 F N 1.576 121.411 119.950 -0.192 0.000 2.102 72 F HA -0.337 nan 4.527 nan 0.000 0.298 72 F C 1.699 177.317 175.800 -0.303 0.000 1.105 72 F CA 3.401 61.224 58.000 -0.295 0.000 1.239 72 F CB 0.292 38.967 39.000 -0.541 0.000 0.991 72 F HN -0.178 8.091 8.300 0.084 0.081 0.474 73 I N -2.202 118.250 120.570 -0.197 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.950 177.975 176.117 -0.154 0.000 1.100 73 I CA 2.591 63.791 61.300 -0.167 0.000 1.374 73 I CB -1.740 36.247 38.000 -0.022 0.000 1.057 73 I HN 0.206 8.232 8.210 -0.173 0.080 0.413 74 H N 1.466 120.450 119.070 -0.145 0.000 2.293 74 H HA -0.311 nan 4.556 nan 0.000 0.300 74 H C 2.271 177.515 175.328 -0.140 0.000 1.082 74 H CA 4.545 60.529 56.048 -0.107 0.000 1.308 74 H CB 0.342 30.064 29.762 -0.066 0.000 1.375 74 H HN -0.359 7.865 8.280 0.051 0.086 0.495 75 L N -1.542 119.631 121.223 -0.083 0.000 2.083 75 L HA -0.286 nan 4.340 nan 0.000 0.209 75 L C 1.639 178.369 176.870 -0.234 0.000 1.083 75 L CA 3.111 57.869 54.840 -0.135 0.000 0.752 75 L CB -0.699 41.298 42.059 -0.103 0.000 0.899 75 L HN -0.097 8.106 8.230 -0.044 0.000 0.433 76 C N -0.229 118.866 119.300 -0.342 0.000 2.413 76 C HA -0.487 nan 4.460 nan 0.000 0.276 76 C C 1.667 176.559 174.990 -0.163 0.000 1.236 76 C CA 4.159 63.022 59.018 -0.258 0.000 1.735 76 C CB -1.977 25.495 27.740 -0.447 0.000 2.031 76 C HN -0.184 7.768 8.230 -0.437 0.015 0.474 77 E N -0.569 119.489 120.200 -0.236 0.000 2.085 77 E HA -0.505 nan 4.350 nan 0.000 0.194 77 E C 2.411 178.851 176.600 -0.267 0.000 0.994 77 E CA 3.214 59.471 56.400 -0.238 0.000 0.801 77 E CB -0.289 29.270 29.700 -0.236 0.000 0.743 77 E HN 0.149 8.159 8.360 -0.268 0.189 0.453 78 Q N -0.855 118.757 119.800 -0.313 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.716 178.611 176.000 -0.175 0.000 0.969 78 Q CA 2.670 58.321 55.803 -0.252 0.000 0.838 78 Q CB 0.108 28.689 28.738 -0.262 0.000 0.900 78 Q HN -0.248 7.718 8.270 -0.388 0.071 0.436 79 A N 0.782 123.516 122.820 -0.143 0.000 1.933 79 A HA -0.279 nan 4.320 nan 0.000 0.218 79 A C 1.486 179.001 177.584 -0.115 0.000 1.175 79 A CA 2.992 54.982 52.037 -0.079 0.000 0.628 79 A CB -0.871 18.123 19.000 -0.010 0.000 0.814 79 A HN 0.628 8.490 8.150 -0.159 0.193 0.444 80 R N -2.984 117.354 120.500 -0.270 0.000 2.152 80 R HA -0.364 nan 4.340 nan 0.000 0.232 80 R C 1.582 177.665 176.300 -0.362 0.000 1.117 80 R CA 3.043 58.768 56.100 -0.625 0.000 0.981 80 R CB -0.133 29.471 30.300 -1.160 0.000 0.870 80 R HN -0.182 7.925 8.270 -0.242 0.018 0.451 81 Q N -2.882 116.776 119.800 -0.236 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.486 177.421 176.000 -0.108 0.000 0.980 81 Q CA 2.373 58.081 55.803 -0.160 0.000 0.840 81 Q CB 0.140 28.804 28.738 -0.124 0.000 0.898 81 Q HN -0.612 7.373 8.270 -0.222 0.152 0.424 82 I N -3.663 116.856 120.570 -0.084 0.000 2.339 82 I HA -0.142 nan 4.170 nan 0.000 0.245 82 I C 0.229 176.332 176.117 -0.024 0.000 1.096 82 I CA 0.999 62.272 61.300 -0.045 0.000 1.408 82 I CB 1.390 39.371 38.000 -0.032 0.000 1.092 82 I HN -0.716 7.437 8.210 -0.095 0.000 0.423 83 V N -4.430 115.473 119.914 -0.019 0.000 3.185 83 V HA 0.061 nan 4.120 nan 0.000 0.305 83 V C -1.042 175.076 176.094 0.040 0.000 1.090 83 V CA -1.879 60.435 62.300 0.022 0.000 1.107 83 V CB -0.065 31.787 31.823 0.047 0.000 1.061 83 V HN -0.456 7.710 8.190 -0.040 0.000 0.480 84 N N 0.807 119.552 118.700 0.075 0.000 2.454 84 N HA -0.175 nan 4.740 nan 0.000 0.254 84 N C 1.281 176.859 175.510 0.113 0.000 1.228 84 N CA 0.203 53.315 53.050 0.103 0.000 0.900 84 N CB 1.116 39.702 38.487 0.164 0.000 1.089 84 N HN -0.058 8.370 8.380 0.081 0.000 0.449 85 E N 3.150 123.430 120.200 0.133 0.000 2.106 85 E HA -0.322 nan 4.350 nan 0.000 0.192 85 E C 1.738 178.497 176.600 0.265 0.000 0.984 85 E CA 3.008 59.526 56.400 0.196 0.000 0.806 85 E CB -0.870 28.958 29.700 0.213 0.000 0.750 85 E HN 0.245 8.680 8.360 0.126 0.000 0.458 86 G N -0.308 108.598 108.800 0.176 0.000 2.418 86 G HA2 -0.305 nan 3.960 nan 0.000 0.217 86 G HA3 -0.305 nan 3.960 nan 0.000 0.217 86 G C 1.129 175.949 174.900 -0.133 0.000 1.158 86 G CA 1.585 46.760 45.100 0.124 0.000 0.771 86 G HN -0.320 8.126 8.290 0.169 -0.055 0.545 87 M N 2.711 122.052 119.600 -0.431 0.000 2.117 87 M HA -0.356 nan 4.480 nan 0.000 0.262 87 M C 0.868 177.003 176.300 -0.275 0.000 1.065 87 M CA 3.303 58.104 55.300 -0.831 0.000 1.114 87 M CB 0.061 32.375 32.600 -0.476 0.000 1.361 87 M HN 0.098 8.629 8.290 -0.162 -0.338 0.408 88 F N -0.590 119.272 119.950 -0.146 0.000 2.102 88 F HA -0.405 nan 4.527 nan 0.000 0.298 88 F C 1.112 176.933 175.800 0.035 0.000 1.105 88 F CA 4.207 62.165 58.000 -0.069 0.000 1.239 88 F CB -0.082 38.889 39.000 -0.048 0.000 0.991 88 F HN -0.369 7.925 8.300 0.144 0.093 0.474 89 V N -0.280 119.755 119.914 0.201 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.022 177.271 176.094 0.257 0.000 1.055 89 V CA 4.027 66.501 62.300 0.291 0.000 1.049 89 V CB -1.000 31.203 31.823 0.634 0.000 0.662 89 V HN 0.033 8.460 8.190 0.394 0.000 0.455 90 Y N 0.538 120.896 120.300 0.096 0.000 2.145 90 Y HA -0.475 nan 4.550 nan 0.000 0.286 90 Y C 1.341 177.251 175.900 0.017 0.000 1.145 90 Y CA 3.771 61.897 58.100 0.044 0.000 1.148 90 Y CB -0.317 38.030 38.460 -0.188 0.000 0.981 90 Y HN -0.427 7.876 8.280 0.208 0.102 0.507 91 A N -1.692 121.141 122.820 0.023 0.000 1.898 91 A HA -0.365 nan 4.320 nan 0.000 0.216 91 A C 2.124 179.725 177.584 0.029 0.000 1.181 91 A CA 3.138 55.066 52.037 -0.182 0.000 0.620 91 A CB -0.648 18.087 19.000 -0.443 0.000 0.819 91 A HN 0.191 8.273 8.150 -0.114 0.000 0.442 92 V N -4.387 115.396 119.914 -0.217 0.000 2.358 92 V HA -0.373 nan 4.120 nan 0.000 0.246 92 V C 1.849 178.056 176.094 0.188 0.000 1.047 92 V CA 3.893 66.106 62.300 -0.145 0.000 1.035 92 V CB -1.322 30.164 31.823 -0.561 0.000 0.658 92 V HN 0.149 8.078 8.190 -0.435 0.000 0.452 93 S N 0.308 116.162 115.700 0.258 0.000 2.382 93 S HA -0.269 nan 4.470 nan 0.000 0.228 93 S C 2.019 176.773 174.600 0.256 0.000 1.027 93 S CA 3.523 61.904 58.200 0.303 0.000 0.991 93 S CB -0.440 62.940 63.200 0.300 0.000 0.823 93 S HN -0.290 8.140 8.310 0.200 0.000 0.469 94 V N 1.366 121.484 119.914 0.340 0.000 2.343 94 V HA -0.380 nan 4.120 nan 0.000 0.247 94 V C 1.861 178.256 176.094 0.501 0.000 1.051 94 V CA 4.045 66.626 62.300 0.468 0.000 1.036 94 V CB -1.048 31.131 31.823 0.594 0.000 0.654 94 V HN -0.430 7.979 8.190 0.366 0.000 0.451 95 A N -0.616 122.385 122.820 0.302 0.000 1.902 95 A HA -0.289 nan 4.320 nan 0.000 0.217 95 A C 1.851 179.431 177.584 -0.007 0.000 1.181 95 A CA 3.596 55.593 52.037 -0.066 0.000 0.623 95 A CB -0.838 18.197 19.000 0.057 0.000 0.818 95 A HN -0.227 8.052 8.150 0.339 0.075 0.443 96 V N -0.373 119.596 119.914 0.092 0.000 2.407 96 V HA -0.397 nan 4.120 nan 0.000 0.248 96 V C 1.332 177.427 176.094 0.002 0.000 1.055 96 V CA 3.758 66.074 62.300 0.026 0.000 1.049 96 V CB -0.828 31.065 31.823 0.117 0.000 0.662 96 V HN 0.020 8.245 8.190 0.189 0.079 0.455 97 L N -2.268 118.970 121.223 0.024 0.000 2.005 97 L HA -0.371 nan 4.340 nan 0.000 0.207 97 L C 1.802 178.540 176.870 -0.220 0.000 1.072 97 L CA 3.200 57.952 54.840 -0.147 0.000 0.744 97 L CB 0.164 42.059 42.059 -0.274 0.000 0.895 97 L HN -0.302 7.910 8.230 0.109 0.083 0.433 98 H N -4.774 114.408 119.070 0.186 0.000 2.384 98 H HA 0.012 nan 4.556 nan 0.000 0.300 98 H C 1.139 176.609 175.328 0.236 0.000 1.057 98 H CA 2.551 58.762 56.048 0.272 0.000 1.370 98 H CB 0.674 30.753 29.762 0.529 0.000 1.417 98 H HN -0.492 7.989 8.280 0.334 0.000 0.527 99 R N 1.140 121.799 120.500 0.265 0.000 2.351 99 R HA -0.119 nan 4.340 nan 0.000 0.318 99 R C 0.697 177.032 176.300 0.058 0.000 1.055 99 R CA -0.005 56.181 56.100 0.144 0.000 0.968 99 R CB 0.166 30.422 30.300 -0.073 0.000 0.974 99 R HN 0.039 8.401 8.270 0.154 0.000 0.439 100 E N 5.291 125.540 120.200 0.081 0.000 2.097 100 E HA -0.396 nan 4.350 nan 0.000 0.196 100 E C 1.192 177.791 176.600 -0.003 0.000 1.000 100 E CA 3.535 59.959 56.400 0.040 0.000 0.804 100 E CB -0.572 29.159 29.700 0.051 0.000 0.740 100 E HN 0.435 8.870 8.360 0.126 0.000 0.454 101 D N -0.394 120.019 120.400 0.021 0.000 2.133 101 D HA -0.228 nan 4.640 nan 0.000 0.195 101 D C 1.664 177.893 176.300 -0.118 0.000 0.997 101 D CA 2.799 56.811 54.000 0.020 0.000 0.840 101 D CB -0.486 40.428 40.800 0.190 0.000 0.947 101 D HN 0.001 8.384 8.370 0.051 0.017 0.452 102 C N -0.380 118.864 119.300 -0.094 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.506 175.398 174.990 -0.163 0.000 1.356 102 C CA -1.067 57.837 59.018 -0.190 0.000 1.531 102 C CB -2.485 25.188 27.740 -0.112 0.000 1.613 102 C HN -0.142 7.985 8.230 -0.029 0.085 0.597 103 K N 3.818 124.132 120.400 -0.143 0.000 3.256 103 K HA -0.142 nan 4.320 nan 0.000 0.285 103 K C -0.561 175.946 176.600 -0.155 0.000 1.086 103 K CA -0.184 56.032 56.287 -0.118 0.000 1.125 103 K CB -2.627 29.822 32.500 -0.086 0.000 1.292 103 K HN 0.058 8.057 8.250 -0.129 0.174 0.312 104 G N -2.151 106.534 108.800 -0.191 0.000 3.941 104 G HA2 0.082 nan 3.960 nan 0.000 0.222 104 G HA3 0.082 nan 3.960 nan 0.000 0.222 104 G C -1.498 173.265 174.900 -0.229 0.000 1.118 104 G CA 0.210 45.179 45.100 -0.218 0.000 0.880 104 G HN 0.069 8.189 8.290 -0.181 0.062 0.546 105 I N 0.615 121.047 120.570 -0.229 0.000 2.651 105 I HA 0.094 nan 4.170 nan 0.000 0.287 105 I C -1.733 174.222 176.117 -0.271 0.000 1.244 105 I CA -0.829 60.323 61.300 -0.246 0.000 1.061 105 I CB 2.680 40.560 38.000 -0.200 0.000 1.286 105 I HN -0.618 7.473 8.210 -0.197 0.000 0.434 106 T N 5.599 119.920 114.554 -0.389 0.000 2.847 106 T HA 0.168 nan 4.350 nan 0.000 0.279 106 T C -1.191 173.349 174.700 -0.266 0.000 0.984 106 T CA -0.835 61.032 62.100 -0.389 0.000 0.988 106 T CB 1.046 69.582 68.868 -0.553 0.000 1.040 106 T HN 0.069 8.250 8.240 -0.369 -0.163 0.528 107 V N 2.358 122.127 119.914 -0.243 0.000 2.630 107 V HA 0.332 nan 4.120 nan 0.000 0.305 107 V C -1.897 173.907 176.094 -0.483 0.000 1.046 107 V CA -3.446 58.622 62.300 -0.387 0.000 0.934 107 V CB 0.535 32.196 31.823 -0.271 0.000 1.003 107 V HN 0.426 8.510 8.190 -0.176 0.000 0.451 108 P HA 0.256 nan 4.420 nan 0.000 0.269 108 P C -2.622 174.498 177.300 -0.301 0.000 1.215 108 P CA -1.292 61.471 63.100 -0.561 0.000 0.780 108 P CB -0.145 31.198 31.700 -0.594 0.000 0.898 109 P HA 0.031 nan 4.420 nan 0.000 0.268 109 P C 0.443 177.687 177.300 -0.094 0.000 1.204 109 P CA -0.303 62.752 63.100 -0.074 0.000 0.768 109 P CB 0.454 32.117 31.700 -0.061 0.000 0.842 110 I N -0.712 119.802 120.570 -0.094 0.000 2.252 110 I HA -0.458 nan 4.170 nan 0.000 0.245 110 I C 1.325 177.371 176.117 -0.119 0.000 1.102 110 I CA 3.929 65.149 61.300 -0.133 0.000 1.385 110 I CB -0.130 37.681 38.000 -0.315 0.000 1.064 110 I HN 0.320 8.528 8.210 -0.003 0.000 0.414 111 Q N 0.719 120.169 119.800 -0.582 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.301 177.049 176.000 -0.420 0.000 0.978 111 Q CA 3.616 58.616 55.803 -1.338 0.000 0.844 111 Q CB -1.170 26.723 28.738 -1.409 0.000 0.898 111 Q HN 0.299 8.289 8.270 -0.467 0.000 0.426 112 E N -2.765 117.298 120.200 -0.228 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.816 178.388 176.600 -0.047 0.000 0.982 112 E CA 2.271 58.626 56.400 -0.075 0.000 0.809 112 E CB -0.036 29.654 29.700 -0.016 0.000 0.756 112 E HN 0.014 8.136 8.360 -0.234 0.098 0.459 113 V N -4.672 115.194 119.914 -0.079 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.658 176.475 176.094 -0.461 0.000 1.045 113 V CA 2.226 64.385 62.300 -0.236 0.000 1.024 113 V CB 0.084 31.746 31.823 -0.267 0.000 0.651 113 V HN -0.128 7.806 8.190 -0.074 0.211 0.449 114 F N -1.239 118.766 119.950 0.092 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.120 174.828 175.800 0.248 0.000 1.180 114 F CA -3.082 55.006 58.000 0.147 0.000 1.209 114 F CB 0.437 39.519 39.000 0.137 0.000 1.440 114 F HN -0.043 8.254 8.300 0.173 0.106 0.526 115 P HA -0.221 nan 4.420 nan 0.000 0.220 115 P C 0.189 177.686 177.300 0.327 0.000 1.148 115 P CA 2.568 65.828 63.100 0.266 0.000 0.803 115 P CB -0.148 31.633 31.700 0.134 0.000 0.782 116 D N -3.764 116.812 120.400 0.293 0.000 2.178 116 D HA -0.287 nan 4.640 nan 0.000 0.202 116 D C 0.929 177.368 176.300 0.231 0.000 0.974 116 D CA 2.480 56.625 54.000 0.241 0.000 0.841 116 D CB -1.203 39.729 40.800 0.220 0.000 0.953 116 D HN 0.453 8.959 8.370 0.320 0.055 0.478 117 R N -2.742 117.898 120.500 0.233 0.000 2.115 117 R HA -0.189 nan 4.340 nan 0.000 0.226 117 R C 1.485 177.645 176.300 -0.234 0.000 1.100 117 R CA 1.887 57.985 56.100 -0.003 0.000 0.980 117 R CB -0.537 29.671 30.300 -0.154 0.000 0.875 117 R HN -0.514 7.946 8.270 0.346 0.018 0.445 118 F N -2.527 117.456 119.950 0.056 0.000 2.234 118 F HA -0.073 nan 4.527 nan 0.000 0.296 118 F C -0.255 175.550 175.800 0.009 0.000 1.089 118 F CA 2.253 60.252 58.000 -0.002 0.000 1.343 118 F CB 0.764 39.740 39.000 -0.041 0.000 1.040 118 F HN -0.790 7.652 8.300 0.467 0.138 0.498 119 V N -7.326 112.717 119.914 0.215 0.000 2.919 119 V HA 0.453 nan 4.120 nan 0.000 0.316 119 V C -2.845 173.338 176.094 0.150 0.000 1.077 119 V CA -4.539 57.861 62.300 0.166 0.000 0.977 119 V CB 0.229 32.155 31.823 0.172 0.000 1.039 119 V HN -0.575 7.761 8.190 0.243 0.000 0.441 120 P HA 0.086 nan 4.420 nan 0.000 0.271 120 P C -0.273 177.110 177.300 0.138 0.000 1.218 120 P CA -0.547 62.639 63.100 0.143 0.000 0.780 120 P CB 0.620 32.391 31.700 0.118 0.000 0.901 121 A N 4.370 127.283 122.820 0.154 0.000 1.929 121 A HA -0.487 nan 4.320 nan 0.000 0.221 121 A C 2.067 179.715 177.584 0.108 0.000 1.211 121 A CA 3.659 55.777 52.037 0.135 0.000 0.657 121 A CB -0.653 18.439 19.000 0.152 0.000 0.827 121 A HN 0.650 8.806 8.150 0.184 0.104 0.462 122 E N -2.819 117.441 120.200 0.100 0.000 2.021 122 E HA -0.413 nan 4.350 nan 0.000 0.200 122 E C 2.303 178.950 176.600 0.078 0.000 1.015 122 E CA 3.269 59.717 56.400 0.079 0.000 0.824 122 E CB -0.574 29.164 29.700 0.063 0.000 0.762 122 E HN 0.250 8.676 8.360 0.110 0.000 0.454 123 T N 1.311 115.917 114.554 0.088 0.000 2.995 123 T HA -0.079 nan 4.350 nan 0.000 0.269 123 T C 2.424 177.176 174.700 0.088 0.000 1.091 123 T CA 2.995 65.147 62.100 0.088 0.000 1.128 123 T CB -0.720 68.209 68.868 0.101 0.000 0.891 123 T HN -0.487 7.811 8.240 0.095 0.000 0.492 124 I N 2.363 122.991 120.570 0.096 0.000 2.113 124 I HA -0.623 nan 4.170 nan 0.000 0.238 124 I C 1.034 177.196 176.117 0.075 0.000 1.070 124 I CA 4.476 65.831 61.300 0.092 0.000 1.332 124 I CB -0.441 37.621 38.000 0.104 0.000 1.044 124 I HN 0.123 8.375 8.210 0.104 0.020 0.402 125 N N -0.465 118.278 118.700 0.072 0.000 2.104 125 N HA -0.389 nan 4.740 nan 0.000 0.190 125 N C 2.277 177.819 175.510 0.053 0.000 1.024 125 N CA 3.745 56.831 53.050 0.059 0.000 0.853 125 N CB 0.234 38.756 38.487 0.058 0.000 1.008 125 N HN -0.225 8.203 8.380 0.079 0.000 0.424 126 R N -0.732 119.802 120.500 0.056 0.000 2.082 126 R HA -0.371 nan 4.340 nan 0.000 0.234 126 R C 1.900 178.230 176.300 0.050 0.000 1.136 126 R CA 3.509 59.640 56.100 0.052 0.000 0.935 126 R CB -0.245 30.087 30.300 0.054 0.000 0.842 126 R HN 0.421 8.728 8.270 0.062 0.000 0.430 127 A N -2.224 120.628 122.820 0.053 0.000 2.019 127 A HA -0.233 nan 4.320 nan 0.000 0.219 127 A C 2.436 180.046 177.584 0.045 0.000 1.164 127 A CA 2.865 54.931 52.037 0.049 0.000 0.644 127 A CB -0.811 18.221 19.000 0.052 0.000 0.805 127 A HN -0.397 7.788 8.150 0.059 0.000 0.449 128 N N -1.656 117.070 118.700 0.044 0.000 2.171 128 N HA -0.233 nan 4.740 nan 0.000 0.184 128 N C 1.998 177.526 175.510 0.029 0.000 1.021 128 N CA 2.643 55.713 53.050 0.034 0.000 0.854 128 N CB -0.391 38.116 38.487 0.033 0.000 0.994 128 N HN -0.170 8.239 8.380 0.049 -0.000 0.426 129 K N 1.481 121.901 120.400 0.034 0.000 2.057 129 K HA -0.346 nan 4.320 nan 0.000 0.207 129 K C 2.115 178.738 176.600 0.038 0.000 1.049 129 K CA 3.556 59.861 56.287 0.031 0.000 0.931 129 K CB 0.048 32.569 32.500 0.035 0.000 0.714 129 K HN 0.273 8.353 8.250 0.039 0.193 0.440 130 E N -1.524 118.705 120.200 0.049 0.000 2.153 130 E HA -0.343 nan 4.350 nan 0.000 0.194 130 E C 2.243 178.881 176.600 0.063 0.000 0.988 130 E CA 2.786 59.226 56.400 0.066 0.000 0.811 130 E CB -0.266 29.470 29.700 0.059 0.000 0.746 130 E HN 0.238 8.524 8.360 0.047 0.102 0.466 131 A N -1.182 121.664 122.820 0.044 0.000 1.877 131 A HA -0.212 nan 4.320 nan 0.000 0.216 131 A C 1.517 179.115 177.584 0.023 0.000 1.186 131 A CA 3.128 55.186 52.037 0.036 0.000 0.620 131 A CB -0.519 18.496 19.000 0.024 0.000 0.822 131 A HN -0.417 7.670 8.150 0.040 0.087 0.443 132 S N -1.948 113.757 115.700 0.009 0.000 2.395 132 S HA -0.151 nan 4.470 nan 0.000 0.225 132 S C 1.659 176.239 174.600 -0.033 0.000 1.027 132 S CA 2.107 60.299 58.200 -0.013 0.000 0.965 132 S CB 0.398 63.587 63.200 -0.018 0.000 0.812 132 S HN -0.402 7.916 8.310 0.013 0.000 0.482 133 N N 1.225 119.916 118.700 -0.015 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.139 175.500 175.510 -0.247 0.000 1.044 133 N CA 2.519 55.521 53.050 -0.080 0.000 0.851 133 N CB 0.591 39.120 38.487 0.071 0.000 1.036 133 N HN -0.047 8.111 8.380 0.023 0.236 0.422 134 H N -1.975 117.098 119.070 0.005 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.399 172.932 175.328 0.005 0.000 0.973 134 H CA -2.279 53.772 56.048 0.005 0.000 1.321 134 H CB 1.393 31.158 29.762 0.006 0.000 1.535 134 H HN -0.601 7.765 8.280 0.144 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.651 175.691 177.300 0.069 0.000 1.220 135 P CA -0.099 63.032 63.100 0.053 0.000 0.768 135 P CB 0.481 32.192 31.700 0.019 0.000 0.848 136 D N 2.886 123.321 120.400 0.057 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.036 176.289 176.300 0.041 0.000 1.196 136 D CA -0.027 54.002 54.000 0.048 0.000 0.741 136 D CB 1.458 42.288 40.800 0.049 0.000 1.474 136 D HN -0.409 7.993 8.370 0.054 0.000 0.452 137 Q N 1.442 121.262 119.800 0.033 0.000 2.224 137 Q HA -0.201 nan 4.340 nan 0.000 0.203 137 Q C -0.055 175.961 176.000 0.025 0.000 0.970 137 Q CA 2.178 58.000 55.803 0.032 0.000 0.865 137 Q CB 0.249 29.000 28.738 0.023 0.000 0.922 137 Q HN 0.139 8.427 8.270 0.029 0.000 0.445 138 Q N -1.449 118.363 119.800 0.019 0.000 2.352 138 Q HA -0.241 nan 4.340 nan 0.000 0.326 138 Q C -0.883 175.125 176.000 0.013 0.000 1.135 138 Q CA 0.921 56.730 55.803 0.011 0.000 1.000 138 Q CB 0.465 29.206 28.738 0.005 0.000 1.237 138 Q HN -0.264 8.159 8.270 0.021 -0.141 0.409 139 S N 2.369 118.071 115.700 0.003 0.000 2.592 139 S HA 0.371 nan 4.470 nan 0.000 0.271 139 S C -0.738 173.866 174.600 0.006 0.000 1.326 139 S CA 0.201 58.402 58.200 0.002 0.000 1.024 139 S CB 0.825 64.019 63.200 -0.009 0.000 0.921 139 S HN 0.098 8.407 8.310 -0.001 0.000 0.527 140 I N 2.469 123.045 120.570 0.010 0.000 2.474 140 I HA 0.330 nan 4.170 nan 0.000 0.294 140 I C -2.101 174.022 176.117 0.010 0.000 1.005 140 I CA -0.534 60.775 61.300 0.015 0.000 1.113 140 I CB 2.420 40.436 38.000 0.027 0.000 1.289 140 I HN 0.132 8.347 8.210 0.009 0.000 0.436 141 V N 6.686 126.606 119.914 0.009 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.714 174.389 176.094 0.016 0.000 1.051 141 V CA -1.771 60.532 62.300 0.006 0.000 0.893 141 V CB 2.350 34.169 31.823 -0.007 0.000 0.999 141 V HN 0.131 8.328 8.190 0.012 0.000 0.426 142 V N 7.639 127.567 119.914 0.023 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.914 174.203 176.094 0.039 0.000 1.042 142 V CA -1.215 61.106 62.300 0.036 0.000 0.877 142 V CB 3.567 35.420 31.823 0.051 0.000 0.996 142 V HN 0.606 8.809 8.190 0.022 0.000 0.425 143 E N 6.493 126.720 120.200 0.045 0.000 2.052 143 E HA 0.142 nan 4.350 nan 0.000 0.283 143 E C -0.122 176.537 176.600 0.098 0.000 1.071 143 E CA -1.170 55.266 56.400 0.059 0.000 0.851 143 E CB 0.813 30.555 29.700 0.070 0.000 1.066 143 E HN 0.420 8.806 8.360 0.044 0.000 0.396 144 A N 7.820 130.713 122.820 0.123 0.000 2.070 144 A HA -0.188 nan 4.320 nan 0.000 0.220 144 A C 1.103 178.790 177.584 0.172 0.000 1.159 144 A CA 2.513 54.641 52.037 0.151 0.000 0.656 144 A CB -0.494 18.621 19.000 0.192 0.000 0.800 144 A HN 0.822 8.941 8.150 0.111 0.097 0.453 145 E N -2.061 118.272 120.200 0.222 0.000 2.233 145 E HA -0.216 nan 4.350 nan 0.000 0.199 145 E C -0.047 176.638 176.600 0.142 0.000 1.004 145 E CA 1.106 57.644 56.400 0.231 0.000 0.819 145 E CB 0.158 30.029 29.700 0.285 0.000 0.738 145 E HN 0.126 8.587 8.360 0.238 0.041 0.478 146 E N -3.458 116.803 120.200 0.102 0.000 8.077 146 E HA -0.287 nan 4.350 nan 0.000 0.162 146 E C -1.105 175.516 176.600 0.035 0.000 1.458 146 E CA 0.838 57.273 56.400 0.059 0.000 2.527 146 E CB -0.018 29.707 29.700 0.041 0.000 1.500 146 E HN -0.255 8.131 8.360 0.108 0.039 0.455 147 T N -0.192 114.367 114.554 0.008 0.000 3.071 147 T HA 0.577 nan 4.350 nan 0.000 0.311 147 T C -1.047 173.632 174.700 -0.036 0.000 1.042 147 T CA 0.039 62.132 62.100 -0.012 0.000 1.028 147 T CB 1.955 70.820 68.868 -0.005 0.000 1.068 147 T HN 0.451 8.692 8.240 0.002 0.000 0.451 148 G N 1.762 110.522 108.800 -0.068 0.000 2.660 148 G HA2 0.102 nan 3.960 nan 0.000 0.290 148 G HA3 0.102 nan 3.960 nan 0.000 0.290 148 G C -2.219 172.611 174.900 -0.117 0.000 1.432 148 G CA -0.005 45.040 45.100 -0.092 0.000 0.807 148 G HN -0.236 8.008 8.290 -0.076 0.000 0.485 149 N N -0.011 118.628 118.700 -0.102 0.000 2.472 149 N HA 0.064 nan 4.740 nan 0.000 0.277 149 N C -0.072 175.350 175.510 -0.147 0.000 1.081 149 N CA -0.434 52.558 53.050 -0.097 0.000 0.973 149 N CB 0.975 39.429 38.487 -0.056 0.000 1.105 149 N HN -0.010 8.318 8.380 -0.086 0.000 0.470 150 I N 5.212 125.685 120.570 -0.162 0.000 2.268 150 I HA 0.040 nan 4.170 nan 0.000 0.290 150 I C -0.021 176.040 176.117 -0.093 0.000 1.125 150 I CA 0.074 61.241 61.300 -0.222 0.000 1.236 150 I CB -0.415 37.435 38.000 -0.250 0.000 1.469 150 I HN 0.299 8.438 8.210 -0.118 0.000 0.512 151 L N 5.722 126.913 121.223 -0.053 0.000 2.127 151 L HA -0.081 nan 4.340 nan 0.000 0.203 151 L C 0.369 177.259 176.870 0.033 0.000 1.080 151 L CA 1.314 56.153 54.840 -0.003 0.000 0.768 151 L CB -0.227 41.838 42.059 0.009 0.000 0.924 151 L HN 0.212 8.400 8.230 -0.069 0.000 0.444 152 D N -1.566 118.876 120.400 0.069 0.000 2.168 152 D HA 0.328 nan 4.640 nan 0.000 0.246 152 D C -0.971 175.413 176.300 0.139 0.000 1.050 152 D CA -2.765 51.299 54.000 0.106 0.000 0.857 152 D CB 1.455 42.340 40.800 0.142 0.000 1.169 152 D HN -0.616 7.794 8.370 0.067 0.000 0.453 153 P HA -0.076 nan 4.420 nan 0.000 0.226 153 P C 0.467 177.843 177.300 0.127 0.000 1.153 153 P CA 1.220 64.385 63.100 0.109 0.000 0.777 153 P CB 0.346 32.085 31.700 0.065 0.000 0.794 154 E N -0.507 119.777 120.200 0.140 0.000 2.265 154 E HA -0.276 nan 4.350 nan 0.000 0.196 154 E C 1.483 178.167 176.600 0.140 0.000 0.996 154 E CA 2.242 58.720 56.400 0.130 0.000 0.832 154 E CB -0.610 29.186 29.700 0.160 0.000 0.756 154 E HN -0.276 8.427 8.360 0.141 -0.258 0.491 155 Y N 0.462 120.819 120.300 0.094 0.000 2.256 155 Y HA -0.373 nan 4.550 nan 0.000 0.288 155 Y C 1.704 177.657 175.900 0.088 0.000 1.155 155 Y CA 3.280 61.441 58.100 0.102 0.000 1.203 155 Y CB 0.044 38.555 38.460 0.085 0.000 0.980 155 Y HN -0.496 7.828 8.280 0.313 0.144 0.530 156 K N -2.062 118.428 120.400 0.151 0.000 2.103 156 K HA -0.334 nan 4.320 nan 0.000 0.207 156 K C 2.272 178.881 176.600 0.014 0.000 1.048 156 K CA 2.292 58.654 56.287 0.125 0.000 0.930 156 K CB -0.831 31.740 32.500 0.118 0.000 0.716 156 K HN -0.244 7.970 8.250 0.198 0.154 0.444 157 L N -2.074 119.063 121.223 -0.143 0.000 2.376 157 L HA -0.158 nan 4.340 nan 0.000 0.219 157 L C 1.377 177.970 176.870 -0.461 0.000 1.133 157 L CA 1.454 56.067 54.840 -0.379 0.000 0.816 157 L CB -0.790 41.137 42.059 -0.220 0.000 0.933 157 L HN -0.467 7.587 8.230 -0.068 0.135 0.449 158 S N 0.929 116.431 115.700 -0.329 0.000 2.402 158 S HA -0.422 nan 4.470 nan 0.000 0.233 158 S C 2.017 176.511 174.600 -0.178 0.000 1.030 158 S CA 3.253 61.291 58.200 -0.271 0.000 1.003 158 S CB -0.290 62.606 63.200 -0.505 0.000 0.813 158 S HN 0.055 7.978 8.310 -0.334 0.186 0.477 159 Y N -0.801 119.482 120.300 -0.029 0.000 2.181 159 Y HA -0.353 nan 4.550 nan 0.000 0.288 159 Y C 1.035 177.001 175.900 0.110 0.000 1.146 159 Y CA 1.791 59.923 58.100 0.052 0.000 1.164 159 Y CB -0.979 37.521 38.460 0.066 0.000 0.982 159 Y HN -0.767 7.400 8.280 -0.152 0.022 0.515 160 F N 0.291 119.857 119.950 -0.639 0.000 2.098 160 F HA -0.242 nan 4.527 nan 0.000 0.294 160 F C 2.349 178.083 175.800 -0.109 0.000 1.107 160 F CA 2.844 60.694 58.000 -0.249 0.000 1.234 160 F CB 0.624 39.416 39.000 -0.347 0.000 1.002 160 F HN -0.345 7.111 8.300 -1.238 0.102 0.472 161 R N -1.627 118.945 120.500 0.120 0.000 2.075 161 R HA -0.267 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.090 176.300 -0.089 0.000 1.126 161 R CA 2.807 58.965 56.100 0.097 0.000 0.963 161 R CB -0.121 30.236 30.300 0.094 0.000 0.858 161 R HN -0.218 8.086 8.270 0.056 0.000 0.435 162 E N -3.771 116.387 120.200 -0.072 0.000 2.427 162 E HA -0.024 nan 4.350 nan 0.000 0.196 162 E C -0.529 176.027 176.600 -0.075 0.000 1.028 162 E CA 0.343 56.710 56.400 -0.055 0.000 0.864 162 E CB 0.343 30.043 29.700 0.001 0.000 0.813 162 E HN -0.372 7.836 8.360 -0.061 0.115 0.514 163 D N 0.439 120.777 120.400 -0.105 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.581 176.829 176.300 -0.086 0.000 1.137 163 D CA 0.817 54.771 54.000 -0.077 0.000 0.868 163 D CB 0.911 41.661 40.800 -0.084 0.000 1.180 163 D HN -0.910 7.205 8.370 -0.146 0.167 0.465 164 I N 6.225 126.754 120.570 -0.069 0.000 2.252 164 I HA -0.225 nan 4.170 nan 0.000 0.245 164 I C 1.057 177.226 176.117 0.086 0.000 1.102 164 I CA 2.962 64.300 61.300 0.064 0.000 1.385 164 I CB 0.500 38.406 38.000 -0.157 0.000 1.064 164 I HN 0.425 8.551 8.210 -0.139 0.000 0.414 165 G N -0.879 107.923 108.800 0.004 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.389 176.210 174.900 -0.132 0.000 1.158 165 G CA 2.249 47.339 45.100 -0.017 0.000 0.771 165 G HN -0.225 8.268 8.290 0.010 -0.197 0.545 166 I N 2.158 122.540 120.570 -0.312 0.000 2.179 166 I HA -0.461 nan 4.170 nan 0.000 0.242 166 I C 1.780 177.787 176.117 -0.183 0.000 1.088 166 I CA 2.664 63.653 61.300 -0.519 0.000 1.357 166 I CB -1.033 36.558 38.000 -0.681 0.000 1.051 166 I HN -0.364 7.939 8.210 -0.270 -0.254 0.409 167 N N -0.097 118.556 118.700 -0.078 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.204 177.829 175.510 0.192 0.000 1.024 167 N CA 3.468 56.526 53.050 0.014 0.000 0.852 167 N CB -0.351 38.072 38.487 -0.106 0.000 1.003 167 N HN -0.593 7.718 8.380 -0.114 0.000 0.424 168 A N -0.016 122.965 122.820 0.268 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.839 179.594 177.584 0.284 0.000 1.181 168 A CA 3.063 55.259 52.037 0.265 0.000 0.623 168 A CB -0.724 18.437 19.000 0.269 0.000 0.818 168 A HN -0.138 8.058 8.150 0.239 0.098 0.443 169 H N 0.174 119.392 119.070 0.246 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.797 177.364 175.328 0.398 0.000 1.087 169 H CA 3.997 60.250 56.048 0.342 0.000 1.319 169 H CB 0.091 29.942 29.762 0.147 0.000 1.379 169 H HN -0.083 8.374 8.280 0.295 0.000 0.501 170 H N -0.393 118.819 119.070 0.236 0.000 2.387 170 H HA -0.363 nan 4.556 nan 0.000 0.299 170 H C 2.548 178.093 175.328 0.363 0.000 1.090 170 H CA 3.189 59.382 56.048 0.242 0.000 1.332 170 H CB 0.343 30.226 29.762 0.202 0.000 1.386 170 H HN -0.463 7.984 8.280 0.416 0.082 0.516 171 W N 0.384 121.740 121.300 0.093 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.610 178.107 176.519 -0.038 0.000 1.206 171 W CA 4.129 61.464 57.345 -0.017 0.000 1.284 171 W CB -0.327 29.040 29.460 -0.155 0.000 1.145 171 W HN -0.201 8.240 8.180 0.436 0.000 0.502 172 H N -2.495 116.767 119.070 0.320 0.000 2.353 172 H HA -0.363 nan 4.556 nan 0.000 0.300 172 H C 2.211 177.551 175.328 0.020 0.000 1.090 172 H CA 4.235 60.378 56.048 0.159 0.000 1.327 172 H CB -0.264 29.599 29.762 0.169 0.000 1.383 172 H HN -0.307 7.971 8.280 0.121 0.074 0.508 173 W N 0.294 121.541 121.300 -0.088 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.780 178.267 176.519 -0.053 0.000 1.208 173 W CA 4.911 62.187 57.345 -0.115 0.000 1.274 173 W CB -0.123 29.169 29.460 -0.281 0.000 1.138 173 W HN 0.530 8.801 8.180 0.152 0.000 0.515 174 H N -3.022 116.221 119.070 0.289 0.000 2.421 174 H HA -0.314 nan 4.556 nan 0.000 0.298 174 H C 2.526 177.829 175.328 -0.042 0.000 1.087 174 H CA 4.287 60.459 56.048 0.206 0.000 1.330 174 H CB -0.165 29.651 29.762 0.090 0.000 1.388 174 H HN -0.647 7.809 8.280 0.293 0.000 0.526 175 I N -0.719 119.779 120.570 -0.120 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.638 177.703 176.117 -0.087 0.000 1.102 175 I CA 2.745 63.937 61.300 -0.179 0.000 1.385 175 I CB -0.189 37.676 38.000 -0.226 0.000 1.064 175 I HN -0.707 7.289 8.210 -0.144 0.127 0.414 176 V N -4.427 115.355 119.914 -0.219 0.000 2.427 176 V HA -0.218 nan 4.120 nan 0.000 0.248 176 V C 0.184 175.836 176.094 -0.737 0.000 1.051 176 V CA 2.883 64.926 62.300 -0.429 0.000 1.048 176 V CB 0.043 31.548 31.823 -0.529 0.000 0.666 176 V HN -0.538 7.453 8.190 -0.194 0.083 0.456 177 Y N -1.745 118.209 120.300 -0.576 0.000 2.842 177 Y HA 0.456 nan 4.550 nan 0.000 0.334 177 Y C -2.356 173.395 175.900 -0.248 0.000 1.019 177 Y CA -3.167 54.595 58.100 -0.563 0.000 1.258 177 Y CB -0.008 37.934 38.460 -0.863 0.000 1.106 177 Y HN -0.296 7.674 8.280 -0.517 0.000 0.545 178 P HA 0.075 nan 4.420 nan 0.000 0.278 178 P C -0.271 177.141 177.300 0.185 0.000 1.238 178 P CA -0.737 62.468 63.100 0.176 0.000 0.794 178 P CB 0.423 32.221 31.700 0.164 0.000 0.955 179 A N 3.535 126.468 122.820 0.188 0.000 1.930 179 A HA -0.205 nan 4.320 nan 0.000 0.217 179 A C 1.076 178.726 177.584 0.110 0.000 1.175 179 A CA 3.127 55.244 52.037 0.133 0.000 0.627 179 A CB -0.477 18.579 19.000 0.094 0.000 0.815 179 A HN 0.570 8.848 8.150 0.213 0.000 0.443 180 T N -5.802 108.815 114.554 0.105 0.000 3.035 180 T HA -0.204 nan 4.350 nan 0.000 0.268 180 T C 0.851 175.587 174.700 0.061 0.000 1.109 180 T CA 0.135 62.283 62.100 0.081 0.000 1.119 180 T CB -0.452 68.493 68.868 0.128 0.000 0.900 180 T HN 0.019 8.302 8.240 0.115 0.026 0.503 181 W N 3.509 124.735 121.300 -0.124 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.774 174.668 176.519 -0.128 0.000 1.257 181 W CA 1.290 58.522 57.345 -0.188 0.000 1.280 181 W CB -0.179 29.171 29.460 -0.182 0.000 1.214 181 W HN -0.748 7.376 8.180 0.235 0.198 0.567 182 N N 8.031 126.382 118.700 -0.581 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.663 173.471 175.510 -0.626 0.000 0.979 182 N CA -3.078 49.731 53.050 -0.402 0.000 0.930 182 N CB 1.991 40.306 38.487 -0.286 0.000 1.172 182 N HN -0.058 7.795 8.380 -0.877 0.000 0.499 183 P HA -0.057 nan 4.420 nan 0.000 0.221 183 P C 0.854 178.053 177.300 -0.167 0.000 1.150 183 P CA 1.750 64.755 63.100 -0.158 0.000 0.800 183 P CB 0.453 32.234 31.700 0.134 0.000 0.787 184 T N -4.957 109.512 114.554 -0.143 0.000 2.737 184 T HA -0.237 nan 4.350 nan 0.000 0.265 184 T C 1.549 176.158 174.700 -0.151 0.000 1.038 184 T CA 3.029 65.066 62.100 -0.106 0.000 1.144 184 T CB -0.526 68.297 68.868 -0.074 0.000 0.866 184 T HN 0.335 8.773 8.240 -0.137 -0.281 0.434 185 V N 1.479 121.259 119.914 -0.223 0.000 2.261 185 V HA -0.283 nan 4.120 nan 0.000 0.246 185 V C 1.947 177.871 176.094 -0.283 0.000 1.047 185 V CA 2.792 64.955 62.300 -0.228 0.000 1.015 185 V CB -0.241 31.426 31.823 -0.260 0.000 0.642 185 V HN -0.492 7.760 8.190 -0.239 -0.205 0.446 186 M N -2.417 116.897 119.600 -0.477 0.000 2.132 186 M HA -0.152 nan 4.480 nan 0.000 0.263 186 M C 1.441 177.605 176.300 -0.227 0.000 1.065 186 M CA 1.419 56.422 55.300 -0.494 0.000 1.122 186 M CB 0.364 32.450 32.600 -0.858 0.000 1.365 186 M HN -0.310 7.614 8.290 -0.611 0.000 0.411 187 G N -3.195 105.505 108.800 -0.166 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.636 173.270 174.900 0.010 0.000 1.058 187 G CA 0.376 45.442 45.100 -0.057 0.000 0.632 187 G HN 0.132 8.086 8.290 -0.223 0.202 0.508 188 K N 0.833 121.264 120.400 0.053 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.307 175.479 176.600 0.310 0.000 0.988 188 K CA -1.296 55.089 56.287 0.162 0.000 0.915 188 K CB 1.010 33.628 32.500 0.197 0.000 1.043 188 K HN -0.289 7.861 8.250 -0.004 0.098 0.457 189 E N -0.930 119.422 120.200 0.254 0.000 2.277 189 E HA 0.209 nan 4.350 nan 0.000 0.266 189 E C -0.891 175.755 176.600 0.077 0.000 0.901 189 E CA -1.972 54.600 56.400 0.287 0.000 0.782 189 E CB 2.196 32.008 29.700 0.186 0.000 1.228 189 E HN 0.045 8.504 8.360 0.165 0.000 0.424 190 K N 1.127 121.457 120.400 -0.117 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.662 175.944 176.600 0.009 0.000 1.066 190 K CA -1.501 54.656 56.287 -0.217 0.000 0.901 190 K CB 0.209 32.431 32.500 -0.463 0.000 1.089 190 K HN 0.386 8.593 8.250 -0.073 0.000 0.476 191 D N 4.163 124.602 120.400 0.065 0.000 2.425 191 D HA -0.080 nan 4.640 nan 0.000 0.247 191 D C 0.119 176.480 176.300 0.102 0.000 1.147 191 D CA 1.090 55.144 54.000 0.090 0.000 0.879 191 D CB 0.342 41.201 40.800 0.099 0.000 1.179 191 D HN 0.143 8.540 8.370 0.045 0.000 0.456 192 R N -0.278 120.261 120.500 0.064 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.657 176.963 176.300 0.010 0.000 1.053 192 R CA 0.985 57.101 56.100 0.027 0.000 0.705 192 R CB -2.267 28.019 30.300 -0.025 0.000 1.124 192 R HN 0.738 9.048 8.270 0.067 0.000 0.444 193 K N -1.558 118.868 120.400 0.043 0.000 2.097 193 K HA -0.223 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.310 176.600 0.066 0.000 1.050 193 K CA 2.781 59.064 56.287 -0.007 0.000 0.938 193 K CB -0.637 31.942 32.500 0.132 0.000 0.718 193 K HN -0.361 7.930 8.250 0.069 0.000 0.442 194 G N -0.673 108.188 108.800 0.102 0.000 2.418 194 G HA2 -0.321 nan 3.960 nan 0.000 0.217 194 G HA3 -0.321 nan 3.960 nan 0.000 0.217 194 G C 0.875 175.901 174.900 0.211 0.000 1.158 194 G CA 2.048 47.240 45.100 0.154 0.000 0.771 194 G HN -0.162 8.338 8.290 0.081 -0.161 0.545 195 E N 1.589 121.864 120.200 0.123 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.890 178.589 176.600 0.165 0.000 0.984 195 E CA 2.184 58.659 56.400 0.124 0.000 0.806 195 E CB -0.248 29.466 29.700 0.023 0.000 0.750 195 E HN -0.608 7.896 8.360 0.077 -0.098 0.458 196 L N 0.026 121.299 121.223 0.084 0.000 2.083 196 L HA -0.334 nan 4.340 nan 0.000 0.209 196 L C 1.258 178.269 176.870 0.234 0.000 1.083 196 L CA 3.142 58.040 54.840 0.096 0.000 0.752 196 L CB -0.285 41.708 42.059 -0.110 0.000 0.899 196 L HN -0.039 8.131 8.230 0.025 0.075 0.433 197 F N 0.691 120.761 119.950 0.199 0.000 2.095 197 F HA -0.483 nan 4.527 nan 0.000 0.298 197 F C 1.162 176.966 175.800 0.006 0.000 1.104 197 F CA 4.169 62.288 58.000 0.200 0.000 1.232 197 F CB -0.064 39.062 39.000 0.210 0.000 0.987 197 F HN 0.214 8.672 8.300 0.403 0.084 0.475 198 F N 0.265 120.111 119.950 -0.172 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.800 176.344 175.800 -0.428 0.000 1.105 198 F CA 3.732 61.360 58.000 -0.620 0.000 1.239 198 F CB -0.103 38.425 39.000 -0.787 0.000 0.991 198 F HN -0.477 7.935 8.300 0.324 0.083 0.474 199 Y N -0.114 119.836 120.300 -0.584 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.515 177.053 175.900 -0.603 0.000 1.136 199 Y CA 3.801 61.532 58.100 -0.616 0.000 1.147 199 Y CB 0.108 38.456 38.460 -0.188 0.000 0.987 199 Y HN 0.081 8.327 8.280 0.073 0.077 0.509 200 M N -0.747 118.526 119.600 -0.546 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.909 177.672 176.300 -0.895 0.000 1.067 200 M CA 2.733 57.571 55.300 -0.770 0.000 1.116 200 M CB -0.413 31.592 32.600 -0.991 0.000 1.348 200 M HN 0.329 8.441 8.290 -0.297 0.000 0.407 201 H N -1.637 116.934 119.070 -0.832 0.000 2.389 201 H HA -0.265 nan 4.556 nan 0.000 0.299 201 H C 2.503 177.519 175.328 -0.520 0.000 1.081 201 H CA 4.616 60.310 56.048 -0.589 0.000 1.345 201 H CB -0.335 29.102 29.762 -0.541 0.000 1.393 201 H HN -0.497 7.345 8.280 -0.730 0.000 0.520 202 Q N -0.561 118.844 119.800 -0.658 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.392 178.074 176.000 -0.530 0.000 0.978 202 Q CA 3.329 58.766 55.803 -0.610 0.000 0.844 202 Q CB -0.350 27.817 28.738 -0.952 0.000 0.898 202 Q HN -0.193 7.443 8.270 -0.888 0.101 0.426 203 Q N -0.687 118.649 119.800 -0.773 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.311 176.000 -0.547 0.000 0.977 203 Q CA 2.699 58.055 55.803 -0.745 0.000 0.850 203 Q CB -0.314 27.727 28.738 -1.163 0.000 0.901 203 Q HN 0.018 7.687 8.270 -1.002 0.000 0.429 204 M N -0.085 119.234 119.600 -0.469 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.304 178.650 176.300 0.078 0.000 1.065 204 M CA 4.388 59.608 55.300 -0.132 0.000 1.114 204 M CB -0.079 32.521 32.600 0.001 0.000 1.361 204 M HN -0.141 7.732 8.290 -0.576 0.072 0.408 205 C N -1.001 118.328 119.300 0.048 0.000 2.446 205 C HA -0.341 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.842 174.990 0.041 0.000 1.275 205 C CA 4.045 63.158 59.018 0.159 0.000 1.727 205 C CB -2.106 25.703 27.740 0.115 0.000 2.010 205 C HN -0.107 8.088 8.230 -0.057 0.000 0.486 206 A N -0.030 122.739 122.820 -0.085 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.933 179.448 177.584 -0.116 0.000 1.181 206 A CA 3.372 55.344 52.037 -0.108 0.000 0.623 206 A CB -0.952 17.962 19.000 -0.144 0.000 0.818 206 A HN 0.572 8.460 8.150 -0.151 0.171 0.443 207 R N -1.959 118.463 120.500 -0.129 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.407 176.300 -0.271 0.000 1.127 207 R CA 3.167 59.199 56.100 -0.114 0.000 0.968 207 R CB -0.047 30.259 30.300 0.011 0.000 0.861 207 R HN 0.228 8.289 8.270 -0.155 0.116 0.440 208 Y N 1.060 121.074 120.300 -0.478 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.378 176.963 175.900 -0.525 0.000 1.146 208 Y CA 3.249 60.864 58.100 -0.810 0.000 1.164 208 Y CB -0.095 37.867 38.460 -0.830 0.000 0.982 208 Y HN -0.098 8.063 8.280 -0.062 0.082 0.515 209 D N -1.695 118.532 120.400 -0.289 0.000 2.178 209 D HA -0.341 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.758 176.300 -0.270 0.000 0.980 209 D CA 3.332 57.172 54.000 -0.267 0.000 0.842 209 D CB -0.834 39.894 40.800 -0.121 0.000 0.948 209 D HN 0.193 8.430 8.370 -0.107 0.068 0.472 210 S N -1.242 114.334 115.700 -0.207 0.000 2.423 210 S HA -0.246 nan 4.470 nan 0.000 0.231 210 S C 1.920 176.460 174.600 -0.101 0.000 1.014 210 S CA 3.440 61.594 58.200 -0.077 0.000 0.965 210 S CB -0.240 62.962 63.200 0.003 