REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ixw_1_C 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 0.000 174.561 174.700 -0.232 0.000 1.109 1 T CA 0.000 62.037 62.100 -0.104 0.000 1.349 1 T CB 0.000 68.832 68.868 -0.060 0.000 0.612 2 V N 1.906 121.643 119.914 -0.295 0.000 2.759 2 V HA -0.137 nan 4.120 nan 0.000 0.256 2 V C 1.215 177.150 176.094 -0.266 0.000 1.080 2 V CA 2.454 64.517 62.300 -0.396 0.000 1.101 2 V CB -0.527 31.078 31.823 -0.364 0.000 0.698 2 V HN 0.562 8.616 8.190 -0.227 0.000 0.477 3 A N 0.177 122.902 122.820 -0.158 0.000 1.835 3 A HA -0.314 nan 4.320 nan 0.000 0.215 3 A C 0.528 178.073 177.584 -0.064 0.000 1.199 3 A CA 3.551 55.529 52.037 -0.098 0.000 0.615 3 A CB -0.855 18.112 19.000 -0.055 0.000 0.838 3 A HN -0.085 7.969 8.150 -0.139 0.013 0.444 4 D N -1.869 118.517 120.400 -0.024 0.000 2.263 4 D HA -0.271 nan 4.640 nan 0.000 0.208 4 D C 2.149 178.517 176.300 0.114 0.000 0.971 4 D CA 2.838 56.870 54.000 0.054 0.000 0.867 4 D CB -0.653 40.199 40.800 0.087 0.000 0.929 4 D HN 0.049 8.400 8.370 -0.032 0.000 0.492 5 K N 0.457 120.852 120.400 -0.009 0.000 2.001 5 K HA -0.482 nan 4.320 nan 0.000 0.214 5 K C 2.371 179.027 176.600 0.092 0.000 1.050 5 K CA 3.107 59.370 56.287 -0.039 0.000 0.934 5 K CB -0.184 31.745 32.500 -0.952 0.000 0.718 5 K HN -0.064 8.088 8.250 -0.132 0.019 0.443 6 Q N -2.242 117.519 119.800 -0.066 0.000 2.077 6 Q HA -0.333 nan 4.340 nan 0.000 0.206 6 Q C 2.492 178.509 176.000 0.027 0.000 0.989 6 Q CA 2.878 58.654 55.803 -0.046 0.000 0.853 6 Q CB -0.030 28.636 28.738 -0.120 0.000 0.907 6 Q HN -0.578 7.590 8.270 -0.171 0.000 0.418 7 A N -3.648 119.205 122.820 0.055 0.000 2.248 7 A HA -0.158 nan 4.320 nan 0.000 0.210 7 A C 0.790 178.472 177.584 0.163 0.000 1.174 7 A CA 1.609 53.708 52.037 0.102 0.000 0.750 7 A CB -0.682 18.371 19.000 0.088 0.000 0.780 7 A HN -0.058 8.050 8.150 0.028 0.059 0.478 8 R N -3.383 117.243 120.500 0.211 0.000 2.121 8 R HA 0.081 nan 4.340 nan 0.000 0.206 8 R C 1.896 178.351 176.300 0.259 0.000 1.094 8 R CA 2.090 58.333 56.100 0.237 0.000 1.055 8 R CB 0.654 31.117 30.300 0.271 0.000 0.964 8 R HN -0.599 7.650 8.270 0.229 0.158 0.473 9 L N 0.257 121.649 121.223 0.283 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.318 179.408 176.870 0.368 0.000 1.071 9 L CA 3.797 58.829 54.840 0.319 0.000 0.746 9 L CB -0.088 42.118 42.059 0.245 0.000 0.890 9 L HN -0.622 7.783 8.230 0.292 0.000 0.432 10 M N -2.726 116.981 119.600 0.179 0.000 2.117 10 M HA -0.284 nan 4.480 nan 0.000 0.262 10 M C -1.108 175.537 176.300 0.575 0.000 1.065 10 M CA 5.607 61.035 55.300 0.212 0.000 1.114 10 M CB -2.423 29.984 32.600 -0.321 0.000 1.361 10 M HN -0.559 7.791 8.290 0.100 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.320 177.786 177.300 0.278 0.000 1.151 11 P CA 2.925 66.243 63.100 0.363 0.000 0.849 11 P CB -0.589 31.269 31.700 0.263 0.000 0.787 12 L N -5.524 115.880 121.223 0.301 0.000 2.093 12 L HA -0.221 nan 4.340 nan 0.000 0.208 12 L C 1.512 178.484 176.870 0.170 0.000 1.085 12 L CA 1.914 56.878 54.840 0.208 0.000 0.755 12 L CB -0.015 42.162 42.059 0.198 0.000 0.904 12 L HN -0.749 7.598 8.230 0.339 0.087 0.435 13 F N -4.347 115.693 119.950 0.151 0.000 2.802 13 F HA -0.143 nan 4.527 nan 0.000 0.300 13 F C 0.483 176.328 175.800 0.074 0.000 1.168 13 F CA 1.197 59.273 58.000 0.127 0.000 1.433 13 F CB -0.262 38.840 39.000 0.171 0.000 1.115 13 F HN -0.578 8.116 8.300 0.784 0.076 0.582 14 K N 0.568 121.073 120.400 0.176 0.000 2.110 14 K HA -0.139 nan 4.320 nan 0.000 0.260 14 K C -1.322 175.058 176.600 -0.366 0.000 1.126 14 K CA 0.626 56.774 56.287 -0.232 0.000 1.005 14 K CB -1.287 31.026 32.500 -0.312 0.000 1.336 14 K HN -0.347 7.910 8.250 0.288 0.166 0.369 15 H N -1.826 117.223 119.070 -0.034 0.000 3.138 15 H HA -0.359 nan 4.556 nan 0.000 0.337 15 H C -0.635 174.634 175.328 -0.098 0.000 1.347 15 H CA -0.119 55.876 56.048 -0.088 0.000 1.254 15 H CB -3.365 26.317 29.762 -0.133 0.000 1.456 15 H HN 0.243 8.314 8.280 -0.308 0.024 0.453 16 L N -0.361 120.811 121.223 -0.085 0.000 1.933 16 L HA -0.333 nan 4.340 nan 0.000 0.220 16 L C 1.156 177.957 176.870 -0.115 0.000 1.078 16 L CA 3.072 57.808 54.840 -0.173 0.000 0.773 16 L CB -0.310 41.561 42.059 -0.314 0.000 0.890 16 L HN -0.135 8.032 8.230 -0.106 0.000 0.434 17 T N 0.564 115.078 114.554 -0.065 0.000 2.668 17 T HA -0.535 nan 4.350 nan 0.000 0.265 17 T C 2.020 176.711 174.700 -0.014 0.000 1.041 17 T CA 4.346 66.458 62.100 0.021 0.000 1.160 17 T CB -1.055 67.868 68.868 0.093 0.000 0.857 17 T HN 0.303 8.478 8.240 -0.108 0.000 0.455 18 A N 0.858 123.662 122.820 -0.027 0.000 2.186 18 A HA -0.183 nan 4.320 nan 0.000 0.219 18 A C 2.340 179.889 177.584 -0.059 0.000 1.159 18 A CA 2.318 54.332 52.037 -0.039 0.000 0.680 18 A CB -1.151 17.824 19.000 -0.042 0.000 0.787 18 A HN 0.069 8.190 8.150 -0.022 0.017 0.467 19 L N -2.405 118.772 121.223 -0.077 0.000 2.191 19 L HA -0.363 nan 4.340 nan 0.000 0.212 19 L C 1.762 178.556 176.870 -0.127 0.000 1.103 19 L CA 2.339 57.117 54.840 -0.104 0.000 0.769 19 L CB -0.445 41.533 42.059 -0.135 0.000 0.908 19 L HN 0.135 8.269 8.230 -0.076 0.050 0.438 20 T N -1.731 112.755 114.554 -0.113 0.000 2.737 20 T HA -0.267 nan 4.350 nan 0.000 0.269 20 T C -0.184 174.451 174.700 -0.109 0.000 1.040 20 T CA 2.747 64.775 62.100 -0.119 0.000 1.142 20 T CB -0.022 68.804 68.868 -0.070 0.000 0.861 20 T HN 0.012 8.037 8.240 -0.086 0.164 0.456 21 R N 0.075 120.525 120.500 -0.083 0.000 2.265 21 R HA 0.251 nan 4.340 nan 0.000 0.328 21 R C -0.943 175.313 176.300 -0.074 0.000 0.969 21 R CA -0.141 55.915 56.100 -0.074 0.000 0.832 21 R CB 1.122 31.389 30.300 -0.054 0.000 1.139 21 R HN -0.810 7.397 8.270 -0.074 0.019 0.457 22 E N 3.721 123.874 120.200 -0.078 0.000 2.435 22 E HA 0.251 nan 4.350 nan 0.000 0.272 22 E C -1.811 174.752 176.600 -0.061 0.000 1.031 22 E CA -1.966 54.392 56.400 -0.070 0.000 0.872 22 E CB 4.601 34.253 29.700 -0.080 0.000 1.588 22 E HN 0.151 8.460 8.360 -0.086 0.000 0.460 23 K N 0.468 120.837 120.400 -0.051 0.000 2.276 23 K HA 0.064 nan 4.320 nan 0.000 0.283 23 K C -0.988 175.587 176.600 -0.043 0.000 1.044 23 K CA 0.543 56.806 56.287 -0.041 0.000 0.944 23 K CB 0.470 32.951 32.500 -0.031 0.000 1.012 23 K HN 0.344 8.565 8.250 -0.049 0.000 0.472 24 L N 5.276 126.475 121.223 -0.039 0.000 2.722 24 L HA 0.245 nan 4.340 nan 0.000 0.244 24 L C -2.127 174.725 176.870 -0.031 0.000 1.023 24 L CA -0.698 54.120 54.840 -0.037 0.000 0.988 24 L CB 0.344 42.372 42.059 -0.052 0.000 1.245 24 L HN -0.064 8.144 8.230 -0.037 0.000 0.508 25 P HA 0.014 nan 4.420 nan 0.000 0.216 25 P C -1.197 176.091 177.300 -0.019 0.000 1.150 25 P CA 1.305 64.393 63.100 -0.020 0.000 0.837 25 P CB 0.366 32.056 31.700 -0.016 0.000 0.786 26 L N -0.708 120.505 121.223 -0.017 0.000 2.476 26 L HA 0.255 nan 4.340 nan 0.000 0.269 26 L C 0.396 177.256 176.870 -0.017 0.000 0.965 26 L CA -0.918 53.913 54.840 -0.015 0.000 0.845 26 L CB 2.421 44.474 42.059 -0.011 0.000 1.259 26 L HN -0.708 7.487 8.230 -0.017 0.025 0.403 27 D N 4.046 124.434 120.400 -0.019 0.000 2.203 27 D HA -0.440 nan 4.640 nan 0.000 0.199 27 D C 0.793 177.085 176.300 -0.014 0.000 0.997 27 D CA 3.003 56.990 54.000 -0.021 0.000 0.863 27 D CB -0.220 40.568 40.800 -0.019 0.000 0.928 27 D HN 0.626 8.985 8.370 -0.018 0.000 0.458 28 Q N -0.664 119.130 119.800 -0.009 0.000 2.242 28 Q HA -0.357 nan 4.340 nan 0.000 0.211 28 Q C 2.277 178.276 176.000 -0.002 0.000 0.992 28 Q CA 2.479 58.279 55.803 -0.005 0.000 0.889 28 Q CB -1.158 27.578 28.738 -0.003 0.000 0.913 28 Q HN 0.257 8.487 8.270 -0.010 0.034 0.422 29 R N -0.940 119.559 120.500 -0.002 0.000 2.159 29 R HA -0.350 nan 4.340 nan 0.000 0.252 29 R C 1.487 177.790 176.300 0.005 0.000 1.144 29 R CA 1.998 58.100 56.100 0.004 0.000 0.961 29 R CB -0.300 30.003 30.300 0.005 0.000 0.877 29 R HN -0.590 7.653 8.270 -0.005 0.024 0.444 30 D N -1.733 118.665 120.400 -0.003 0.000 2.590 30 D HA 0.324 nan 4.640 nan 0.000 0.280 30 D C -0.288 176.011 176.300 -0.002 0.000 1.197 30 D CA -0.591 53.407 54.000 -0.004 0.000 0.967 30 D CB -0.207 40.584 40.800 -0.017 0.000 0.987 30 D HN -0.185 8.162 8.370 -0.008 0.019 0.508 31 E N 1.847 122.048 120.200 0.003 0.000 2.197 31 E HA -0.545 nan 4.350 nan 0.000 0.205 31 E C 1.837 178.441 176.600 0.006 0.000 1.029 31 E CA 3.503 59.906 56.400 0.005 0.000 0.828 31 E CB -0.512 29.193 29.700 0.007 0.000 0.737 31 E HN -0.305 7.987 8.360 0.004 0.070 0.464 32 R N -1.681 118.824 120.500 0.008 0.000 2.143 32 R HA -0.308 nan 4.340 nan 0.000 0.239 32 R C 1.546 177.849 176.300 0.006 0.000 1.126 32 R CA 2.261 58.367 56.100 0.010 0.000 0.927 32 R CB -0.266 30.041 30.300 0.011 0.000 0.860 32 R HN 0.096 8.383 8.270 0.009 -0.012 0.433 33 L N -3.606 117.616 121.223 -0.001 0.000 2.627 33 L HA 0.139 nan 4.340 nan 0.000 0.232 33 L C 0.207 177.073 176.870 -0.007 0.000 1.150 33 L CA -0.899 53.937 54.840 -0.006 0.000 0.917 33 L CB -0.968 41.082 42.059 -0.014 0.000 1.104 33 L HN -0.120 8.009 8.230 -0.004 0.098 0.445 34 K N 0.362 120.761 120.400 -0.003 0.000 2.163 34 K HA -0.462 nan 4.320 nan 0.000 0.222 34 K C 1.162 177.762 176.600 -0.000 0.000 0.990 34 K CA 2.842 59.129 56.287 -0.001 0.000 0.959 34 K CB -1.488 31.014 32.500 0.004 0.000 0.882 34 K HN -0.577 7.587 8.250 -0.001 0.086 0.472 35 G N -3.353 105.449 108.800 0.003 0.000 3.277 35 G HA2 0.104 nan 3.960 nan 0.000 0.243 35 G HA3 0.104 nan 3.960 nan 0.000 0.243 35 G C -1.058 173.847 174.900 0.007 0.000 1.107 35 G CA -0.805 44.300 45.100 0.008 0.000 0.771 35 G HN 0.064 8.318 8.290 0.002 0.037 0.544 36 V N -1.390 118.523 119.914 -0.002 0.000 3.234 36 V HA 0.271 nan 4.120 nan 0.000 0.317 36 V C -0.253 175.833 176.094 -0.013 0.000 1.081 36 V CA -0.791 61.505 62.300 -0.007 0.000 1.037 36 V CB 1.016 32.825 31.823 -0.024 0.000 1.148 36 V HN -0.603 7.516 8.190 -0.007 0.068 0.453 37 G N 2.098 110.886 108.800 -0.019 0.000 2.260 37 G HA2 -0.260 nan 3.960 nan 0.000 0.179 37 G HA3 -0.260 nan 3.960 nan 0.000 0.179 37 G C 0.000 174.893 174.900 -0.012 0.000 1.002 37 G CA 0.273 45.358 45.100 -0.026 0.000 0.677 37 G HN 0.518 8.795 8.290 -0.022 0.000 0.486 38 I N -3.361 117.216 120.570 0.012 0.000 3.646 38 I HA -0.040 nan 4.170 nan 0.000 0.301 38 I C -0.923 175.223 176.117 0.049 0.000 1.276 38 I CA 0.698 62.020 61.300 0.036 0.000 1.254 38 I CB 0.012 38.048 38.000 0.061 0.000 1.020 38 I HN -0.458 7.763 8.210 0.018 0.000 0.473 39 L N 2.039 123.264 121.223 0.003 0.000 2.408 39 L HA 0.481 nan 4.340 nan 0.000 0.257 39 L C -2.360 174.477 176.870 -0.056 0.000 1.053 39 L CA -3.521 51.298 54.840 -0.034 0.000 0.922 39 L CB 2.496 44.459 42.059 -0.161 0.000 1.261 39 L HN -0.541 7.603 8.230 -0.021 0.073 0.458 40 P HA 0.318 nan 4.420 nan 0.000 0.280 40 P C -0.847 176.430 177.300 -0.039 0.000 1.300 40 P CA -0.691 62.387 63.100 -0.037 0.000 0.785 40 P CB -0.119 31.567 31.700 -0.022 0.000 0.874 41 R N 5.723 126.192 120.500 -0.053 0.000 3.559 41 R HA -0.424 nan 4.340 nan 0.000 0.569 41 R C 0.096 176.377 176.300 -0.033 0.000 0.241 41 R CA 1.545 57.617 56.100 -0.047 0.000 1.762 41 R CB -2.212 28.064 30.300 -0.040 0.000 0.881 41 R HN -0.027 8.204 8.270 -0.065 0.000 0.615 42 G N 0.574 109.363 108.800 -0.017 0.000 3.263 42 G HA2 -0.022 nan 3.960 nan 0.000 0.246 42 G HA3 -0.022 nan 3.960 nan 0.000 0.246 42 G C -0.934 173.965 174.900 -0.002 0.000 0.982 42 G CA -0.516 44.580 45.100 -0.007 0.000 1.897 42 G HN 0.357 8.637 8.290 -0.016 0.000 0.624 43 T N -0.630 113.924 114.554 -0.000 0.000 2.794 43 T HA 0.183 nan 4.350 nan 0.000 0.304 43 T C 1.216 175.938 174.700 0.036 0.000 0.973 43 T CA -1.607 60.504 62.100 0.019 0.000 0.972 43 T CB 0.481 69.360 68.868 0.019 0.000 0.952 43 T HN -0.522 7.620 8.240 -0.012 0.090 0.509 44 L N 6.239 127.490 121.223 0.047 0.000 2.949 44 L HA -0.104 nan 4.340 nan 0.000 0.263 44 L C -0.253 176.668 176.870 0.086 0.000 1.190 44 L CA -0.143 54.720 54.840 0.038 0.000 1.022 44 L CB -1.502 40.554 42.059 -0.005 0.000 1.313 44 L HN 0.434 8.698 8.230 0.055 0.000 0.413 45 F N -1.450 118.448 119.950 -0.086 0.000 2.121 45 F HA -0.407 nan 4.527 nan 0.000 0.470 45 F C -1.593 174.179 175.800 -0.047 0.000 1.232 45 F CA 0.015 57.941 58.000 -0.123 0.000 1.518 45 F CB -0.092 38.802 39.000 -0.176 0.000 2.410 45 F HN -0.657 7.736 8.300 0.154 0.000 0.729 46 S N 5.194 120.793 115.700 -0.168 0.000 2.422 46 S HA 0.219 nan 4.470 nan 0.000 0.298 46 S C 1.554 175.694 174.600 -0.767 0.000 1.118 46 S CA -1.251 56.747 58.200 -0.337 0.000 1.083 46 S CB 1.176 64.335 63.200 -0.067 0.000 0.971 46 S HN 0.287 8.708 8.310 0.184 0.000 0.478 47 C N 9.314 127.880 119.300 -1.224 0.000 2.419 47 C HA -0.178 nan 4.460 nan 0.000 0.283 47 C C 0.640 174.972 174.990 -1.096 0.000 1.373 47 C CA 2.211 60.338 59.018 -1.486 0.000 1.781 47 C CB -1.169 25.683 27.740 -1.480 0.000 1.886 47 C HN 1.056 8.702 8.230 -0.974 0.000 0.520 48 F N -5.239 114.514 119.950 -0.328 0.000 2.695 48 F HA 0.147 nan 4.527 nan 0.000 0.303 48 F C -0.535 175.072 175.800 -0.321 0.000 1.091 48 F CA -0.762 57.029 58.000 -0.349 0.000 1.300 48 F CB -0.079 38.720 39.000 -0.335 0.000 1.071 48 F HN -0.650 7.323 8.300 -0.497 0.028 0.578 49 H N 2.062 121.086 119.070 -0.075 0.000 3.026 49 H HA -0.080 nan 4.556 nan 0.000 0.289 49 H C 0.883 176.199 175.328 -0.020 0.000 1.022 49 H CA 0.349 56.399 56.048 0.004 0.000 1.477 49 H CB 1.239 30.992 29.762 -0.015 0.000 1.510 49 H HN -0.728 7.445 8.280 0.014 0.116 0.535 50 A N 8.052 130.648 122.820 -0.373 0.000 1.927 50 A HA -0.436 nan 4.320 nan 0.000 0.220 50 A C 1.669 179.240 177.584 -0.022 0.000 1.185 50 A CA 3.418 55.404 52.037 -0.085 0.000 0.639 50 A CB -0.257 18.855 19.000 0.187 0.000 0.820 50 A HN 0.546 8.579 8.150 -0.395 -0.120 0.451 51 R N -3.265 117.202 120.500 -0.054 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.210 178.568 176.300 0.096 0.000 1.123 51 R CA 2.968 59.085 56.100 0.027 0.000 0.975 51 R CB -0.840 29.480 30.300 0.032 0.000 0.866 51 R HN 0.077 8.196 8.270 -0.208 0.026 0.446 52 H N -0.398 118.799 119.070 0.212 0.000 2.470 52 H HA -0.049 nan 4.556 nan 0.000 0.289 52 H C 2.806 178.229 175.328 0.158 0.000 1.033 52 H CA 1.828 58.003 56.048 0.212 0.000 1.331 52 H CB -0.411 29.597 29.762 0.410 0.000 1.414 52 H HN 0.211 8.495 8.280 0.061 0.032 0.545 53 L N -0.624 120.742 121.223 0.238 0.000 2.072 53 L HA -0.316 nan 4.340 nan 0.000 0.205 53 L C 1.571 178.528 176.870 0.145 0.000 1.079 53 L CA 2.561 57.506 54.840 0.176 0.000 0.752 53 L CB -0.601 41.525 42.059 0.112 0.000 0.906 53 L HN -0.652 7.694 8.230 0.194 0.000 0.436 54 A N -0.718 122.173 122.820 0.119 0.000 1.865 54 A HA -0.433 nan 4.320 nan 0.000 0.217 54 A C 2.113 179.739 177.584 0.070 0.000 1.191 54 A CA 3.267 55.362 52.037 0.097 0.000 0.623 54 A CB -1.102 17.950 19.000 0.088 0.000 0.826 54 A HN -0.453 7.765 8.150 0.112 0.000 0.444 55 E N -1.666 118.582 120.200 0.080 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.476 179.046 176.600 -0.050 0.000 1.004 55 E CA 2.991 59.417 56.400 0.043 0.000 0.805 55 E CB -0.127 29.634 29.700 0.101 0.000 0.744 55 E HN 0.326 8.648 8.360 0.118 0.109 0.451 56 A N -2.050 120.713 122.820 -0.095 0.000 2.019 56 A HA -0.183 nan 4.320 nan 0.000 0.219 56 A C 2.122 179.381 177.584 -0.543 0.000 1.164 56 A CA 2.903 54.722 52.037 -0.363 0.000 0.644 56 A CB -0.699 18.090 19.000 -0.351 0.000 0.805 56 A HN -0.077 7.954 8.150 -0.000 0.119 0.449 57 T N 0.456 114.943 114.554 -0.110 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.734 176.470 174.700 0.060 0.000 1.093 57 T CA 3.672 65.848 62.100 0.127 0.000 1.129 57 T CB -0.710 68.306 68.868 0.247 0.000 0.899 57 T HN -0.079 7.995 8.240 -0.006 0.163 0.491 58 E N 2.724 122.924 120.200 -0.001 0.000 2.049 58 E HA -0.340 nan 4.350 nan 0.000 0.198 58 E C 1.616 178.201 176.600 -0.024 0.000 1.007 58 E CA 3.315 59.714 56.400 -0.002 0.000 0.809 58 E CB -0.572 29.123 29.700 -0.009 0.000 0.749 58 E HN -0.434 7.924 8.360 -0.003 0.000 0.450 59 L N -1.260 119.892 121.223 -0.119 0.000 2.093 59 L HA -0.339 nan 4.340 nan 0.000 0.208 59 L C 2.428 179.255 176.870 -0.072 0.000 1.085 59 L CA 3.794 58.552 54.840 -0.136 0.000 0.755 59 L CB -0.246 41.674 42.059 -0.231 0.000 0.904 59 L HN -0.650 7.424 8.230 -0.160 0.061 0.435 60 Y N -2.273 118.090 120.300 0.105 0.000 2.163 60 Y HA -0.385 nan 4.550 nan 0.000 0.288 60 Y C 2.353 178.394 175.900 0.235 0.000 1.136 60 Y CA 3.242 61.454 58.100 0.187 0.000 1.147 60 Y CB -1.453 37.128 38.460 0.203 0.000 0.987 60 Y HN 0.201 8.107 8.280 -0.305 0.191 0.509 61 V N -4.077 115.992 119.914 0.259 0.000 2.427 61 V HA -0.390 nan 4.120 nan 0.000 0.248 61 V C 1.738 177.919 176.094 0.144 0.000 1.051 61 V CA 2.562 64.967 62.300 0.175 0.000 1.048 61 V CB -1.368 30.509 31.823 0.089 0.000 0.666 61 V HN -0.115 8.195 8.190 0.199 0.000 0.456 62 A N 0.831 123.711 122.820 0.100 0.000 1.841 62 A HA -0.280 nan 4.320 nan 0.000 0.216 62 A C 2.171 179.800 177.584 0.074 0.000 1.199 62 A CA 2.981 55.059 52.037 0.068 0.000 0.621 62 A CB -0.606 18.414 19.000 0.034 0.000 0.835 62 A HN -0.054 8.145 8.150 0.082 0.000 0.445 63 L N -2.019 119.236 121.223 0.054 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.364 179.197 176.870 -0.061 0.000 1.092 63 L CA 2.601 57.427 54.840 -0.023 0.000 0.759 63 L CB -0.659 41.344 42.059 -0.094 0.000 0.903 63 L HN 0.058 8.215 8.230 0.067 0.113 0.435 64 Y N -3.097 117.247 120.300 0.073 0.000 2.274 64 Y HA -0.278 nan 4.550 nan 0.000 0.290 64 Y C 1.925 177.841 175.900 0.026 0.000 1.145 64 Y CA 2.338 60.459 58.100 0.035 0.000 1.203 64 Y CB -0.211 38.234 38.460 -0.026 0.000 0.984 64 Y HN -0.381 8.025 8.280 0.211 0.000 0.533 65 G N -1.449 107.451 108.800 0.167 0.000 3.102 65 G HA2 -0.068 nan 3.960 nan 0.000 0.264 65 G HA3 -0.068 nan 3.960 nan 0.000 0.264 65 G C -1.912 173.035 174.900 0.079 0.000 0.788 65 G CA -0.507 44.656 45.100 0.104 0.000 2.029 65 G HN -0.373 7.874 8.290 0.159 0.138 0.608 66 A N 2.369 125.239 122.820 0.084 0.000 2.274 66 A HA 0.381 nan 4.320 nan 0.000 0.297 66 A C -0.757 176.861 177.584 0.057 0.000 1.191 66 A CA -0.970 51.110 52.037 0.071 0.000 0.889 66 A CB 1.389 20.438 19.000 0.082 0.000 1.294 66 A HN -0.092 8.062 8.150 0.099 0.056 0.506 67 K N -1.060 119.371 120.400 0.051 0.000 2.253 67 K HA 0.074 nan 4.320 nan 0.000 0.225 67 K C -0.420 176.214 176.600 0.057 0.000 1.037 67 K CA 0.554 56.870 56.287 0.049 0.000 0.928 67 K CB 0.948 33.474 32.500 0.043 0.000 1.057 67 K HN 0.471 8.933 8.250 0.049 -0.184 0.462 68 D N -3.783 116.650 120.400 0.055 0.000 2.798 68 D HA 0.022 nan 4.640 nan 0.000 0.308 68 D C 0.018 176.350 176.300 0.053 0.000 1.187 68 D CA -1.085 52.970 54.000 0.092 0.000 1.033 68 D CB 1.044 41.914 40.800 0.116 0.000 1.445 68 D HN -0.569 7.825 8.370 0.039 0.000 0.550 69 F N -0.436 119.568 119.950 0.089 0.000 2.202 69 F HA -0.295 nan 4.527 nan 0.000 0.301 69 F C 1.076 176.998 175.800 0.203 0.000 1.082 69 F CA 3.164 61.245 58.000 0.134 0.000 1.313 69 F CB 0.457 39.504 39.000 0.078 0.000 1.024 69 F HN 0.233 8.753 8.300 0.367 0.000 0.495 70 N N -1.055 117.590 118.700 -0.092 0.000 2.132 70 N HA -0.252 nan 4.740 nan 0.000 0.187 70 N C 1.566 176.990 175.510 -0.142 0.000 1.038 70 N CA 2.986 55.974 53.050 -0.103 0.000 0.846 70 N CB -0.322 38.191 38.487 0.043 0.000 1.012 70 N HN -0.565 8.235 8.380 0.086 -0.369 0.429 71 D N 0.838 121.204 120.400 -0.057 0.000 2.182 71 D HA -0.285 nan 4.640 nan 0.000 0.201 71 D C 1.924 178.179 176.300 -0.075 0.000 0.986 71 D CA 3.099 57.086 54.000 -0.020 0.000 0.847 71 D CB 0.086 40.898 40.800 0.020 0.000 0.942 71 D HN -0.413 8.276 8.370 -0.018 -0.330 0.467 72 F N 0.658 120.417 119.950 -0.318 0.000 2.091 72 F HA -0.385 nan 4.527 nan 0.000 0.299 72 F C 1.320 176.868 175.800 -0.421 0.000 1.103 72 F CA 3.405 61.157 58.000 -0.412 0.000 1.228 72 F CB 0.089 38.703 39.000 -0.644 0.000 0.984 72 F HN -0.083 8.185 8.300 -0.053 0.000 0.477 73 I N -2.033 118.099 120.570 -0.730 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.973 177.890 176.117 -0.334 0.000 1.102 73 I CA 2.252 63.172 61.300 -0.633 0.000 1.385 73 I CB -1.567 36.151 38.000 -0.471 0.000 1.064 73 I HN -0.461 7.283 8.210 -0.612 0.099 0.414 74 H N 1.303 120.222 119.070 -0.252 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.312 177.560 175.328 -0.134 0.000 1.087 74 H CA 3.524 59.482 56.048 -0.149 0.000 1.319 74 H CB 0.050 29.754 29.762 -0.097 0.000 1.379 74 H HN -0.441 7.689 8.280 -0.126 0.074 0.501 75 L N -1.139 119.840 121.223 -0.407 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.570 178.301 176.870 -0.232 0.000 1.075 75 L CA 3.633 58.276 54.840 -0.329 0.000 0.752 75 L CB -0.519 41.430 42.059 -0.182 0.000 0.891 75 L HN -0.119 7.959 8.230 -0.252 0.000 0.432 76 C N -1.767 117.385 119.300 -0.247 0.000 2.432 76 C HA -0.374 nan 4.460 nan 0.000 0.280 76 C C 2.265 177.248 174.990 -0.013 0.000 1.353 76 C CA 3.103 62.133 59.018 0.020 0.000 1.766 76 C CB -2.216 25.352 27.740 -0.286 0.000 1.924 76 C HN -0.242 7.666 8.230 -0.415 0.073 0.509 77 E N 0.557 120.661 120.200 -0.161 0.000 2.031 77 E HA -0.446 nan 4.350 nan 0.000 0.193 77 E C 1.658 178.128 176.600 -0.217 0.000 0.994 77 E CA 3.264 59.581 56.400 -0.138 0.000 0.800 77 E CB -0.311 29.355 29.700 -0.055 0.000 0.752 77 E HN 0.129 8.257 8.360 -0.226 0.096 0.447 78 Q N -1.094 118.522 119.800 -0.306 0.000 1.969 78 Q HA -0.208 nan 4.340 nan 0.000 0.198 78 Q C 2.569 178.410 176.000 -0.265 0.000 0.978 78 Q CA 2.704 58.345 55.803 -0.270 0.000 0.830 78 Q CB 0.327 28.859 28.738 -0.343 0.000 0.896 78 Q HN -0.307 7.708 8.270 -0.425 0.000 0.431 79 A N -0.981 121.690 122.820 -0.249 0.000 1.978 79 A HA -0.303 nan 4.320 nan 0.000 0.220 79 A C 1.927 179.205 177.584 -0.510 0.000 1.170 79 A CA 3.150 55.043 52.037 -0.240 0.000 0.636 79 A CB -0.983 18.003 19.000 -0.024 0.000 0.810 79 A HN 0.134 8.159 8.150 -0.208 0.000 0.448 80 R N -2.078 117.854 120.500 -0.946 0.000 2.127 80 R HA -0.328 nan 4.340 nan 0.000 0.238 80 R C 2.544 178.524 176.300 -0.534 0.000 1.134 80 R CA 2.763 58.170 56.100 -1.153 0.000 0.975 80 R CB -0.352 29.308 30.300 -1.067 0.000 0.865 80 R HN 0.102 7.862 8.270 -0.789 0.036 0.447 81 Q N -2.195 117.393 119.800 -0.352 0.000 2.368 81 Q HA -0.269 nan 4.340 nan 0.000 0.210 81 Q C 1.187 177.080 176.000 -0.179 0.000 0.982 81 Q CA 2.731 58.403 55.803 -0.219 0.000 0.884 81 Q CB 0.056 28.699 28.738 -0.158 0.000 0.933 81 Q HN 0.039 7.959 8.270 -0.347 0.142 0.460 82 I N -5.564 114.889 120.570 -0.195 0.000 4.433 82 I HA 0.075 nan 4.170 nan 0.000 0.322 82 I C -2.066 173.963 176.117 -0.145 0.000 1.284 82 I CA -0.283 60.932 61.300 -0.143 0.000 1.269 82 I CB 2.259 40.192 38.000 -0.112 0.000 1.219 82 I HN -0.684 7.322 8.210 -0.248 0.055 0.436 83 V N -5.344 114.456 119.914 -0.190 0.000 3.083 83 V HA 0.098 nan 4.120 nan 0.000 0.306 83 V C -0.977 175.043 176.094 -0.122 0.000 1.077 83 V CA -2.595 59.617 62.300 -0.148 0.000 1.073 83 V CB 0.625 32.377 31.823 -0.118 0.000 1.081 83 V HN -0.953 7.074 8.190 -0.270 0.000 0.474 84 N N -0.183 118.442 118.700 -0.126 0.000 2.399 84 N HA -0.201 nan 4.740 nan 0.000 0.284 84 N C 1.193 176.675 175.510 -0.047 0.000 1.283 84 N CA 0.407 53.385 53.050 -0.119 0.000 0.972 84 N CB -0.348 38.008 38.487 -0.218 0.000 1.328 84 N HN 0.242 8.531 8.380 -0.153 0.000 0.486 85 E N 6.178 126.389 120.200 0.019 0.000 2.169 85 E HA -0.406 nan 4.350 nan 0.000 0.202 85 E C 1.760 178.493 176.600 0.222 0.000 1.016 85 E CA 2.955 59.434 56.400 0.132 0.000 0.817 85 E CB -1.426 28.349 29.700 0.125 0.000 0.736 85 E HN 0.221 8.575 8.360 -0.009 0.000 0.462 86 G N -0.899 107.982 108.800 0.134 0.000 2.469 86 G HA2 -0.282 nan 3.960 nan 0.000 0.219 86 G HA3 -0.282 nan 3.960 nan 0.000 0.219 86 G C 1.523 176.571 174.900 0.247 0.000 1.150 86 G CA 1.757 46.958 45.100 0.168 0.000 0.763 86 G HN 0.333 8.648 8.290 0.071 0.017 0.561 87 M N 1.939 121.553 119.600 0.024 0.000 2.156 87 M HA -0.288 nan 4.480 nan 0.000 0.264 87 M C 0.981 177.384 176.300 0.173 0.000 1.067 87 M CA 3.247 58.521 55.300 -0.043 0.000 1.131 87 M CB 0.119 32.488 32.600 -0.385 0.000 1.368 87 M HN -0.092 8.033 8.290 -0.079 0.118 0.416 88 F N -0.091 119.883 119.950 0.041 0.000 2.069 88 F HA -0.428 nan 4.527 nan 0.000 0.298 88 F C 1.450 177.377 175.800 0.211 0.000 1.113 88 F CA 4.372 62.418 58.000 0.076 0.000 1.214 88 F CB -0.098 38.908 39.000 0.010 0.000 0.978 88 F HN -0.527 7.864 8.300 0.252 0.061 0.474 89 V N -0.509 119.629 119.914 0.373 0.000 2.392 89 V HA -0.484 nan 4.120 nan 0.000 0.249 89 V C 1.031 177.408 176.094 0.472 0.000 1.059 89 V CA 4.171 66.749 62.300 0.464 0.000 1.051 89 V CB -0.908 31.308 31.823 0.657 0.000 0.658 89 V HN 0.458 8.921 8.190 0.456 0.000 0.455 90 Y N 0.580 121.104 120.300 0.373 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.258 177.283 175.900 0.207 0.000 1.146 90 Y CA 4.074 62.360 58.100 0.311 0.000 1.182 90 Y CB -0.356 38.241 38.460 0.229 0.000 0.983 90 Y HN -0.500 8.060 8.280 0.596 0.078 0.524 91 A N -1.193 121.772 122.820 0.241 0.000 1.874 91 A HA -0.288 nan 4.320 nan 0.000 0.214 