0.000 0.785 210 S HN -0.300 7.801 8.310 -0.200 0.088 0.495 211 E N 1.453 121.479 120.200 -0.290 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.041 176.600 -0.271 0.000 0.985 211 E CA 2.825 59.072 56.400 -0.256 0.000 0.801 211 E CB -0.453 28.951 29.700 -0.493 0.000 0.750 211 E HN -0.508 7.453 8.360 -0.446 0.132 0.452 212 R N -0.580 119.647 120.500 -0.455 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.924 176.300 -0.175 0.000 1.131 212 R CA 3.314 59.208 56.100 -0.345 0.000 0.960 212 R CB -0.134 29.938 30.300 -0.380 0.000 0.856 212 R HN -0.457 7.354 8.270 -0.639 0.076 0.436 213 L N -1.176 119.962 121.223 -0.142 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.577 176.870 -0.043 0.000 1.083 213 L CA 3.119 57.908 54.840 -0.085 0.000 0.752 213 L CB -0.577 41.433 42.059 -0.082 0.000 0.899 213 L HN -0.045 8.078 8.230 -0.177 0.000 0.433 214 S N 0.608 116.317 115.700 0.015 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.243 174.600 0.016 0.000 1.027 214 S CA 3.961 62.206 58.200 0.075 0.000 0.991 214 S CB -0.431 62.850 63.200 0.135 0.000 0.823 214 S HN -0.019 8.185 8.310 -0.002 0.105 0.469 215 N N -0.938 117.754 118.700 -0.014 0.000 2.396 215 N HA -0.206 nan 4.740 nan 0.000 0.180 215 N C 0.675 176.166 175.510 -0.031 0.000 1.028 215 N CA 1.392 54.431 53.050 -0.019 0.000 0.893 215 N CB 0.425 38.891 38.487 -0.035 0.000 0.967 215 N HN -0.226 8.029 8.380 -0.035 0.104 0.440 216 G N -2.538 106.234 108.800 -0.047 0.000 2.144 216 G HA2 -0.373 nan 3.960 nan 0.000 0.218 216 G HA3 -0.373 nan 3.960 nan 0.000 0.218 216 G C -0.770 174.101 174.900 -0.049 0.000 0.988 216 G CA -0.028 45.042 45.100 -0.050 0.000 0.659 216 G HN -0.408 7.662 8.290 -0.055 0.187 0.522 217 L N -1.049 120.137 121.223 -0.062 0.000 2.375 217 L HA 0.294 nan 4.340 nan 0.000 0.268 217 L C -0.601 176.229 176.870 -0.067 0.000 1.058 217 L CA -1.281 53.523 54.840 -0.060 0.000 0.803 217 L CB 1.862 43.877 42.059 -0.074 0.000 1.212 217 L HN 0.199 8.245 8.230 -0.074 0.139 0.451 218 Q N -2.313 117.458 119.800 -0.048 0.000 2.318 218 Q HA 0.147 nan 4.340 nan 0.000 0.222 218 Q C -0.551 175.418 176.000 -0.053 0.000 1.003 218 Q CA -0.751 55.025 55.803 -0.044 0.000 0.936 218 Q CB 1.119 29.843 28.738 -0.024 0.000 1.204 218 Q HN 0.038 8.288 8.270 -0.034 0.000 0.524 219 R N -0.802 119.670 120.500 -0.047 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.109 176.413 176.300 0.008 0.000 1.074 219 R CA 0.079 56.154 56.100 -0.041 0.000 1.133 219 R CB 0.600 30.875 30.300 -0.040 0.000 1.029 219 R HN -0.254 8.189 8.270 -0.046 -0.201 0.488 220 M N 1.510 121.143 119.600 0.055 0.000 2.248 220 M HA -0.067 nan 4.480 nan 0.000 0.337 220 M C 0.522 176.876 176.300 0.091 0.000 1.121 220 M CA 0.275 55.644 55.300 0.115 0.000 1.155 220 M CB 0.582 33.307 32.600 0.210 0.000 1.514 220 M HN 0.085 8.588 8.290 0.050 -0.184 0.452 221 I N 3.066 123.694 120.570 0.097 0.000 2.460 221 I HA 0.449 nan 4.170 nan 0.000 0.298 221 I C -1.616 174.575 176.117 0.123 0.000 0.989 221 I CA -3.444 57.908 61.300 0.086 0.000 1.173 221 I CB 1.724 39.766 38.000 0.071 0.000 1.338 221 I HN -0.039 8.237 8.210 0.109 0.000 0.456 222 P HA 0.017 nan 4.420 nan 0.000 0.271 222 P C -1.081 176.360 177.300 0.235 0.000 1.233 222 P CA -0.529 62.684 63.100 0.190 0.000 0.789 222 P CB 0.639 32.459 31.700 0.200 0.000 0.951 223 F N 2.573 122.533 119.950 0.016 0.000 2.669 223 F HA 0.011 nan 4.527 nan 0.000 0.353 223 F C -0.989 174.603 175.800 -0.346 0.000 1.192 223 F CA -2.107 55.784 58.000 -0.182 0.000 1.317 223 F CB -1.296 37.553 39.000 -0.251 0.000 1.652 223 F HN -0.278 8.202 8.300 0.300 0.000 0.608 224 H N 2.503 121.478 119.070 -0.158 0.000 2.421 224 H HA -0.222 nan 4.556 nan 0.000 0.298 224 H C -0.875 174.322 175.328 -0.219 0.000 1.087 224 H CA 2.759 58.797 56.048 -0.017 0.000 1.330 224 H CB 0.489 30.269 29.762 0.029 0.000 1.388 224 H HN -0.317 7.947 8.280 0.110 0.083 0.526 225 N N -3.495 114.828 118.700 -0.628 0.000 2.269 225 N HA 0.004 nan 4.740 nan 0.000 0.304 225 N C -1.110 173.790 175.510 -1.016 0.000 1.072 225 N CA -1.039 51.669 53.050 -0.569 0.000 0.802 225 N CB 1.094 39.396 38.487 -0.309 0.000 1.348 225 N HN -0.582 7.370 8.380 -0.653 0.037 0.484 226 F N 1.784 121.340 119.950 -0.657 0.000 2.416 226 F HA -0.012 nan 4.527 nan 0.000 0.296 226 F C 1.025 176.654 175.800 -0.286 0.000 1.099 226 F CA 2.830 60.515 58.000 -0.525 0.000 1.427 226 F CB 0.452 39.336 39.000 -0.193 0.000 1.079 226 F HN 0.357 8.652 8.300 -0.010 0.000 0.536 227 D N -1.489 118.872 120.400 -0.064 0.000 2.149 227 D HA -0.228 nan 4.640 nan 0.000 0.198 227 D C 0.929 177.211 176.300 -0.031 0.000 0.990 227 D CA 2.445 56.431 54.000 -0.023 0.000 0.839 227 D CB -0.257 40.528 40.800 -0.027 0.000 0.948 227 D HN -0.284 8.389 8.370 -0.070 -0.345 0.460 228 E N -1.158 118.972 120.200 -0.117 0.000 2.413 228 E HA 0.005 nan 4.350 nan 0.000 0.263 228 E C -1.454 175.188 176.600 0.070 0.000 1.015 228 E CA -1.327 55.049 56.400 -0.041 0.000 0.916 228 E CB -0.537 29.118 29.700 -0.074 0.000 0.947 228 E HN -0.189 7.988 8.360 -0.258 0.028 0.440 229 P HA 0.126 nan 4.420 nan 0.000 0.275 229 P C -1.412 175.914 177.300 0.043 0.000 1.228 229 P CA -0.231 62.878 63.100 0.014 0.000 0.786 229 P CB 0.774 32.438 31.700 -0.060 0.000 0.927 230 L N 1.261 122.478 121.223 -0.011 0.000 2.399 230 L HA 0.182 nan 4.340 nan 0.000 0.265 230 L C -0.039 176.807 176.870 -0.040 0.000 1.089 230 L CA -0.501 54.333 54.840 -0.010 0.000 0.802 230 L CB 0.671 42.689 42.059 -0.069 0.000 1.180 230 L HN -0.014 8.164 8.230 -0.087 0.000 0.454 231 E N 0.598 120.800 120.200 0.004 0.000 2.366 231 E HA -0.014 nan 4.350 nan 0.000 0.266 231 E C 0.155 176.780 176.600 0.040 0.000 1.051 231 E CA 0.065 56.480 56.400 0.024 0.000 0.884 231 E CB 0.793 30.530 29.700 0.062 0.000 1.006 231 E HN 0.186 8.554 8.360 0.013 0.000 0.417 232 G N 0.635 109.470 108.800 0.058 0.000 2.476 232 G HA2 0.272 nan 3.960 nan 0.000 0.286 232 G HA3 0.272 nan 3.960 nan 0.000 0.286 232 G C -2.111 172.903 174.900 0.190 0.000 1.177 232 G CA -0.417 44.739 45.100 0.093 0.000 0.870 232 G HN 0.021 8.339 8.290 0.046 0.000 0.528 233 Y N 1.447 121.774 120.300 0.045 0.000 2.441 233 Y HA 0.083 nan 4.550 nan 0.000 0.334 233 Y C -2.301 173.627 175.900 0.047 0.000 1.061 233 Y CA -0.237 57.898 58.100 0.058 0.000 1.032 233 Y CB 3.698 42.190 38.460 0.054 0.000 1.266 233 Y HN 0.177 8.453 8.280 0.165 0.104 0.441 234 A N 7.916 130.295 122.820 -0.735 0.000 2.291 234 A HA 0.508 nan 4.320 nan 0.000 0.311 234 A C -1.667 175.437 177.584 -0.799 0.000 1.224 234 A CA -3.556 48.134 52.037 -0.578 0.000 0.821 234 A CB 0.612 19.329 19.000 -0.473 0.000 1.172 234 A HN 0.474 8.097 8.150 -0.878 0.000 0.494 235 P HA -0.109 nan 4.420 nan 0.000 0.220 235 P C -0.776 176.586 177.300 0.103 0.000 1.152 235 P CA 1.035 64.107 63.100 -0.047 0.000 0.812 235 P CB 0.348 32.133 31.700 0.140 0.000 0.792 236 H N -5.614 113.458 119.070 0.002 0.000 2.756 236 H HA -0.317 nan 4.556 nan 0.000 0.315 236 H C -1.588 173.796 175.328 0.094 0.000 1.210 236 H CA 0.341 56.415 56.048 0.044 0.000 1.150 236 H CB -1.871 27.911 29.762 0.033 0.000 1.463 236 H HN 0.301 8.389 8.280 -0.319 0.000 0.427 237 L N -1.444 119.906 121.223 0.211 0.000 2.333 237 L HA 0.381 nan 4.340 nan 0.000 0.280 237 L C -0.882 176.126 176.870 0.230 0.000 1.004 237 L CA -0.619 54.370 54.840 0.248 0.000 0.820 237 L CB 1.743 44.015 42.059 0.355 0.000 1.247 237 L HN -0.241 8.100 8.230 0.186 0.000 0.416 238 T N -1.145 113.509 114.554 0.167 0.000 2.770 238 T HA 0.348 nan 4.350 nan 0.000 0.283 238 T C 0.074 174.825 174.700 0.085 0.000 0.988 238 T CA -2.692 59.468 62.100 0.100 0.000 0.957 238 T CB 1.113 70.029 68.868 0.080 0.000 0.930 238 T HN 0.234 8.573 8.240 0.165 0.000 0.443 239 S N 5.525 121.225 115.700 0.000 0.000 2.498 239 S HA 0.213 nan 4.470 nan 0.000 0.314 239 S C 1.720 176.353 174.600 0.055 0.000 1.141 239 S CA -1.496 56.706 58.200 0.004 0.000 1.087 239 S CB -0.533 62.570 63.200 -0.162 0.000 1.178 239 S HN 0.313 8.478 8.310 -0.053 0.113 0.533 240 L N 4.533 125.822 121.223 0.110 0.000 2.198 240 L HA -0.447 nan 4.340 nan 0.000 0.218 240 L C 0.473 177.401 176.870 0.097 0.000 1.084 240 L CA 2.738 57.643 54.840 0.108 0.000 0.779 240 L CB -1.064 41.076 42.059 0.134 0.000 0.890 240 L HN -0.063 8.458 8.230 0.138 -0.208 0.439 241 V N -6.303 113.682 119.914 0.118 0.000 2.282 241 V HA -0.314 nan 4.120 nan 0.000 0.249 241 V C 1.056 177.189 176.094 0.064 0.000 1.057 241 V CA 1.537 63.900 62.300 0.106 0.000 1.032 241 V CB -0.122 31.776 31.823 0.125 0.000 0.645 241 V HN 0.015 8.259 8.190 0.146 0.034 0.447 242 S N -0.223 115.503 115.700 0.044 0.000 2.798 242 S HA 0.286 nan 4.470 nan 0.000 0.312 242 S C 0.349 174.961 174.600 0.021 0.000 1.122 242 S CA -1.283 56.932 58.200 0.024 0.000 0.949 242 S CB 1.794 64.997 63.200 0.004 0.000 1.235 242 S HN -0.107 8.078 8.310 0.043 0.151 0.552 243 G N -0.063 108.745 108.800 0.014 0.000 2.683 243 G HA2 0.137 nan 3.960 nan 0.000 0.213 243 G HA3 0.137 nan 3.960 nan 0.000 0.213 243 G C -0.103 174.800 174.900 0.004 0.000 1.142 243 G CA 0.309 45.417 45.100 0.014 0.000 0.793 243 G HN 0.177 8.475 8.290 0.013 0.000 0.534 244 L N 0.464 121.682 121.223 -0.009 0.000 2.464 244 L HA -0.000 nan 4.340 nan 0.000 0.264 244 L C -0.917 175.917 176.870 -0.060 0.000 1.199 244 L CA 0.476 55.299 54.840 -0.028 0.000 0.818 244 L CB 0.826 42.866 42.059 -0.032 0.000 1.102 244 L HN -0.426 7.768 8.230 -0.006 0.033 0.473 245 Q N -1.929 117.830 119.800 -0.068 0.000 2.587 245 Q HA 0.305 nan 4.340 nan 0.000 0.293 245 Q C -1.501 174.428 176.000 -0.118 0.000 1.083 245 Q CA -2.109 53.649 55.803 -0.074 0.000 0.792 245 Q CB 3.496 32.249 28.738 0.025 0.000 1.484 245 Q HN -0.341 7.901 8.270 -0.047 0.000 0.446 246 Y N -0.715 119.609 120.300 0.040 0.000 2.442 246 Y HA -0.284 nan 4.550 nan 0.000 0.330 246 Y C -0.414 175.504 175.900 0.031 0.000 1.129 246 Y CA 1.275 59.402 58.100 0.046 0.000 1.365 246 Y CB 0.399 38.894 38.460 0.059 0.000 1.233 246 Y HN -0.448 7.936 8.280 0.174 0.000 0.529 247 A N 5.837 128.760 122.820 0.170 0.000 2.425 247 A HA 0.057 nan 4.320 nan 0.000 0.249 247 A C -1.343 176.305 177.584 0.106 0.000 1.084 247 A CA -0.155 51.946 52.037 0.106 0.000 0.781 247 A CB 1.142 20.200 19.000 0.096 0.000 1.019 247 A HN -0.144 8.109 8.150 0.172 0.000 0.490 248 S N 0.509 116.235 115.700 0.044 0.000 2.632 248 S HA 0.265 nan 4.470 nan 0.000 0.267 248 S C -0.588 174.052 174.600 0.067 0.000 1.276 248 S CA -0.489 57.720 58.200 0.016 0.000 0.998 248 S CB 1.292 64.443 63.200 -0.081 0.000 0.953 248 S HN -0.140 8.182 8.310 0.021 0.000 0.547 249 R N 1.048 121.599 120.500 0.085 0.000 2.360 249 R HA 0.576 nan 4.340 nan 0.000 0.318 249 R C -2.325 174.047 176.300 0.120 0.000 0.950 249 R CA -2.941 53.241 56.100 0.137 0.000 0.837 249 R CB 1.610 31.998 30.300 0.146 0.000 1.165 249 R HN 0.234 8.541 8.270 0.061 0.000 0.458 250 P HA 0.027 nan 4.420 nan 0.000 0.279 250 P C -1.469 175.863 177.300 0.053 0.000 1.282 250 P CA -0.991 62.188 63.100 0.132 0.000 0.788 250 P CB 0.564 32.386 31.700 0.203 0.000 1.139 251 E N -1.291 118.902 120.200 -0.012 0.000 2.376 251 E HA -0.291 nan 4.350 nan 0.000 0.266 251 E C 0.528 176.888 176.600 -0.399 0.000 1.009 251 E CA -0.137 56.189 56.400 -0.124 0.000 0.902 251 E CB -0.999 28.669 29.700 -0.054 0.000 0.972 251 E HN -0.031 8.347 8.360 0.030 0.000 0.439 252 G N 5.869 114.377 108.800 -0.486 0.000 2.540 252 G HA2 -0.432 nan 3.960 nan 0.000 0.260 252 G HA3 -0.432 nan 3.960 nan 0.000 0.260 252 G C -1.870 172.549 174.900 -0.801 0.000 0.993 252 G CA 0.777 45.589 45.100 -0.480 0.000 1.327 252 G HN 0.191 8.273 8.290 -0.347 0.000 0.485 253 Y N -1.091 119.239 120.300 0.050 0.000 2.504 253 Y HA 0.194 nan 4.550 nan 0.000 0.344 253 Y C -0.987 174.904 175.900 -0.014 0.000 1.023 253 Y CA -3.729 54.404 58.100 0.056 0.000 1.020 253 Y CB 1.643 40.183 38.460 0.132 0.000 1.282 253 Y HN -0.628 7.152 8.280 -0.833 0.000 0.454 254 S N -0.383 115.385 115.700 0.113 0.000 2.569 254 S HA -0.027 nan 4.470 nan 0.000 0.274 254 S C -0.990 173.537 174.600 -0.121 0.000 1.353 254 S CA 0.038 58.272 58.200 0.056 0.000 1.023 254 S CB 0.771 64.024 63.200 0.089 0.000 0.876 254 S HN 0.176 8.577 8.310 0.152 0.000 0.540 255 I N 1.483 122.021 120.570 -0.053 0.000 2.634 255 I HA -0.061 nan 4.170 nan 0.000 0.284 255 I C -1.570 174.482 176.117 -0.108 0.000 1.124 255 I CA -0.443 60.791 61.300 -0.109 0.000 1.417 255 I CB 0.816 38.892 38.000 0.127 0.000 1.396 255 I HN 0.233 8.474 8.210 0.051 0.000 0.571 256 H N 6.770 125.897 119.070 0.095 0.000 2.495 256 H HA 0.249 nan 4.556 nan 0.000 0.348 256 H C -1.219 174.121 175.328 0.021 0.000 1.113 256 H CA -1.453 54.623 56.048 0.048 0.000 1.195 256 H CB 2.015 31.801 29.762 0.040 0.000 1.521 256 H HN 0.180 8.385 8.280 -0.125 0.000 0.509 257 D N 2.484 122.949 120.400 0.108 0.000 2.399 257 D HA 0.122 nan 4.640 nan 0.000 0.241 257 D C -0.623 175.696 176.300 0.031 0.000 1.133 257 D CA 0.654 54.665 54.000 0.019 0.000 0.890 257 D CB 0.646 41.432 40.800 -0.024 0.000 1.201 257 D HN 0.202 8.650 8.370 0.130 0.000 0.432 258 L N 0.732 121.955 121.223 0.000 0.000 2.304 258 L HA 0.334 nan 4.340 nan 0.000 0.268 258 L C 0.144 177.008 176.870 -0.010 0.000 1.010 258 L CA -1.354 53.500 54.840 0.023 0.000 0.813 258 L CB 2.424 44.526 42.059 0.070 0.000 1.315 258 L HN 0.639 8.844 8.230 -0.043 0.000 0.445 259 S N 0.482 116.186 115.700 0.007 0.000 2.368 259 S HA -0.255 nan 4.470 nan 0.000 0.225 259 S C 0.937 175.534 174.600 -0.005 0.000 1.030 259 S CA 3.307 61.503 58.200 -0.006 0.000 0.999 259 S CB 0.178 63.378 63.200 -0.001 0.000 0.844 259 S HN 1.049 9.372 8.310 0.022 0.000 0.459 260 D N -1.705 118.721 120.400 0.044 0.000 2.117 260 D HA -0.044 nan 4.640 nan 0.000 0.198 260 D C -0.930 175.266 176.300 -0.174 0.000 0.982 260 D CA 1.761 55.807 54.000 0.076 0.000 0.828 260 D CB 0.550 41.599 40.800 0.415 0.000 0.967 260 D HN 0.150 8.569 8.370 0.080 -0.002 0.464 261 V N -3.592 116.149 119.914 -0.288 0.000 2.932 261 V HA 0.198 nan 4.120 nan 0.000 0.307 261 V C -2.245 173.668 176.094 -0.301 0.000 1.147 261 V CA -1.714 60.303 62.300 -0.473 0.000 0.951 261 V CB 4.203 35.426 31.823 -1.001 0.000 1.031 261 V HN -0.671 7.330 8.190 -0.153 0.097 0.426 262 D N 2.912 123.123 120.400 -0.315 0.000 2.358 262 D HA 0.309 nan 4.640 nan 0.000 0.244 262 D C 0.980 177.083 176.300 -0.329 0.000 1.163 262 D CA 0.309 54.144 54.000 -0.275 0.000 0.945 262 D CB 1.625 42.265 40.800 -0.266 0.000 1.152 262 D HN -0.132 8.030 8.370 -0.347 0.000 0.451 263 V N 1.451 121.209 119.914 -0.260 0.000 2.535 263 V HA -0.124 nan 4.120 nan 0.000 0.246 263 V C 1.473 177.311 176.094 -0.427 0.000 1.045 263 V CA 3.706 65.825 62.300 -0.303 0.000 1.058 263 V CB -0.099 31.621 31.823 -0.172 0.000 0.689 263 V HN 0.398 8.726 8.190 -0.201 -0.259 0.461 264 Q N -1.279 118.306 119.800 -0.359 0.000 2.378 264 Q HA -0.256 nan 4.340 nan 0.000 0.205 264 Q C 2.060 177.766 176.000 -0.491 0.000 0.954 264 Q CA 2.821 58.404 55.803 -0.365 0.000 0.901 264 Q CB -0.342 28.245 28.738 -0.252 0.000 0.981 264 Q HN -0.153 8.338 8.270 -0.291 -0.396 0.483 265 D N 1.753 121.783 120.400 -0.616 0.000 2.088 265 D HA -0.329 nan 4.640 nan 0.000 0.191 265 D C 1.913 177.375 176.300 -1.397 0.000 0.992 265 D CA 3.503 56.867 54.000 -1.060 0.000 0.831 265 D CB -0.378 39.768 40.800 -1.090 0.000 0.973 265 D HN -0.235 8.104 8.370 -0.501 -0.270 0.447 266 M N -0.987 118.038 119.600 -0.958 0.000 2.073 266 M HA -0.378 nan 4.480 nan 0.000 0.258 266 M C 2.469 178.531 176.300 -0.397 0.000 1.070 266 M CA 3.060 58.062 55.300 -0.497 0.000 1.103 266 M CB -0.611 31.756 32.600 -0.387 0.000 1.321 266 M HN -0.657 7.110 8.290 -0.785 0.052 0.405 267 V N -1.900 117.645 119.914 -0.614 0.000 2.287 267 V HA -0.518 nan 4.120 nan 0.000 0.248 267 V C 1.764 177.727 176.094 -0.218 0.000 1.053 267 V CA 4.456 66.495 62.300 -0.434 0.000 1.027 267 V CB -1.404 30.176 31.823 -0.405 0.000 0.646 267 V HN 0.427 8.212 8.190 -0.674 0.000 0.447 268 R N -1.073 119.243 120.500 -0.308 0.000 2.080 268 R HA -0.337 nan 4.340 nan 0.000 0.236 268 R C 1.958 178.228 176.300 -0.050 0.000 1.137 268 R CA 3.110 59.087 56.100 -0.204 0.000 0.943 268 R CB -0.769 29.372 30.300 -0.266 0.000 0.846 268 R HN -0.562 7.437 8.270 -0.451 0.000 0.431 269 W N -0.883 120.372 121.300 -0.075 0.000 2.290 269 W HA -0.346 nan 4.660 nan 0.000 0.323 269 W C 2.321 178.849 176.519 0.015 0.000 1.260 269 W CA 1.553 58.872 57.345 -0.043 0.000 1.266 269 W CB -1.213 28.262 29.460 0.025 0.000 1.149 269 W HN -0.272 7.646 8.180 -0.438 0.000 0.482 270 R N -1.798 118.878 120.500 0.294 0.000 2.103 270 R HA -0.473 nan 4.340 nan 0.000 0.242 270 R C 1.990 178.374 176.300 0.140 0.000 1.142 270 R CA 3.628 59.879 56.100 0.253 0.000 0.960 270 R CB -0.354 30.159 30.300 0.354 0.000 0.858 270 R HN -0.208 8.231 8.270 0.283 0.000 0.439 271 E N -1.744 118.511 120.200 0.093 0.000 2.106 271 E HA -0.242 nan 4.350 nan 0.000 0.192 271 E C 2.687 179.322 176.600 0.058 0.000 0.984 271 E CA 2.528 58.964 56.400 0.059 0.000 0.806 271 E CB -0.691 29.028 29.700 0.032 0.000 0.750 271 E HN -0.481 7.832 8.360 0.075 0.092 0.458 272 R N -0.302 120.230 120.500 0.053 0.000 2.080 272 R HA -0.317 nan 4.340 nan 0.000 0.236 272 R C 2.616 178.989 176.300 0.121 0.000 1.137 272 R CA 3.432 59.550 56.100 0.030 0.000 0.943 272 R CB -0.156 30.012 30.300 -0.219 0.000 0.846 272 R HN -0.169 8.133 8.270 0.053 0.000 0.431 273 I N -0.503 120.136 120.570 0.115 0.000 2.142 273 I HA -0.498 nan 4.170 nan 0.000 0.240 273 I C 1.921 178.025 176.117 -0.021 0.000 1.078 273 I CA 4.082 65.403 61.300 0.034 0.000 1.343 273 I CB -0.187 37.801 38.000 -0.019 0.000 1.046 273 I HN -0.300 7.978 8.210 0.114 0.000 0.405 274 L N -2.161 119.055 121.223 -0.012 0.000 2.131 274 L HA -0.463 nan 4.340 nan 0.000 0.210 274 L C 2.075 178.935 176.870 -0.017 0.000 1.092 274 L CA 2.983 57.804 54.840 -0.032 0.000 0.759 274 L CB -0.872 41.176 42.059 -0.018 0.000 0.903 274 L HN -0.205 8.036 8.230 0.019 0.000 0.435 275 D N -0.328 120.079 120.400 0.012 0.000 2.097 275 D HA -0.295 nan 4.640 nan 0.000 0.197 275 D C 1.765 178.043 176.300 -0.035 0.000 0.984 275 D CA 3.934 57.939 54.000 0.009 0.000 0.826 275 D CB 0.116 40.946 40.800 0.050 0.000 0.973 275 D HN 0.125 8.308 8.370 0.034 0.207 0.460 276 A N -0.826 121.983 122.820 -0.018 0.000 2.015 276 A HA -0.174 nan 4.320 nan 0.000 0.219 276 A C 2.127 179.630 177.584 -0.136 0.000 1.163 276 A CA 2.898 54.879 52.037 -0.094 0.000 0.646 276 A CB -0.620 18.412 19.000 0.053 0.000 0.806 276 A HN -0.077 8.011 8.150 0.039 0.085 0.448 277 I N -1.622 118.893 120.570 -0.091 0.000 2.099 277 I HA -0.685 nan 4.170 nan 0.000 0.239 277 I C 2.591 178.606 176.117 -0.171 0.000 1.066 277 I CA 4.336 65.578 61.300 -0.097 0.000 1.324 277 I CB -0.405 37.560 38.000 -0.058 0.000 1.037 277 I HN -0.133 8.026 8.210 -0.070 0.009 0.401 278 N N 0.399 119.052 118.700 -0.079 0.000 2.036 278 N HA -0.343 nan 4.740 nan 0.000 0.195 278 N C 2.458 178.037 175.510 0.115 0.000 1.037 278 N CA 3.123 56.179 53.050 0.010 0.000 0.855 278 N CB -0.296 38.192 38.487 0.003 0.000 1.033 278 N HN -0.605 7.736 8.380 -0.066 0.000 0.423 279 M N -2.303 117.276 119.600 -0.034 0.000 2.539 279 M HA -0.285 nan 4.480 nan 0.000 0.261 