91 A C 1.801 179.367 177.584 -0.029 0.000 1.189 91 A CA 3.065 55.173 52.037 0.118 0.000 0.615 91 A CB -0.490 18.488 19.000 -0.036 0.000 0.830 91 A HN 0.183 8.382 8.150 0.242 0.096 0.443 92 V N -4.262 115.567 119.914 -0.141 0.000 2.515 92 V HA -0.346 nan 4.120 nan 0.000 0.250 92 V C 1.929 178.081 176.094 0.097 0.000 1.058 92 V CA 3.815 66.084 62.300 -0.051 0.000 1.064 92 V CB -1.259 30.494 31.823 -0.116 0.000 0.675 92 V HN 0.428 8.474 8.190 -0.240 0.000 0.461 93 S N 0.055 115.823 115.700 0.112 0.000 2.414 93 S HA -0.148 nan 4.470 nan 0.000 0.227 93 S C 2.082 176.680 174.600 -0.002 0.000 1.022 93 S CA 3.096 61.346 58.200 0.083 0.000 0.958 93 S CB -0.180 63.133 63.200 0.188 0.000 0.797 93 S HN 0.059 8.352 8.310 0.149 0.107 0.493 94 V N 2.069 121.978 119.914 -0.009 0.000 2.515 94 V HA -0.362 nan 4.120 nan 0.000 0.250 94 V C 1.519 177.746 176.094 0.221 0.000 1.058 94 V CA 3.585 65.945 62.300 0.101 0.000 1.064 94 V CB -1.029 30.860 31.823 0.109 0.000 0.675 94 V HN -0.271 7.903 8.190 -0.026 0.000 0.461 95 A N 0.056 122.914 122.820 0.063 0.000 1.855 95 A HA -0.196 nan 4.320 nan 0.000 0.215 95 A C 1.281 178.867 177.584 0.003 0.000 1.191 95 A CA 3.830 55.863 52.037 -0.006 0.000 0.613 95 A CB -0.208 18.791 19.000 -0.003 0.000 0.829 95 A HN 0.196 8.363 8.150 0.028 0.000 0.442 96 V N -2.566 117.382 119.914 0.058 0.000 3.620 96 V HA -0.101 nan 4.120 nan 0.000 0.286 96 V C 0.813 176.869 176.094 -0.062 0.000 1.288 96 V CA 1.556 63.900 62.300 0.073 0.000 1.178 96 V CB -1.144 30.857 31.823 0.296 0.000 0.986 96 V HN -0.067 8.072 8.190 0.097 0.108 0.431 97 L N -1.136 119.968 121.223 -0.198 0.000 2.253 97 L HA -0.038 nan 4.340 nan 0.000 0.205 97 L C 0.384 176.997 176.870 -0.429 0.000 1.078 97 L CA 2.476 57.043 54.840 -0.455 0.000 0.805 97 L CB 1.255 42.795 42.059 -0.865 0.000 0.963 97 L HN -0.590 7.509 8.230 -0.158 0.036 0.459 98 H N -7.420 111.665 119.070 0.024 0.000 3.233 98 H HA 0.217 nan 4.556 nan 0.000 0.263 98 H C -0.669 174.755 175.328 0.160 0.000 1.168 98 H CA -0.677 55.422 56.048 0.084 0.000 1.159 98 H CB 1.523 31.390 29.762 0.175 0.000 1.593 98 H HN -0.173 7.965 8.280 -0.013 0.133 0.580 99 R N 0.530 121.137 120.500 0.179 0.000 2.295 99 R HA 0.304 nan 4.340 nan 0.000 0.324 99 R C 0.569 176.906 176.300 0.062 0.000 0.968 99 R CA -1.796 54.384 56.100 0.132 0.000 0.837 99 R CB 0.109 30.464 30.300 0.092 0.000 1.133 99 R HN -0.586 7.730 8.270 0.077 0.000 0.450 100 E N 3.317 123.568 120.200 0.084 0.000 2.533 100 E HA -0.215 nan 4.350 nan 0.000 0.201 100 E C -0.048 176.585 176.600 0.055 0.000 1.097 100 E CA 1.206 57.644 56.400 0.063 0.000 0.887 100 E CB -0.708 29.029 29.700 0.061 0.000 0.855 100 E HN 0.579 8.997 8.360 0.096 0.000 0.540 101 D N -2.889 117.574 120.400 0.106 0.000 2.336 101 D HA 0.028 nan 4.640 nan 0.000 0.228 101 D C 0.125 176.466 176.300 0.069 0.000 1.120 101 D CA 0.227 54.320 54.000 0.154 0.000 0.839 101 D CB -0.458 40.522 40.800 0.299 0.000 0.932 101 D HN -0.296 8.060 8.370 0.117 0.085 0.509 102 C N -2.768 116.500 119.300 -0.053 0.000 3.657 102 C HA 0.095 nan 4.460 nan 0.000 0.291 102 C C -0.742 174.057 174.990 -0.319 0.000 1.572 102 C CA -1.258 57.595 59.018 -0.276 0.000 1.818 102 C CB 1.050 28.817 27.740 0.044 0.000 2.903 102 C HN -0.240 7.907 8.230 -0.025 0.068 0.632 103 K N 1.396 121.656 120.400 -0.233 0.000 2.319 103 K HA -0.158 nan 4.320 nan 0.000 0.265 103 K C 1.038 177.493 176.600 -0.242 0.000 1.000 103 K CA 1.908 58.072 56.287 -0.205 0.000 0.943 103 K CB 0.272 32.684 32.500 -0.148 0.000 0.950 103 K HN -0.334 7.798 8.250 -0.196 0.000 0.485 104 G N 1.144 109.808 108.800 -0.227 0.000 2.155 104 G HA2 -0.380 nan 3.960 nan 0.000 0.257 104 G HA3 -0.380 nan 3.960 nan 0.000 0.257 104 G C -0.770 173.966 174.900 -0.272 0.000 0.983 104 G CA 0.084 45.037 45.100 -0.245 0.000 0.676 104 G HN 0.386 8.550 8.290 -0.211 0.000 0.528 105 I N 0.559 120.963 120.570 -0.276 0.000 2.532 105 I HA 0.016 nan 4.170 nan 0.000 0.292 105 I C -0.872 175.113 176.117 -0.219 0.000 1.014 105 I CA -0.683 60.471 61.300 -0.244 0.000 1.340 105 I CB 0.879 38.758 38.000 -0.202 0.000 1.422 105 I HN -0.654 7.332 8.210 -0.266 0.065 0.528 106 T N 7.932 122.359 114.554 -0.211 0.000 2.856 106 T HA 0.154 nan 4.350 nan 0.000 0.283 106 T C -0.843 173.733 174.700 -0.206 0.000 1.008 106 T CA -1.222 60.740 62.100 -0.230 0.000 0.997 106 T CB 1.932 70.648 68.868 -0.252 0.000 0.992 106 T HN -0.314 8.037 8.240 -0.196 -0.228 0.454 107 V N 4.530 124.324 119.914 -0.199 0.000 2.508 107 V HA 0.098 nan 4.120 nan 0.000 0.281 107 V C -1.224 174.739 176.094 -0.219 0.000 1.041 107 V CA -2.719 59.468 62.300 -0.188 0.000 1.016 107 V CB -0.436 31.312 31.823 -0.126 0.000 0.984 107 V HN 0.355 8.419 8.190 -0.210 0.000 0.478 108 P HA 0.093 nan 4.420 nan 0.000 0.260 108 P C -2.629 174.621 177.300 -0.083 0.000 1.185 108 P CA -0.927 62.004 63.100 -0.280 0.000 0.763 108 P CB 0.134 31.486 31.700 -0.581 0.000 0.776 109 P HA -0.005 nan 4.420 nan 0.000 0.261 109 P C 0.912 178.231 177.300 0.032 0.000 1.203 109 P CA -0.124 62.986 63.100 0.015 0.000 0.767 109 P CB 0.370 32.052 31.700 -0.030 0.000 0.785 110 I N -0.068 120.546 120.570 0.073 0.000 2.423 110 I HA -0.524 nan 4.170 nan 0.000 0.254 110 I C 0.954 177.063 176.117 -0.013 0.000 1.151 110 I CA 3.449 64.779 61.300 0.050 0.000 1.421 110 I CB -0.230 37.698 38.000 -0.119 0.000 1.079 110 I HN 0.232 8.541 8.210 0.166 0.000 0.431 111 Q N -1.167 118.452 119.800 -0.302 0.000 2.172 111 Q HA -0.268 nan 4.340 nan 0.000 0.200 111 Q C 1.203 177.010 176.000 -0.321 0.000 0.964 111 Q CA 3.041 58.359 55.803 -0.808 0.000 0.855 111 Q CB -0.624 27.551 28.738 -0.938 0.000 0.918 111 Q HN 0.196 8.282 8.270 -0.205 0.061 0.444 112 E N -2.653 117.456 120.200 -0.151 0.000 2.216 112 E HA -0.039 nan 4.350 nan 0.000 0.192 112 E C 1.407 178.023 176.600 0.027 0.000 0.973 112 E CA 1.515 57.887 56.400 -0.045 0.000 0.851 112 E CB 1.348 31.000 29.700 -0.080 0.000 0.804 112 E HN -0.420 7.721 8.360 -0.139 0.137 0.477 113 V N -5.874 114.049 119.914 0.015 0.000 2.788 113 V HA -0.092 nan 4.120 nan 0.000 0.251 113 V C -0.105 175.776 176.094 -0.354 0.000 1.068 113 V CA 1.909 64.149 62.300 -0.099 0.000 1.090 113 V CB 0.279 32.093 31.823 -0.015 0.000 0.710 113 V HN -0.120 7.979 8.190 0.026 0.107 0.467 114 F N -1.563 118.455 119.950 0.113 0.000 2.660 114 F HA 0.587 nan 4.527 nan 0.000 0.352 114 F C -1.490 174.432 175.800 0.203 0.000 1.257 114 F CA -3.615 54.472 58.000 0.144 0.000 1.200 114 F CB 1.214 40.292 39.000 0.129 0.000 1.473 114 F HN -0.414 7.873 8.300 0.169 0.114 0.561 115 P HA -0.141 nan 4.420 nan 0.000 0.226 115 P C 0.629 178.135 177.300 0.345 0.000 1.153 115 P CA 1.962 65.216 63.100 0.257 0.000 0.777 115 P CB 0.034 31.822 31.700 0.147 0.000 0.794 116 D N -1.495 119.099 120.400 0.323 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.321 176.757 176.300 0.226 0.000 0.992 116 D CA 2.674 56.833 54.000 0.266 0.000 0.833 116 D CB -1.802 39.165 40.800 0.278 0.000 0.954 116 D HN 0.431 8.952 8.370 0.359 0.065 0.455 117 R N -3.420 117.209 120.500 0.215 0.000 2.339 117 R HA -0.140 nan 4.340 nan 0.000 0.199 117 R C 0.602 176.728 176.300 -0.289 0.000 1.018 117 R CA 1.251 57.313 56.100 -0.064 0.000 1.036 117 R CB -0.550 29.659 30.300 -0.152 0.000 0.899 117 R HN -0.314 8.143 8.270 0.312 0.000 0.473 118 F N -2.793 117.154 119.950 -0.004 0.000 2.592 118 F HA 0.090 nan 4.527 nan 0.000 0.280 118 F C -0.526 175.260 175.800 -0.023 0.000 1.083 118 F CA 2.452 60.428 58.000 -0.040 0.000 1.365 118 F CB 2.263 41.229 39.000 -0.056 0.000 1.100 118 F HN -0.357 7.949 8.300 0.340 0.198 0.633 119 V N -6.161 113.873 119.914 0.199 0.000 3.096 119 V HA 0.529 nan 4.120 nan 0.000 0.319 119 V C -2.518 173.652 176.094 0.127 0.000 1.103 119 V CA -4.046 58.341 62.300 0.145 0.000 1.016 119 V CB -0.196 31.715 31.823 0.147 0.000 1.090 119 V HN -0.561 7.767 8.190 0.230 0.000 0.449 120 P HA -0.033 nan 4.420 nan 0.000 0.267 120 P C -0.518 176.851 177.300 0.114 0.000 1.209 120 P CA 0.005 63.172 63.100 0.112 0.000 0.763 120 P CB -0.106 31.641 31.700 0.078 0.000 0.816 121 A N 6.888 129.781 122.820 0.122 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.845 179.485 177.584 0.092 0.000 1.199 121 A CA 3.574 55.678 52.037 0.111 0.000 0.657 121 A CB -0.542 18.523 19.000 0.108 0.000 0.823 121 A HN 0.872 8.996 8.150 0.137 0.107 0.463 122 E N -3.137 117.114 120.200 0.085 0.000 2.038 122 E HA -0.364 nan 4.350 nan 0.000 0.195 122 E C 2.129 178.772 176.600 0.072 0.000 1.000 122 E CA 3.325 59.767 56.400 0.069 0.000 0.803 122 E CB -0.324 29.409 29.700 0.055 0.000 0.750 122 E HN 0.245 8.648 8.360 0.092 0.012 0.448 123 T N 0.778 115.381 114.554 0.081 0.000 3.085 123 T HA -0.050 nan 4.350 nan 0.000 0.263 123 T C 2.457 177.212 174.700 0.092 0.000 1.127 123 T CA 2.601 64.753 62.100 0.086 0.000 1.103 123 T CB -0.764 68.162 68.868 0.097 0.000 0.921 123 T HN -0.412 7.786 8.240 0.085 0.093 0.510 124 I N 2.751 123.379 120.570 0.097 0.000 2.193 124 I HA -0.505 nan 4.170 nan 0.000 0.240 124 I C 0.928 177.096 176.117 0.084 0.000 1.084 124 I CA 4.071 65.430 61.300 0.099 0.000 1.365 124 I CB -0.273 37.793 38.000 0.110 0.000 1.064 124 I HN -0.294 7.949 8.210 0.099 0.026 0.410 125 N N -0.363 118.383 118.700 0.076 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.551 178.096 175.510 0.060 0.000 1.019 125 N CA 3.841 56.929 53.050 0.063 0.000 0.857 125 N CB 0.156 38.677 38.487 0.058 0.000 0.997 125 N HN -0.120 8.309 8.380 0.080 0.000 0.426 126 R N -1.329 119.209 120.500 0.064 0.000 2.057 126 R HA -0.244 nan 4.340 nan 0.000 0.229 126 R C 1.749 178.090 176.300 0.068 0.000 1.136 126 R CA 3.242 59.380 56.100 0.062 0.000 0.952 126 R CB -0.154 30.183 30.300 0.061 0.000 0.848 126 R HN 0.368 8.561 8.270 0.068 0.118 0.430 127 A N -0.940 121.924 122.820 0.074 0.000 1.883 127 A HA -0.329 nan 4.320 nan 0.000 0.217 127 A C 2.227 179.859 177.584 0.081 0.000 1.186 127 A CA 3.096 55.180 52.037 0.078 0.000 0.624 127 A CB -0.932 18.118 19.000 0.084 0.000 0.822 127 A HN -0.569 7.627 8.150 0.076 0.000 0.444 128 N N -1.786 116.961 118.700 0.077 0.000 2.021 128 N HA -0.395 nan 4.740 nan 0.000 0.198 128 N C 2.208 177.753 175.510 0.059 0.000 1.041 128 N CA 3.078 56.169 53.050 0.068 0.000 0.862 128 N CB -0.583 37.939 38.487 0.059 0.000 1.048 128 N HN -0.213 8.215 8.380 0.079 0.000 0.427 129 K N 0.138 120.570 120.400 0.054 0.000 2.209 129 K HA -0.309 nan 4.320 nan 0.000 0.204 129 K C 2.508 179.141 176.600 0.056 0.000 1.048 129 K CA 2.983 59.297 56.287 0.045 0.000 0.940 129 K CB 0.006 32.530 32.500 0.039 0.000 0.729 129 K HN 0.041 8.145 8.250 0.057 0.180 0.451 130 E N -0.797 119.452 120.200 0.082 0.000 2.152 130 E HA -0.287 nan 4.350 nan 0.000 0.192 130 E C 2.065 178.749 176.600 0.140 0.000 0.983 130 E CA 2.739 59.216 56.400 0.129 0.000 0.818 130 E CB -0.157 29.622 29.700 0.132 0.000 0.758 130 E HN 0.067 8.343 8.360 0.079 0.131 0.467 131 A N -0.681 122.200 122.820 0.103 0.000 1.933 131 A HA -0.184 nan 4.320 nan 0.000 0.218 131 A C 1.931 179.556 177.584 0.068 0.000 1.175 131 A CA 3.121 55.216 52.037 0.095 0.000 0.628 131 A CB -0.652 18.405 19.000 0.094 0.000 0.814 131 A HN -0.240 7.965 8.150 0.093 0.000 0.444 132 S N -2.208 113.519 115.700 0.044 0.000 2.453 132 S HA -0.165 nan 4.470 nan 0.000 0.231 132 S C 1.306 175.897 174.600 -0.014 0.000 1.005 132 S CA 2.273 60.482 58.200 0.015 0.000 0.949 132 S CB 0.219 63.423 63.200 0.007 0.000 0.774 132 S HN -0.295 8.044 8.310 0.048 0.000 0.510 133 N N 0.106 118.793 118.700 -0.021 0.000 2.333 133 N HA -0.098 nan 4.740 nan 0.000 0.178 133 N C -0.139 175.157 175.510 -0.357 0.000 1.018 133 N CA 1.379 54.331 53.050 -0.164 0.000 0.882 133 N CB 1.076 39.469 38.487 -0.157 0.000 0.984 133 N HN -0.326 7.833 8.380 0.032 0.240 0.434 134 H N -1.361 117.719 119.070 0.017 0.000 2.854 134 H HA 0.367 nan 4.556 nan 0.000 0.275 134 H C -2.340 172.999 175.328 0.017 0.000 1.198 134 H CA -2.666 53.391 56.048 0.015 0.000 1.489 134 H CB 0.458 30.229 29.762 0.014 0.000 1.519 134 H HN -0.156 8.201 8.280 0.128 0.000 0.503 135 P HA -0.060 nan 4.420 nan 0.000 0.259 135 P C -1.517 175.823 177.300 0.066 0.000 1.635 135 P CA 0.457 63.595 63.100 0.064 0.000 1.199 135 P CB -0.505 31.215 31.700 0.034 0.000 1.850 136 D N 1.050 121.496 120.400 0.076 0.000 2.579 136 D HA 0.096 nan 4.640 nan 0.000 0.257 136 D C -0.872 175.453 176.300 0.042 0.000 1.176 136 D CA -1.691 52.341 54.000 0.054 0.000 0.914 136 D CB 2.322 43.155 40.800 0.054 0.000 1.431 136 D HN -0.548 7.857 