279 M C -0.574 175.752 176.300 0.043 0.000 1.069 279 M CA 2.438 57.675 55.300 -0.106 0.000 1.081 279 M CB -0.203 32.064 32.600 -0.555 0.000 1.412 279 M HN 0.259 8.490 8.290 -0.099 0.000 0.482 280 H N -6.896 112.097 119.070 -0.130 0.000 2.921 280 H HA -0.396 nan 4.556 nan 0.000 0.281 280 H C -1.412 173.971 175.328 0.092 0.000 1.165 280 H CA 1.640 57.675 56.048 -0.021 0.000 1.151 280 H CB -3.047 26.706 29.762 -0.016 0.000 1.311 280 H HN -0.352 7.721 8.280 0.012 0.214 0.361 281 Y N -7.880 112.505 120.300 0.143 0.000 2.609 281 Y HA 0.812 nan 4.550 nan 0.000 0.336 281 Y C -2.854 173.127 175.900 0.135 0.000 1.129 281 Y CA -2.392 55.781 58.100 0.122 0.000 1.040 281 Y CB 2.978 41.502 38.460 0.108 0.000 1.310 281 Y HN -0.617 7.394 8.280 -0.389 0.036 0.460 282 I N -4.484 116.307 120.570 0.369 0.000 2.846 282 I HA 0.747 nan 4.170 nan 0.000 0.307 282 I C -1.544 174.858 176.117 0.474 0.000 1.053 282 I CA -2.531 58.986 61.300 0.362 0.000 1.050 282 I CB 4.187 42.273 38.000 0.143 0.000 1.239 282 I HN 0.471 8.895 8.210 0.357 0.000 0.439 283 V N -2.442 117.797 119.914 0.541 0.000 2.427 283 V HA 0.482 nan 4.120 nan 0.000 0.286 283 V C -0.722 175.558 176.094 0.311 0.000 1.034 283 V CA -2.201 60.303 62.300 0.340 0.000 0.893 283 V CB 0.030 31.966 31.823 0.189 0.000 0.982 283 V HN 0.296 8.956 8.190 0.782 0.000 0.452 284 D N 5.256 125.769 120.400 0.187 0.000 2.433 284 D HA 0.274 nan 4.640 nan 0.000 0.255 284 D C 1.950 178.316 176.300 0.110 0.000 1.226 284 D CA -1.015 53.078 54.000 0.155 0.000 1.015 284 D CB 1.581 42.441 40.800 0.100 0.000 1.091 284 D HN 0.525 8.874 8.370 0.144 0.107 0.527 285 K N 0.624 121.080 120.400 0.094 0.000 2.097 285 K HA -0.290 nan 4.320 nan 0.000 0.206 285 K C 0.867 177.488 176.600 0.035 0.000 1.049 285 K CA 2.890 59.215 56.287 0.063 0.000 0.933 285 K CB -0.535 32.000 32.500 0.059 0.000 0.717 285 K HN 0.257 8.569 8.250 0.103 0.000 0.442 286 D N -5.405 115.016 120.400 0.035 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.173 176.133 176.300 0.008 0.000 0.968 286 D CA 0.106 54.118 54.000 0.019 0.000 0.894 286 D CB -1.078 39.733 40.800 0.019 0.000 0.909 286 D HN -0.331 8.041 8.370 0.046 0.025 0.520 287 N N -3.088 115.620 118.700 0.012 0.000 2.901 287 N HA -0.461 nan 4.740 nan 0.000 0.248 287 N C -1.353 174.153 175.510 -0.006 0.000 1.044 287 N CA 1.223 54.270 53.050 -0.006 0.000 0.847 287 N CB -1.492 36.980 38.487 -0.026 0.000 1.127 287 N HN 0.103 8.273 8.380 0.030 0.228 0.562 288 N N -0.879 117.827 118.700 0.011 0.000 2.463 288 N HA 0.134 nan 4.740 nan 0.000 0.270 288 N C -1.305 174.215 175.510 0.017 0.000 1.205 288 N CA 0.133 53.182 53.050 -0.002 0.000 0.974 288 N CB 1.716 40.206 38.487 0.004 0.000 1.197 288 N HN 0.030 8.748 8.380 0.029 -0.321 0.504 289 K N 0.407 120.793 120.400 -0.023 0.000 2.182 289 K HA 0.664 nan 4.320 nan 0.000 0.262 289 K C -1.011 175.620 176.600 0.052 0.000 0.957 289 K CA -0.873 55.418 56.287 0.007 0.000 0.842 289 K CB 1.345 33.701 32.500 -0.239 0.000 1.099 289 K HN 0.021 8.241 8.250 -0.050 0.000 0.438 290 I N -0.775 119.875 120.570 0.133 0.000 2.474 290 I HA 0.620 nan 4.170 nan 0.000 0.294 290 I C -2.376 173.837 176.117 0.159 0.000 1.005 290 I CA -3.529 57.832 61.300 0.102 0.000 1.113 290 I CB 2.188 40.233 38.000 0.075 0.000 1.289 290 I HN 0.572 8.904 8.210 0.204 0.000 0.436 291 P HA 0.190 nan 4.420 nan 0.000 0.275 291 P C -0.981 176.429 177.300 0.183 0.000 1.228 291 P CA -0.587 62.621 63.100 0.180 0.000 0.786 291 P CB 0.301 32.088 31.700 0.146 0.000 0.927 292 L N 3.389 124.745 121.223 0.221 0.000 2.387 292 L HA -0.041 nan 4.340 nan 0.000 0.267 292 L C -0.525 176.554 176.870 0.349 0.000 1.197 292 L CA -0.714 54.294 54.840 0.281 0.000 1.070 292 L CB -1.192 41.085 42.059 0.364 0.000 1.349 292 L HN 0.112 8.481 8.230 0.231 0.000 0.422 293 D N 4.339 124.937 120.400 0.331 0.000 2.357 293 D HA 0.000 nan 4.640 nan 0.000 0.242 293 D C 1.064 177.647 176.300 0.472 0.000 1.153 293 D CA -0.597 53.618 54.000 0.359 0.000 0.918 293 D CB 2.216 43.247 40.800 0.385 0.000 1.181 293 D HN -0.402 8.100 8.370 0.275 0.033 0.435 294 I N 2.618 123.472 120.570 0.473 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.465 177.662 176.117 0.134 0.000 1.100 294 I CA 3.501 65.085 61.300 0.473 0.000 1.374 294 I CB 0.036 38.258 38.000 0.371 0.000 1.057 294 I HN 0.147 8.588 8.210 0.386 0.000 0.413 295 E N -1.320 118.947 120.200 0.110 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.585 178.097 176.600 -0.148 0.000 0.988 295 E CA 2.583 58.934 56.400 -0.082 0.000 0.799 295 E CB -0.147 29.413 29.700 -0.232 0.000 0.755 295 E HN 0.310 8.929 8.360 0.188 -0.146 0.447 296 H N -2.102 117.018 119.070 0.083 0.000 2.470 296 H HA -0.012 nan 4.556 nan 0.000 0.289 296 H C 1.854 177.218 175.328 0.060 0.000 1.033 296 H CA 1.587 57.675 56.048 0.068 0.000 1.331 296 H CB -0.282 29.526 29.762 0.076 0.000 1.414 296 H HN -0.054 8.353 8.280 0.212 0.000 0.545 297 G N -0.995 107.946 108.800 0.235 0.000 2.476 297 G HA2 -0.411 nan 3.960 nan 0.000 0.218 297 G HA3 -0.411 nan 3.960 nan 0.000 0.218 297 G C 0.723 175.556 174.900 -0.112 0.000 1.164 297 G CA 2.709 47.916 45.100 0.178 0.000 0.768 297 G HN 0.331 8.654 8.290 0.276 0.132 0.560 298 T N 3.313 117.817 114.554 -0.085 0.000 2.746 298 T HA -0.328 nan 4.350 nan 0.000 0.267 298 T C 1.751 176.430 174.700 -0.035 0.000 1.039 298 T CA 4.950 66.969 62.100 -0.135 0.000 1.142 298 T CB -0.539 68.253 68.868 -0.127 0.000 0.866 298 T HN -0.051 8.177 8.240 -0.019 0.000 0.444 299 D N 1.923 122.327 120.400 0.005 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.949 176.300 0.042 0.000 0.989 299 D CA 2.935 56.962 54.000 0.046 0.000 0.827 299 D CB -0.326 40.509 40.800 0.059 0.000 0.966 299 D HN -0.447 7.906 8.370 0.008 0.021 0.456 300 I N -2.714 117.869 120.570 0.022 0.000 2.226 300 I HA -0.380 nan 4.170 nan 0.000 0.245 300 I C 1.672 177.747 176.117 -0.071 0.000 1.100 300 I CA 3.364 64.659 61.300 -0.008 0.000 1.374 300 I CB -0.287 37.711 38.000 -0.004 0.000 1.057 300 I HN -0.509 7.723 8.210 0.036 0.000 0.413 301 L N 0.419 121.571 121.223 -0.117 0.000 2.093 301 L HA -0.212 nan 4.340 nan 0.000 0.208 301 L C 1.870 178.741 176.870 0.002 0.000 1.085 301 L CA 2.736 57.477 54.840 -0.164 0.000 0.755 301 L CB -0.655 41.236 42.059 -0.280 0.000 0.904 301 L HN -0.108 7.957 8.230 -0.128 0.088 0.435 302 G N -2.412 106.488 108.800 0.167 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.616 175.547 174.900 0.053 0.000 1.158 302 G CA 2.611 47.885 45.100 0.290 0.000 0.771 302 G HN 0.289 8.527 8.290 0.111 0.119 0.545 303 D N 1.232 121.637 120.400 0.009 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.372 178.629 176.300 -0.071 0.000 0.978 303 D CA 2.834 56.815 54.000 -0.032 0.000 0.833 303 D CB -0.478 40.325 40.800 0.004 0.000 0.961 303 D HN -0.274 8.115 8.370 0.031 0.000 0.470 304 I N -0.004 120.506 120.570 -0.099 0.000 2.286 304 I HA -0.359 nan 4.170 nan 0.000 0.245 304 I C 1.733 177.781 176.117 -0.116 0.000 1.104 304 I CA 3.655 64.867 61.300 -0.146 0.000 1.397 304 I CB 0.054 37.856 38.000 -0.330 0.000 1.072 304 I HN -0.716 7.434 8.210 -0.100 0.000 0.417 305 I N -0.923 119.589 120.570 -0.096 0.000 2.252 305 I HA -0.417 nan 4.170 nan 0.000 0.245 305 I C 1.086 177.209 176.117 0.011 0.000 1.102 305 I CA 1.713 62.997 61.300 -0.026 0.000 1.385 305 I CB -0.312 37.687 38.000 -0.003 0.000 1.064 305 I HN 0.008 8.164 8.210 -0.091 0.000 0.414 306 E N -0.489 119.603 120.200 -0.179 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.977 175.599 176.600 -0.039 0.000 1.003 306 E CA 3.880 60.066 56.400 -0.357 0.000 0.809 306 E CB 0.091 29.356 29.700 -0.724 0.000 0.755 306 E HN -0.440 7.797 8.360 -0.205 0.000 0.449 307 S N -3.895 111.766 115.700 -0.065 0.000 2.638 307 S HA 0.440 nan 4.470 nan 0.000 0.298 307 S C -0.615 173.937 174.600 -0.081 0.000 1.111 307 S CA -2.033 56.106 58.200 -0.102 0.000 1.027 307 S CB 2.395 65.548 63.200 -0.079 0.000 1.064 307 S HN -0.729 7.547 8.310 -0.056 0.000 0.525 308 S N 0.453 116.116 115.700 -0.062 0.000 2.738 308 S HA 0.441 nan 4.470 nan 0.000 0.284 308 S C 1.171 175.778 174.600 0.012 0.000 1.146 308 S CA -0.975 57.220 58.200 -0.007 0.000 0.997 308 S CB 2.199 65.415 63.200 0.026 0.000 1.081 308 S HN 0.626 8.776 8.310 -0.071 0.118 0.553 309 D N 1.595 122.019 120.400 0.040 0.000 2.219 309 D HA -0.142 nan 4.640 nan 0.000 0.205 309 D C 0.448 176.774 176.300 0.043 0.000 0.970 309 D CA 2.492 56.514 54.000 0.036 0.000 0.851 309 D CB -0.360 40.461 40.800 0.035 0.000 0.943 309 D HN 0.304 8.709 8.370 0.058 0.000 0.488 310 E N -2.667 117.568 120.200 0.058 0.000 2.338 310 E HA -0.115 nan 4.350 nan 0.000 0.197 310 E C -0.082 176.546 176.600 0.046 0.000 1.007 310 E CA 0.648 57.085 56.400 0.063 0.000 0.849 310 E CB 0.155 29.903 29.700 0.081 0.000 0.774 310 E HN -0.634 7.712 8.360 0.065 0.053 0.506 311 S N -1.293 114.425 115.700 0.030 0.000 2.593 311 S HA -0.252 nan 4.470 nan 0.000 0.300 311 S C 0.595 175.233 174.600 0.064 0.000 1.267 311 S CA 0.149 58.365 58.200 0.027 0.000 1.065 311 S CB 0.504 63.718 63.200 0.023 0.000 0.807 311 S HN -0.726 7.431 8.310 0.024 0.168 0.499 312 K N 3.846 124.289 120.400 0.073 0.000 2.148 312 K HA -0.238 nan 4.320 nan 0.000 0.204 312 K C -0.242 176.465 176.600 0.179 0.000 1.050 312 K CA 2.112 58.466 56.287 0.112 0.000 0.942 312 K CB 0.453 33.017 32.500 0.107 0.000 0.724 312 K HN -0.079 8.327 8.250 0.029 -0.139 0.446 313 N N -3.246 115.624 118.700 0.283 0.000 2.549 313 N HA 0.164 nan 4.740 nan 0.000 0.281 313 N C 0.279 175.955 175.510 0.277 0.000 1.084 313 N CA -1.169 52.065 53.050 0.306 0.000 0.862 313 N CB 1.511 40.235 38.487 0.395 0.000 1.333 313 N HN -0.740 7.819 8.380 0.298 0.000 0.523 314 V N 0.842 120.842 119.914 0.144 0.000 2.453 314 V HA -0.101 nan 4.120 nan 0.000 0.247 314 V C 1.104 177.231 176.094 0.054 0.000 1.048 314 V CA 2.512 64.857 62.300 0.075 0.000 1.049 314 V CB -0.233 31.618 31.823 0.046 0.000 0.672 314 V HN 0.476 8.741 8.190 0.125 0.000 0.457 315 E N 0.796 121.052 120.200 0.093 0.000 2.060 315 E HA -0.354 nan 4.350 nan 0.000 0.189 315 E C 1.547 178.239 176.600 0.154 0.000 0.974 315 E CA 2.292 58.760 56.400 0.113 0.000 0.808 315 E CB -0.281 29.484 29.700 0.109 0.000 0.768 315 E HN -0.429 8.174 8.360 0.111 -0.176 0.453 316 Y N 0.754 121.028 120.300 -0.043 0.000 2.089 316 Y HA -0.400 nan 4.550 nan 0.000 0.282 316 Y C 2.073 177.871 175.900 -0.171 0.000 1.139 316 Y CA 2.734 60.733 58.100 -0.169 0.000 1.123 316 Y CB 0.291 38.498 38.460 -0.422 0.000 0.980 316 Y HN -0.286 8.436 8.280 0.181 -0.333 0.493 317 Y N -4.002 116.219 120.300 -0.133 0.000 2.337 317 Y HA -0.212 nan 4.550 nan 0.000 0.293 317 Y C 0.397 175.967 175.900 -0.549 0.000 1.123 317 Y CA 2.397 60.309 58.100 -0.313 0.000 1.201 317 Y CB 0.634 38.970 38.460 -0.207 0.000 1.011 317 Y HN -0.812 7.439 8.280 -0.048 0.000 0.545 318 G N -2.716 105.793 108.800 -0.485 0.000 2.568 318 G HA2 -0.305 nan 3.960 nan 0.000 0.222 318 G HA3 -0.305 nan 3.960 nan 0.000 0.222 318 G C -2.497 172.016 174.900 -0.645 0.000 1.321 318 G CA -0.076 44.376 45.100 -1.079 0.000 0.893 318 G HN -0.295 7.769 8.290 -0.188 0.113 0.569 319 S N -2.008 113.300 115.700 -0.654 0.000 2.389 319 S HA 0.164 nan 4.470 nan 0.000 0.201 319 S C 0.095 174.735 174.600 0.067 0.000 1.422 319 S CA -1.534 56.549 58.200 -0.195 0.000 1.216 319 S CB 0.918 64.004 63.200 -0.191 0.000 1.130 319 S HN -0.106 7.518 8.310 -1.144 0.000 0.465 320 L N 5.976 127.303 121.223 0.173 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.535 177.751 176.870 0.578 0.000 1.071 320 L CA 2.828 57.968 54.840 0.500 0.000 0.745 320 L CB 0.007 42.390 42.059 0.541 0.000 0.892 320 L HN 0.344 8.616 8.230 0.069 0.000 0.431 321 H N -0.365 118.961 119.070 0.427 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.216 177.687 175.328 0.238 0.000 1.082 321 H CA 4.397 60.759 56.048 0.523 0.000 1.308 321 H CB 0.078 30.097 29.762 0.428 0.000 1.375 321 H HN -0.243 8.318 8.280 0.469 0.000 0.495 322 N N -0.851 117.996 118.700 0.245 0.000 2.120 322 N HA -0.336 nan 4.740 nan 0.000 0.188 322 N C 2.318 177.734 175.510 -0.157 0.000 1.024 322 N CA 3.011 56.109 53.050 0.081 0.000 0.852 322 N CB -0.528 37.989 38.487 0.050 0.000 1.003 322 N HN -0.234 8.335 8.380 0.316 0.000 0.424 323 W N -0.785 120.512 121.300 -0.004 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.841 178.226 176.519 -0.224 0.000 1.218 323 W CA 2.858 60.190 57.345 -0.021 0.000 1.245 323 W CB -0.205 29.337 29.460 0.137 0.000 1.126 323 W HN -0.206 8.028 8.180 0.090 0.000 0.545 324 G N -2.009 106.592 108.800 -0.332 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.995 175.321 174.900 -0.957 0.000 1.158 324 G CA 2.235 46.685 45.100 -1.083 0.000 0.771 324 G HN 0.192 8.289 8.290 -0.178 0.086 0.545 325 H N 2.285 120.806 119.070 -0.916 0.000 2.353 325 H HA -0.212 nan 4.556 nan 0.000 0.300 325 H C 2.551 177.686 175.328 -0.321 0.000 1.090 325 H CA 3.972 59.579 56.048 -0.735 0.000 1.327 325 H CB 0.124 29.165 29.762 -1.201 0.000 1.383 325 H HN -0.626 7.112 8.280 -0.704 0.120 0.508 326 V N 0.149 120.046 119.914 -0.028 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.116 178.271 176.094 0.102 0.000 1.049 326 V CA 4.688 67.064 62.300 0.127 0.000 1.024 326 V CB -0.750 31.250 31.823 0.296 0.000 0.648 326 V HN -0.325 7.711 8.190 -0.070 0.112 0.447 327 M N -2.327 117.307 119.600 0.058 0.000 2.117 327 M HA -0.335 nan 4.480 nan 0.000 0.262 327 M C 1.808 178.081 176.300 -0.045 0.000 1.065 327 M CA 3.565 58.885 55.300 0.032 0.000 1.114 327 M CB -0.006 32.598 32.600 0.008 0.000 1.361 327 M HN 0.056 8.263 8.290 0.039 0.106 0.408 328 M N -2.105 117.388 119.600 -0.177 0.000 2.175 328 M HA -0.168 nan 4.480 nan 0.000 0.264 328 M C 2.670 178.932 176.300 -0.063 0.000 1.063 328 M CA 2.641 57.826 55.300 -0.191 0.000 1.119 328 M CB 0.466 32.852 32.600 -0.357 0.000 1.377 328 M HN -0.388 7.736 8.290 -0.277 0.000 0.415 329 A N -1.196 121.611 122.820 -0.022 0.000 1.933 329 A HA -0.241 nan 4.320 nan 0.000 0.218 329 A C 0.668 178.307 177.584 0.092 0.000 1.175 329 A CA 2.879 54.952 52.037 0.059 0.000 0.628 329 A CB -0.289 18.770 19.000 0.099 0.000 0.814 329 A HN 0.246 8.276 8.150 -0.053 0.088 0.444 330 N N -4.198 114.557 118.700 0.092 0.000 2.538 330 N HA 0.065 nan 4.740 nan 0.000 0.291 330 N C 0.165 175.745 175.510 0.117 0.000 1.323 330 N CA -1.761 51.359 53.050 0.116 0.000 0.934 330 N CB -0.839 37.725 38.487 0.129 0.000 1.255 330 N HN -0.448 7.980 8.380 0.080 0.000 0.509 331 I N 0.970 121.603 120.570 0.106 0.000 2.286 331 I HA -0.336 nan 4.170 nan 0.000 0.248 331 I C 0.351 176.556 176.117 0.148 0.000 1.115 331 I CA 2.518 63.892 61.300 0.123 0.000 1.392 331 I CB 0.130 38.209 38.000 0.132 0.000 1.065 331 I HN -0.732 7.444 8.210 0.087 0.086 0.418 332 T N -1.412 113.224 114.554 0.137 0.000 2.788 332 T HA -0.244 nan 4.350 nan 0.000 0.268 332 T C -0.296 174.500 174.700 0.161 0.000 1.044 332 T CA 2.632 64.800 62.100 0.114 0.000 1.139 332 T CB -0.189 68.750 68.868 0.118 0.000 0.867 332 T HN 0.128 8.416 8.240 0.136 0.033 0.454 333 D N -1.137 119.362 120.400 0.166 0.000 2.621 333 D HA 0.469 nan 4.640 nan 0.000 0.274 333 D C -0.986 175.369 176.300 0.092 0.000 1.215 333 D CA -3.097 50.998 54.000 0.158 0.000 0.810 333 D CB 0.477 41.384 40.800 0.178 0.000 1.248 333 D HN -0.847 7.518 8.370 0.148 0.095 0.517 334 P HA -0.261 nan 4.420 nan 0.000 0.215 334 P C 0.563 177.888 177.300 0.042 0.000 1.153 334 P CA 2.018 65.172 63.100 0.091 0.000 0.853 334 P CB 0.596 32.375 31.700 0.132 0.000 0.788 335 D N -4.783 115.592 120.400 -0.042 0.000 2.277 335 D HA -0.207 nan 4.640 nan 0.000 0.208 335 D C 0.060 176.355 176.300 -0.009 0.000 0.962 335 D CA 0.417 54.372 54.000 -0.076 0.000 0.865 335 D CB 0.356 41.035 40.800 -0.202 0.000 0.939 335 D HN -0.319 8.064 8.370 -0.097 -0.071 0.510 336 H N -2.701 116.280 119.070 -0.149 0.000 3.863 336 H HA -0.255 nan 4.556 nan 0.000 0.160 336 H C 0.640 175.868 175.328 -0.166 0.000 0.870 336 H CA 1.846 57.831 56.048 -0.104 0.000 1.247 336 H CB -1.389 28.344 29.762 -0.048 0.000 0.921 336 H HN -0.432 7.982 8.280 -0.059 -0.170 0.421 337 R N -1.480 118.821 120.500 -0.330 0.000 2.103 337 R HA -0.298 nan 4.340 nan 0.000 0.242 337 R C 0.635 176.747 176.300 -0.313 0.000 1.142 337 R CA 2.728 58.592 56.100 -0.392 0.000 0.960 337 R CB -0.814 29.186 30.300 -0.499 0.000 0.858 337 R HN 0.025 8.120 8.270 -0.346 -0.032 0.439 338 F N -1.064 118.824 119.950 -0.104 0.000 2.661 338 F HA 0.003 nan 4.527 nan 0.000 0.298 338 F C -0.141 175.582 175.800 -0.127 0.000 1.137 338 F CA -0.309 57.635 58.000 -0.094 0.000 1.454 338 F CB 0.058 39.019 39.000 -0.064 0.000 1.103 338 F HN -0.624 7.694 8.300 -0.592 -0.373 0.577 339 Q N -5.382 114.349 119.800 -0.114 0.000 2.470 339 Q HA -0.461 nan 4.340 nan 0.000 0.290 339 Q C -1.065 174.899 176.000 -0.060 0.000 1.353 339 Q CA 0.874 56.549 55.803 -0.214 0.000 0.787 339 Q CB -2.740 25.900 28.738 -0.162 0.000 1.158 339 Q HN -0.291 7.973 8.270 -0.227 -0.130 0.426 340 E N -1.505 118.698 120.200 0.004 0.000 2.221 340 E HA 0.214 nan 4.350 nan 0.000 0.268 340 E C -1.205 175.432 176.600 0.062 0.000 0.933 340 E CA -1.179 55.250 56.400 0.048 0.000 0.809 340 E CB 1.795 31.546 29.700 0.085 0.000 1.190 340 E HN -0.579 7.784 8.360 0.005 0.000 0.406 341 N N 1.914 120.641 118.700 0.045 0.000 2.467 341 N HA 0.250 nan 4.740 nan 0.000 0.262 341 N C -1.264 174.298 175.510 0.086 0.000 1.234 341 N CA -1.390 51.685 53.050 0.042 0.000 0.952 341 N CB -0.353 38.110 38.487 -0.040 0.000 1.158 341 N HN 0.258 8.656 8.380 0.029 0.000 0.463 342 P HA 0.026 nan 4.420 nan 0.000 0.274 342 P C -0.769 176.683 177.300 0.254 0.000 1.256 342 P CA -0.429 62.766 63.100 0.159 0.000 0.795 342 P CB 0.876 32.661 31.700 0.142 0.000 1.038 343 G N -1.239 107.704 108.800 0.238 0.000 2.535 343 G HA2 0.196 nan 3.960 nan 0.000 0.282 343 G HA3 0.196 nan 3.960 nan 0.000 0.282 343 G C 0.550 175.598 174.900 0.247 0.000 1.350 343 G CA -1.605 43.652 45.100 0.261 0.000 1.039 343 G HN -0.261 8.030 8.290 0.178 0.107 0.509 344 V N -5.557 114.375 119.914 0.030 0.000 2.720 344 V HA -0.328 nan 4.120 nan 0.000 0.256 344 V C 1.858 177.954 176.094 0.004 0.000 1.082 344 V CA 2.804 64.976 62.300 -0.215 0.000 1.101 344 V CB -0.419 31.281 31.823 -0.205 0.000 0.693 344 V HN 0.547 8.786 8.190 0.080 0.000 0.479 345 M N 0.530 120.190 119.600 0.100 0.000 2.279 345 M HA -0.305 nan 4.480 nan 0.000 0.264 345 M C 1.600 178.093 176.300 0.322 0.000 1.062 345 M CA 2.237 57.652 55.300 0.192 0.000 1.099 345 M CB -0.936 31.700 32.600 0.059 0.000 1.394 345 M HN -0.263 8.025 8.290 0.090 0.056 0.426 346 S N -0.604 115.249 115.700 0.255 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.741 174.023 174.600 0.273 0.000 1.006 346 S CA 3.446 61.809 58.200 0.270 0.000 0.957 346 S CB 0.163 63.478 63.200 0.193 0.000 0.773 346 S HN -0.559 7.833 8.310 0.205 0.042 0.507 347 D N -2.552 118.006 120.400 0.263 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.385 176.088 176.300 0.289 0.000 1.036 347 D CA -1.126 53.021 54.000 0.245 0.000 0.848 347 D CB 2.939 43.883 40.800 0.241 0.000 1.307 347 D HN -0.653 7.712 8.370 0.224 0.139 0.469 348 T N 3.854 118.569 114.554 0.268 0.000 2.915 348 T HA -0.096 nan 4.350 