8.370 0.089 0.019 0.454 137 Q N -1.003 118.810 119.800 0.022 0.000 2.451 137 Q HA -0.054 nan 4.340 nan 0.000 0.206 137 Q C 0.356 176.345 176.000 -0.018 0.000 0.947 137 Q CA 0.664 56.469 55.803 0.004 0.000 0.937 137 Q CB 0.521 29.257 28.738 -0.003 0.000 1.025 137 Q HN 0.289 8.571 8.270 0.019 0.000 0.511 138 Q N 0.795 120.586 119.800 -0.015 0.000 2.286 138 Q HA -0.186 nan 4.340 nan 0.000 0.290 138 Q C -0.860 175.121 176.000 -0.032 0.000 1.049 138 Q CA 0.738 56.523 55.803 -0.031 0.000 0.923 138 Q CB 0.431 29.142 28.738 -0.045 0.000 1.183 138 Q HN -0.665 7.830 8.270 -0.005 -0.228 0.383 139 S N 3.703 119.377 115.700 -0.042 0.000 2.576 139 S HA 0.202 nan 4.470 nan 0.000 0.272 139 S C -0.912 173.673 174.600 -0.025 0.000 1.352 139 S CA 0.867 59.043 58.200 -0.039 0.000 1.021 139 S CB 0.468 63.643 63.200 -0.042 0.000 0.887 139 S HN 0.222 8.505 8.310 -0.044 0.000 0.542 140 I N 0.583 121.149 120.570 -0.007 0.000 2.545 140 I HA 0.282 nan 4.170 nan 0.000 0.292 140 I C -2.150 173.973 176.117 0.010 0.000 1.040 140 I CA -0.604 60.699 61.300 0.005 0.000 1.068 140 I CB 3.297 41.317 38.000 0.032 0.000 1.251 140 I HN 0.562 8.769 8.210 -0.005 0.000 0.424 141 V N 6.432 126.350 119.914 0.007 0.000 2.577 141 V HA 0.601 nan 4.120 nan 0.000 0.303 141 V C -1.828 174.278 176.094 0.021 0.000 1.042 141 V CA -1.683 60.622 62.300 0.010 0.000 0.872 141 V CB 2.087 33.904 31.823 -0.009 0.000 0.998 141 V HN 0.151 8.343 8.190 0.003 0.000 0.423 142 V N 7.842 127.777 119.914 0.035 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.738 174.387 176.094 0.052 0.000 1.043 142 V CA -1.627 60.701 62.300 0.048 0.000 0.888 142 V CB 3.390 35.250 31.823 0.062 0.000 0.995 142 V HN 0.776 8.989 8.190 0.038 0.000 0.429 143 E N 5.706 125.942 120.200 0.059 0.000 2.105 143 E HA 0.151 nan 4.350 nan 0.000 0.285 143 E C 0.354 177.023 176.600 0.114 0.000 1.055 143 E CA -0.889 55.560 56.400 0.083 0.000 0.843 143 E CB 0.630 30.393 29.700 0.105 0.000 1.067 143 E HN 0.456 8.850 8.360 0.057 0.000 0.398 144 A N 8.196 131.096 122.820 0.134 0.000 2.019 144 A HA -0.242 nan 4.320 nan 0.000 0.219 144 A C 0.862 178.547 177.584 0.169 0.000 1.164 144 A CA 2.605 54.736 52.037 0.157 0.000 0.644 144 A CB -0.498 18.624 19.000 0.203 0.000 0.805 144 A HN 0.849 8.960 8.150 0.113 0.106 0.449 145 E N -1.903 118.430 120.200 0.223 0.000 2.164 145 E HA -0.312 nan 4.350 nan 0.000 0.206 145 E C 0.254 176.930 176.600 0.126 0.000 1.032 145 E CA 1.668 58.191 56.400 0.205 0.000 0.832 145 E CB 0.172 29.977 29.700 0.175 0.000 0.742 145 E HN 0.083 8.557 8.360 0.263 0.044 0.460 146 E N -4.291 115.958 120.200 0.081 0.000 8.880 146 E HA -0.306 nan 4.350 nan 0.000 0.183 146 E C -1.652 174.957 176.600 0.015 0.000 1.450 146 E CA 0.516 56.934 56.400 0.029 0.000 2.521 146 E CB 0.242 29.932 29.700 -0.017 0.000 1.229 146 E HN 0.024 8.403 8.360 0.091 0.036 0.443 147 T N 1.510 116.054 114.554 -0.017 0.000 3.172 147 T HA 0.234 nan 4.350 nan 0.000 0.320 147 T C -1.571 173.098 174.700 -0.051 0.000 1.085 147 T CA -0.294 61.792 62.100 -0.022 0.000 1.052 147 T CB 1.223 70.088 68.868 -0.006 0.000 1.107 147 T HN -0.184 8.037 8.240 -0.032 0.000 0.458 148 G N 2.225 110.981 108.800 -0.073 0.000 2.579 148 G HA2 -0.018 nan 3.960 nan 0.000 0.292 148 G HA3 -0.018 nan 3.960 nan 0.000 0.292 148 G C -2.126 172.719 174.900 -0.091 0.000 1.484 148 G CA -0.064 44.982 45.100 -0.090 0.000 0.813 148 G HN -0.223 8.029 8.290 -0.064 0.000 0.515 149 N N 0.837 119.496 118.700 -0.068 0.000 2.400 149 N HA 0.024 nan 4.740 nan 0.000 0.267 149 N C 0.111 175.583 175.510 -0.064 0.000 1.208 149 N CA -0.742 52.279 53.050 -0.048 0.000 0.951 149 N CB -0.036 38.435 38.487 -0.027 0.000 1.227 149 N HN 0.072 8.417 8.380 -0.059 0.000 0.488 150 I N 6.527 127.064 120.570 -0.056 0.000 2.455 150 I HA -0.181 nan 4.170 nan 0.000 0.303 150 I C 0.230 176.355 176.117 0.013 0.000 1.180 150 I CA 0.650 61.928 61.300 -0.037 0.000 1.469 150 I CB -1.286 36.740 38.000 0.044 0.000 1.480 150 I HN 0.264 8.449 8.210 -0.042 0.000 0.669 151 L N 6.435 127.661 121.223 0.006 0.000 2.131 151 L HA -0.149 nan 4.340 nan 0.000 0.206 151 L C 0.703 177.604 176.870 0.051 0.000 1.087 151 L CA 1.263 56.119 54.840 0.026 0.000 0.767 151 L CB -0.390 41.681 42.059 0.020 0.000 0.917 151 L HN -0.034 8.147 8.230 -0.019 0.038 0.441 152 D N -0.878 119.564 120.400 0.070 0.000 2.308 152 D HA 0.213 nan 4.640 nan 0.000 0.251 152 D C -0.658 175.722 176.300 0.134 0.000 1.127 152 D CA -2.170 51.893 54.000 0.105 0.000 0.876 152 D CB 1.229 42.108 40.800 0.132 0.000 1.176 152 D HN -0.493 7.909 8.370 0.053 0.000 0.446 153 P HA -0.171 nan 4.420 nan 0.000 0.216 153 P C 0.903 178.268 177.300 0.107 0.000 1.153 153 P CA 1.757 64.913 63.100 0.093 0.000 0.848 153 P CB 0.458 32.194 31.700 0.060 0.000 0.787 154 E N -2.307 117.969 120.200 0.126 0.000 2.204 154 E HA -0.248 nan 4.350 nan 0.000 0.194 154 E C 1.996 178.678 176.600 0.136 0.000 0.989 154 E CA 2.004 58.473 56.400 0.115 0.000 0.824 154 E CB -0.469 29.312 29.700 0.134 0.000 0.756 154 E HN -0.436 8.389 8.360 0.136 -0.384 0.477 155 Y N 0.653 121.009 120.300 0.094 0.000 2.283 155 Y HA -0.409 nan 4.550 nan 0.000 0.285 155 Y C 1.826 177.772 175.900 0.076 0.000 1.176 155 Y CA 2.705 60.866 58.100 0.100 0.000 1.229 155 Y CB -0.150 38.366 38.460 0.094 0.000 0.975 155 Y HN -0.334 8.375 8.280 0.321 -0.237 0.537 156 K N -1.139 119.199 120.400 -0.104 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.997 178.496 176.600 -0.168 0.000 1.052 156 K CA 2.957 59.177 56.287 -0.111 0.000 0.937 156 K CB -0.570 31.940 32.500 0.016 0.000 0.719 156 K HN -0.498 7.767 8.250 0.064 0.023 0.446 157 L N -3.200 117.876 121.223 -0.245 0.000 2.633 157 L HA -0.115 nan 4.340 nan 0.000 0.235 157 L C 1.054 177.616 176.870 -0.514 0.000 1.163 157 L CA 1.194 55.693 54.840 -0.568 0.000 0.859 157 L CB -0.956 40.937 42.059 -0.278 0.000 0.973 157 L HN -0.141 7.915 8.230 -0.126 0.098 0.451 158 S N 0.209 115.729 115.700 -0.299 0.000 2.603 158 S HA -0.203 nan 4.470 nan 0.000 0.229 158 S C 1.313 175.865 174.600 -0.079 0.000 0.972 158 S CA 2.501 60.615 58.200 -0.144 0.000 0.935 158 S CB -0.303 62.834 63.200 -0.105 0.000 0.769 158 S HN -0.571 7.371 8.310 -0.280 0.200 0.536 159 Y N -0.824 119.493 120.300 0.028 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.277 176.303 175.900 0.210 0.000 1.146 159 Y CA 1.774 59.942 58.100 0.113 0.000 1.164 159 Y CB -0.937 37.568 38.460 0.075 0.000 0.982 159 Y HN -0.474 7.633 8.280 -0.244 0.027 0.515 160 F N 0.268 120.111 119.950 -0.178 0.000 2.222 160 F HA 0.055 nan 4.527 nan 0.000 0.285 160 F C 1.776 177.563 175.800 -0.022 0.000 1.068 160 F CA 1.128 59.126 58.000 -0.003 0.000 1.265 160 F CB 1.705 40.661 39.000 -0.073 0.000 1.087 160 F HN -0.630 7.281 8.300 -0.397 0.150 0.511 161 R N -0.998 119.465 120.500 -0.060 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.587 176.746 176.300 -0.236 0.000 1.136 161 R CA 3.072 59.076 56.100 -0.161 0.000 0.959 161 R CB 0.046 30.343 30.300 -0.006 0.000 0.856 161 R HN -0.528 7.782 8.270 0.067 0.000 0.437 162 E N -4.548 115.576 120.200 -0.126 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.422 175.138 176.600 -0.068 0.000 1.041 162 E CA -0.711 55.636 56.400 -0.087 0.000 0.883 162 E CB -0.235 29.472 29.700 0.012 0.000 1.024 162 E HN -0.206 8.079 8.360 -0.074 0.031 0.470 163 D N 0.044 120.385 120.400 -0.099 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.669 176.956 176.300 -0.022 0.000 1.115 163 D CA -0.232 53.741 54.000 -0.045 0.000 0.917 163 D CB 1.428 42.208 40.800 -0.034 0.000 1.192 163 D HN -0.902 7.263 8.370 -0.190 0.091 0.428 164 I N 3.682 124.235 120.570 -0.029 0.000 2.142 164 I HA -0.278 nan 4.170 nan 0.000 0.240 164 I C 1.071 177.230 176.117 0.070 0.000 1.078 164 I CA 3.657 64.968 61.300 0.019 0.000 1.343 164 I CB 0.248 38.100 38.000 -0.246 0.000 1.046 164 I HN 0.419 8.577 8.210 -0.087 0.000 0.405 165 G N -2.976 105.821 108.800 -0.005 0.000 2.403 165 G HA2 -0.216 nan 3.960 nan 0.000 0.216 165 G HA3 -0.216 nan 3.960 nan 0.000 0.216 165 G C 1.430 176.259 174.900 -0.119 0.000 1.154 165 G CA 1.697 46.778 45.100 -0.031 0.000 0.784 165 G HN -0.176 8.115 8.290 0.001 0.000 0.538 166 I N 2.931 123.331 120.570 -0.283 0.000 2.069 166 I HA -0.550 nan 4.170 nan 0.000 0.237 166 I C 1.652 177.695 176.117 -0.123 0.000 1.053 166 I CA 3.048 64.103 61.300 -0.408 0.000 1.311 166 I CB -0.805 36.870 38.000 -0.542 0.000 1.030 166 I HN -0.870 7.348 8.210 -0.281 -0.177 0.398 167 N N -1.125 117.547 118.700 -0.046 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.315 177.936 175.510 0.185 0.000 1.016 167 N CA 3.025 56.068 53.050 -0.012 0.000 0.866 167 N CB -0.216 38.131 38.487 -0.234 0.000 0.980 167 N HN -0.068 8.293 8.380 -0.032 0.000 0.430 168 A N 0.428 123.419 122.820 0.286 0.000 1.877 168 A HA -0.278 nan 4.320 nan 0.000 0.216 168 A C 1.592 179.180 177.584 0.008 0.000 1.186 168 A CA 3.190 55.292 52.037 0.109 0.000 0.620 168 A CB -0.788 18.259 19.000 0.079 0.000 0.822 168 A HN 0.111 8.454 8.150 0.322 0.000 0.443 169 H N 0.144 119.291 119.070 0.127 0.000 2.357 169 H HA -0.458 nan 4.556 nan 0.000 0.296 169 H C 1.985 177.522 175.328 0.348 0.000 1.108 169 H CA 4.057 60.259 56.048 0.257 0.000 1.273 169 H CB 0.001 29.886 29.762 0.206 0.000 1.367 169 H HN -0.194 8.221 8.280 0.226 0.000 0.498 170 H N -1.111 118.077 119.070 0.196 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.796 178.349 175.328 0.375 0.000 1.087 170 H CA 3.806 60.012 56.048 0.264 0.000 1.291 170 H CB 0.255 30.136 29.762 0.198 0.000 1.369 170 H HN -0.550 7.943 8.280 0.383 0.016 0.492 171 W N 0.652 122.071 121.300 0.199 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.721 178.379 176.519 0.231 0.000 1.219 171 W CA 3.998 61.469 57.345 0.210 0.000 1.277 171 W CB -0.289 29.247 29.460 0.126 0.000 1.161 171 W HN -0.448 8.022 8.180 0.482 0.000 0.476 172 H N -2.430 116.921 119.070 0.469 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.311 177.675 175.328 0.059 0.000 1.113 172 H CA 3.206 59.389 56.048 0.226 0.000 1.277 172 H CB -0.865 29.005 29.762 0.179 0.000 1.370 172 H HN -0.035 8.275 8.280 0.048 0.000 0.506 173 W N -0.256 121.028 121.300 -0.027 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.875 178.425 176.519 0.051 0.000 1.208 173 W CA 4.823 62.144 57.345 -0.040 0.000 1.274 173 W CB 0.049 29.426 29.460 -0.139 0.000 1.138 173 W HN 0.669 8.958 8.180 0.182 0.000 0.515 174 H N -3.466 115.799 119.070 0.326 0.000 2.539 174 H HA -0.056 nan 4.556 nan 0.000 0.267 174 H C 1.194 176.467 175.328 -0.093 0.000 0.982 174 H CA 2.561 58.729 56.048 0.201 0.000 1.146 174 H CB 0.241 30.187 29.762 0.305 0.000 1.382 174 H HN -0.674 7.873 8.280 0.444 0.000 0.577 175 I N -1.161 119.364 120.570 -0.075 0.000 2.584 175 I HA -0.189 nan 4.170 nan 0.000 0.255 175 I C 1.423 177.434 176.117 -0.176 0.000 1.145 175 I CA 1.202 62.364 61.300 -0.231 0.000 1.462 175 I CB 0.711 38.624 38.000 -0.144 0.000 1.102 175 I HN -0.301 7.830 8.210 0.022 0.093 0.433 176 V N -5.382 114.374 119.914 -0.264 0.000 2.591 176 V HA -0.103 nan 4.120 nan 0.000 0.249 176 V C 0.443 176.057 176.094 -0.801 0.000 1.053 176 V CA 1.878 63.888 62.300 -0.483 0.000 1.068 176 V CB -0.248 31.192 31.823 -0.638 0.000 0.689 176 V HN -0.369 7.694 8.190 -0.211 0.000 0.462 177 Y N -1.551 118.519 120.300 -0.382 0.000 2.919 177 Y HA 0.555 nan 4.550 nan 0.000 0.341 177 Y C -2.592 173.270 175.900 -0.063 0.000 1.045 177 Y CA -3.611 54.273 58.100 -0.361 0.000 1.218 177 Y CB -0.665 37.438 38.460 -0.595 0.000 1.137 177 Y HN -0.013 7.865 8.280 -0.485 0.111 0.577 178 P HA 0.107 nan 4.420 nan 0.000 0.276 178 P C -0.033 177.358 177.300 0.152 0.000 1.230 178 P CA -0.278 62.895 63.100 0.122 0.000 0.776 178 P CB 0.769 32.481 31.700 0.020 0.000 0.888 179 A N 4.601 127.502 122.820 0.135 0.000 1.940 179 A HA -0.287 nan 4.320 nan 0.000 0.219 179 A C 0.708 178.325 177.584 0.056 0.000 1.176 179 A CA 3.230 55.314 52.037 0.078 0.000 0.631 179 A CB -0.455 18.572 19.000 0.045 0.000 0.814 179 A HN 0.644 8.886 8.150 0.152 0.000 0.446 180 T N -5.683 108.880 114.554 0.015 0.000 3.252 180 T HA -0.090 nan 4.350 nan 0.000 0.250 180 T C 0.649 175.273 174.700 -0.126 0.000 1.123 180 T CA -1.172 60.891 62.100 -0.061 0.000 1.006 180 T CB -1.405 67.381 68.868 -0.136 0.000 0.992 180 T HN -0.170 8.080 8.240 0.017 0.000 0.547 181 W N 4.287 125.471 121.300 -0.193 0.000 2.771 181 W HA -0.223 nan 4.660 nan 0.000 0.407 181 W C -1.737 174.689 176.519 -0.155 0.000 1.221 181 W CA -0.164 57.058 57.345 -0.205 0.000 1.539 181 W CB -0.948 28.401 29.460 -0.186 0.000 1.647 181 W HN -0.261 7.832 8.180 0.166 0.187 0.469 182 N N 7.960 126.378 118.700 -0.470 0.000 2.452 182 N HA -0.063 nan 4.740 nan 0.000 0.266 182 N C -1.105 174.016 175.510 -0.648 0.000 1.209 182 N CA -0.946 51.856 53.050 -0.414 0.000 0.929 182 N CB 0.921 39.202 38.487 -0.342 0.000 1.063 182 N HN -0.351 7.716 8.380 -0.457 0.039 0.472 183 P HA -0.117 nan 4.420 nan 0.000 0.216 183 P C 0.143 177.334 177.300 -0.182 0.000 1.153 183 P CA 1.951 64.969 63.100 -0.136 0.000 0.844 183 P CB 0.623 32.349 31.700 0.044 0.000 0.787 184 T N -4.585 109.874 114.554 -0.158 0.000 2.732 184 T HA -0.156 nan 4.350 nan 0.000 0.261 184 T C 2.859 177.466 174.700 -0.155 0.000 1.040 184 T CA 3.274 65.305 62.100 -0.115 0.000 1.145 184 T CB -0.546 68.276 68.868 -0.078 0.000 0.866 184 T HN -0.138 8.178 8.240 -0.161 -0.173 0.427 185 V N 2.070 121.860 119.914 -0.206 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.208 177.111 176.094 -0.318 0.000 1.080 185 V CA 3.094 65.266 62.300 -0.212 0.000 1.101 185 V CB -0.645 31.064 31.823 -0.190 0.000 0.698 185 V HN 0.264 8.662 8.190 -0.210 -0.334 0.477 186 M N -2.676 116.626 119.600 -0.497 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.588 176.300 -0.261 0.000 1.201 186 M CA -1.581 53.356 55.300 -0.606 0.000 0.973 186 M CB -0.669 31.108 32.600 -1.371 0.000 1.401 186 M HN -0.410 7.545 8.290 -0.522 0.022 0.497 187 G N 0.518 109.230 108.800 -0.146 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.019 173.891 174.900 0.016 0.000 1.113 187 G CA 1.124 46.201 45.100 -0.039 0.000 0.655 187 G HN 0.126 8.117 8.290 -0.176 0.193 0.513 188 K N -0.518 119.930 120.400 0.080 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.054 174.708 176.600 0.269 0.000 1.006 188 K CA -1.208 55.160 56.287 0.135 0.000 0.890 188 K CB 2.512 35.082 32.500 0.117 0.000 1.475 188 K HN -0.370 7.829 8.250 0.084 0.102 0.441 189 E N -0.190 120.118 120.200 0.179 0.000 2.285 189 E HA 0.207 nan 4.350 nan 0.000 0.254 189 E C -0.655 175.953 176.600 0.014 0.000 1.011 189 E CA -1.529 54.982 56.400 0.185 0.000 0.873 189 E CB 1.621 31.391 29.700 0.117 0.000 1.229 189 E HN 0.177 8.602 8.360 0.108 0.000 0.422 190 K N 0.214 120.597 120.400 -0.028 0.000 2.572 190 K HA 0.280 nan 4.320 nan 0.000 0.244 190 K C -1.145 175.466 176.600 0.019 0.000 0.965 190 K CA -1.428 54.797 56.287 -0.105 0.000 0.943 190 K CB 0.889 33.226 32.500 -0.273 0.000 1.154 190 K HN 0.312 8.595 8.250 0.056 0.000 0.447 191 D N 5.846 126.272 120.400 0.044 0.000 2.502 191 D HA -0.196 nan 4.640 nan 0.000 0.249 191 D C -0.240 176.078 176.300 0.030 0.000 1.188 191 D CA 1.461 55.494 54.000 0.055 0.000 0.890 191 D CB 0.162 41.002 40.800 0.067 0.000 1.140 191 D HN 0.473 8.856 8.370 0.022 0.000 0.505 192 R N -0.212 120.300 120.500 0.019 0.000 3.641 192 R HA -0.525 nan 4.340 nan 0.000 0.286 192 R C 0.511 176.782 176.300 -0.049 0.000 1.153 192 R CA 1.183 57.286 56.100 0.005 0.000 0.775 192 R CB -2.091 28.218 30.300 0.015 0.000 1.215 192 R HN 0.696 8.989 8.270 0.037 0.000 0.474 193 K N -1.042 119.297 120.400 -0.102 0.000 2.152 193 K HA -0.278 nan 4.320 nan 0.000 0.206 193 K C 1.822 178.441 176.600 0.031 0.000 1.048 193 K CA 2.786 58.938 56.287 -0.225 0.000 0.933 193 K CB -0.572 31.808 32.500 -0.201 0.000 0.721 193 K HN -0.498 7.723 8.250 -0.049 0.000 0.447 194 G N -1.103 107.758 108.800 0.102 0.000 2.434 194 G HA2 -0.262 nan 3.960 nan 0.000 0.214 194 G HA3 -0.262 nan 3.960 nan 0.000 0.214 194 G C 0.341 175.411 174.900 0.284 0.000 1.202 194 G CA 1.678 46.919 45.100 0.234 0.000 0.788 194 G HN 0.197 8.824 8.290 0.070 -0.295 0.539 195 E N 2.380 122.680 120.200 0.168 0.000 2.058 195 E HA -0.288 nan 4.350 nan 0.000 0.194 195 E C 1.976 178.645 176.600 0.114 0.000 0.997 195 E CA 2.577 59.054 56.400 0.128 0.000 0.801 195 E CB -0.169 29.579 29.700 0.079 0.000 0.746 195 E HN -0.850 7.765 8.360 0.135 -0.174 0.450 196 L N -1.002 120.287 121.223 0.110 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.157 178.190 176.870 0.271 0.000 1.092 196 L CA 2.776 57.725 54.840 0.181 0.000 0.759 196 L CB -0.514 41.633 42.059 0.146 0.000 0.903 196 L HN 0.069 8.348 8.230 0.082 0.000 0.435 197 F N 0.693 120.726 119.950 0.139 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.299 176.994 175.800 -0.175 0.000 1.087 197 F CA 3.229 61.197 58.000 -0.052 0.000 1.340 197 F CB -0.061 38.967 39.000 0.045 0.000 1.031 197 F HN -0.483 7.936 8.300 0.390 0.115 0.500 198 F N 1.470 121.008 119.950 -0.686 0.000 2.026 198 F HA -0.491 nan 4.527 nan 0.000 0.296 198 F C 0.617 176.135 175.800 -0.470 0.000 1.133 198 F CA 2.998 60.375 58.000 -1.038 0.000 1.188 198 F CB -0.709 37.449 39.000 -1.402 0.000 0.968 198 F HN 0.043 8.191 8.300 -0.133 0.072 0.476 199 Y N -0.043 119.731 120.300 -0.877 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.242 175.900 -0.636 0.000 1.143 199 Y CA 3.555 61.088 58.100 -0.945 0.000 1.115 199 Y CB -0.082 38.065 38.460 -0.522 0.000 0.975 199 Y HN -0.121 8.015 8.280 -0.240 0.000 0.487 200 M N -2.063 117.216 119.600 -0.536 0.000 2.143 200 M HA -0.528 nan 4.480 nan 0.000 0.258 200 M C 1.837 177.662 176.300 -0.791 0.000 1.071 200 M CA 3.059 57.923 55.300 -0.727 0.000 1.088 200 M CB -0.431 31.708 32.600 -0.768 0.000 1.360 200 M HN 0.075 8.238 8.290 -0.211 0.000 0.404 201 H N -2.062 116.654 119.070 -0.590 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.448 177.617 175.328 -0.264 0.000 1.059 201 H CA 3.963 59.813 56.048 -0.330 0.000 1.363 201 H CB -0.435 29.119 29.762 -0.346 0.000 1.410 201 H HN -0.457 7.449 8.280 -0.398 0.135 0.528 202 Q N -0.099 119.495 119.800 -0.343 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.331 178.126 176.000 -0.342 0.000 0.982 202 Q CA 3.459 59.087 55.803 -0.293 0.000 0.838 202 Q CB -0.166 28.312 28.738 -0.432 0.000 0.899 202 Q HN -0.005 7.964 8.270 -0.502 0.000 0.423 203 Q N -1.141 118.257 119.800 -0.670 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.700 178.378 176.000 -0.537 0.000 0.987 203 Q CA 2.784 58.137 55.803 -0.750 0.000 0.858 203 Q CB -0.432 27.462 28.738 -1.405 0.000 0.905 203 Q HN 0.222 7.932 8.270 -0.933 0.000 0.420 204 M N -0.268 119.090 119.600 -0.403 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.071 178.555 176.300 0.307 0.000 1.071 204 M CA 4.520 59.863 55.300 0.071 0.000 1.103 204 M CB -0.017 32.739 32.600 0.259 0.000 1.307 204 M HN 0.060 8.038 8.290 -0.520 0.000 0.409 205 C N -2.522 116.930 119.300 0.253 0.000 2.472 205 C HA -0.152 nan 4.460 nan 0.000 0.278 205 C C 2.088 177.212 174.990 0.222 0.000 1.447 205 C CA 2.436 61.667 59.018 0.356 0.000 1.773 205 C CB -2.439 25.509 27.740 0.346 0.000 1.793 205 C HN -0.177 8.131 8.230 0.130 0.000 0.544 206 A N 1.189 124.061 122.820 0.086 0.000 1.935 206 A HA -0.135 nan 4.320 nan 0.000 0.214 206 A C 1.486 179.081 177.584 0.018 0.000 1.178 206 A CA 3.030 55.093 52.037 0.042 0.000 0.640 206 A CB -0.624 18.380 19.000 0.006 0.000 0.825 206 A HN 0.678 8.708 8.150 0.013 0.128 0.447 207 R N -0.484 120.020 120.500 0.006 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.021 178.197 176.300 -0.206 0.000 1.137 207 R CA 3.568 59.650 56.100 -0.030 0.000 0.951 207 R CB -0.131 30.226 30.300 0.095 0.000 0.851 207 R HN -0.173 8.084 8.270 -0.022 0.000 0.434 208 Y N 0.480 120.600 120.300 -0.301 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.345 177.072 175.900 -0.287 0.000 1.159 208 Y CA 3.475 61.311 58.100 -0.440 0.000 1.125 208 Y CB -0.151 38.130 38.460 -0.299 0.000 0.969 208 Y HN 0.156 8.568 8.280 0.222 0.000 0.492 209 D N -2.683 117.656 120.400 -0.103 0.000 2.228 209 D HA -0.396 nan 4.640 nan 0.000 0.203 209 D C 2.732 178.929 176.300 -0.173 0.000 0.988 209 D CA 3.266 57.171 54.000 -0.158 0.000 0.864 209 D CB -0.940 39.850 40.800 -0.016 0.000 0.928 209 D HN 0.031 8.338 8.370 0.107 0.127 0.469 210 S N -0.216 115.413 115.700 -0.119 0.000 2.345 210 S HA -0.207 nan 4.470 nan 0.000 0.220 210 S C 2.502 177.053 174.600 -0.083 0.000 1.031 210 S CA 3.025 61.206 58.200 -0.030 0.000 0.996 210 S CB -0.032 63.221 63.200 0.087 0.000 0.882 210 S HN -0.224 8.005 8.310 -0.102 0.020 0.445 211 E N 1.690 121.759 120.200 -0.218 0.000 2.187 211 E HA -0.413 nan 4.350 nan 0.000 0.199 211 E C 2.467 178.905 176.600 -0.271 0.000 1.004 211 E CA 3.166 59.431 56.400 -0.224 0.000 0.813 211 E CB -0.477 28.966 29.700 -0.427 0.000 0.736 211 E HN -0.119 8.007 8.360 -0.293 0.058 0.468 212 R N -1.625 118.607 120.500 -0.447 0.000 2.070 212 R HA -0.278 nan 4.340 nan 0.000 0.233 212 R C 2.584 178.773 176.300 -0.184 0.000 1.137 212 R CA 3.180 59.064 56.100 -0.360 0.000 0.945 212 R CB -0.103 29.938 30.300 -0.432 0.000 0.845 212 R HN 0.246 8.164 8.270 -0.579 0.005 0.430 213 L N -1.503 119.629 121.223 -0.152 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.702 179.531 176.870 -0.070 0.000 1.105 213 L CA 2.760 57.532 54.840 -0.114 0.000 0.775 213 L CB -0.614 41.362 42.059 -0.138 0.000 0.913 213 L HN -0.499 7.625 8.230 -0.176 0.000 0.440 214 S N 1.762 117.464 115.700 0.003 0.000 2.368 214 S HA -0.352 nan 4.470 nan 0.000 0.225 214 S C 1.708 176.323 174.600 0.025 0.000 1.030 214 S CA 4.442 62.697 58.200 0.093 0.000 0.999 214 S CB -0.537 62.758 63.200 0.159 0.000 0.844 214 S HN 0.492 8.662 8.310 -0.015 0.131 0.459 215 N N -1.484 117.213 118.700 -0.005 0.000 2.520 215 N HA -0.215 nan 4.740 nan 0.000 0.185 215 N C 0.191 175.680 175.510 -0.035 0.000 1.068 215 N CA 0.998 54.039 53.050 -0.016 0.000 0.911 215 N CB 0.223 38.700 38.487 -0.017 0.000 0.961 215 N HN -0.821 7.541 8.380 -0.016 0.009 0.446 216 G N -1.864 106.903 108.800 -0.055 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.860 174.002 174.900 -0.063 0.000 1.062 216 G CA 0.277 45.337 45.100 -0.068 0.000 0.815 216 G HN -0.418 7.620 8.290 -0.058 0.216 0.497 217 L N -2.268 118.912 121.223 -0.073 0.000 2.299 217 L HA 0.411 nan 4.340 nan 0.000 0.268 217 L C -0.744 176.076 176.870 -0.083 0.000 1.012 217 L CA -2.096 52.702 54.840 -0.072 0.000 0.816 217 L CB 2.793 44.803 42.059 -0.081 0.000 1.355 217 L HN -0.032 8.148 8.230 -0.084 0.000 0.457 218 Q N -3.243 116.516 119.800 -0.069 0.000 2.260 218 Q HA 0.181 nan 4.340 nan 0.000 0.238 218 Q C -0.376 175.575 176.000 -0.081 0.000 0.948 218 Q CA -0.992 54.772 55.803 -0.064 0.000 0.895 218 Q CB 0.985 29.701 28.738 -0.036 0.000 1.218 218 Q HN 0.032 8.270 8.270 -0.054 0.000 0.470 219 R N -0.284 120.173 120.500 -0.071 0.000 2.740 219 R HA -0.259 nan 4.340 nan 0.000 0.263 219 R C -0.145 176.156 176.300 0.001 0.000 0.997 219 R CA 1.256 57.323 56.100 -0.054 0.000 1.108 219 R CB 0.408 30.696 30.300 -0.021 0.000 0.969 219 R HN -0.184 8.257 8.270 -0.065 -0.210 0.431 220 M N 1.910 121.546 119.600 0.060 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.373 176.015 176.300 0.147 0.000 1.342 220 M CA -1.013 54.379 55.300 0.154 0.000 1.117 220 M CB 0.784 33.591 32.600 0.345 0.000 1.670 220 M HN -0.012 8.678 8.290 0.068 -0.358 0.466 221 I N 7.111 127.757 120.570 0.128 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.825 174.380 176.117 0.145 0.000 1.140 221 I CA -2.715 58.653 61.300 0.113 0.000 1.420 221 I CB 0.963 39.014 38.000 0.085 0.000 1.387 221 I HN 0.103 8.385 8.210 0.119 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.150 176.222 177.300 0.119 0.000 1.218 222 P CA -0.869 62.326 63.100 0.159 0.000 0.780 222 P CB 0.726 32.529 31.700 0.172 0.000 0.901 223 F N 3.945 123.816 119.950 -0.132 0.000 2.661 223 F HA -0.078 nan 4.527 nan 0.000 0.356 223 F C -1.198 174.089 175.800 -0.855 0.000 1.244 223 F CA -0.995 56.778 58.000 -0.379 0.000 1.290 223 F CB -1.277 37.528 39.000 -0.326 0.000 1.677 223 F HN 0.184 8.520 8.300 0.180 0.072 0.649 224 H N 3.782 122.493 119.070 -0.599 0.000 2.436 224 H HA -0.099 nan 4.556 nan 0.000 0.294 224 H C -0.436 174.473 175.328 -0.698 0.000 1.048 224 H CA 2.052 57.786 56.048 -0.523 0.000 1.353 224 H CB 1.009 30.671 29.762 -0.167 0.000 1.414 224 H HN -0.046 8.055 8.280 -0.210 0.053 0.536 225 N N -2.413 115.831 118.700 -0.759 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.440 174.414 175.510 -1.093 0.000 1.133 225 N CA -1.409 51.285 53.050 -0.594 0.000 0.853 225 N CB 1.637 39.970 38.487 -0.257 0.000 1.241 225 N HN -0.519 7.384 8.380 -0.795 0.000 0.502 226 F N -0.574 119.032 119.950 -0.573 0.000 2.530 226 F HA -0.037 nan 4.527 nan 0.000 0.292 226 F C 0.947 176.644 175.800 -0.172 0.000 1.109 226 F CA 1.843 59.607 58.000 -0.393 0.000 1.450 226 F CB 0.729 39.673 39.000 -0.094 0.000 1.114 226 F HN 0.423 8.759 8.300 0.061 0.000 0.560 227 D N -0.788 119.610 120.400 -0.003 0.000 2.104 227 D HA -0.265 nan 4.640 nan 0.000 0.194 227 D C 0.524 176.831 176.300 0.010 0.000 0.994 227 D CA 2.451 56.455 54.000 0.006 0.000 0.830 227 D CB -0.384 40.405 40.800 -0.017 0.000 0.959 227 D HN -0.718 7.883 8.370 -0.018 -0.242 0.452 228 E N -0.302 119.859 120.200 -0.065 0.000 2.493 228 E HA 0.050 nan 4.350 nan 0.000 0.255 228 E C -1.351 175.331 176.600 0.137 0.000 0.999 228 E CA -1.184 55.212 56.400 -0.008 0.000 0.934 228 E CB -0.438 29.211 29.700 -0.086 0.000 0.940 228 E HN -0.063 8.195 8.360 -0.170 0.000 0.473 229 P HA -0.151 nan 4.420 nan 0.000 0.267 229 P C -1.594 175.856 177.300 0.251 0.000 1.195 229 P CA 0.667 63.893 63.100 0.211 0.000 0.773 229 P CB 0.349 32.151 31.700 0.171 0.000 0.837 230 L N 1.554 122.928 121.223 0.252 0.000 2.325 230 L HA 0.203 nan 4.340 nan 0.000 0.279 230 L C -0.119 176.840 176.870 0.148 0.000 1.054 230 L CA -0.688 54.261 54.840 0.182 0.000 0.804 230 L CB 1.081 43.210 42.059 0.117 0.000 1.200 230 L HN 0.256 8.548 8.230 0.284 0.109 0.436 231 E N 2.056 122.325 120.200 0.116 0.000 2.422 231 E HA -0.150 nan 4.350 nan 0.000 0.260 231 E C 0.341 176.987 176.600 0.077 0.000 1.108 231 E CA 0.639 57.100 56.400 0.102 0.000 0.943 231 E CB 0.782 30.543 29.700 0.101 0.000 0.961 231 E HN 0.286 8.714 8.360 0.113 0.000 0.443 232 G N -0.548 108.300 108.800 0.080 0.000 2.377 232 G HA2 0.388 nan 3.960 nan 0.000 0.299 232 G HA3 0.388 nan 3.960 nan 0.000 0.299 232 G C -1.753 173.247 174.900 0.166 0.000 1.150 232 G CA -0.419 44.713 45.100 0.054 0.000 0.847 232 G HN 0.016 8.362 8.290 0.094 0.000 0.501 233 Y N 3.936 124.206 120.300 -0.049 0.000 2.474 233 Y HA 0.071 nan 4.550 nan 0.000 0.326 233 Y C -2.897 172.959 175.900 -0.074 0.000 1.160 233 Y CA 0.458 58.540 58.100 -0.031 0.000 1.056 233 Y CB 4.263 42.716 38.460 -0.012 0.000 1.330 233 Y HN 0.872 9.077 8.280 0.051 0.106 0.447 234 A N 5.896 128.250 122.820 -0.778 0.000 2.293 234 A HA 0.468 nan 4.320 nan 0.000 0.312 234 A C -1.832 175.101 177.584 -1.084 0.000 1.309 234 A CA -4.411 47.150 52.037 -0.793 0.000 0.839 234 A CB 0.543 19.129 19.000 -0.691 0.000 1.155 234 A HN 0.300 7.971 8.150 -0.799 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.728 176.541 177.300 -0.051 0.000 1.148 235 P CA 1.142 64.050 63.100 -0.320 0.000 0.803 235 P CB 0.168 31.791 31.700 -0.127 0.000 0.782 236 H N -6.878 112.103 119.070 -0.148 0.000 2.880 236 H HA -0.284 nan 4.556 nan 0.000 0.304 236 H C -1.698 173.630 175.328 0.001 0.000 1.259 236 H CA 0.339 56.351 56.048 -0.059 0.000 1.153 236 H CB -1.886 27.849 29.762 -0.044 0.000 1.395 236 H HN 0.380 8.356 8.280 -0.426 0.049 0.420 237 L N -0.556 120.720 121.223 0.089 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.219 175.779 176.870 0.213 0.000 0.991 237 L CA -0.902 54.016 54.840 0.129 0.000 0.851 237 L CB 1.741 43.819 42.059 0.031 0.000 1.218 237 L HN -0.286 7.970 8.230 0.043 0.000 0.420 238 T N -0.624 114.032 114.554 0.171 0.000 2.875 238 T HA 0.464 nan 4.350 nan 0.000 0.284 238 T C -0.058 174.742 174.700 0.166 0.000 0.995 238 T CA -2.378 59.811 62.100 0.148 0.000 1.060 238 T CB 0.801 69.725 68.868 0.094 0.000 0.967 238 T HN 0.079 8.408 8.240 0.148 0.000 0.476 239 S N 3.648 119.418 115.700 0.118 0.000 2.499 239 S HA 0.315 nan 4.470 nan 0.000 0.275 239 S C 1.770 176.442 174.600 0.119 0.000 1.257 239 S CA -0.951 57.323 58.200 0.123 0.000 1.050 239 S CB 1.063 64.256 63.200 -0.013 0.000 0.937 239 S HN 0.094 8.436 8.310 0.053 0.000 0.490 240 L N 1.522 122.850 121.223 0.175 0.000 2.450 240 L HA -0.111 nan 4.340 nan 0.000 0.224 240 L C 0.674 177.628 176.870 0.141 0.000 1.149 240 L CA 2.164 57.099 54.840 0.159 0.000 0.816 240 L CB -0.595 41.579 42.059 0.193 0.000 0.932 240 L HN 0.093 8.690 8.230 0.227 -0.231 0.449 241 V N -7.550 112.451 119.914 0.144 0.000 3.141 241 V HA -0.099 nan 4.120 nan 0.000 0.265 241 V C 0.400 176.528 176.094 0.058 0.000 1.126 241 V CA 0.292 62.661 62.300 0.114 0.000 1.141 241 V CB -0.999 30.885 31.823 0.102 0.000 0.743 241 V HN 0.234 8.452 8.190 0.148 0.061 0.492 242 S N -0.340 115.386 115.700 0.043 0.000 3.407 242 S HA 0.225 nan 4.470 nan 0.000 0.315 242 S C -0.736 173.877 174.600 0.022 0.000 1.211 242 S CA -0.147 58.066 58.200 0.021 0.000 1.148 242 S CB 1.328 64.531 63.200 0.005 0.000 1.511 242 S HN -0.630 7.652 8.310 0.054 0.061 0.604 243 G N -0.703 108.103 108.800 0.011 0.000 2.709 243 G HA2 0.197 nan 3.960 nan 0.000 0.208 243 G HA3 0.197 nan 3.960 nan 0.000 0.208 243 G C 0.053 174.957 174.900 0.008 0.000 1.129 243 G CA 0.168 45.276 45.100 0.013 0.000 0.793 243 G HN 0.120 8.412 8.290 0.004 0.000 0.524 244 L N 0.706 121.924 121.223 -0.008 0.000 2.425 244 L HA 0.045 nan 4.340 nan 0.000 0.225 244 L C -0.661 176.190 176.870 -0.032 0.000 1.222 244 L CA 0.619 55.445 54.840 -0.024 0.000 0.832 244 L CB 0.893 42.928 42.059 -0.040 0.000 1.238 244 L HN -0.755 7.468 8.230 -0.010 0.000 0.533 245 Q N -5.387 114.384 119.800 -0.048 0.000 2.534 245 Q HA 0.294 nan 4.340 nan 0.000 0.290 245 Q C -1.255 174.704 176.000 -0.069 0.000 0.991 245 Q CA -1.500 54.286 55.803 -0.030 0.000 0.783 245 Q CB 2.771 31.540 28.738 0.052 0.000 1.470 245 Q HN -0.208 8.032 8.270 -0.051 0.000 0.406 246 Y N 0.426 120.725 120.300 -0.002 0.000 2.828 246 Y HA -0.308 nan 4.550 nan 0.000 0.359 246 Y C -0.117 175.768 175.900 -0.025 0.000 1.258 246 Y CA 1.385 59.483 58.100 -0.005 0.000 1.652 246 Y CB -1.092 37.363 38.460 -0.009 0.000 1.232 246 Y HN -0.296 8.145 8.280 0.269 0.000 0.513 247 A N 6.890 129.760 122.820 0.082 0.000 2.567 247 A HA -0.171 nan 4.320 nan 0.000 0.240 247 A C -1.392 176.210 177.584 0.030 0.000 1.053 247 A CA 0.720 52.779 52.037 0.036 0.000 0.755 247 A CB 0.531 19.552 19.000 0.035 0.000 0.978 247 A HN 0.277 8.457 8.150 0.050 0.000 0.507 248 S N 0.012 115.692 115.700 -0.033 0.000 2.509 248 S HA 0.335 nan 4.470 nan 0.000 0.297 248 S C -0.790 173.750 174.600 -0.099 0.000 1.118 248 S CA -1.869 56.289 58.200 -0.070 0.000 1.074 248 S CB 1.826 64.931 63.200 -0.159 0.000 1.038 248 S HN -0.342 7.937 8.310 -0.052 0.000 0.498 249 R N 3.393 123.837 120.500 -0.094 0.000 2.216 249 R HA 0.451 nan 4.340 nan 0.000 0.332 249 R C -1.727 174.408 176.300 -0.276 0.000 1.056 249 R CA -2.888 53.092 56.100 -0.200 0.000 0.901 249 R CB 0.733 30.959 30.300 -0.124 0.000 1.039 249 R HN 0.135 8.382 8.270 -0.039 0.000 0.456 250 P HA -0.058 nan 4.420 nan 0.000 0.272 250 P C -1.203 175.823 177.300 -0.458 0.000 1.223 250 P CA -0.227 62.650 63.100 -0.372 0.000 0.784 250 P CB 0.402 31.938 31.700 -0.273 0.000 0.923 251 E N 0.795 120.941 120.200 -0.091 0.000 2.369 251 E HA -0.110 nan 4.350 nan 0.000 0.255 251 E C 0.400 177.188 176.600 0.313 0.000 1.172 251 E CA -0.430 56.016 56.400 0.078 0.000 0.932 251 E CB 0.128 29.885 29.700 0.095 0.000 1.040 251 E HN -0.152 8.187 8.360 -0.035 0.000 0.454 252 G N -0.490 108.509 108.800 0.332 0.000 2.165 252 G HA2 -0.336 nan 3.960 nan 0.000 0.226 252 G HA3 -0.336 nan 3.960 nan 0.000 0.226 252 G C -1.030 174.091 174.900 0.368 0.000 1.035 252 G CA 0.203 45.489 45.100 0.310 0.000 0.744 252 G HN -0.167 8.276 8.290 0.254 0.000 0.501 253 Y N -0.361 120.005 120.300 0.110 0.000 2.356 253 Y HA 0.175 nan 4.550 nan 0.000 0.334 253 Y C -0.820 175.179 175.900 0.164 0.000 0.958 253 Y CA -3.145 55.037 58.100 0.137 0.000 1.196 253 Y CB 0.324 38.860 38.460 0.126 0.000 1.137 253 Y HN -0.847 7.721 8.280 0.480 0.000 0.485 254 S N 3.598 119.396 115.700 0.164 0.000 2.562 254 S HA 0.053 nan 4.470 nan 0.000 0.281 254 S C -0.489 174.249 174.600 0.230 0.000 1.333 254 S CA 0.015 58.298 58.200 0.139 0.000 1.052 254 S CB 0.806 63.998 63.200 -0.015 0.000 0.884 254 S HN 0.590 8.930 8.310 0.049 0.000 0.506 255 I N 5.682 126.383 120.570 0.218 0.000 2.754 255 I HA -0.110 nan 4.170 nan 0.000 0.285 255 I C -1.787 174.411 176.117 0.135 0.000 1.166 255 I CA 0.077 61.532 61.300 0.259 0.000 1.417 255 I CB 0.875 39.098 38.000 0.371 0.000 1.382 255 I HN 0.047 8.390 8.210 0.221 0.000 0.588 256 H N 5.943 125.083 119.070 0.116 0.000 2.806 256 H HA 0.237 nan 4.556 nan 0.000 0.367 256 H C -1.477 173.886 175.328 0.058 0.000 1.136 256 H CA -1.093 55.000 56.048 0.076 0.000 1.178 256 H CB 3.400 33.206 29.762 0.074 0.000 1.718 256 H HN 0.352 8.811 8.280 0.298 0.000 0.540 257 D N 1.857 122.335 120.400 0.131 0.000 2.364 257 D HA 0.099 nan 4.640 nan 0.000 0.236 257 D C -0.863 175.486 176.300 0.081 0.000 1.221 257 D CA 1.113 55.146 54.000 0.056 0.000 0.891 257 D CB 0.548 41.350 40.800 0.004 0.000 1.190 257 D HN 0.090 8.517 8.370 0.096 0.000 0.449 258 L N -0.887 120.361 121.223 0.041 0.000 2.323 258 L HA 0.291 nan 4.340 nan 0.000 0.265 258 L C 0.463 177.363 176.870 0.050 0.000 1.012 258 L CA -1.056 53.829 54.840 0.075 0.000 0.820 258 L CB 2.361 44.482 42.059 0.103 0.000 1.334 258 L HN 0.227 8.449 8.230 -0.012 0.000 0.427 259 S N 0.838 116.595 115.700 0.094 0.000 2.465 259 S HA -0.281 nan 4.470 nan 0.000 0.241 259 S C 0.031 174.670 174.600 0.065 0.000 1.000 259 S CA 2.796 61.048 58.200 0.086 0.000 0.964 259 S CB -0.203 63.075 63.200 0.131 0.000 0.763 259 S HN 0.809 9.194 8.310 0.124 0.000 0.512 260 D N 0.812 121.242 120.400 0.049 0.000 2.429 260 D HA -0.002 nan 4.640 nan 0.000 0.242 260 D C -0.501 175.682 176.300 -0.194 0.000 1.076 260 D CA 0.728 54.698 54.000 -0.051 0.000 0.955 260 D CB 0.815 41.602 40.800 -0.021 0.000 1.076 260 D HN 0.053 8.449 8.370 0.098 0.032 0.448 261 V N 1.167 120.900 119.914 -0.303 0.000 2.628 261 V HA 0.145 nan 4.120 nan 0.000 0.306 261 V C -1.278 174.655 176.094 -0.269 0.000 1.045 261 V CA -1.472 60.584 62.300 -0.407 0.000 0.905 261 V CB 2.777 34.154 31.823 -0.742 0.000 0.997 261 V HN -0.426 7.635 8.190 -0.216 0.000 0.436 262 D N 3.703 123.930 120.400 -0.288 0.000 2.339 262 D HA 0.057 nan 4.640 nan 0.000 0.245 262 D C 1.113 177.240 176.300 -0.288 0.000 1.115 262 D CA -0.178 53.681 54.000 -0.235 0.000 0.917 262 D CB 0.889 41.557 40.800 -0.221 0.000 1.192 262 D HN -0.059 8.116 8.370 -0.325 0.000 0.428 263 V N 0.625 120.412 119.914 -0.211 0.000 2.490 263 V HA -0.415 nan 4.120 nan 0.000 0.250 263 V C 1.772 177.620 176.094 -0.411 0.000 1.061 263 V CA 4.042 66.194 62.300 -0.246 0.000 1.064 263 V CB -0.906 30.831 31.823 -0.142 0.000 0.670 263 V HN 0.195 8.624 8.190 -0.153 -0.331 0.461 264 Q N -0.203 119.386 119.800 -0.352 0.000 2.030 264 Q HA -0.465 nan 4.340 nan 0.000 0.204 264 Q C 1.530 177.236 176.000 -0.490 0.000 0.986 264 Q CA 3.889 59.469 55.803 -0.371 0.000 0.843 264 Q CB -0.458 28.117 28.738 -0.273 0.000 0.904 264 Q HN 0.163 8.249 8.270 -0.278 0.018 0.420 265 D N 0.097 120.135 120.400 -0.602 0.000 2.218 265 D HA -0.233 nan 4.640 nan 0.000 0.204 265 D C 2.459 177.891 176.300 -1.446 0.000 0.976 265 D CA 3.254 56.687 54.000 -0.945 0.000 0.853 265 D CB -0.144 40.077 40.800 -0.964 0.000 0.939 265 D HN -0.292 8.022 8.370 -0.513 -0.252 0.481 266 M N -0.854 118.146 119.600 -1.001 0.000 2.080 266 M HA -0.330 nan 4.480 nan 0.000 0.260 266 M C 2.376 178.497 176.300 -0.299 0.000 1.068 266 M CA 3.221 58.243 55.300 -0.464 0.000 1.109 266 M CB -0.905 31.589 32.600 -0.177 0.000 1.342 266 M HN -0.500 7.300 8.290 -0.797 0.012 0.405 267 V N -0.191 119.412 119.914 -0.519 0.000 2.407 267 V HA -0.481 nan 4.120 nan 0.000 0.248 267 V C 2.164 178.118 176.094 -0.233 0.000 1.055 267 V CA 4.294 66.347 62.300 -0.412 0.000 1.049 267 V CB -1.208 30.327 31.823 -0.480 0.000 0.662 267 V HN -0.080 7.655 8.190 -0.606 0.091 0.455 268 R N -0.471 119.826 120.500 -0.338 0.000 2.103 268 R HA -0.399 nan 4.340 nan 0.000 0.234 268 R C 2.047 178.248 176.300 -0.165 0.000 1.132 268 R CA 3.956 59.883 56.100 -0.289 0.000 0.925 268 R CB -0.103 29.952 30.300 -0.409 0.000 0.842 268 R HN 0.303 8.193 8.270 -0.454 0.107 0.430 269 W N -2.630 118.571 121.300 -0.165 0.000 2.290 269 W HA -0.324 nan 4.660 nan 0.000 0.311 269 W C 2.397 178.871 176.519 -0.075 0.000 1.238 269 W CA 2.290 59.544 57.345 -0.151 0.000 1.255 269 W CB -1.104 28.329 29.460 -0.045 0.000 1.145 269 W HN 0.064 7.901 8.180 -0.570 0.000 0.506 270 R N -1.401 119.223 120.500 0.208 0.000 2.070 270 R HA -0.463 nan 4.340 nan 0.000 0.233 270 R C 2.109 178.437 176.300 0.048 0.000 1.137 270 R CA 3.727 59.911 56.100 0.140 0.000 0.945 270 R CB -0.240 30.194 30.300 0.222 0.000 0.845 270 R HN -0.561 7.819 8.270 0.197 0.008 0.430 271 E N -1.785 118.425 120.200 0.017 0.000 2.110 271 E HA -0.286 nan 4.350 nan 0.000 