nan 0.000 0.269 348 T C 2.341 177.356 174.700 0.526 0.000 1.071 348 T CA 3.397 65.728 62.100 0.385 0.000 1.132 348 T CB -0.235 68.626 68.868 -0.013 0.000 0.878 348 T HN 0.389 8.765 8.240 0.227 0.000 0.479 349 S N 1.445 117.407 115.700 0.437 0.000 2.371 349 S HA -0.143 nan 4.470 nan 0.000 0.224 349 S C 1.190 175.761 174.600 -0.049 0.000 1.029 349 S CA 3.517 61.837 58.200 0.199 0.000 0.978 349 S CB -0.115 63.084 63.200 -0.002 0.000 0.833 349 S HN -0.084 8.802 8.310 0.507 -0.272 0.466 350 T N -4.862 109.647 114.554 -0.076 0.000 3.035 350 T HA 0.241 nan 4.350 nan 0.000 0.259 350 T C 2.522 177.134 174.700 -0.147 0.000 1.078 350 T CA 1.454 63.430 62.100 -0.206 0.000 1.132 350 T CB 0.343 68.975 68.868 -0.394 0.000 0.900 350 T HN -0.030 8.217 8.240 0.011 0.000 0.480 351 S N 4.313 120.007 115.700 -0.010 0.000 2.400 351 S HA -0.343 nan 4.470 nan 0.000 0.232 351 S C 2.078 176.537 174.600 -0.234 0.000 1.025 351 S CA 3.599 61.827 58.200 0.047 0.000 0.993 351 S CB -1.142 62.305 63.200 0.413 0.000 0.808 351 S HN 0.158 8.531 8.310 0.106 0.000 0.478 352 L N 1.687 122.599 121.223 -0.519 0.000 2.201 352 L HA -0.225 nan 4.340 nan 0.000 0.212 352 L C 1.691 178.312 176.870 -0.415 0.000 1.105 352 L CA 2.154 56.513 54.840 -0.802 0.000 0.775 352 L CB -0.763 40.906 42.059 -0.649 0.000 0.913 352 L HN -0.324 7.644 8.230 -0.384 0.032 0.440 353 R N -2.838 117.489 120.500 -0.289 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.023 176.049 176.300 -0.457 0.000 1.119 353 R CA 2.175 58.127 56.100 -0.245 0.000 0.970 353 R CB -0.335 29.884 30.300 -0.135 0.000 0.864 353 R HN -0.119 7.950 8.270 -0.271 0.039 0.440 354 D N 0.715 120.835 120.400 -0.466 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.782 175.347 176.300 -0.284 0.000 1.137 354 D CA -2.631 51.014 54.000 -0.592 0.000 0.879 354 D CB 0.793 41.443 40.800 -0.249 0.000 1.181 354 D HN -0.761 7.394 8.370 -0.309 0.030 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.738 178.089 177.300 0.085 0.000 1.151 355 P CA 1.544 64.669 63.100 0.042 0.000 0.787 355 P CB 0.028 31.759 31.700 0.053 0.000 0.788 356 I N -5.126 115.434 120.570 -0.017 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.091 176.117 -0.058 0.000 1.156 356 I CA 2.934 64.201 61.300 -0.055 0.000 1.433 356 I CB -0.549 37.368 38.000 -0.138 0.000 1.082 356 I HN -0.577 7.853 8.210 -0.063 -0.258 0.432 357 F N 1.995 121.784 119.950 -0.268 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.138 176.787 175.800 -0.252 0.000 1.103 357 F CA 4.544 62.353 58.000 -0.319 0.000 1.228 357 F CB -0.044 38.569 39.000 -0.645 0.000 0.984 357 F HN -0.509 7.638 8.300 -0.011 0.146 0.477 358 Y N -3.194 117.208 120.300 0.171 0.000 2.200 358 Y HA -0.427 nan 4.550 nan 0.000 0.290 358 Y C 2.091 178.015 175.900 0.040 0.000 1.137 358 Y CA 4.024 62.146 58.100 0.037 0.000 1.163 358 Y CB -0.676 37.581 38.460 -0.338 0.000 0.988 358 Y HN -0.763 7.431 8.280 -0.113 0.018 0.518 359 R N -0.387 120.207 120.500 0.157 0.000 2.073 359 R HA -0.430 nan 4.340 nan 0.000 0.234 359 R C 2.058 178.430 176.300 0.119 0.000 1.134 359 R CA 3.574 59.759 56.100 0.142 0.000 0.952 359 R CB -0.144 30.229 30.300 0.121 0.000 0.850 359 R HN -0.630 7.640 8.270 0.140 0.084 0.433 360 W N -0.328 120.869 121.300 -0.172 0.000 2.381 360 W HA -0.337 nan 4.660 nan 0.000 0.301 360 W C 1.777 178.190 176.519 -0.177 0.000 1.205 360 W CA 3.672 60.856 57.345 -0.267 0.000 1.285 360 W CB 0.108 29.205 29.460 -0.606 0.000 1.133 360 W HN 0.049 8.261 8.180 0.053 0.000 0.521 361 H N -0.966 117.957 119.070 -0.246 0.000 2.423 361 H HA -0.283 nan 4.556 nan 0.000 0.297 361 H C 2.870 178.131 175.328 -0.111 0.000 1.075 361 H CA 5.084 60.999 56.048 -0.222 0.000 1.342 361 H CB -0.092 29.522 29.762 -0.246 0.000 1.395 361 H HN -0.111 8.165 8.280 -0.007 0.000 0.530 362 R N -0.706 119.830 120.500 0.060 0.000 2.092 362 R HA -0.289 nan 4.340 nan 0.000 0.231 362 R C 2.054 178.350 176.300 -0.005 0.000 1.119 362 R CA 2.485 58.621 56.100 0.061 0.000 0.970 362 R CB -0.847 29.513 30.300 0.099 0.000 0.864 362 R HN 0.330 8.554 8.270 0.098 0.105 0.440 363 F N 1.505 121.318 119.950 -0.228 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.674 177.276 175.800 -0.330 0.000 1.105 363 F CA 3.532 61.343 58.000 -0.315 0.000 1.239 363 F CB 0.102 38.755 39.000 -0.578 0.000 0.991 363 F HN -0.600 7.626 8.300 0.018 0.084 0.474 364 I N -4.982 115.334 120.570 -0.424 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.497 177.664 176.117 0.084 0.000 1.117 364 I CA 3.343 64.493 61.300 -0.249 0.000 1.404 364 I CB -0.632 37.355 38.000 -0.021 0.000 1.071 364 I HN -0.113 7.789 8.210 -0.513 0.000 0.419 365 D N 0.403 120.906 120.400 0.171 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.173 178.636 176.300 0.272 0.000 0.990 365 D CA 3.201 57.431 54.000 0.383 0.000 0.839 365 D CB -0.326 40.573 40.800 0.165 0.000 0.948 365 D HN 0.163 8.345 8.370 0.032 0.207 0.460 366 N N -0.989 117.699 118.700 -0.020 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.411 177.831 175.510 -0.150 0.000 1.019 366 N CA 3.069 56.058 53.050 -0.101 0.000 0.857 366 N CB -0.153 38.191 38.487 -0.238 0.000 0.997 366 N HN -0.112 8.091 8.380 -0.107 0.112 0.426 367 I N -0.264 120.121 120.570 -0.309 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.638 177.550 176.117 -0.342 0.000 1.100 367 I CA 3.709 64.767 61.300 -0.403 0.000 1.374 367 I CB -0.165 37.473 38.000 -0.602 0.000 1.057 367 I HN -0.431 7.418 8.210 -0.348 0.152 0.413 368 F N -1.707 118.199 119.950 -0.072 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.323 178.067 175.800 -0.094 0.000 1.090 368 F CA 4.052 61.958 58.000 -0.156 0.000 1.293 368 F CB -0.776 38.022 39.000 -0.337 0.000 1.013 368 F HN -0.833 7.332 8.300 -0.098 0.077 0.486 369 Q N -1.898 117.998 119.800 0.160 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.787 176.000 0.055 0.000 0.977 369 Q CA 3.025 58.895 55.803 0.112 0.000 0.850 369 Q CB -0.881 27.914 28.738 0.095 0.000 0.901 369 Q HN 0.176 8.470 8.270 0.204 0.099 0.429 370 E N -0.589 119.615 120.200 0.007 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.371 178.975 176.600 0.007 0.000 0.988 370 E CA 2.823 59.214 56.400 -0.016 0.000 0.804 370 E CB -0.230 29.437 29.700 -0.054 0.000 0.745 370 E HN -0.143 8.117 8.360 -0.024 0.085 0.458 371 H N 0.509 119.548 119.070 -0.051 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.359 177.809 175.328 0.203 0.000 1.090 371 H CA 3.724 59.779 56.048 0.012 0.000 1.327 371 H CB 0.150 29.916 29.762 0.006 0.000 1.383 371 H HN -0.704 7.559 8.280 0.092 0.072 0.508 372 K N -1.823 118.688 120.400 0.184 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.976 179.671 176.600 0.160 0.000 1.049 372 K CA 2.355 58.739 56.287 0.162 0.000 0.936 372 K CB -0.735 31.809 32.500 0.074 0.000 0.722 372 K HN -0.097 8.163 8.250 0.165 0.088 0.446 373 K N -0.499 119.933 120.400 0.053 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.588 178.142 176.600 -0.077 0.000 1.049 373 K CA 2.702 58.983 56.287 -0.010 0.000 0.933 373 K CB -0.318 32.164 32.500 -0.030 0.000 0.717 373 K HN 0.077 8.227 8.250 0.046 0.128 0.442 374 S N -1.504 114.101 115.700 -0.158 0.000 2.447 374 S HA -0.188 nan 4.470 nan 0.000 0.233 374 S C 0.495 174.823 174.600 -0.453 0.000 1.006 374 S CA 2.347 60.352 58.200 -0.326 0.000 0.957 374 S CB 0.590 63.446 63.200 -0.572 0.000 0.773 374 S HN -0.476 7.628 8.310 -0.138 0.123 0.507 375 F N 2.070 121.877 119.950 -0.239 0.000 2.382 375 F HA -0.008 nan 4.527 nan 0.000 0.331 375 F C -0.120 175.547 175.800 -0.221 0.000 1.121 375 F CA 0.933 58.824 58.000 -0.182 0.000 1.183 375 F CB 0.940 39.851 39.000 -0.148 0.000 1.207 375 F HN -0.641 7.569 8.300 0.148 0.179 0.555 376 H N 1.685 120.783 119.070 0.047 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.620 173.643 175.328 -0.109 0.000 1.181 376 H CA -0.604 55.430 56.048 -0.023 0.000 1.402 376 H CB 0.292 30.043 29.762 -0.018 0.000 1.474 376 H HN 0.064 8.510 8.280 0.277 0.000 0.596 377 P HA 0.060 nan 4.420 nan 0.000 0.277 377 P C -1.442 175.790 177.300 -0.114 0.000 1.276 377 P CA -0.255 62.797 63.100 -0.080 0.000 0.788 377 P CB 0.653 32.379 31.700 0.044 0.000 1.114 378 Y N -0.773 119.627 120.300 0.168 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.448 176.414 175.900 0.110 0.000 1.055 378 Y CA 0.286 58.484 58.100 0.163 0.000 1.143 378 Y CB 0.964 39.553 38.460 0.215 0.000 1.193 378 Y HN 0.237 8.618 8.280 0.169 0.000 0.477 379 T N 4.845 119.547 114.554 0.246 0.000 2.816 379 T HA 0.231 nan 4.350 nan 0.000 0.282 379 T C 0.556 175.310 174.700 0.091 0.000 0.993 379 T CA -0.746 61.429 62.100 0.125 0.000 0.994 379 T CB 1.324 70.248 68.868 0.093 0.000 1.025 379 T HN 0.229 8.639 8.240 0.282 0.000 0.529 380 K N 1.185 121.597 120.400 0.020 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.280 178.891 176.600 0.018 0.000 1.049 380 K CA 3.152 59.427 56.287 -0.020 0.000 0.936 380 K CB 0.007 32.485 32.500 -0.037 0.000 0.722 380 K HN 0.305 8.563 8.250 0.012 0.000 0.446 381 E N -1.586 118.637 120.200 0.039 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.131 177.774 176.600 0.072 0.000 0.997 381 E CA 2.847 59.273 56.400 0.044 0.000 0.801 381 E CB -0.627 29.100 29.700 0.045 0.000 0.746 381 E HN 0.091 8.462 8.360 0.037 0.011 0.450 382 E N -2.114 118.156 120.200 0.116 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.740 178.422 176.600 0.136 0.000 0.985 382 E CA 2.189 58.671 56.400 0.137 0.000 0.801 382 E CB -0.152 29.707 29.700 0.265 0.000 0.750 382 E HN -0.623 7.726 8.360 0.134 0.091 0.452 383 L N -3.124 118.184 121.223 0.141 0.000 2.044 383 L HA -0.231 nan 4.340 nan 0.000 0.205 383 L C 0.820 177.764 176.870 0.124 0.000 1.075 383 L CA 2.015 56.941 54.840 0.143 0.000 0.747 383 L CB 0.363 42.423 42.059 0.001 0.000 0.903 383 L HN -0.674 7.630 8.230 0.123 0.000 0.435 384 S N -3.152 112.593 115.700 0.075 0.000 2.576 384 S HA -0.078 nan 4.470 nan 0.000 0.276 384 S C -1.064 173.627 174.600 0.152 0.000 1.339 384 S CA 1.670 59.917 58.200 0.078 0.000 1.039 384 S CB 0.744 63.954 63.200 0.017 0.000 0.902 384 S HN -0.275 7.970 8.310 0.058 0.100 0.516 385 F N 6.018 125.970 119.950 0.004 0.000 2.434 385 F HA 0.358 nan 4.527 nan 0.000 0.355 385 F C -2.713 173.087 175.800 -0.001 0.000 1.115 385 F CA -3.473 54.532 58.000 0.007 0.000 1.010 385 F CB 2.791 41.797 39.000 0.011 0.000 1.234 385 F HN -0.376 8.237 8.300 0.212 -0.186 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.588 176.467 177.300 -0.408 0.000 1.228 386 P CA -0.048 62.849 63.100 -0.339 0.000 0.786 386 P CB 0.470 32.022 31.700 -0.247 0.000 0.927 387 G N 0.525 109.212 108.800 -0.187 0.000 2.253 387 G HA2 -0.307 nan 3.960 nan 0.000 0.251 387 G HA3 -0.307 nan 3.960 nan 0.000 0.251 387 G C -1.201 173.676 174.900 -0.037 0.000 0.998 387 G CA 0.550 45.577 45.100 -0.121 0.000 0.621 387 G HN 0.091 8.304 8.290 -0.129 0.000 0.524 388 V N 1.487 121.410 119.914 0.016 0.000 2.435 388 V HA 0.403 nan 4.120 nan 0.000 0.290 388 V C -1.421 174.721 176.094 0.080 0.000 1.030 388 V CA -0.773 61.609 62.300 0.137 0.000 0.881 388 V CB 0.673 32.724 31.823 0.380 0.000 0.983 388 V HN -0.727 7.352 8.190 -0.040 0.086 0.445 389 E N 6.958 127.185 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.586 175.018 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.019 0.000 0.755 389 E CB 4.740 34.444 29.700 0.006 0.000 1.192 389 E HN 0.334 8.721 8.360 0.044 0.000 0.422 390 V N 6.750 126.657 119.914 -0.012 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.103 175.977 176.094 -0.023 0.000 1.037 390 V CA -0.011 62.270 62.300 -0.031 0.000 0.872 390 V CB -0.595 31.189 31.823 -0.064 0.000 1.002 390 V HN 0.307 8.490 8.190 -0.012 0.000 0.464 391 V N 8.083 127.987 119.914 -0.017 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.008 0.000 1.041 391 V CA 1.784 64.078 62.300 -0.009 0.000 1.025 391 V CB 0.471 32.291 31.823 -0.005 0.000 0.656 391 V HN 0.669 8.849 8.190 -0.018 0.000 0.451 392 G N -4.537 104.256 108.800 -0.011 0.000 2.489 392 G HA2 0.152 nan 3.960 nan 0.000 0.291 392 G HA3 0.152 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.655 174.900 -0.002 0.000 1.487 392 G CA 0.632 45.730 45.100 -0.003 0.000 0.795 392 G HN -0.821 7.459 8.290 -0.018 0.000 0.513 393 V N -0.921 119.001 119.914 0.014 0.000 2.925 393 V HA 0.705 nan 4.120 nan 0.000 0.311 393 V C -1.450 174.680 176.094 0.060 0.000 1.104 393 V CA -1.578 60.744 62.300 0.036 0.000 0.954 393 V CB 3.505 35.346 31.823 0.030 0.000 1.022 393 V HN 0.280 8.481 8.190 0.018 0.000 0.427 394 S N 2.470 118.223 115.700 0.088 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.884 172.783 174.600 0.112 0.000 1.121 394 S CA -1.082 57.166 58.200 0.079 0.000 0.887 394 S CB 3.506 66.737 63.200 0.050 0.000 1.094 394 S HN 0.307 8.679 8.310 0.103 0.000 0.474 395 I N -1.600 119.013 120.570 0.072 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.794 174.322 176.117 -0.002 0.000 0.992 395 I CA -2.108 59.205 61.300 0.023 0.000 1.149 395 I CB 1.289 39.248 38.000 -0.069 0.000 1.315 395 I HN 0.356 8.891 8.210 0.051 -0.294 0.446 396 N N 8.134 126.839 118.700 0.008 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.079 175.510 0.047 0.000 1.024 396 N CA 0.194 53.256 53.050 0.021 0.000 0.894 396 N CB 2.240 40.740 38.487 0.021 0.000 1.173 396 N HN 0.575 8.846 8.380 0.000 0.109 0.487 397 S N 2.753 118.473 115.700 0.034 0.000 2.929 397 S HA 0.197 nan 4.470 nan 0.000 0.311 397 S C -0.710 173.902 174.600 0.019 0.000 1.213 397 S CA -0.412 57.817 58.200 0.047 0.000 0.908 397 S CB 2.270 65.493 63.200 0.039 0.000 1.287 397 S HN 0.025 8.344 8.310 0.016 0.000 0.594 398 K N 1.997 122.402 120.400 0.009 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.601 176.600 -0.008 0.000 1.048 398 K CA 1.836 58.119 56.287 -0.006 0.000 0.927 398 K CB 0.281 32.769 32.500 -0.021 0.000 0.712 398 K HN 0.061 8.660 8.250 0.015 -0.340 0.441 399 T N 0.431 114.979 114.554 -0.010 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.536 173.160 174.700 -0.008 0.000 0.993 399 T CA -0.675 61.419 62.100 -0.010 0.000 0.970 399 T CB 1.974 70.834 68.868 -0.014 0.000 0.950 399 T HN -0.167 8.071 8.240 -0.011 -0.005 0.441 400 A N 4.004 126.822 122.820 -0.002 0.000 2.462 400 A HA -0.083 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.740 177.584 -0.004 0.000 1.076 400 A CA 0.775 52.811 52.037 -0.001 0.000 0.773 400 A CB 0.035 19.039 19.000 0.007 0.000 1.010 400 A HN 0.318 8.467 8.150 -0.001 0.000 0.493 401 N N -2.425 116.268 118.700 -0.012 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.541 173.956 175.510 -0.023 0.000 1.078 401 N CA 1.189 54.231 53.050 -0.013 0.000 0.804 401 N CB -1.517 36.978 38.487 0.013 0.000 1.135 401 N HN 0.268 8.533 8.380 -0.016 0.105 0.565 402 V N -8.415 111.476 119.914 -0.038 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.171 173.882 176.094 -0.068 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.038 0.000 0.901 402 V CB 3.085 34.896 31.823 -0.021 0.000 1.003 402 V HN -0.602 7.512 8.190 -0.037 0.054 0.425 403 I N 4.156 124.673 120.570 -0.087 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.912 174.188 176.117 -0.028 0.000 1.005 403 I CA -1.828 59.414 61.300 -0.096 0.000 1.113 403 I CB 3.732 41.597 38.000 -0.226 0.000 1.289 403 I HN 0.711 8.880 8.210 -0.068 0.000 0.436 404 T N 9.160 123.719 114.554 0.010 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.941 172.791 174.700 0.053 0.000 1.005 404 T CA -0.810 61.291 62.100 0.001 0.000 1.025 404 T CB 1.865 70.704 68.868 -0.047 0.000 0.977 404 T HN 0.219 8.483 8.240 0.041 0.000 0.458 405 T N 5.887 120.473 114.554 0.053 0.000 2.876 405 T HA 0.967 nan 4.350 nan 0.000 0.289 405 T C -2.371 172.277 174.700 -0.086 0.000 1.014 405 T CA -1.692 60.493 62.100 0.143 0.000 0.986 405 T CB 1.317 70.377 68.868 0.320 0.000 1.021 405 T HN 0.240 8.489 8.240 0.016 0.000 0.458 406 L N 3.968 125.183 121.223 -0.014 0.000 2.510 406 L HA 0.748 nan 4.340 nan 0.000 0.252 406 L C -1.929 175.030 176.870 0.148 0.000 1.091 406 L CA -1.052 53.671 54.840 -0.195 0.000 0.888 406 L CB 4.291 46.259 42.059 -0.152 0.000 1.507 406 L HN 1.016 9.216 8.230 0.136 0.111 0.407 407 I N -0.842 119.808 120.570 0.133 0.000 2.392 407 I HA 0.500 nan 4.170 nan 0.000 0.295 407 I C -1.932 174.181 176.117 -0.006 0.000 0.985 407 I CA -2.506 58.872 61.300 0.131 0.000 1.221 407 I CB 1.588 39.703 38.000 0.192 0.000 1.366 407 I HN 0.204 8.439 8.210 0.041 0.000 0.467 408 K N 8.043 128.325 120.400 -0.197 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.735 174.665 176.600 -0.333 0.000 0.934 408 K CA -2.140 53.983 56.287 -0.273 0.000 0.798 408 K CB 3.410 35.680 32.500 -0.383 0.000 1.204 408 K HN 0.870 8.816 8.250 -0.332 0.105 0.427 409 E N 2.844 122.913 120.200 -0.217 0.000 2.313 409 E HA 0.412 nan 4.350 nan 0.000 0.272 409 E C -1.202 175.147 176.600 -0.419 0.000 1.038 409 E CA -0.751 55.413 56.400 -0.393 0.000 0.863 409 E CB 1.161 30.660 29.700 -0.335 0.000 1.060 409 E HN 0.280 8.552 8.360 -0.146 0.000 0.402 410 S N 1.421 116.725 115.700 -0.661 0.000 2.607 410 S HA 0.414 nan 4.470 nan 0.000 0.273 410 S C -2.102 172.002 174.600 -0.827 0.000 1.148 410 S CA -1.087 56.719 58.200 -0.658 0.000 0.833 410 S CB 2.827 65.651 63.200 -0.625 0.000 1.130 410 S HN 0.761 8.564 8.310 -0.845 0.000 0.470 411 L N 1.550 122.507 121.223 -0.444 0.000 2.370 411 L HA 0.872 nan 4.340 nan 0.000 0.266 411 L C -1.650 175.209 176.870 -0.017 0.000 1.002 411 L CA -1.331 53.369 54.840 -0.234 0.000 0.818 411 L CB 3.400 45.384 42.059 -0.124 0.000 1.325 411 L HN 0.289 8.338 8.230 -0.302 0.000 0.418 412 L N 1.874 123.167 121.223 0.117 0.000 2.365 412 L HA 0.456 nan 4.340 nan 0.000 0.273 412 L C -2.203 174.709 176.870 0.070 0.000 1.000 412 L CA -1.430 53.500 54.840 0.149 0.000 0.819 412 L CB 4.405 46.590 42.059 0.209 0.000 1.284 412 L HN 0.852 9.034 8.230 0.105 0.111 0.418 413 E N 5.092 125.318 120.200 0.044 0.000 2.115 413 E HA 0.310 nan 4.350 nan 0.000 0.282 413 E C 0.037 176.646 176.600 0.015 0.000 0.987 413 E CA -0.597 55.815 56.400 0.019 0.000 0.797 413 E CB 0.722 30.430 29.700 0.014 0.000 1.086 413 E HN 0.334 8.722 8.360 0.046 0.000 0.397 414 L N 5.879 127.102 121.223 -0.000 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.517 178.353 176.870 -0.056 0.000 1.106 414 L CA 2.308 57.148 54.840 0.000 0.000 0.793 414 L CB -0.025 42.050 42.059 0.027 0.000 0.927 414 L HN 0.869 9.099 8.230 0.001 0.000 0.446 415 S N -1.005 114.610 115.700 -0.143 0.000 2.387 415 S HA -0.410 nan 4.470 nan 0.000 0.230 415 S C 1.585 175.970 174.600 -0.359 0.000 1.035 415 S CA 3.169 61.224 58.200 -0.242 0.000 1.014 415 S CB -0.267 62.673 63.200 -0.433 0.000 0.836 415 S HN -0.046 8.184 8.310 -0.133 0.000 0.466 416 H N -1.051 117.845 119.070 -0.290 0.000 2.389 416 H HA -0.107 nan 4.556 nan 0.000 0.299 416 H C 1.719 176.872 175.328 -0.292 0.000 1.081 416 H CA 2.794 58.591 56.048 -0.419 0.000 1.345 416 H CB 0.031 29.405 29.762 -0.646 0.000 1.393 416 H HN -0.070 7.985 8.280 -0.346 0.017 0.520 417 G N -3.053 105.689 108.800 -0.098 0.000 2.394 417 G HA2 -0.107 nan 3.960 nan 0.000 0.215 417 G HA3 -0.107 nan 3.960 nan 0.000 0.215 417 G C -0.568 174.255 174.900 -0.128 