0.193 271 E C 2.889 179.479 176.600 -0.016 0.000 0.988 271 E CA 2.354 58.749 56.400 -0.009 0.000 0.804 271 E CB -0.940 28.746 29.700 -0.024 0.000 0.745 271 E HN -0.539 7.828 8.360 0.011 0.000 0.458 272 R N -1.091 119.380 120.500 -0.050 0.000 2.120 272 R HA -0.250 nan 4.340 nan 0.000 0.234 272 R C 3.037 179.378 176.300 0.069 0.000 1.123 272 R CA 2.965 59.003 56.100 -0.102 0.000 0.975 272 R CB -0.120 29.867 30.300 -0.522 0.000 0.866 272 R HN 0.007 8.241 8.270 -0.061 0.000 0.446 273 I N 0.142 120.772 120.570 0.102 0.000 2.235 273 I HA -0.392 nan 4.170 nan 0.000 0.241 273 I C 1.429 177.518 176.117 -0.046 0.000 1.085 273 I CA 3.738 65.098 61.300 0.100 0.000 1.378 273 I CB 0.102 38.109 38.000 0.011 0.000 1.076 273 I HN -0.049 8.083 8.210 0.062 0.115 0.415 274 L N -1.144 120.040 121.223 -0.065 0.000 2.083 274 L HA -0.482 nan 4.340 nan 0.000 0.209 274 L C 2.146 178.950 176.870 -0.109 0.000 1.083 274 L CA 3.276 58.053 54.840 -0.105 0.000 0.752 274 L CB -0.857 41.160 42.059 -0.070 0.000 0.899 274 L HN 0.151 8.361 8.230 -0.033 0.000 0.433 275 D N -0.778 119.581 120.400 -0.067 0.000 2.117 275 D HA -0.298 nan 4.640 nan 0.000 0.197 275 D C 1.530 177.747 176.300 -0.139 0.000 0.987 275 D CA 3.710 57.667 54.000 -0.072 0.000 0.829 275 D CB -0.164 40.621 40.800 -0.024 0.000 0.961 275 D HN -0.092 8.248 8.370 -0.038 0.008 0.460 276 A N -1.054 121.688 122.820 -0.131 0.000 2.015 276 A HA -0.165 nan 4.320 nan 0.000 0.219 276 A C 2.282 179.658 177.584 -0.347 0.000 1.163 276 A CA 2.691 54.580 52.037 -0.247 0.000 0.646 276 A CB -0.766 18.192 19.000 -0.069 0.000 0.806 276 A HN -0.744 7.284 8.150 -0.048 0.094 0.448 277 I N -1.979 118.386 120.570 -0.342 0.000 2.142 277 I HA -0.545 nan 4.170 nan 0.000 0.240 277 I C 1.789 177.541 176.117 -0.608 0.000 1.078 277 I CA 3.942 64.964 61.300 -0.464 0.000 1.343 277 I CB -0.398 37.385 38.000 -0.360 0.000 1.046 277 I HN 0.022 8.072 8.210 -0.266 0.000 0.405 278 N N -1.138 117.352 118.700 -0.350 0.000 2.104 278 N HA -0.225 nan 4.740 nan 0.000 0.190 278 N C 2.280 177.743 175.510 -0.078 0.000 1.024 278 N CA 2.834 55.765 53.050 -0.200 0.000 0.853 278 N CB 0.017 38.454 38.487 -0.083 0.000 1.008 278 N HN -0.585 7.640 8.380 -0.259 0.000 0.424 279 M N -1.954 117.551 119.600 -0.159 0.000 2.394 279 M HA -0.211 nan 4.480 nan 0.000 0.264 279 M C -0.482 175.825 176.300 0.012 0.000 1.073 279 M CA 2.487 57.719 55.300 -0.113 0.000 1.111 279 M CB 0.229 32.551 32.600 -0.462 0.000 1.401 279 M HN 0.416 8.462 8.290 -0.226 0.109 0.448 280 H N -6.955 112.049 119.070 -0.111 0.000 2.936 280 H HA -0.386 nan 4.556 nan 0.000 0.276 280 H C -1.535 173.861 175.328 0.113 0.000 1.216 280 H CA 1.348 57.417 56.048 0.035 0.000 1.132 280 H CB -3.087 26.761 29.762 0.143 0.000 1.303 280 H HN -0.235 7.534 8.280 -0.434 0.251 0.370 281 Y N -6.599 113.741 120.300 0.068 0.000 2.670 281 Y HA 0.850 nan 4.550 nan 0.000 0.334 281 Y C -2.527 173.398 175.900 0.041 0.000 1.185 281 Y CA -2.263 55.874 58.100 0.062 0.000 1.053 281 Y CB 3.167 41.675 38.460 0.081 0.000 1.298 281 Y HN -0.439 7.608 8.280 -0.390 0.000 0.459 282 I N -4.182 116.594 120.570 0.344 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.501 174.808 176.117 0.320 0.000 1.078 282 I CA -1.726 59.746 61.300 0.286 0.000 1.048 282 I CB 3.834 41.863 38.000 0.048 0.000 1.239 282 I HN 0.152 8.565 8.210 0.340 0.000 0.421 283 V N -1.794 118.328 119.914 0.347 0.000 2.348 283 V HA 0.424 nan 4.120 nan 0.000 0.270 283 V C -0.138 176.074 176.094 0.196 0.000 1.037 283 V CA -2.484 59.928 62.300 0.186 0.000 0.872 283 V CB -0.853 30.994 31.823 0.040 0.000 1.002 283 V HN -0.211 8.270 8.190 0.485 0.000 0.464 284 D N 7.816 128.292 120.400 0.126 0.000 2.398 284 D HA 0.170 nan 4.640 nan 0.000 0.247 284 D C 1.348 177.693 176.300 0.075 0.000 1.227 284 D CA -0.894 53.173 54.000 0.112 0.000 0.980 284 D CB 0.939 41.781 40.800 0.071 0.000 1.106 284 D HN -0.454 7.976 8.370 0.099 0.000 0.493 285 K N -0.259 120.183 120.400 0.070 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.090 176.704 176.600 0.024 0.000 1.040 285 K CA 2.353 58.667 56.287 0.046 0.000 0.950 285 K CB -0.717 31.813 32.500 0.050 0.000 0.781 285 K HN 0.511 8.811 8.250 0.083 0.000 0.486 286 D N -5.480 114.931 120.400 0.018 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.162 176.134 176.300 -0.007 0.000 1.065 286 D CA -0.670 53.333 54.000 0.005 0.000 0.848 286 D CB -0.339 40.464 40.800 0.005 0.000 0.949 286 D HN -0.534 7.777 8.370 0.026 0.074 0.509 287 N N -3.571 115.122 118.700 -0.011 0.000 2.994 287 N HA -0.414 nan 4.740 nan 0.000 0.221 287 N C -1.158 174.335 175.510 -0.028 0.000 0.900 287 N CA 1.519 54.550 53.050 -0.032 0.000 1.008 287 N CB -1.580 36.882 38.487 -0.043 0.000 1.053 287 N HN 0.430 8.692 8.380 0.001 0.118 0.580 288 N N 1.886 120.577 118.700 -0.016 0.000 2.488 288 N HA 0.044 nan 4.740 nan 0.000 0.274 288 N C -0.941 174.557 175.510 -0.021 0.000 1.111 288 N CA 0.427 53.460 53.050 -0.028 0.000 0.974 288 N CB 1.047 39.521 38.487 -0.021 0.000 1.089 288 N HN -0.457 8.183 8.380 -0.003 -0.262 0.465 289 K N 2.628 122.982 120.400 -0.077 0.000 2.315 289 K HA 0.196 nan 4.320 nan 0.000 0.291 289 K C -0.246 176.338 176.600 -0.027 0.000 1.074 289 K CA -0.262 55.966 56.287 -0.098 0.000 0.936 289 K CB -0.534 31.716 32.500 -0.416 0.000 1.049 289 K HN 0.178 8.364 8.250 -0.107 0.000 0.471 290 I N 0.840 121.442 120.570 0.053 0.000 2.488 290 I HA 0.548 nan 4.170 nan 0.000 0.299 290 I C -2.041 174.145 176.117 0.115 0.000 0.984 290 I CA -3.335 57.999 61.300 0.057 0.000 1.250 290 I CB 0.989 39.013 38.000 0.040 0.000 1.389 290 I HN 0.289 8.550 8.210 0.085 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.706 176.720 177.300 0.210 0.000 1.216 291 P CA -0.186 63.021 63.100 0.179 0.000 0.771 291 P CB 0.119 31.907 31.700 0.146 0.000 0.864 292 L N 5.617 126.994 121.223 0.256 0.000 2.391 292 L HA -0.054 nan 4.340 nan 0.000 0.249 292 L C -0.554 176.600 176.870 0.473 0.000 1.308 292 L CA -0.848 54.179 54.840 0.311 0.000 1.209 292 L CB -1.356 40.782 42.059 0.132 0.000 1.401 292 L HN 0.275 8.586 8.230 0.285 0.089 0.416 293 D N 3.141 123.749 120.400 0.348 0.000 2.354 293 D HA -0.105 nan 4.640 nan 0.000 0.238 293 D C 0.987 177.357 176.300 0.117 0.000 1.250 293 D CA 0.167 54.309 54.000 0.238 0.000 0.911 293 D CB 2.091 43.035 40.800 0.240 0.000 1.163 293 D HN -0.340 8.140 8.370 0.302 0.071 0.456 294 I N 0.401 120.825 120.570 -0.243 0.000 2.113 294 I HA -0.460 nan 4.170 nan 0.000 0.238 294 I C 1.671 177.456 176.117 -0.554 0.000 1.070 294 I CA 3.617 64.371 61.300 -0.910 0.000 1.332 294 I CB 0.097 37.669 38.000 -0.714 0.000 1.044 294 I HN 0.104 8.234 8.210 -0.135 0.000 0.402 295 E N -1.921 118.077 120.200 -0.336 0.000 2.001 295 E HA -0.368 nan 4.350 nan 0.000 0.195 295 E C 2.878 179.307 176.600 -0.286 0.000 1.002 295 E CA 2.993 59.185 56.400 -0.347 0.000 0.819 295 E CB -0.131 29.255 29.700 -0.523 0.000 0.769 295 E HN -0.499 7.948 8.360 -0.271 -0.250 0.454 296 H N -0.938 118.155 119.070 0.038 0.000 2.387 296 H HA -0.229 nan 4.556 nan 0.000 0.299 296 H C 2.538 177.956 175.328 0.151 0.000 1.099 296 H CA 3.098 59.195 56.048 0.082 0.000 1.315 296 H CB -0.340 29.465 29.762 0.073 0.000 1.380 296 H HN -0.090 8.267 8.280 -0.439 -0.341 0.513 297 G N -1.946 107.043 108.800 0.316 0.000 2.545 297 G HA2 -0.471 nan 3.960 nan 0.000 0.222 297 G HA3 -0.471 nan 3.960 nan 0.000 0.222 297 G C 0.817 175.957 174.900 0.400 0.000 1.126 297 G CA 2.497 47.885 45.100 0.480 0.000 0.754 297 G HN -0.213 8.201 8.290 0.266 0.036 0.583 298 T N 2.154 116.902 114.554 0.323 0.000 3.035 298 T HA -0.072 nan 4.350 nan 0.000 0.259 298 T C 1.777 176.616 174.700 0.230 0.000 1.078 298 T CA 3.749 66.017 62.100 0.279 0.000 1.132 298 T CB -0.294 68.680 68.868 0.177 0.000 0.900 298 T HN -0.720 7.617 8.240 0.248 0.052 0.480 299 D N 2.838 123.344 120.400 0.177 0.000 2.123 299 D HA -0.085 nan 4.640 nan 0.000 0.200 299 D C 1.305 177.700 176.300 0.157 0.000 0.976 299 D CA 2.913 57.006 54.000 0.154 0.000 0.831 299 D CB 0.023 40.896 40.800 0.122 0.000 0.974 299 D HN -0.076 8.392 8.370 0.163 0.000 0.469 300 I N -4.016 116.644 120.570 0.151 0.000 2.928 300 I HA -0.054 nan 4.170 nan 0.000 0.266 300 I C 1.615 177.752 176.117 0.034 0.000 1.234 300 I CA 2.679 64.035 61.300 0.093 0.000 1.483 300 I CB -0.011 38.042 38.000 0.089 0.000 1.097 300 I HN -0.394 7.923 8.210 0.178 0.000 0.455 301 L N 0.849 122.120 121.223 0.080 0.000 2.162 301 L HA 0.004 nan 4.340 nan 0.000 0.205 301 L C 1.371 178.339 176.870 0.163 0.000 1.086 301 L CA 2.110 56.951 54.840 0.001 0.000 0.778 301 L CB -0.060 41.987 42.059 -0.021 0.000 0.928 301 L HN 0.253 8.477 8.230 0.158 0.101 0.446 302 G N -1.604 107.449 108.800 0.422 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.810 174.900 0.277 0.000 1.162 302 G CA 2.492 47.960 45.100 0.615 0.000 0.777 302 G HN -0.060 8.353 8.290 0.376 0.104 0.539 303 D N 0.872 121.348 120.400 0.127 0.000 2.097 303 D HA -0.324 nan 4.640 nan 0.000 0.195 303 D C 2.133 178.424 176.300 -0.016 0.000 0.989 303 D CA 2.818 56.827 54.000 0.015 0.000 0.827 303 D CB -0.719 40.102 40.800 0.035 0.000 0.966 303 D HN 0.162 8.623 8.370 0.152 0.000 0.456 304 I N -0.323 120.241 120.570 -0.010 0.000 2.127 304 I HA -0.403 nan 4.170 nan 0.000 0.241 304 I C 1.649 177.750 176.117 -0.026 0.000 1.075 304 I CA 3.418 64.690 61.300 -0.047 0.000 1.334 304 I CB 0.081 37.966 38.000 -0.193 0.000 1.040 304 I HN -0.932 7.279 8.210 0.000 0.000 0.405 305 I N -2.015 118.548 120.570 -0.011 0.000 2.394 305 I HA -0.359 nan 4.170 nan 0.000 0.251 305 I C 1.159 177.352 176.117 0.127 0.000 1.136 305 I CA 1.816 63.141 61.300 0.043 0.000 1.425 305 I CB -0.228 37.752 38.000 -0.033 0.000 1.079 305 I HN -0.156 8.046 8.210 -0.013 0.000 0.425 306 E N -0.123 120.081 120.200 0.007 0.000 2.023 306 E HA -0.285 nan 4.350 nan 0.000 0.196 306 E C -0.049 176.580 176.600 0.049 0.000 1.003 306 E CA 3.393 59.712 56.400 -0.135 0.000 0.809 306 E CB 0.136 29.420 29.700 -0.694 0.000 0.755 306 E HN -0.422 7.888 8.360 -0.043 0.024 0.449 307 S N -3.733 111.958 115.700 -0.015 0.000 2.687 307 S HA 0.324 nan 4.470 nan 0.000 0.283 307 S C -0.255 174.316 174.600 -0.049 0.000 1.170 307 S CA -0.509 57.669 58.200 -0.037 0.000 1.008 307 S CB 1.732 64.922 63.200 -0.016 0.000 1.026 307 S HN -0.499 7.794 8.310 -0.027 0.000 0.541 308 S N 0.389 116.067 115.700 -0.037 0.000 2.738 308 S HA 0.225 nan 4.470 nan 0.000 0.284 308 S C 1.465 176.076 174.600 0.019 0.000 1.146 308 S CA -0.321 57.876 58.200 -0.006 0.000 0.997 308 S CB 1.798 65.000 63.200 0.003 0.000 1.081 308 S HN 0.410 8.607 8.310 -0.033 0.093 0.553 309 D N 3.411 123.828 120.400 0.028 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.029 177.345 176.300 0.028 0.000 0.990 309 D CA 3.147 57.161 54.000 0.024 0.000 0.839 309 D CB -0.080 40.720 40.800 0.000 0.000 0.948 309 D HN 0.552 8.941 8.370 0.032 0.000 0.460 310 E N -2.119 118.103 120.200 0.038 0.000 2.510 310 E HA -0.180 nan 4.350 nan 0.000 0.202 310 E C -0.389 176.234 176.600 0.039 0.000 1.072 310 E CA 0.808 57.234 56.400 0.043 0.000 0.883 310 E CB -0.363 29.372 29.700 0.059 0.000 0.818 310 E HN 0.172 8.561 8.360 0.048 0.000 0.548 311 S N -0.047 115.674 115.700 0.036 0.000 2.429 311 S HA -0.087 nan 4.470 nan 0.000 0.292 311 S C 0.076 174.719 174.600 0.072 0.000 1.183 311 S CA -0.151 58.075 58.200 0.044 0.000 1.088 311 S CB -0.001 63.224 63.200 0.041 0.000 1.018 311 S HN -0.637 7.481 8.310 0.032 0.211 0.511 312 K N 4.821 125.265 120.400 0.074 0.000 2.113 312 K HA -0.273 nan 4.320 nan 0.000 0.208 312 K C -0.616 176.076 176.600 0.153 0.000 1.047 312 K CA 2.474 58.818 56.287 0.094 0.000 0.928 312 K CB 0.140 32.687 32.500 0.079 0.000 0.716 312 K HN -0.133 8.147 8.250 0.049 0.000 0.446 313 N N -4.639 114.216 118.700 0.259 0.000 2.249 313 N HA 0.165 nan 4.740 nan 0.000 0.296 313 N C -0.260 175.397 175.510 0.244 0.000 1.051 313 N CA -1.076 52.139 53.050 0.275 0.000 0.815 313 N CB 2.319 41.004 38.487 0.330 0.000 1.487 313 N HN -0.462 8.093 8.380 0.292 0.000 0.475 314 V N -1.401 118.587 119.914 0.124 0.000 2.581 314 V HA 0.298 nan 4.120 nan 0.000 0.240 314 V C 1.207 177.295 176.094 -0.009 0.000 1.054 314 V CA 1.831 64.162 62.300 0.052 0.000 1.076 314 V CB 0.571 32.429 31.823 0.058 0.000 0.748 314 V HN 0.430 8.690 8.190 0.117 0.000 0.474 315 E N 1.551 121.784 120.200 0.055 0.000 2.107 315 E HA -0.360 nan 4.350 nan 0.000 0.191 315 E C 1.768 178.438 176.600 0.115 0.000 0.982 315 E CA 2.801 59.259 56.400 0.097 