0.000 1.165 417 G CA 0.955 45.974 45.100 -0.136 0.000 0.784 417 G HN -0.293 7.964 8.290 -0.055 0.000 0.535 418 I N -5.321 115.208 120.570 -0.067 0.000 2.797 418 I HA 0.454 nan 4.170 nan 0.000 0.307 418 I C -1.915 174.198 176.117 -0.007 0.000 1.033 418 I CA -3.549 57.734 61.300 -0.030 0.000 1.071 418 I CB 2.307 40.318 38.000 0.019 0.000 1.255 418 I HN -0.629 7.548 8.210 -0.056 0.000 0.445 419 N N 2.618 121.312 118.700 -0.011 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.422 175.044 175.510 -0.074 0.000 1.256 419 N CA 0.718 53.740 53.050 -0.046 0.000 0.914 419 N CB -0.284 38.158 38.487 -0.076 0.000 1.088 419 N HN 0.017 8.393 8.380 -0.006 0.000 0.478 420 F N 1.169 121.103 119.950 -0.026 0.000 2.163 420 F HA -0.021 nan 4.527 nan 0.000 0.297 420 F C 0.197 175.988 175.800 -0.014 0.000 1.094 420 F CA 0.290 58.266 58.000 -0.040 0.000 1.290 420 F CB -0.028 38.925 39.000 -0.079 0.000 1.017 420 F HN -0.316 8.161 8.300 0.295 0.000 0.483 421 G N 0.329 108.606 108.800 -0.871 0.000 2.531 421 G HA2 -0.545 nan 3.960 nan 0.000 0.274 421 G HA3 -0.545 nan 3.960 nan 0.000 0.274 421 G C 0.548 175.396 174.900 -0.086 0.000 1.159 421 G CA 1.078 45.926 45.100 -0.420 0.000 0.969 421 G HN -0.359 7.053 8.290 -1.700 -0.143 0.554 422 T N 0.986 115.552 114.554 0.019 0.000 2.857 422 T HA -0.089 nan 4.350 nan 0.000 0.266 422 T C 0.633 175.417 174.700 0.140 0.000 1.048 422 T CA 0.598 62.749 62.100 0.085 0.000 1.139 422 T CB -0.080 68.815 68.868 0.044 0.000 0.874 422 T HN 0.609 8.840 8.240 -0.015 0.000 0.455 423 D N 1.969 122.452 120.400 0.138 0.000 2.443 423 D HA -0.063 nan 4.640 nan 0.000 0.239 423 D C 0.193 176.557 176.300 0.106 0.000 1.136 423 D CA -0.044 54.019 54.000 0.106 0.000 0.879 423 D CB -0.192 40.655 40.800 0.079 0.000 1.195 423 D HN -0.705 7.740 8.370 0.125 0.000 0.443 424 Q N 2.651 122.467 119.800 0.027 0.000 2.079 424 Q HA -0.193 nan 4.340 nan 0.000 0.200 424 Q C 0.190 176.135 176.000 -0.091 0.000 0.974 424 Q CA 3.269 59.048 55.803 -0.041 0.000 0.840 424 Q CB 0.963 29.678 28.738 -0.038 0.000 0.898 424 Q HN -0.053 8.232 8.270 0.026 0.000 0.430 425 S N -4.759 110.911 115.700 -0.050 0.000 2.537 425 S HA 0.387 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.870 174.600 -0.026 0.000 1.148 425 S CA -0.413 57.744 58.200 -0.072 0.000 0.868 425 S CB 2.148 65.302 63.200 -0.077 0.000 1.115 425 S HN -0.532 7.768 8.310 -0.016 0.000 0.461 426 V N -0.193 119.707 119.914 -0.023 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.853 174.242 176.094 0.002 0.000 1.022 426 V CA -2.478 59.824 62.300 0.004 0.000 0.850 426 V CB 1.747 33.585 31.823 0.025 0.000 0.992 426 V HN 0.056 8.218 8.190 -0.047 0.000 0.426 427 K N 4.738 125.142 120.400 0.007 0.000 2.318 427 K HA 0.844 nan 4.320 nan 0.000 0.249 427 K C -2.276 174.341 176.600 0.028 0.000 0.942 427 K CA -2.463 53.831 56.287 0.012 0.000 0.808 427 K CB 3.498 35.992 32.500 -0.009 0.000 1.189 427 K HN 0.096 8.351 8.250 0.008 0.000 0.428 428 V N 1.900 121.849 119.914 0.058 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.243 173.889 176.094 0.064 0.000 1.035 428 V CA -2.846 59.502 62.300 0.081 0.000 0.889 428 V CB 3.253 35.156 31.823 0.134 0.000 0.988 428 V HN 0.682 8.916 8.190 0.072 0.000 0.440 429 K N 9.271 129.675 120.400 0.006 0.000 2.183 429 K HA 0.731 nan 4.320 nan 0.000 0.274 429 K C -1.857 174.688 176.600 -0.093 0.000 1.009 429 K CA -1.360 54.841 56.287 -0.143 0.000 0.888 429 K CB 2.292 34.694 32.500 -0.162 0.000 1.078 429 K HN 0.898 9.068 8.250 0.032 0.099 0.459 430 Y N 2.947 123.156 120.300 -0.152 0.000 2.638 430 Y HA 0.462 nan 4.550 nan 0.000 0.339 430 Y C -2.351 173.378 175.900 -0.285 0.000 1.084 430 Y CA -2.620 55.416 58.100 -0.107 0.000 1.068 430 Y CB 2.272 40.756 38.460 0.041 0.000 1.294 430 Y HN 0.971 8.606 8.280 -0.885 0.114 0.480 431 H N -1.150 118.095 119.070 0.293 0.000 2.622 431 H HA 0.774 nan 4.556 nan 0.000 0.363 431 H C -0.503 174.979 175.328 0.258 0.000 1.151 431 H CA -1.676 54.445 56.048 0.122 0.000 1.184 431 H CB 3.701 33.507 29.762 0.072 0.000 1.643 431 H HN 0.198 8.786 8.280 0.513 0.000 0.531 432 H N -2.111 117.115 119.070 0.260 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.245 173.179 175.328 0.160 0.000 1.252 432 H CA -2.146 54.005 56.048 0.171 0.000 1.117 432 H CB 2.664 32.391 29.762 -0.058 0.000 1.857 432 H HN 0.823 8.944 8.280 -0.266 0.000 0.547 433 L N -0.914 120.552 121.223 0.406 0.000 2.417 433 L HA 0.292 nan 4.340 nan 0.000 0.268 433 L C -0.495 176.671 176.870 0.493 0.000 1.158 433 L CA 0.285 55.340 54.840 0.358 0.000 0.819 433 L CB 0.874 43.117 42.059 0.307 0.000 1.112 433 L HN 0.334 8.858 8.230 0.490 0.000 0.458 434 D N 3.503 124.111 120.400 0.346 0.000 2.599 434 D HA 0.327 nan 4.640 nan 0.000 0.252 434 D C -2.516 173.911 176.300 0.211 0.000 1.232 434 D CA -1.033 53.136 54.000 0.283 0.000 0.819 434 D CB 3.877 44.786 40.800 0.181 0.000 1.401 434 D HN 0.725 9.278 8.370 0.304 0.000 0.429 435 H N -2.233 116.914 119.070 0.128 0.000 2.946 435 H HA 0.744 nan 4.556 nan 0.000 0.365 435 H C -1.478 173.846 175.328 -0.007 0.000 1.197 435 H CA -2.115 53.972 56.048 0.065 0.000 1.131 435 H CB 3.007 32.822 29.762 0.089 0.000 1.849 435 H HN 0.015 8.095 8.280 -0.334 0.000 0.555 436 E N 1.148 121.431 120.200 0.139 0.000 2.390 436 E HA 0.040 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.031 176.600 0.073 0.000 1.076 436 E CA -1.912 54.520 56.400 0.053 0.000 0.905 436 E CB 1.179 30.914 29.700 0.058 0.000 0.984 436 E HN 0.058 8.528 8.360 0.183 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.257 177.300 0.019 0.000 1.228 437 P CA 0.287 63.273 63.100 -0.190 0.000 0.786 437 P CB 0.598 32.393 31.700 0.158 0.000 0.927 438 F N -4.090 115.907 119.950 0.077 0.000 2.711 438 F HA 0.650 nan 4.527 nan 0.000 0.313 438 F C -2.171 173.557 175.800 -0.120 0.000 1.141 438 F CA -2.236 55.726 58.000 -0.063 0.000 0.941 438 F CB 2.263 41.154 39.000 -0.182 0.000 1.349 438 F HN -0.498 7.452 8.300 -0.585 0.000 0.464 439 T N -1.412 113.170 114.554 0.048 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.119 172.477 174.700 -0.174 0.000 1.084 439 T CA -1.950 60.086 62.100 -0.107 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.045 0.000 1.170 439 T HN 0.270 8.584 8.240 0.124 0.000 0.509 440 Y N 0.327 120.714 120.300 0.145 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.771 174.154 175.900 0.042 0.000 1.004 440 Y CA -2.022 56.144 58.100 0.110 0.000 1.075 440 Y CB 3.297 41.829 38.460 0.121 0.000 1.214 440 Y HN 0.571 8.901 8.280 0.083 0.000 0.455 441 N N 1.874 120.685 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.337 175.510 0.064 0.000 1.025 441 N CA -0.753 52.348 53.050 0.085 0.000 0.898 441 N CB 2.981 41.495 38.487 0.046 0.000 1.303 441 N HN 0.600 9.100 8.380 0.201 0.000 0.495 442 I N 6.656 127.237 120.570 0.018 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.783 176.117 -0.039 0.000 0.999 442 I CA -2.383 58.908 61.300 -0.014 0.000 1.124 442 I CB 3.077 41.052 38.000 -0.042 0.000 1.289 442 I HN 0.580 8.785 8.210 -0.008 0.000 0.441 443 V N 9.776 129.674 119.914 -0.026 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.550 174.528 176.094 -0.027 0.000 1.037 443 V CA -0.876 61.410 62.300 -0.024 0.000 0.900 443 V CB 0.458 32.275 31.823 -0.010 0.000 0.983 443 V HN 0.610 8.790 8.190 -0.017 0.000 0.459 444 V N 7.617 127.515 119.914 -0.026 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.073 174.022 176.094 0.002 0.000 1.061 444 V CA -1.862 60.429 62.300 -0.016 0.000 0.913 444 V CB 3.633 35.442 31.823 -0.023 0.000 1.005 444 V HN 0.924 8.993 8.190 -0.024 0.106 0.428 445 E N 5.610 125.815 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.037 174.579 176.600 0.027 0.000 0.930 445 E CA -2.212 54.196 56.400 0.014 0.000 0.770 445 E CB 2.507 32.212 29.700 0.008 0.000 1.104 445 E HN 0.735 9.100 8.360 0.009 0.000 0.403 446 N N 6.874 125.591 118.700 0.028 0.000 2.527 446 N HA 0.272 nan 4.740 nan 0.000 0.236 446 N C 0.588 176.110 175.510 0.020 0.000 0.999 446 N CA -1.577 51.497 53.050 0.039 0.000 0.935 446 N CB 0.524 39.036 38.487 0.043 0.000 1.132 446 N HN 0.243 8.636 8.380 0.022 0.000 0.511 447 N N 7.614 126.320 118.700 0.009 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.481 175.985 175.510 -0.010 0.000 1.016 447 N CA 1.895 54.941 53.050 -0.006 0.000 0.870 447 N CB 0.099 38.575 38.487 -0.019 0.000 0.979 447 N HN 0.839 9.134 8.380 0.014 0.093 0.431 448 S N 0.886 116.579 115.700 -0.010 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.328 175.927 174.600 -0.002 0.000 1.342 448 S CA 0.453 58.645 58.200 -0.013 0.000 1.005 448 S CB 0.842 64.035 63.200 -0.011 0.000 0.909 448 S HN -0.333 8.199 8.310 -0.001 -0.223 0.555 449 G N -0.863 107.935 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.100 173.803 174.900 0.005 0.000 1.143 449 G CA 0.415 45.516 45.100 0.001 0.000 0.784 449 G HN 0.415 8.701 8.290 -0.007 0.000 0.541 450 A N -0.558 122.268 122.820 0.010 0.000 2.288 450 A HA 0.238 nan 4.320 nan 0.000 0.328 450 A C -1.634 175.953 177.584 0.004 0.000 1.123 450 A CA -1.089 50.955 52.037 0.011 0.000 0.861 450 A CB 2.114 21.129 19.000 0.025 0.000 1.272 450 A HN -0.788 7.330 8.150 0.011 0.039 0.490 451 E N -0.460 119.728 120.200 -0.020 0.000 2.373 451 E HA -0.089 nan 4.350 nan 0.000 0.267 451 E C -1.089 175.442 176.600 -0.115 0.000 1.032 451 E CA 0.621 56.975 56.400 -0.077 0.000 0.889 451 E CB 0.611 30.237 29.700 -0.122 0.000 0.984 451 E HN 0.089 8.442 8.360 -0.012 0.000 0.425 452 K N 1.279 121.599 120.400 -0.134 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.964 176.600 -0.315 0.000 0.991 452 K CA -2.546 53.696 56.287 -0.076 0.000 0.845 452 K CB 3.334 35.952 32.500 0.196 0.000 1.197 452 K HN 0.696 8.772 8.250 -0.115 0.104 0.441 453 H N -0.353 118.769 119.070 0.086 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.670 174.606 175.328 -0.086 0.000 1.048 453 H CA -0.983 55.105 56.048 0.066 0.000 1.204 453 H CB 2.524 32.591 29.762 0.509 0.000 1.493 453 H HN 0.475 8.872 8.280 0.196 0.000 0.511 454 S N 2.620 118.161 115.700 -0.264 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.150 173.323 174.600 -0.211 0.000 1.099 454 S CA -1.609 56.430 58.200 -0.267 0.000 0.913 454 S CB 2.519 65.513 63.200 -0.344 0.000 1.085 454 S HN 0.931 8.857 8.310 -0.640 0.000 0.480 455 T N 3.542 118.035 114.554 -0.101 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.591 174.700 -0.256 0.000 0.970 455 T CA -0.005 62.051 62.100 -0.074 0.000 0.980 455 T CB 0.728 69.624 68.868 0.047 0.000 0.924 455 T HN 0.230 8.393 8.240 -0.128 0.000 0.456 456 V N 8.114 127.704 119.914 -0.541 0.000 2.439 456 V HA 0.509 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.543 176.094 -0.446 0.000 1.039 456 V CA -0.887 61.046 62.300 -0.612 0.000 0.913 456 V CB 0.826 32.000 31.823 -1.082 0.000 0.983 456 V HN 1.152 8.794 8.190 -0.742 0.102 0.460 457 R N 6.022 126.416 120.500 -0.176 0.000 2.480 457 R HA 0.856 nan 4.340 nan 0.000 0.306 457 R C -1.477 174.843 176.300 0.034 0.000 0.958 457 R CA -1.445 54.655 56.100 0.001 0.000 0.861 457 R CB 2.678 33.142 30.300 0.272 0.000 1.171 457 R HN 0.942 9.124 8.270 -0.146 0.000 0.445 458 I N 2.923 123.434 120.570 -0.098 0.000 2.498 458 I HA 0.676 nan 4.170 nan 0.000 0.290 458 I C -1.714 174.286 176.117 -0.194 0.000 1.032 458 I CA -0.979 60.284 61.300 -0.063 0.000 1.073 458 I CB 3.128 40.997 38.000 -0.217 0.000 1.251 458 I HN 0.755 8.837 8.210 -0.214 0.000 0.426 459 F N 4.960 125.052 119.950 0.237 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.748 175.800 0.256 0.000 1.069 459 F CA -1.560 56.588 58.000 0.246 0.000 0.953 459 F CB 4.553 43.695 39.000 0.237 0.000 1.322 459 F HN 0.584 9.191 8.300 0.512 0.000 0.479 460 L N 0.523 121.993 121.223 0.412 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.534 176.870 0.271 0.000 0.993 460 L CA -1.684 53.331 54.840 0.291 0.000 0.819 460 L CB 4.190 46.308 42.059 0.099 0.000 1.294 460 L HN 0.638 9.102 8.230 0.390 0.000 0.414 461 A N 4.726 127.675 122.820 0.214 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.007 177.584 0.040 0.000 1.059 461 A CA -2.762 49.193 52.037 -0.136 0.000 0.698 461 A CB 2.347 20.757 19.000 -0.983 0.000 1.289 461 A HN 0.802 9.127 8.150 0.293 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.124 175.985 177.300 -0.319 0.000 1.216 462 P CA -0.551 62.359 63.100 -0.317 0.000 0.771 462 P CB 0.457 31.990 31.700 -0.279 0.000 0.864 463 K N 1.032 121.212 120.400 -0.367 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.124 176.449 176.600 -0.459 0.000 1.051 463 K CA 2.284 58.349 56.287 -0.370 0.000 0.949 463 K CB 1.054 33.298 32.500 -0.427 0.000 0.726 463 K HN -0.118 7.828 8.250 -0.507 0.000 0.443 464 Y N -4.622 115.525 120.300 -0.255 0.000 2.310 464 Y HA -0.014 nan 4.550 nan 0.000 0.326 464 Y C -0.307 175.489 175.900 -0.173 0.000 1.151 464 Y CA 0.707 58.696 58.100 -0.186 0.000 1.195 464 Y CB 0.748 39.102 38.460 -0.176 0.000 1.210 464 Y HN -0.591 7.625 8.280 -0.108 0.000 0.483 465 D N 2.484 122.894 120.400 0.016 0.000 2.530 465 D HA 0.112 nan 4.640 nan 0.000 0.282 465 D C -0.152 176.150 176.300 0.003 0.000 1.204 465 D CA -1.545 52.442 54.000 -0.022 0.000 1.093 465 D CB 1.848 42.623 40.800 -0.043 0.000 1.154 465 D HN -0.336 8.053 8.370 0.031 0.000 0.593 466 E N -1.752 118.438 120.200 -0.017 0.000 2.479 466 E HA 0.053 nan 4.350 nan 0.000 0.193 466 E C -0.069 176.526 176.600 -0.008 0.000 1.049 466 E CA 0.821 57.211 56.400 -0.017 0.000 0.870 466 E CB 0.268 29.953 29.700 -0.025 0.000 0.944 466 E HN 0.328 8.671 8.360 -0.029 0.000 0.492 467 L N -1.118 120.105 121.223 -0.001 0.000 2.471 467 L HA 0.219 nan 4.340 nan 0.000 0.186 467 L C 0.669 177.552 176.870 0.022 0.000 1.191 467 L CA 1.302 56.144 54.840 0.003 0.000 0.835 467 L CB -0.411 41.645 42.059 -0.005 0.000 1.092 467 L HN -0.151 8.007 8.230 -0.002 0.071 0.495 468 N N -3.589 115.132 118.700 0.035 0.000 3.449 468 N HA -0.001 nan 4.740 nan 0.000 0.312 468 N C -1.865 173.687 175.510 0.069 0.000 1.582 468 N CA -0.662 52.438 53.050 0.083 0.000 0.850 468 N CB 1.592 40.112 38.487 0.054 0.000 1.822 468 N HN -0.550 7.840 8.380 0.016 0.000 0.577 469 N N 0.022 118.746 118.700 0.040 0.000 2.412 469 N HA -0.178 nan 4.740 nan 0.000 0.279 469 N C -1.293 174.098 175.510 -0.199 0.000 1.287 469 N CA 1.299 54.194 53.050 -0.258 0.000 0.948 469 N CB 0.063 38.362 38.487 -0.314 0.000 1.255 469 N HN 0.252 8.700 8.380 0.114 0.000 0.485 470 K N 4.529 124.815 120.400 -0.191 0.000 2.740 470 K HA 0.229 nan 4.320 nan 0.000 0.246 470 K C -1.173 175.352 176.600 -0.124 0.000 1.021 470 K CA -1.145 55.066 56.287 -0.125 0.000 1.021 470 K CB 1.241 33.696 32.500 -0.076 0.000 1.233 470 K HN -0.281 7.835 8.250 -0.223 0.000 0.497 471 L N 6.277 127.433 121.223 -0.113 0.000 2.416 471 L HA 0.029 nan 4.340 nan 0.000 0.243 471 L C -0.985 175.860 176.870 -0.042 0.000 1.373 471 L CA -0.609 54.179 54.840 -0.087 0.000 1.227 471 L CB -1.275 40.750 42.059 -0.057 0.000 1.428 471 L HN 0.689 8.856 8.230 -0.105 0.000 0.425 472 E N 2.197 122.363 120.200 -0.056 0.000 2.052 472 E HA 0.204 nan 4.350 nan 0.000 0.283 472 E C -1.395 175.191 176.600 -0.024 0.000 1.071 472 E CA -2.522 53.861 56.400 -0.030 0.000 0.851 472 E CB 0.017 29.696 29.700 -0.035 0.000 1.066 472 E HN -0.157 8.110 8.360 -0.084 0.042 0.396 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.712 178.025 177.300 0.021 0.000 1.146 473 P CA 2.532 65.653 63.100 0.034 0.000 0.808 473 P CB 0.172 31.876 31.700 0.006 0.000 0.779 474 D N -1.632 118.768 120.400 -0.000 0.000 2.097 474 D HA -0.258 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.848 176.300 -0.008 0.000 0.989 474 D CA 3.093 57.093 54.000 -0.001 0.000 0.827 474 D CB -0.379 40.418 40.800 -0.004 0.000 0.966 474 D HN 0.309 8.654 8.370 -0.001 0.024 0.456 475 E N -0.528 119.650 120.200 -0.037 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.640 179.168 176.600 -0.120 0.000 0.984 475 E CA 2.597 58.956 56.400 -0.068 0.000 0.806 475 E CB -0.108 29.542 29.700 -0.084 0.000 0.750 475 E HN -0.485 7.852 8.360 -0.037 0.000 0.458 476 Q N -1.664 118.044 119.800 -0.153 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.854 176.000 -0.355 0.000 0.980 476 Q CA 2.805 58.360 55.803 -0.412 0.000 0.869 476 Q CB -0.362 28.130 28.738 -0.411 0.000 0.912 476 Q HN -0.221 7.877 8.270 -0.087 0.119 0.436 477 R N -1.723 118.808 120.500 0.052 0.000 2.105 477 R HA -0.294 nan 4.340 nan 0.000 0.239 477 R C 1.954 178.279 176.300 0.042 0.000 1.135 477 R CA 2.692 58.900 56.100 0.179 0.000 0.967 477 R CB -0.548 29.835 30.300 0.138 0.000 0.861 477 R HN -0.671 7.496 8.270 0.056 0.136 0.442 478 R N -3.154 117.321 120.500 -0.042 0.000 2.075 478 R HA -0.113 nan 4.340 nan 0.000 0.232 478 R C 2.000 178.232 176.300 -0.113 0.000 1.126 478 R CA 1.480 57.548 56.100 -0.053 0.000 0.963 478 R CB -0.185 30.085 30.300 -0.051 0.000 0.858 478 R HN -0.530 7.714 8.270 -0.048 -0.003 0.435 479 L N -1.718 119.371 121.223 -0.223 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.612 177.312 176.870 -0.285 0.000 1.095 479 L CA 1.535 56.208 54.840 -0.278 0.000 0.770 479 L CB 0.093 41.901 42.059 -0.418 0.000 0.914 479 L HN -0.741 7.189 8.230 -0.275 0.135 0.439 480 F N -2.570 117.206 119.950 -0.291 0.000 2.608 480 F HA -0.198 nan 4.527 nan 0.000 0.380 480 F C 0.250 176.005 175.800 -0.076 0.000 1.083 480 F CA 1.717 59.520 58.000 -0.329 0.000 1.266 480 F CB 0.151 38.581 39.000 -0.950 0.000 1.076 480 F HN -0.628 7.403 8.300 -0.449 0.000 0.574 481 I N -1.457 119.275 120.570 0.269 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.735 174.573 176.117 0.319 0.000 1.011 481 I CA -2.247 59.185 61.300 0.221 0.000 1.107 481 I CB 3.439 41.479 38.000 0.067 0.000 1.285 481 I HN 0.666 9.041 8.210 0.274 0.000 0.436 482 E N 4.760 125.077 120.200 0.195 0.000 2.152 482 E HA 0.134 nan 4.350 nan 0.000 0.285 482 E C -0.246 176.242 176.600 -0.186 0.000 1.043 482 E CA -1.059 55.166 56.400 -0.293 0.000 0.839 482 E CB 1.241 30.872 29.700 -0.116 0.000 1.069 482 E HN -0.209 8.545 8.360 0.254 -0.242 0.399 483 L N 5.939 127.020 121.223 -0.237 0.000 2.095 483 L HA -0.035 nan 4.340 nan 0.000 0.204 483 L C -0.455 176.379 176.870 -0.060 0.000 1.080 483 L CA 1.863 56.667 54.840 -0.059 0.000 0.759 483 L CB 0.442 42.522 42.059 0.035 0.000 0.914 483 L HN 0.448 8.439 8.230 -0.399 0.000 0.439 484 D N -5.462 114.854 120.400 -0.141 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.797 173.500 176.300 -0.006 0.000 1.218 484 D CA -0.095 53.903 54.000 -0.003 0.000 0.748 484 D CB 3.286 44.182 40.800 0.160 0.000 1.387 484 D HN -0.635 7.555 8.370 -0.299 0.000 0.438 485 K N 2.265 122.723 120.400 0.097 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.914 174.803 176.600 0.196 0.000 0.948 485 K CA -0.580 55.737 56.287 0.050 0.000 0.796 485 K CB 2.986 35.506 32.500 0.033 0.000 1.216 485 K HN -0.259 8.076 8.250 0.143 0.000 0.432 486 F N 1.308 121.282 119.950 0.041 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.760 175.800 0.127 0.000 1.141 486 F CA -1.923 56.125 58.000 0.081 0.000 0.939 486 F CB 1.962 40.999 39.000 0.061 0.000 1.325 486 F HN 0.179 8.184 8.300 -0.492 0.000 0.453 487 F N 0.173 120.235 119.950 0.188 0.000 2.421 487 F HA 0.688 nan 4.527 nan 0.000 0.337 487 F C -2.195 173.724 175.800 0.199 0.000 1.105 487 F CA -1.120 56.902 58.000 0.036 0.000 1.049 487 F CB 2.135 41.030 39.000 -0.175 0.000 1.139 487 F HN -0.199 8.419 8.300 0.530 0.000 0.479 488 Y N 7.544 127.091 120.300 -1.254 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.467 172.780 175.900 -1.088 0.000 1.045 488 Y CA -0.743 56.882 58.100 -0.792 0.000 1.028 488 Y CB 4.784 43.094 38.460 -0.250 0.000 1.297 488 Y HN 0.719 8.246 8.280 -1.255 0.000 0.463 489 T N 5.375 119.335 114.554 -0.990 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.466 173.064 174.700 -0.283 0.000 0.998 489 T CA -0.617 61.158 62.100 -0.542 0.000 0.994 489 T CB 0.942 69.613 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.258 8.240 -1.632 0.000 0.448 490 L N 6.306 127.440 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.534 176.310 176.870 -0.044 0.000 1.006 490 L CA -1.420 53.417 54.840 -0.005 0.000 0.817 490 L CB 2.456 44.533 42.059 0.031 0.000 1.272 490 L HN 1.022 8.998 8.230 -0.229 0.117 0.421 491 T N 0.024 114.574 114.554 -0.007 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.155 172.547 174.700 0.004 0.000 0.974 491 T CA -3.139 58.953 62.100 -0.013 0.000 0.966 491 T CB -0.484 68.381 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.171 8.240 0.026 -0.162 0.538 492 P HA -0.013 nan 4.420 nan 0.000 0.274 492 P C -0.897 176.409 177.300 0.011 0.000 1.231 492 P CA -0.022 63.083 63.100 0.008 0.000 0.790 492 P CB 0.269 31.972 31.700 0.005 0.000 0.951 493 G N 2.048 110.855 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.747 173.161 174.900 0.014 0.000 1.331 493 G CA -0.582 44.524 45.100 0.010 0.000 0.891 493 G HN 0.046 8.342 8.290 0.011 0.000 0.539 494 K N 1.090 121.497 120.400 0.012 0.000 2.237 494 K HA 0.271 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.894 176.600 0.017 0.000 1.015 494 K CA 0.515 56.809 56.287 0.011 0.000 0.949 494 K CB 0.823 33.328 32.500 0.008 0.000 0.976 494 K HN 0.103 8.360 8.250 0.010 0.000 0.472 495 N N 2.328 121.036 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.008 0.000 1.125 495 N CA -0.683 52.380 53.050 0.022 0.000 0.783 495 N CB 5.093 43.609 38.487 0.049 0.000 1.558 495 N HN 0.314 8.698 8.380 0.007 0.000 0.472 496 T N -2.332 112.212 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.881 173.747 174.700 -0.119 0.000 0.991 496 T CA -1.436 60.635 62.100 -0.049 0.000 0.964 496 T CB 1.145 70.001 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.372 8.240 0.011 0.000 0.438 497 I N 6.809 127.255 120.570 -0.205 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.610 176.117 -0.177 0.000 0.992 497 I CA -0.852 60.209 61.300 -0.399 0.000 1.154 497 I CB 2.516 40.148 38.000 -0.612 0.000 1.315 497 I HN 0.774 8.787 8.210 -0.146 0.110 0.448 498 V N 7.398 127.228 119.914 -0.140 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.248 174.792 176.094 -0.091 0.000 1.038 498 V CA -1.524 60.743 62.300 -0.054 0.000 0.887 498 V CB 1.821 33.625 31.823 -0.032 0.000 0.991 498 V HN 0.281 8.371 8.190 -0.168 0.000 0.434 499 R N 7.731 128.205 120.500 -0.044 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.293 173.970 176.300 -0.063 0.000 0.987 499 R CA -2.568 53.442 56.100 -0.150 0.000 0.901 499 R CB 4.149 34.236 30.300 -0.355 0.000 1.207 499 R HN 0.222 8.529 8.270 0.063 0.000 0.463 500 N N 3.472 122.079 118.700 -0.155 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.134 176.485 175.510 -0.266 0.000 1.129 500 N CA -1.414 51.510 53.050 -0.210 0.000 0.931 500 N CB 1.481 39.819 38.487 -0.248 0.000 1.193 500 N HN 0.352 8.611 8.380 -0.202 0.000 0.500 501 H N 0.506 119.302 119.070 -0.457 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.131 177.314 175.328 -0.242 0.000 1.087 501 H CA 3.719 59.456 56.048 -0.518 0.000 1.330 501 H CB -0.045 28.950 29.762 -1.279 0.000 1.388 501 H HN 0.577 8.591 8.280 -0.443 0.000 0.526 502 Q N -1.158 117.941 119.800 -1.169 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.791 176.592 176.000 -0.332 0.000 0.981 502 Q CA 2.611 57.944 55.803 -0.783 0.000 0.856 502 Q CB -0.839 27.528 28.738 -0.618 0.000 0.902 502 Q HN 0.341 7.857 8.270 -1.202 0.033 0.425 503 D N -2.558 117.679 120.400 -0.272 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.488 176.726 176.300 -0.104 0.000 0.965 503 D CA 0.545 54.441 54.000 -0.173 0.000 0.879 503 D CB 0.166 40.850 40.800 -0.193 0.000 0.921 503 D HN -0.605 7.646 8.370 -0.322 -0.074 0.510 504 S N 0.705 116.367 115.700 -0.063 0.000 2.715 504 S HA -0.353 nan 4.470 nan 0.000 0.318 504 S C 0.806 175.397 174.600 -0.015 0.000 1.242 504 S CA 0.610 58.814 58.200 0.007 0.000 1.044 504 S CB 0.342 63.582 63.200 0.068 0.000 0.760 504 S HN -0.474 7.588 8.310 -0.095 0.191 0.501 505 S N 8.702 124.396 115.700 -0.011 0.000 2.453 505 S HA -0.172 nan 4.470 nan 0.000 0.231 505 S C 1.629 176.166 174.600 -0.105 0.000 1.005 505 S CA 3.260 61.441 58.200 -0.031 0.000 0.949 505 S CB 0.110 63.308 63.200 -0.004 0.000 0.774 505 S HN 0.142 8.760 8.310 0.021 -0.295 0.510 506 V N -6.274 113.524 119.914 -0.195 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.524 175.485 176.094 -0.140 0.000 1.065 506 V CA 1.433 63.466 62.300 -0.445 0.000 1.086 506 V CB -0.833 30.617 31.823 -0.621 0.000 0.700 506 V HN -0.630 7.447 8.190 -0.136 0.032 0.467 507 T N -3.846 110.708 114.554 0.000 0.000 2.945 507 T HA 0.536 nan 4.350 nan 0.000 0.286 507 T C -1.405 173.328 174.700 0.056 0.000 1.025 507 T CA -2.696 59.459 62.100 0.091 0.000 1.039 507 T CB 2.423 71.359 68.868 0.112 0.000 1.068 507 T HN -0.710 7.480 8.240 -0.018 0.039 0.497 508 I N 2.295 122.903 120.570 0.064 0.000 2.416 508 I HA 0.065 nan 4.170 nan 0.000 0.288 508 I C 0.002 176.107 176.117 -0.020 0.000 1.051 508 I CA -2.024 59.287 61.300 0.017 0.000 1.375 508 I CB 1.741 39.757 38.000 0.026 0.000 1.407 508 I HN 0.124 8.385 8.210 0.084 0.000 0.516 509 S N 9.416 125.081 115.700 -0.058 0.000 2.383 509 S HA -0.227 nan 4.470 nan 0.000 0.227 509 S C -0.142 174.414 174.600 -0.073 0.000 1.026 509 S CA 2.361 60.519 58.200 -0.070 0.000 0.981 509 S CB 0.464 63.608 63.200 -0.094 0.000 0.818 509 S HN 0.420 8.940 8.310 -0.071 -0.253 0.472 510 K N -1.357 118.978 120.400 -0.109 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.311 174.207 176.600 -0.137 0.000 0.935 510 K CA -0.060 56.168 56.287 -0.098 0.000 0.850 510 K CB 2.159 34.601 32.500 -0.097 0.000 1.372 510 K HN -0.804 7.358 8.250 -0.146 0.000 0.420 511 V N 2.109 121.980 119.914 -0.072 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.794 175.299 176.094 -0.001 0.000 1.024 511 V CA -1.819 60.448 62.300 -0.054 0.000 0.861 511 V CB 1.509 33.321 31.823 -0.017 0.000 0.985 511 V HN 0.104 8.270 8.190 -0.040 0.000 0.436 512 R N 6.825 127.370 120.500 0.075 0.000 2.390 512 R HA 0.170 nan 4.340 nan 0.000 0.291 512 R C -0.115 176.216 176.300 0.052 0.000 1.070 512 R CA -0.794 55.366 56.100 0.100 0.000 1.014 512 R CB 0.236 30.664 30.300 0.215 0.000 1.007 512 R HN 0.044 8.399 8.270 0.141 0.000 0.466 513 T N 1.902 116.477 114.554 0.034 0.000 2.868 513 T HA 0.205 nan 4.350 nan 0.000 0.292 513 T C 0.970 175.692 174.700 0.038 0.000 1.028 513 T CA -0.758 61.360 62.100 0.030 0.000 1.059 513 T CB 1.654 70.546 68.868 0.040 0.000 0.991 513 T HN 0.049 8.311 8.240 0.037 0.000 0.531 514 F N 5.560 125.375 119.950 -0.224 0.000 2.192 514 F HA -0.379 nan 4.527 nan 0.000 0.301 514 F C 1.268 176.942 175.800 -0.209 0.000 1.079 514 F CA 3.458 61.248 58.000 -0.349 0.000 1.303 514 F CB 0.205 38.681 39.000 -0.874 0.000 1.024 514 F HN 0.364 9.016 8.300 0.057 -0.318 0.494 515 D N -1.987 118.509 120.400 0.160 0.000 2.092 515 D HA -0.341 nan 4.640 nan 0.000 0.193 515 D C 2.495 178.845 176.300 0.084 0.000 0.994 515 D CA 3.472 57.556 54.000 0.141 0.000 0.828 515 D CB -0.754 40.115 40.800 0.115 0.000 0.963 515 D HN -0.432 8.020 8.370 0.123 -0.008 0.450 516 Q N -0.797 119.035 119.800 0.054 0.000 2.030 516 Q HA -0.293 nan 4.340 nan 0.000 0.204 516 Q C 2.969 178.975 176.000 0.011 0.000 0.986 516 Q CA 2.790 58.612 55.803 0.031 0.000 0.843 516 Q CB 0.111 28.869 28.738 0.033 0.000 0.904 516 Q HN -0.586 7.627 8.270 0.055 0.090 0.420 517 L N -1.346 119.868 121.223 -0.015 0.000 2.129 517 L HA -0.316 nan 4.340 nan 0.000 0.212 517 L C 2.181 179.019 176.870 -0.053 0.000 1.087 517 L CA 2.243 57.033 54.840 -0.083 0.000 0.757 517 L CB -0.781 41.164 42.059 -0.190 0.000 0.896 517 L HN 0.278 8.506 8.230 -0.004 0.000 0.434 518 G N -2.085 106.731 108.800 0.027 0.000 2.450 518 G HA2 -0.308 nan 3.960 nan 0.000 0.220 518 G HA3 -0.308 nan 3.960 nan 0.000 0.220 518 G C -0.207 174.710 174.900 0.028 0.000 1.130 518 G CA 0.970 46.108 45.100 0.065 0.000 0.760 518 G HN -0.066 8.052 8.290 0.067 0.212 0.557 519 A N 1.145 123.973 122.820 0.014 0.000 2.109 519 A HA 0.265 nan 4.320 nan 0.000 0.220 519 A C -0.412 177.162 177.584 -0.017 0.000 1.613 519 A CA 0.345 52.383 52.037 0.002 0.000 0.620 519 A CB 1.168 20.171 19.000 0.006 0.000 1.212 519 A HN -0.205 7.826 8.150 0.018 0.130 0.508 520 G N -1.852 106.934 108.800 -0.024 0.000 2.194 520 G HA2 -0.099 nan 3.960 nan 0.000 0.178 520 G HA3 -0.099 nan 3.960 nan 0.000 0.178 520 G C -1.814 173.070 174.900 -0.027 0.000 2.173 520 G CA -0.488 44.589 45.100 -0.039 0.000 1.042 520 G HN 0.017 8.298 8.290 -0.015 0.000 0.588 521 E N 0.965 121.152 120.200 -0.020 0.000 2.405 521 E HA 0.362 nan 4.350 nan 0.000 0.249 521 E C -0.827 175.779 176.600 0.009 0.000 1.028 521 E CA -0.684 55.719 56.400 0.005 0.000 0.897 521 E CB 1.456 31.177 29.700 0.035 0.000 1.262 521 E HN 0.078 8.417 8.360 -0.035 0.000 0.442 522 G N -0.321 108.497 108.800 0.030 0.000 4.566 522 G HA2 0.151 nan 3.960 nan 0.000 0.276 522 G HA3 0.151 nan 3.960 nan 0.000 0.276 522 G C -1.390 173.532 174.900 0.038 0.000 1.248 522 G CA 0.291 45.404 45.100 0.022 0.000 0.858 522 G HN 0.221 8.534 8.290 0.037 0.000 0.549 523 V N -0.052 119.918 119.914 0.093 0.000 2.374 523 V HA -0.107 nan 4.120 nan 0.000 0.241 523 V C -0.203 175.937 176.094 0.077 0.000 1.034 523 V CA 1.728 64.074 62.300 0.076 0.000 1.037 523 V CB 0.402 32.277 31.823 0.088 0.000 0.682 523 V HN 0.363 8.637 8.190 0.141 0.000 0.463 524 S N -0.870 114.908 115.700 0.131 0.000 4.572 524 S HA -0.098 nan 4.470 nan 0.000 0.234 524 S C -1.720 172.897 174.600 0.028 0.000 1.071 524 S CA 0.248 58.478 58.200 0.050 0.000 1.087 524 S CB 0.356 63.569 63.200 0.022 0.000 1.979 524 S HN -0.317 8.156 8.310 0.271 0.000 0.503 525 E N 1.389 121.582 120.200 -0.011 0.000 2.646 525 E HA 0.247 nan 4.350 nan 0.000 0.336 525 E C -1.841 174.716 176.600 -0.071 0.000 1.027 525 E CA 0.293 56.635 56.400 -0.096 0.000 0.765 525 E CB 1.714 31.338 29.700 -0.126 0.000 1.545 525 E HN -0.167 8.197 8.360 0.006 0.000 0.382 526 D N 2.872 123.251 120.400 -0.035 0.000 3.093 526 D HA 0.463 nan 4.640 nan 0.000 0.200 526 D C -0.757 175.509 176.300 -0.057 0.000 1.344 526 D CA -0.798 53.182 54.000 -0.034 0.000 1.133 526 D CB 3.016 43.816 40.800 0.000 0.000 1.188 526 D HN 0.095 8.455 8.370 -0.016 0.000 0.583 527 S N -0.702 114.977 115.700 -0.036 0.000 3.865 527 S HA 0.208 nan 4.470 nan 0.000 0.182 527 S C 1.744 176.325 174.600 -0.032 0.000 1.141 527 S CA 1.038 59.200 58.200 -0.063 0.000 1.257 527 S CB 0.712 63.865 63.200 -0.078 0.000 1.779 527 S HN 0.051 8.351 8.310 -0.016 0.000 0.816 528 T N 4.106 118.643 114.554 -0.028 0.000 2.951 528 T HA -0.148 nan 4.350 nan 0.000 0.268 528 T C 1.289 175.957 174.700 -0.055 0.000 1.073 528 T CA 4.455 66.567 62.100 0.021 0.000 1.134 528 T CB -0.212 68.707 68.868 0.085 0.000 0.884 528 T HN 0.547 8.756 8.240 -0.052 0.000 0.479 529 E N 0.307 120.471 120.200 -0.060 0.000 2.274 529 E HA -0.255 nan 4.350 nan 0.000 0.194 529 E C 1.855 178.411 176.600 -0.074 0.000 0.996 529 E CA 1.875 58.229 56.400 -0.076 0.000 0.840 529 E CB -1.429 28.245 29.700 -0.043 0.000 0.772 529 E HN -0.098 8.198 8.360 -0.061 0.027 0.491 530 Y N 2.653 122.861 120.300 -0.153 0.000 2.029 530 Y HA -0.508 nan 4.550 nan 0.000 0.269 530 Y C -0.220 175.613 175.900 -0.111 0.000 1.201 530 Y CA 3.594 61.622 58.100 -0.119 0.000 1.115 530 Y CB 0.127 38.514 38.460 -0.122 0.000 0.945 530 Y HN -0.329 7.791 8.280 0.064 0.198 0.497 531 C N -7.464 111.745 119.300 -0.152 0.000 3.730 531 C HA 0.239 nan 4.460 nan 0.000 0.397 531 C C 0.645 175.538 174.990 -0.161 0.000 1.468 531 C CA -2.249 56.589 59.018 -0.300 0.000 1.931 531 C CB 0.151 27.790 27.740 -0.169 0.000 2.773 531 C HN 0.284 8.531 8.230 0.028 0.000 0.692 532 S N 2.634 118.188 115.700 -0.244 0.000 2.361 532 S HA -0.213 nan 4.470 nan 0.000 0.214 532 S C 0.408 174.899 174.600 -0.183 0.000 1.034 532 S CA 2.579 60.455 58.200 -0.539 0.000 1.025 532 S CB 0.111 62.453 63.200 -1.430 0.000 0.996 532 S HN -0.231 7.937 8.310 -0.236 0.000 0.422 533 C N -0.509 118.706 119.300 -0.142 0.000 2.876 533 C HA -0.104 nan 4.460 nan 0.000 0.276 533 C C 0.148 175.372 174.990 0.390 0.000 1.582 533 C CA 1.441 60.612 59.018 0.254 0.000 2.061 533 C CB 0.483 28.337 27.740 0.190 0.000 2.044 533 C HN -0.318 7.635 8.230 -0.246 0.129 0.647 534 G N -0.594 108.554 108.800 0.580 0.000 2.728 534 G HA2 -0.334 nan 3.960 nan 0.000 0.686 534 G HA3 -0.334 nan 3.960 nan 0.000 0.686 534 G C -1.413 173.694 174.900 0.345 0.000 1.337 534 G CA -0.546 44.803 45.100 0.415 0.000 0.861 534 G HN 0.130 8.826 8.290 0.678 0.000 0.597 535 W N 2.029 123.308 121.300 -0.035 0.000 2.190 535 W HA 0.034 nan 4.660 nan 0.000 0.330 535 W C -1.322 175.153 176.519 -0.073 0.000 1.299 535 W CA -1.773 55.478 57.345 -0.157 0.000 1.215 535 W CB 1.183 30.687 29.460 0.073 0.000 1.147 535 W HN 0.641 8.974 8.180 0.413 0.095 0.563 536 P HA -0.175 nan 4.420 nan 0.000 0.266 536 P C -1.006 176.138 177.300 -0.260 0.000 1.195 536 P CA 0.347 63.243 63.100 -0.339 0.000 0.768 536 P CB 0.379 31.731 31.700 -0.580 0.000 0.838 537 E N 4.012 124.149 120.200 -0.104 0.000 2.077 537 E HA -0.397 nan 4.350 nan 0.000 0.193 537 E C 2.044 178.679 176.600 0.058 0.000 0.989 537 E CA 3.453 59.881 56.400 0.046 0.000 0.800 537 E CB 0.050 29.795 29.700 0.076 0.000 0.746 537 E HN 0.718 9.038 8.360 -0.066 0.000 0.452 538 H N -3.326 115.770 119.070 0.043 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.799 177.277 175.328 0.251 0.000 1.087 538 H CA 2.416 58.510 56.048 0.078 0.000 1.330 538 H CB -0.741 29.060 29.762 0.065 0.000 1.388 538 H HN 0.224 8.458 8.280 -0.077 0.000 0.526 539 M N -1.996 117.520 119.600 -0.139 0.000 2.630 539 M HA -0.093 nan 4.480 nan 0.000 0.254 539 M C 1.705 178.214 176.300 0.348 0.000 1.092 539 M CA -0.378 54.979 55.300 0.095 0.000 1.087 539 M CB -1.534 30.966 32.600 -0.167 0.000 1.453 539 M HN -0.699 7.174 8.290 -0.616 0.047 0.509 540 L N -0.030 121.420 121.223 0.377 0.000 2.043 540 L HA -0.275 nan 4.340 nan 0.000 0.212 540 L C -0.458 176.534 176.870 0.203 0.000 1.075 540 L CA 2.938 57.988 54.840 0.350 0.000 0.752 540 L CB 0.232 42.532 42.059 0.401 0.000 0.891 540 L HN -0.513 7.771 8.230 0.384 0.176 0.432 541 I N -4.499 116.132 120.570 0.102 0.000 2.797 541 I HA 0.211 nan 4.170 nan 0.000 0.307 541 I C -2.431 173.706 176.117 0.034 0.000 1.033 541 I CA -3.669 57.606 61.300 -0.042 0.000 1.071 541 I CB 0.704 38.557 38.000 -0.244 0.000 1.255 541 I HN -0.557 7.758 8.210 0.188 0.008 0.445 542 P HA 0.120 nan 4.420 nan 0.000 0.272 542 P C -1.253 176.063 177.300 0.026 0.000 1.240 542 P CA -0.602 62.495 63.100 -0.005 0.000 0.791 542 P CB 0.640 32.272 31.700 -0.113 0.000 0.978 543 R N 0.620 121.177 120.500 0.096 0.000 2.081 543 R HA -0.316 nan 4.340 nan 0.000 0.235 543 R C 0.642 176.999 176.300 0.096 0.000 1.131 543 R CA 1.524 57.649 56.100 0.041 0.000 0.960 543 R CB 0.682 30.852 30.300 -0.218 0.000 0.856 543 R HN -0.136 8.467 8.270 0.162 -0.236 0.436 544 G N -2.128 106.750 108.800 0.130 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.007 173.986 174.900 0.154 0.000 1.312 544 G CA -0.320 44.914 45.100 0.223 0.000 0.896 544 G HN -0.665 7.707 8.290 0.137 0.000 0.574 545 S N -0.558 115.242 115.700 0.167 0.000 2.685 545 S HA 0.306 nan 4.470 nan 0.000 0.282 545 S C 0.207 174.925 174.600 0.196 0.000 1.159 545 S CA -1.579 56.712 58.200 0.152 0.000 0.833 545 S CB 2.843 66.094 63.200 0.085 0.000 1.151 545 S HN -0.400 8.019 8.310 0.181 0.000 0.485 546 H N 4.135 123.285 119.070 0.134 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.559 174.809 175.328 0.067 0.000 1.087 546 H CA 3.201 59.318 56.048 0.115 0.000 1.330 546 H CB 0.336 30.147 29.762 0.081 0.000 1.388 546 H HN 0.703 9.155 8.280 0.286 0.000 0.526 547 K N -5.595 114.887 120.400 0.138 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.162 176.771 176.600 0.016 0.000 1.050 547 K CA 0.301 56.626 56.287 0.064 0.000 0.945 547 K CB -0.143 32.374 32.500 0.028 0.000 0.732 547 K HN -0.221 8.119 8.250 0.169 0.012 0.451 548 G N 0.835 109.654 108.800 0.033 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.386 173.550 174.900 0.061 0.000 1.013 548 G CA -0.533 44.595 45.100 0.046 0.000 1.226 548 G HN -0.423 7.719 8.290 0.060 0.183 0.563 549 M N 2.104 121.770 119.600 0.110 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.492 174.879 176.300 0.119 0.000 1.130 549 M CA 0.541 55.879 55.300 0.064 0.000 1.162 549 M CB 2.194 34.851 32.600 0.095 0.000 1.497 549 M HN 0.077 8.465 8.290 0.163 0.000 0.456 550 E N 3.249 123.464 120.200 0.025 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.932 175.548 176.600 -0.200 0.000 1.015 550 E CA -0.174 56.273 56.400 0.078 0.000 0.823 550 E CB 1.319 31.132 29.700 0.190 0.000 1.081 550 E HN 0.225 8.594 8.360 0.015 0.000 0.396 551 F N 3.086 123.070 119.950 0.058 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.595 174.229 175.800 0.040 0.000 1.078 551 F CA -1.374 56.644 58.000 0.030 0.000 0.921 551 F CB 4.359 43.370 39.000 0.019 0.000 1.232 551 F HN 0.594 9.072 8.300 0.297 0.000 0.459 552 E N 1.527 121.855 120.200 0.213 0.000 2.313 552 E HA 0.433 nan 4.350 nan 0.000 0.276 552 E C -1.839 174.931 176.600 0.283 0.000 1.031 552 E CA -0.833 55.694 56.400 0.211 0.000 0.857 552 E CB 2.406 32.229 29.700 0.205 0.000 1.040 552 E HN 0.817 9.176 8.360 0.153 0.093 0.408 553 L N 6.887 128.261 121.223 0.252 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.775 176.870 0.288 0.000 1.013 553 L CA -0.794 54.190 54.840 0.240 0.000 0.819 553 L CB 2.354 44.507 42.059 0.156 0.000 1.227 553 L HN 0.400 8.655 8.230 0.210 0.101 0.417 554 F N 9.498 129.563 119.950 0.191 0.000 2.467 554 F HA 0.673 nan 4.527 nan 0.000 0.336 554 F C -2.408 173.476 175.800 0.139 0.000 1.123 554 F CA -1.925 56.188 58.000 0.188 0.000 0.964 554 F CB 3.538 42.700 39.000 0.270 0.000 1.136 554 F HN 0.764 9.325 8.300 0.434 0.000 0.447 555 V N 8.475 128.021 119.914 -0.612 0.000 2.588 555 V HA 0.722 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.138 176.094 -0.707 0.000 1.042 555 V CA -1.440 60.594 62.300 -0.445 0.000 0.877 555 V CB 2.943 34.600 31.823 -0.277 0.000 0.996 555 V HN 0.990 8.692 8.190 -0.814 0.000 0.425 556 M N 5.547 124.927 119.600 -0.367 0.000 2.457 556 M HA 0.855 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.577 176.300 -0.126 0.000 1.141 556 M CA -1.287 53.871 55.300 -0.237 0.000 0.901 556 M CB 4.395 37.013 32.600 0.030 0.000 1.687 556 M HN 0.669 8.850 8.290 -0.181 0.000 0.449 557 L N 5.241 126.400 121.223 -0.107 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.709 175.097 176.870 -0.106 0.000 1.006 557 L CA -0.750 54.008 54.840 -0.138 0.000 0.817 557 L CB 1.951 43.913 42.059 -0.162 0.000 1.272 557 L HN 0.438 8.612 8.230 -0.093 0.000 0.421 558 T N 2.231 116.684 114.554 -0.169 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.923 172.542 174.700 -0.391 0.000 1.064 558 T CA -1.674 60.333 62.100 -0.154 0.000 1.011 558 T CB 3.250 72.103 68.868 -0.024 0.000 1.152 558 T HN -0.007 8.112 8.240 -0.201 0.000 0.510 559 D N 1.174 121.366 120.400 -0.346 0.000 2.358 559 D HA 0.044 nan 4.640 nan 0.000 0.258 559 D C 0.398 176.661 176.300 -0.062 0.000 1.223 559 D CA -0.537 53.266 54.000 -0.328 0.000 0.886 559 D CB 0.557 41.484 40.800 0.210 0.000 1.120 559 D HN 0.378 8.700 8.370 -0.081 0.000 0.482 560 H N 8.653 127.695 119.070 -0.047 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.729 177.081 175.328 0.041 0.000 1.081 560 H CA 4.085 60.181 56.048 0.080 0.000 1.345 560 H CB 0.634 30.614 29.762 0.363 0.000 1.393 560 H HN 0.247 8.571 8.280 0.074 0.000 0.520 561 D N -0.531 119.940 120.400 0.119 0.000 2.123 561 D HA -0.263 nan 4.640 nan 0.000 0.196 561 D C 1.793 178.057 176.300 -0.061 0.000 0.992 561 D CA 3.116 57.136 54.000 0.032 0.000 0.833 561 D CB -0.499 40.364 40.800 0.106 0.000 0.954 561 D HN -0.112 8.678 8.370 0.218 -0.289 0.455 562 E N -0.890 119.290 120.200 -0.033 0.000 2.047 562 E HA -0.220 nan 4.350 nan 0.000 0.191 562 E C 1.268 177.787 176.600 -0.135 0.000 0.987 562 E CA 2.189 58.554 56.400 -0.059 0.000 0.799 562 E CB 0.231 29.914 29.700 -0.028 0.000 0.752 562 E HN -0.480 7.891 8.360 0.022 0.002 0.449 563 D N -2.055 118.227 120.400 -0.196 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.251 176.378 176.300 -0.289 0.000 0.984 563 D CA 1.862 55.722 54.000 -0.233 0.000 0.834 563 D CB 0.441 41.107 40.800 -0.224 0.000 0.955 563 D HN -0.470 7.734 8.370 -0.168 0.065 0.465 564 T N -0.966 113.310 114.554 -0.464 0.000 2.899 564 T HA 0.065 nan 4.350 nan 0.000 0.284 564 T C -0.023 174.557 174.700 -0.200 0.000 1.004 564 T CA 0.087 61.963 62.100 -0.374 0.000 1.043 564 T CB 0.852 69.430 68.868 -0.482 0.000 1.013 564 T HN -0.300 7.591 8.240 -0.580 0.000 0.518 565 V N -0.146 119.688 119.914 -0.134 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.031 175.019 176.094 -0.074 0.000 1.060 565 V CA -2.908 59.342 62.300 -0.083 0.000 0.989 565 V CB 1.371 33.164 31.823 -0.051 0.000 1.041 565 V HN 0.111 8.220 8.190 -0.135 0.000 0.459 566 A N 2.198 124.986 122.820 -0.053 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.630 176.935 177.584 -0.032 0.000 1.155 566 A CA -0.395 51.614 52.037 -0.046 0.000 0.814 566 A CB 1.622 20.598 19.000 -0.040 0.000 1.206 566 A HN 0.371 8.495 8.150 -0.045 0.000 0.482 567 G N -1.075 107.708 108.800 -0.030 0.000 2.322 567 G HA2 0.083 nan 3.960 nan 0.000 0.295 567 G HA3 0.083 nan 3.960 nan 0.000 0.295 567 G C -1.971 172.917 174.900 -0.021 0.000 1.369 567 G CA -0.202 44.887 45.100 -0.019 0.000 0.821 567 G HN -0.124 8.145 8.290 -0.036 0.000 0.536 568 L N 0.832 122.047 121.223 -0.014 0.000 2.415 568 L HA 0.406 nan 4.340 nan 0.000 0.268 568 L C -0.483 176.380 176.870 -0.010 0.000 0.984 568 L CA 0.218 55.049 54.840 -0.015 0.000 0.853 568 L CB 1.002 43.054 42.059 -0.012 0.000 1.215 568 L HN 0.256 8.481 8.230 -0.008 0.000 0.419 569 S N 3.636 119.327 115.700 -0.015 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.006 173.586 174.600 -0.014 0.000 1.051 569 S CA -0.903 57.290 58.200 -0.011 0.000 1.729 569 S CB 1.026 64.219 63.200 -0.013 0.000 0.892 569 S HN 0.344 8.642 8.310 -0.021 0.000 0.720 570 E N 1.247 121.437 120.200 -0.016 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.866 175.722 176.600 -0.020 0.000 1.028 570 E CA -0.679 55.711 56.400 -0.016 0.000 0.897 570 E CB 1.535 31.227 29.700 -0.015 0.000 1.262 570 E HN 0.143 8.493 8.360 -0.018 0.000 0.442 571 N N -0.894 117.794 118.700 -0.019 0.000 2.235 571 N HA -0.107 nan 4.740 nan 0.000 0.231 571 N C -1.201 174.297 175.510 -0.021 0.000 1.330 571 N CA -0.073 52.965 53.050 -0.021 0.000 0.898 571 N CB 0.450 38.926 38.487 -0.019 0.000 1.151 571 N HN -0.103 8.266 8.380 -0.017 0.000 0.472 572 A N -0.841 121.966 122.820 -0.022 0.000 2.476 572 A HA -0.012 nan 4.320 nan 0.000 0.275 572 A C -1.421 176.153 177.584 -0.017 0.000 1.133 572 A CA 0.526 52.551 52.037 -0.021 0.000 0.797 572 A CB 0.023 19.011 19.000 -0.021 0.000 1.081 572 A HN 0.153 8.290 8.150 -0.021 0.000 0.510 573 V N 3.109 123.012 119.914 -0.018 0.000 3.528 573 V HA 0.303 nan 4.120 nan 0.000 0.301 573 V C -0.792 175.293 176.094 -0.015 0.000 1.332 573 V CA -2.180 60.112 62.300 -0.013 0.000 1.004 573 V CB 3.686 35.500 31.823 -0.016 0.000 1.222 573 V HN -0.127 8.051 8.190 -0.021 0.000 0.478 574 C N 2.141 121.433 119.300 -0.012 0.000 2.551 574 C HA 0.215 nan 4.460 nan 0.000 0.378 574 C C 0.255 175.239 174.990 -0.010 0.000 1.101 574 C CA 0.267 59.276 59.018 -0.015 0.000 1.360 574 C CB -2.861 24.873 27.740 -0.010 0.000 1.895 574 C HN 0.092 8.315 8.230 -0.010 0.000 0.540 575 S N 6.551 122.241 115.700 -0.016 0.000 2.679 575 S HA 0.082 nan 4.470 nan 0.000 0.258 575 S C 0.919 175.512 174.600 -0.011 0.000 1.068 575 S CA 0.906 59.098 58.200 -0.013 0.000 1.115 575 S CB 1.362 64.548 63.200 -0.023 0.000 1.078 575 S HN 0.444 8.713 8.310 -0.023 0.027 0.603 576 D N 3.907 124.296 120.400 -0.019 0.000 2.370 576 D HA -0.356 nan 4.640 nan 0.000 0.190 576 D C -0.299 175.997 176.300 -0.007 0.000 1.019 576 D CA 2.966 56.953 54.000 -0.023 0.000 0.869 576 D CB -0.025 40.751 40.800 -0.041 0.000 0.944 576 D HN 0.370 8.724 8.370 -0.027 0.000 0.456 577 A N -3.277 119.552 122.820 0.016 0.000 2.462 577 A HA 0.223 nan 4.320 nan 0.000 0.261 577 A C 1.184 178.818 177.584 0.082 0.000 1.323 577 A CA -0.520 51.547 52.037 0.051 0.000 0.913 577 A CB -0.306 18.759 19.000 0.108 0.000 1.028 577 A HN -0.182 7.966 8.150 0.015 0.012 0.511 578 V N -2.903 117.036 119.914 0.042 0.000 2.370 578 V HA -0.540 nan 4.120 nan 0.000 0.252 578 V C 1.925 178.092 176.094 0.122 0.000 1.068 578 V CA 3.414 65.739 62.300 0.042 0.000 1.061 578 V CB -1.347 30.432 31.823 -0.073 0.000 0.656 578 V HN -0.200 7.915 8.190 0.013 0.083 0.455 579 S N 2.117 117.854 115.700 0.061 0.000 2.374 579 S HA -0.342 nan 4.470 nan 0.000 0.227 579 S C 2.099 176.936 174.600 0.395 0.000 1.037 579 S CA 3.909 62.176 58.200 0.112 0.000 1.024 579 S CB -0.051 63.044 63.200 -0.176 0.000 0.861 579 S HN -0.455 7.818 8.310 -0.018 0.027 0.456 580 Y N -1.322 119.184 120.300 0.343 0.000 2.558 580 Y HA 0.159 nan 4.550 nan 0.000 0.273 580 Y C 1.550 177.753 175.900 0.506 0.000 1.100 580 Y CA 0.182 58.530 58.100 0.413 0.000 1.276 580 Y CB -0.004 38.654 38.460 0.330 0.000 1.196 580 Y HN -0.720 7.678 8.280 0.229 0.020 0.527 581 C N -3.788 115.867 119.300 0.593 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.327 175.564 174.990 0.413 0.000 1.358 581 C CA 1.884 61.199 59.018 0.495 0.000 1.747 581 C CB -0.082 27.882 27.740 0.372 0.000 2.037 581 C HN -0.323 8.195 8.230 0.480 0.000 0.503 582 G N -1.136 107.894 108.800 0.384 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.393 172.591 174.900 0.139 0.000 1.345 582 G CA -0.586 44.712 45.100 0.329 0.000 0.877 582 G HN -0.346 8.030 8.290 0.359 0.129 0.549 583 A N -0.248 122.619 122.820 0.077 0.000 2.380 583 A HA 0.306 nan 4.320 nan 0.000 0.315 583 A C -0.916 176.670 177.584 0.003 0.000 1.101 583 A CA -1.552 50.494 52.037 0.015 0.000 0.771 583 A CB 2.588 21.573 19.000 -0.024 0.000 1.287 583 A HN 0.221 8.439 8.150 0.114 0.000 0.436 584 R N 2.156 122.643 120.500 -0.022 0.000 2.484 584 R HA -0.286 nan 4.340 nan 0.000 0.293 584 R C -0.159 176.122 176.300 -0.033 0.000 1.023 584 R CA 0.946 57.017 56.100 -0.048 0.000 1.037 584 R CB -0.255 30.016 30.300 -0.047 0.000 0.951 584 R HN 0.336 8.595 8.270 -0.018 0.000 0.418 585 D N 3.964 124.341 120.400 -0.038 0.000 2.701 585 D HA -0.290 nan 4.640 nan 0.000 0.235 585 D C -1.634 174.668 176.300 0.003 0.000 1.155 585 D CA 1.545 55.541 54.000 -0.006 0.000 0.649 585 D CB -0.444 40.363 40.800 0.011 0.000 1.050 585 D HN 0.243 8.571 8.370 -0.070 0.000 0.425 586 D N -1.920 118.483 120.400 0.005 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.547 176.300 0.035 0.000 1.178 586 D CA -1.176 52.830 54.000 0.011 0.000 0.881 586 D CB 2.378 43.175 40.800 -0.007 0.000 1.453 586 D HN -0.782 7.580 8.370 0.003 0.009 0.447 587 R N 2.887 123.408 120.500 0.034 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.772 175.578 176.300 0.083 0.000 1.078 587 R CA -0.190 55.950 56.100 0.067 0.000 1.127 587 R CB 1.094 31.422 30.300 0.047 0.000 1.038 587 R HN 0.391 8.672 8.270 0.018 0.000 0.500 588 Y N 3.881 124.192 120.300 0.017 0.000 2.632 588 Y HA -0.066 nan 4.550 nan 0.000 0.329 588 Y C -1.717 174.180 175.900 -0.006 0.000 1.174 588 Y CA -1.571 56.539 58.100 0.017 0.000 1.469 588 Y CB 1.002 39.469 38.460 0.013 0.000 1.242 588 Y HN 0.244 8.674 8.280 0.251 0.000 0.540 589 P HA -0.082 nan 4.420 nan 0.000 0.239 589 P C -1.992 175.182 177.300 -0.210 0.000 1.184 589 P CA 0.771 63.703 63.100 -0.280 0.000 0.760 589 P CB 0.241 31.774 31.700 -0.278 0.000 0.884 590 D N -3.552 116.771 120.400 -0.128 0.000 2.505 590 D HA 0.095 nan 4.640 nan 0.000 0.249 590 D C -0.902 175.456 176.300 0.096 0.000 1.082 590 D CA -1.643 52.364 54.000 0.012 0.000 0.839 590 D CB 2.317 43.180 40.800 0.105 0.000 1.317 590 D HN -0.943 7.337 8.370 -0.037 0.068 0.497 591 K N 3.990 124.374 120.400 -0.026 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.996 177.552 176.600 -0.073 0.000 1.050 591 K CA 1.180 57.437 56.287 -0.049 0.000 0.938 591 K CB 0.505 32.946 32.500 -0.097 0.000 0.718 591 K HN 0.279 8.378 8.250 -0.082 0.101 0.442 592 K N -0.909 119.416 120.400 -0.125 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.351 176.201 176.600 -0.081 0.000 0.990 592 K CA -0.023 56.132 56.287 -0.221 0.000 0.946 592 K CB 0.322 32.585 32.500 -0.395 0.000 0.937 592 K HN -0.608 7.857 8.250 -0.119 -0.287 0.491 593 A N 1.115 123.903 122.820 -0.054 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.363 177.974 177.584 0.045 0.000 1.070 593 A CA 0.292 52.337 52.037 0.013 0.000 0.770 593 A CB 0.456 19.509 19.000 0.088 0.000 1.008 593 A HN 0.211 8.295 8.150 -0.110 0.000 0.497 594 M N 2.624 122.190 119.600 -0.057 0.000 2.246 594 M HA -0.312 nan 4.480 nan 0.000 0.350 594 M C 0.809 177.147 176.300 0.063 0.000 1.406 594 M CA 2.181 57.352 55.300 -0.214 0.000 1.089 594 M CB -0.035 32.173 32.600 -0.654 0.000 1.782 594 M HN -0.215 8.266 8.290 -0.066 -0.230 0.457 595 G N 0.987 109.902 108.800 0.192 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.719 174.291 174.900 0.184 0.000 0.986 595 G CA -0.427 44.909 45.100 0.393 0.000 0.643 595 G HN 0.294 8.673 8.290 0.149 0.000 0.522 596 F N 3.325 123.283 119.950 0.014 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.423 175.800 -0.303 0.000 1.126 596 F CA -0.962 56.947 58.000 -0.152 0.000 1.321 596 F CB 1.125 40.040 39.000 -0.142 0.000 1.094 596 F HN -0.515 7.908 8.300 0.317 0.067 0.594 597 P HA -0.048 nan 4.420 nan 0.000 0.245 597 P C 0.016 176.632 177.300 -1.140 0.000 1.212 597 P CA 0.978 62.926 63.100 -1.921 0.000 0.774 597 P CB -0.072 30.577 31.700 -1.751 0.000 0.999 598 F N -0.799 118.774 119.950 -0.629 0.000 2.407 598 F HA -0.338 nan 4.527 nan 0.000 0.299 598 F C 0.522 176.229 175.800 -0.155 0.000 1.097 598 F CA 2.873 60.587 58.000 -0.477 0.000 1.422 598 F CB -0.927 37.743 39.000 -0.551 0.000 1.067 598 F HN -0.043 7.637 8.300 -0.896 0.083 0.539 599 D N -2.821 117.648 120.400 0.116 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.369 176.754 176.300 0.143 0.000 0.980 599 D CA 2.180 56.294 54.000 0.189 0.000 0.842 599 D CB -0.451 40.485 40.800 0.227 0.000 0.948 599 D HN 0.022 8.381 8.370 0.063 0.049 0.472 600 R N -1.585 119.004 120.500 0.147 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.361 175.951 176.300 0.020 0.000 1.048 600 R CA -1.207 54.913 56.100 0.035 0.000 1.086 600 R CB 1.501 31.697 30.300 -0.174 0.000 1.166 600 R HN -0.896 7.527 8.270 0.255 0.000 0.526 601 K N 0.904 121.305 120.400 0.001 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.659 175.950 176.600 0.016 0.000 0.999 601 K CA 0.522 56.812 56.287 0.006 0.000 0.980 601 K CB 0.384 32.884 32.500 -0.000 0.000 0.919 601 K HN 0.261 8.502 8.250 -0.014 0.000 0.484 602 I N 4.999 125.572 120.570 0.005 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.785 175.369 176.117 0.061 0.000 0.994 602 I CA -0.690 60.626 61.300 0.026 0.000 1.158 602 I CB 1.024 38.967 38.000 -0.095 0.000 1.315 602 I HN 0.135 8.344 8.210 -0.002 0.000 0.451 603 E N 7.042 127.307 120.200 0.108 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.227 176.422 176.600 0.081 0.000 0.984 603 E CA 1.862 58.312 56.400 0.084 0.000 0.806 603 E CB 0.443 30.198 29.700 0.091 0.000 0.750 603 E HN 0.379 8.836 8.360 0.161 0.000 0.458 604 A N -3.005 119.886 122.820 0.118 0.000 2.407 604 A HA 0.046 nan 4.320 nan 0.000 0.248 604 A C 0.640 178.267 177.584 0.070 0.000 1.082 604 A CA 0.305 52.404 52.037 0.103 0.000 0.785 604 A CB 0.546 19.637 19.000 0.151 0.000 1.020 604 A HN -0.409 7.818 8.150 0.172 0.026 0.489 605 R N -0.187 120.344 120.500 0.052 0.000 2.090 605 R HA -0.143 nan 4.340 nan 0.000 0.228 605 R C -0.008 176.312 176.300 0.033 0.000 1.110 605 R CA 1.307 57.426 56.100 0.033 0.000 0.973 605 R CB 0.311 30.625 30.300 0.023 0.000 0.869 605 R HN 0.473 8.775 8.270 0.054 0.000 0.440 606 T N -4.003 110.582 114.554 0.052 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.622 174.135 174.700 0.095 0.000 1.034 606 T CA -2.119 60.013 62.100 0.053 0.000 1.010 606 T CB 2.798 71.693 68.868 0.044 0.000 1.068 606 T HN -0.935 7.344 8.240 0.064 0.000 0.481 607 A N 4.947 127.827 122.820 0.099 0.000 1.933 607 A HA -0.167 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.310 177.584 0.203 0.000 1.175 607 A CA 3.100 55.228 52.037 0.151 0.000 0.628 607 A CB -0.186 18.912 19.000 0.163 0.000 0.814 607 A HN 0.429 8.620 8.150 0.069 0.000 0.444 608 A N -2.276 120.634 122.820 0.151 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.044 177.584 0.139 0.000 1.176 608 A CA 2.739 54.862 52.037 0.144 0.000 0.631 608 A CB -0.640 18.416 19.000 0.093 0.000 0.814 608 A HN -0.341 7.856 8.150 0.113 0.021 0.446 609 E N -1.885 118.390 120.200 0.126 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.716 176.600 0.110 0.000 0.988 609 E CA 1.953 58.412 56.400 0.098 0.000 0.811 609 E CB -0.191 29.561 29.700 0.087 0.000 0.746 609 E HN -0.562 7.758 8.360 0.122 0.114 0.466 610 F N -2.745 117.227 119.950 0.036 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.288 175.532 175.800 0.033 0.000 1.090 610 F CA 1.412 59.424 58.000 0.020 0.000 1.307 610 F CB 0.623 39.618 39.000 -0.009 0.000 1.019 610 F HN -0.681 7.643 8.300 0.310 0.162 0.489 611 L N -1.000 120.305 121.223 0.136 0.000 2.525 611 L HA -0.129 nan 4.340 nan 0.000 0.278 611 L C 0.389 177.223 176.870 -0.060 0.000 1.218 611 L CA 0.852 55.753 54.840 0.102 0.000 0.878 611 L CB -0.158 41.994 42.059 0.155 0.000 1.127 611 L HN -0.708 7.497 8.230 0.214 0.153 0.492 612 T N -0.334 114.177 114.554 -0.071 0.000 2.910 612 T HA 0.477 nan 4.350 nan 0.000 0.279 612 T C -0.603 174.083 174.700 -0.023 0.000 0.989 612 T CA -3.105 58.951 62.100 -0.075 0.000 0.968 612 T CB 0.475 69.292 68.868 -0.085 0.000 1.135 612 T HN -0.515 7.716 8.240 -0.014 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.755 176.545 177.300 0.000 0.000 1.151 613 P CA 1.934 65.030 63.100 -0.007 0.000 0.787 613 P CB 0.136 31.832 31.700 -0.007 0.000 0.788 614 N N -4.039 114.670 118.700 0.015 0.000 2.327 614 N HA 0.017 nan 4.740 nan 0.000 0.231 614 N C -1.596 173.885 175.510 -0.048 0.000 1.130 614 N CA -0.829 52.232 53.050 0.017 0.000 0.845 614 N CB -0.280 38.264 38.487 0.095 0.000 1.073 614 N HN -0.459 7.890 8.380 0.017 0.041 0.496 615 M N -1.144 118.412 119.600 -0.074 0.000 2.619 615 M HA 0.588 nan 4.480 nan 0.000 0.297 615 M C -1.417 174.763 176.300 -0.200 0.000 1.229 615 M CA -0.416 54.764 55.300 -0.199 0.000 0.860 615 M CB 5.271 37.878 32.600 0.012 0.000 1.741 615 M HN -0.693 7.480 8.290 -0.041 0.093 0.462 616 G N -1.023 107.549 108.800 -0.381 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.575 171.244 174.900 -0.135 0.000 1.436 616 G CA 0.127 45.125 45.100 -0.169 0.000 0.928 616 G HN 0.467 8.275 8.290 -0.804 0.000 0.520 617 L N 0.159 121.411 121.223 0.048 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.879 176.051 176.870 0.101 0.000 0.988 617 L CA -0.614 54.314 54.840 0.147 0.000 0.824 617 L CB 3.029 45.234 42.059 0.244 0.000 1.263 617 L HN 0.053 8.315 8.230 0.054 0.000 0.410 618 T N 5.753 120.370 114.554 0.106 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.781 174.700 0.104 0.000 0.993 618 T CA -1.188 60.964 62.100 0.086 0.000 0.967 618 T CB 2.130 71.044 68.868 0.075 0.000 0.960 618 T HN 0.744 8.950 8.240 0.131 0.113 0.441 619 D N 4.554 125.005 120.400 0.086 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.326 176.300 0.087 0.000 1.114 619 D CA -0.930 53.125 54.000 0.091 0.000 0.854 619 D CB 0.494 41.334 40.800 0.066 0.000 1.132 619 D HN 0.057 8.469 8.370 0.070 0.000 0.461 620 I N -4.506 116.129 120.570 0.109 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.878 174.313 176.117 0.124 0.000 1.095 620 I CA -2.569 58.781 61.300 0.083 0.000 1.000 620 I CB 3.831 41.855 38.000 0.040 0.000 1.229 620 I HN 0.395 8.692 8.210 0.145 0.000 0.454 621 K N -0.632 119.821 120.400 0.088 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.577 175.080 176.600 0.095 0.000 0.942 621 K CA -2.228 54.134 56.287 0.124 0.000 0.816 621 K CB 3.058 35.602 32.500 0.073 0.000 1.155 621 K HN 0.266 8.541 8.250 0.041 0.000 0.428 622 I N 2.696 123.364 120.570 0.165 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.041 174.142 176.117 0.109 0.000 0.999 622 I CA -0.984 60.367 61.300 0.084 0.000 1.129 622 I CB 1.939 39.958 38.000 0.032 0.000 1.288 622 I HN 0.699 9.076 8.210 0.278 0.000 0.444 623 K N 5.119 125.555 120.400 0.060 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.777 174.872 176.600 0.081 0.000 0.934 623 K CA -2.342 53.974 56.287 0.047 0.000 0.801 623 K CB 2.773 35.242 32.500 -0.051 0.000 1.137 623 K HN 0.570 8.839 8.250 0.031 0.000 0.424 624 F N 4.895 124.844 119.950 -0.002 0.000 2.375 624 F HA 0.344 nan 4.527 nan 0.000 0.333 624 F C -1.650 174.196 175.800 0.076 0.000 1.104 624 F CA -0.973 57.049 58.000 0.037 0.000 1.149 624 F CB 2.670 41.690 39.000 0.032 0.000 1.190 624 F HN 0.545 8.824 8.300 0.252 0.171 0.533 625 H N 7.092 125.517 119.070 -1.075 0.000 2.481 625 H HA 0.310 nan 4.556 nan 0.000 0.333 625 H C -1.223 173.671 175.328 -0.723 0.000 1.066 625 H CA -1.699 53.986 56.048 -0.606 0.000 1.209 625 H CB 3.258 32.755 29.762 -0.442 0.000 1.445 625 H HN 0.333 7.502 8.280 -1.852 0.000 0.488 626 G N 0.000 108.525 108.800 -0.459 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.009 45.100 -0.152 0.000 0.502 626 G HN 0.000 8.007 8.290 -0.472 0.000 0.925