0.000 0.809 315 E CB -0.343 29.433 29.700 0.127 0.000 0.756 315 E HN -0.279 8.269 8.360 0.083 -0.138 0.459 316 Y N 0.768 121.009 120.300 -0.099 0.000 2.206 316 Y HA -0.311 nan 4.550 nan 0.000 0.292 316 Y C 2.120 177.781 175.900 -0.397 0.000 1.123 316 Y CA 4.414 62.367 58.100 -0.245 0.000 1.142 316 Y CB 0.672 38.870 38.460 -0.437 0.000 1.006 316 Y HN -0.325 8.289 8.280 0.117 -0.263 0.518 317 Y N -3.863 116.347 120.300 -0.151 0.000 2.462 317 Y HA -0.031 nan 4.550 nan 0.000 0.261 317 Y C -0.142 175.335 175.900 -0.705 0.000 1.146 317 Y CA 0.627 58.557 58.100 -0.285 0.000 1.283 317 Y CB 0.267 38.657 38.460 -0.115 0.000 1.090 317 Y HN -0.314 7.879 8.280 -0.146 0.000 0.526 318 G N 0.119 108.284 108.800 -1.058 0.000 2.553 318 G HA2 -0.359 nan 3.960 nan 0.000 0.242 318 G HA3 -0.359 nan 3.960 nan 0.000 0.242 318 G C -1.439 173.132 174.900 -0.549 0.000 1.277 318 G CA 0.012 44.086 45.100 -1.711 0.000 0.910 318 G HN -0.230 7.584 8.290 -0.632 0.096 0.576 319 S N 0.718 116.266 115.700 -0.253 0.000 2.327 319 S HA 0.201 nan 4.470 nan 0.000 0.203 319 S C 0.102 174.830 174.600 0.213 0.000 1.326 319 S CA -0.566 57.649 58.200 0.025 0.000 1.248 319 S CB 0.956 64.100 63.200 -0.093 0.000 1.199 319 S HN 0.179 8.314 8.310 -0.291 0.000 0.422 320 L N 6.367 127.738 121.223 0.246 0.000 2.081 320 L HA -0.411 nan 4.340 nan 0.000 0.212 320 L C 0.351 177.602 176.870 0.634 0.000 1.080 320 L CA 3.383 58.541 54.840 0.530 0.000 0.754 320 L CB -0.364 41.985 42.059 0.484 0.000 0.893 320 L HN -0.080 8.229 8.230 0.131 0.000 0.433 321 H N -0.396 118.934 119.070 0.433 0.000 2.253 321 H HA -0.439 nan 4.556 nan 0.000 0.296 321 H C 2.049 177.463 175.328 0.143 0.000 1.074 321 H CA 4.521 60.852 56.048 0.472 0.000 1.263 321 H CB -0.212 29.786 29.762 0.393 0.000 1.363 321 H HN 0.000 8.543 8.280 0.468 0.018 0.489 322 N N -0.256 118.181 118.700 -0.438 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.270 175.510 -0.694 0.000 1.030 322 N CA 2.666 55.220 53.050 -0.826 0.000 0.849 322 N CB -0.639 37.588 38.487 -0.434 0.000 1.012 322 N HN -0.408 7.969 8.380 -0.005 0.000 0.423 323 W N -0.914 120.273 121.300 -0.187 0.000 2.335 323 W HA -0.305 nan 4.660 nan 0.000 0.311 323 W C 1.892 178.284 176.519 -0.213 0.000 1.213 323 W CA 3.048 60.357 57.345 -0.059 0.000 1.274 323 W CB -0.096 29.489 29.460 0.208 0.000 1.148 323 W HN 0.350 8.491 8.180 -0.065 0.000 0.498 324 G N -3.370 105.307 108.800 -0.204 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.144 175.499 174.900 -0.908 0.000 1.136 324 G CA 2.161 46.690 45.100 -0.953 0.000 0.759 324 G HN 0.193 8.495 8.290 0.020 0.000 0.562 325 H N 1.602 120.107 119.070 -0.943 0.000 2.353 325 H HA -0.298 nan 4.556 nan 0.000 0.300 325 H C 2.396 177.495 175.328 -0.383 0.000 1.090 325 H CA 3.600 59.192 56.048 -0.760 0.000 1.327 325 H CB 0.243 29.268 29.762 -1.229 0.000 1.383 325 H HN -0.526 7.191 8.280 -0.721 0.130 0.508 326 V N -1.447 118.401 119.914 -0.109 0.000 2.220 326 V HA -0.490 nan 4.120 nan 0.000 0.246 326 V C 2.057 178.186 176.094 0.058 0.000 1.049 326 V CA 3.806 66.169 62.300 0.105 0.000 1.003 326 V CB -0.860 31.105 31.823 0.238 0.000 0.634 326 V HN -0.406 7.571 8.190 -0.206 0.090 0.444 327 M N -2.611 117.018 119.600 0.049 0.000 2.144 327 M HA -0.417 nan 4.480 nan 0.000 0.260 327 M C 2.203 178.493 176.300 -0.017 0.000 1.067 327 M CA 3.505 58.835 55.300 0.050 0.000 1.095 327 M CB -0.278 32.375 32.600 0.088 0.000 1.365 327 M HN -0.768 7.573 8.290 0.085 0.000 0.406 328 M N -3.136 116.365 119.600 -0.165 0.000 2.562 328 M HA -0.110 nan 4.480 nan 0.000 0.257 328 M C 0.710 176.956 176.300 -0.089 0.000 1.099 328 M CA 2.375 57.557 55.300 -0.197 0.000 1.099 328 M CB 0.324 32.679 32.600 -0.408 0.000 1.427 328 M HN -0.051 8.082 8.290 -0.262 0.000 0.489 329 A N -1.556 121.242 122.820 -0.036 0.000 2.070 329 A HA 0.119 nan 4.320 nan 0.000 0.202 329 A C 0.218 177.840 177.584 0.063 0.000 1.277 329 A CA 1.889 53.943 52.037 0.028 0.000 0.872 329 A CB 0.835 19.877 19.000 0.070 0.000 0.933 329 A HN 0.115 8.062 8.150 -0.034 0.183 0.475 330 N N -1.306 117.434 118.700 0.066 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.405 176.979 175.510 0.107 0.000 1.144 330 N CA -0.393 52.706 53.050 0.082 0.000 0.837 330 N CB -0.961 37.564 38.487 0.063 0.000 1.069 330 N HN 0.284 8.699 8.380 0.060 0.000 0.487 331 I N -1.474 119.162 120.570 0.110 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.262 176.503 176.117 0.206 0.000 1.257 331 I CA 1.692 63.090 61.300 0.163 0.000 1.465 331 I CB -0.135 37.953 38.000 0.146 0.000 1.091 331 I HN -0.174 7.961 8.210 0.084 0.126 0.467 332 T N -0.466 114.184 114.554 0.161 0.000 3.009 332 T HA -0.058 nan 4.350 nan 0.000 0.258 332 T C -0.960 173.848 174.700 0.181 0.000 1.063 332 T CA 1.218 63.427 62.100 0.183 0.000 1.139 332 T CB 0.687 69.632 68.868 0.129 0.000 0.890 332 T HN 0.032 8.296 8.240 0.132 0.055 0.471 333 D N -1.497 119.001 120.400 0.163 0.000 3.117 333 D HA 0.435 nan 4.640 nan 0.000 0.241 333 D C -2.139 174.266 176.300 0.176 0.000 1.385 333 D CA -1.467 52.656 54.000 0.205 0.000 0.855 333 D CB 0.754 41.764 40.800 0.351 0.000 1.498 333 D HN -0.297 7.972 8.370 0.134 0.180 0.584 334 P HA -0.140 nan 4.420 nan 0.000 0.215 334 P C 0.879 178.251 177.300 0.120 0.000 1.157 334 P CA 1.786 64.952 63.100 0.111 0.000 0.856 334 P CB 0.132 31.896 31.700 0.108 0.000 0.786 335 D N -1.992 118.446 120.400 0.064 0.000 2.158 335 D HA -0.268 nan 4.640 nan 0.000 0.197 335 D C 0.562 176.894 176.300 0.054 0.000 0.995 335 D CA 2.105 56.119 54.000 0.023 0.000 0.846 335 D CB -0.132 40.627 40.800 -0.068 0.000 0.941 335 D HN 0.168 8.557 8.370 0.032 0.000 0.456 336 H N -4.140 114.892 119.070 -0.064 0.000 3.415 336 H HA -0.338 nan 4.556 nan 0.000 0.213 336 H C 0.578 175.866 175.328 -0.067 0.000 1.091 336 H CA 1.101 57.130 56.048 -0.032 0.000 1.182 336 H CB -1.082 28.680 29.762 -0.001 0.000 1.160 336 H HN -0.310 8.207 8.280 0.074 -0.193 0.319 337 R N -1.416 118.917 120.500 -0.277 0.000 2.133 337 R HA -0.329 nan 4.340 nan 0.000 0.247 337 R C 0.421 176.556 176.300 -0.276 0.000 1.151 337 R CA 2.881 58.783 56.100 -0.330 0.000 0.971 337 R CB -1.077 28.945 30.300 -0.464 0.000 0.866 337 R HN -0.339 7.829 8.270 -0.232 -0.037 0.447 338 F N -3.751 116.088 119.950 -0.185 0.000 2.512 338 F HA 0.002 nan 4.527 nan 0.000 0.296 338 F C -0.453 175.217 175.800 -0.218 0.000 1.110 338 F CA -0.497 57.413 58.000 -0.149 0.000 1.446 338 F CB -0.106 38.848 39.000 -0.077 0.000 1.092 338 F HN -0.496 7.840 8.300 -0.318 -0.227 0.554 339 Q N -5.559 114.052 119.800 -0.315 0.000 2.489 339 Q HA -0.355 nan 4.340 nan 0.000 0.259 339 Q C -0.585 175.420 176.000 0.009 0.000 0.934 339 Q CA 0.857 56.460 55.803 -0.333 0.000 1.131 339 Q CB -2.486 26.165 28.738 -0.146 0.000 1.472 339 Q HN -0.481 7.422 8.270 -0.614 -0.002 0.560 340 E N -0.359 119.907 120.200 0.109 0.000 2.465 340 E HA -0.157 nan 4.350 nan 0.000 0.260 340 E C -0.762 175.941 176.600 0.171 0.000 0.980 340 E CA 0.413 56.888 56.400 0.124 0.000 0.927 340 E CB 0.586 30.360 29.700 0.123 0.000 0.934 340 E HN -0.452 7.946 8.360 0.126 0.037 0.459 341 N N 5.364 124.095 118.700 0.052 0.000 2.434 341 N HA 0.132 nan 4.740 nan 0.000 0.268 341 N C -2.001 173.517 175.510 0.013 0.000 1.256 341 N CA -1.554 51.478 53.050 -0.030 0.000 0.914 341 N CB -0.499 37.861 38.487 -0.212 0.000 1.088 341 N HN 0.172 8.561 8.380 0.014 0.000 0.478 342 P HA -0.068 nan 4.420 nan 0.000 0.271 342 P C -0.414 177.003 177.300 0.194 0.000 1.238 342 P CA -0.011 63.148 63.100 0.100 0.000 0.794 342 P CB 0.655 32.389 31.700 0.057 0.000 0.959 343 G N -1.051 107.842 108.800 0.155 0.000 2.432 343 G HA2 -0.096 nan 3.960 nan 0.000 0.239 343 G HA3 -0.096 nan 3.960 nan 0.000 0.239 343 G C 1.060 176.058 174.900 0.163 0.000 1.291 343 G CA -0.685 44.506 45.100 0.152 0.000 0.863 343 G HN 0.063 8.422 8.290 0.115 0.000 0.560 344 V N -1.557 118.407 119.914 0.083 0.000 3.099 344 V HA -0.427 nan 4.120 nan 0.000 0.269 344 V C 1.391 177.495 176.094 0.017 0.000 1.150 344 V CA 2.089 64.356 62.300 -0.056 0.000 1.165 344 V CB -0.839 30.846 31.823 -0.230 0.000 0.756 344 V HN 0.657 8.889 8.190 0.070 0.000 0.527 345 M N 1.169 120.819 119.600 0.083 0.000 2.562 345 M HA -0.130 nan 4.480 nan 0.000 0.257 345 M C 1.316 177.862 176.300 0.410 0.000 1.099 345 M CA 1.249 56.658 55.300 0.182 0.000 1.099 345 M CB -1.023 31.586 32.600 0.014 0.000 1.427 345 M HN -0.154 8.078 8.290 0.074 0.103 0.489 346 S N -0.120 115.765 115.700 0.308 0.000 2.481 346 S HA -0.220 nan 4.470 nan 0.000 0.231 346 S C -0.814 173.865 174.600 0.133 0.000 0.996 346 S CA 3.106 61.491 58.200 0.309 0.000 0.942 346 S CB -0.048 63.223 63.200 0.118 0.000 0.768 346 S HN -0.320 8.061 8.310 0.215 0.057 0.520 347 D N -2.387 118.133 120.400 0.201 0.000 2.490 347 D HA 0.175 nan 4.640 nan 0.000 0.232 347 D C -0.273 176.209 176.300 0.304 0.000 1.053 347 D CA -0.960 53.144 54.000 0.172 0.000 0.914 347 D CB 2.597 43.509 40.800 0.186 0.000 1.431 347 D HN -0.979 7.473 8.370 0.238 0.060 0.483 348 T N 0.942 115.736 114.554 0.399 0.000 3.035 348 T HA 0.066 nan 4.350 nan 0.000 0.259 348 T C 1.695 176.706 174.700 0.518 0.000 1.078 348 T CA 2.285 64.727 62.100 0.570 0.000 1.132 348 T CB -0.451 68.741 68.868 0.541 0.000 0.900 348 T HN 0.509 8.991 8.240 0.403 0.000 0.480 349 S N 0.844 116.787 115.700 0.406 0.000 2.406 349 S HA -0.130 nan 4.470 nan 0.000 0.228 349 S C 1.404 175.844 174.600 -0.265 0.000 1.020 349 S CA 3.422 61.677 58.200 0.092 0.000 0.965 349 S CB 0.207 63.396 63.200 -0.018 0.000 0.798 349 S HN -0.288 8.756 8.310 0.514 -0.425 0.488 350 T N -1.235 113.182 114.554 -0.229 0.000 2.939 350 T HA 0.266 nan 4.350 nan 0.000 0.254 350 T C 2.103 176.578 174.700 -0.376 0.000 1.041 350 T CA 2.258 64.139 62.100 -0.365 0.000 1.142 350 T CB 0.328 68.958 68.868 -0.397 0.000 0.874 350 T HN -0.243 8.225 8.240 -0.079 -0.276 0.452 351 S N 4.009 119.533 115.700 -0.293 0.000 2.570 351 S HA -0.466 nan 4.470 nan 0.000 0.300 351 S C 1.401 175.383 174.600 -1.029 0.000 1.224 351 S CA 3.057 60.982 58.200 -0.459 0.000 1.103 351 S CB -1.185 61.914 63.200 -0.168 0.000 1.009 351 S HN -0.045 8.191 8.310 -0.123 0.000 0.458 352 L N -1.633 118.928 121.223 -1.104 0.000 2.567 352 L HA 0.055 nan 4.340 nan 0.000 0.225 352 L C 0.747 177.258 176.870 -0.600 0.000 1.119 352 L CA 1.057 55.150 54.840 -1.245 0.000 0.871 352 L CB -0.249 41.230 42.059 -0.966 0.000 1.036 352 L HN -0.680 7.020 8.230 -0.801 0.049 0.459 353 R N -2.083 118.145 120.500 -0.453 0.000 2.062 353 R HA -0.211 nan 4.340 nan 0.000 0.229 353 R C 0.137 176.089 176.300 -0.580 0.000 1.128 353 R CA 1.844 57.760 56.100 -0.306 0.000 0.960 353 R CB -0.231 30.017 30.300 -0.086 0.000 0.855 353 R HN -0.899 7.037 8.270 -0.479 0.047 0.432 354 D N 1.123 121.149 120.400 -0.623 0.000 2.382 354 D HA 0.205 nan 4.640 nan 0.000 0.259 354 D C -0.769 175.312 176.300 -0.364 0.000 1.224 354 D CA -2.562 51.008 54.000 -0.716 0.000 0.894 354 D CB 0.338 40.977 40.800 -0.268 0.000 1.127 354 D HN -0.553 7.551 8.370 -0.443 0.000 0.487 355 P HA -0.186 nan 4.420 nan 0.000 0.217 355 P C 0.777 178.147 177.300 0.116 0.000 1.148 355 P CA 2.194 65.306 63.100 0.019 0.000 0.828 355 P CB -0.010 31.702 31.700 0.021 0.000 0.783 356 I N -5.308 115.274 120.570 0.020 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.006 177.110 176.117 -0.021 0.000 1.184 356 I CA 2.329 63.639 61.300 0.016 0.000 1.451 356 I CB -0.744 37.228 38.000 -0.046 0.000 1.089 356 I HN -0.858 7.307 8.210 -0.037 0.022 0.441 357 F N 2.236 122.002 119.950 -0.307 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.644 176.066 175.800 -0.630 0.000 1.096 357 F CA 4.567 62.220 58.000 -0.579 0.000 1.227 357 F CB 0.035 38.493 39.000 -0.904 0.000 0.983 357 F HN -0.380 7.776 8.300 -0.030 0.126 0.482 358 Y N -5.273 114.917 120.300 -0.182 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.891 177.805 175.900 0.024 0.000 1.123 358 Y CA 3.038 61.039 58.100 -0.165 0.000 1.227 358 Y CB -0.628 37.739 38.460 -0.155 0.000 1.012 358 Y HN -0.690 7.504 8.280 -0.119 0.015 0.552 359 R N 0.835 121.449 120.500 0.191 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.177 178.623 176.300 0.243 0.000 1.134 359 R CA 3.642 59.873 56.100 0.218 0.000 0.952 359 R CB -0.389 30.036 30.300 0.208 0.000 0.850 359 R HN -0.346 7.860 8.270 0.148 0.153 0.433 360 W N -1.573 119.755 121.300 0.047 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.772 177.444 176.519 0.255 0.000 1.231 360 W CA 3.640 61.066 57.345 0.136 0.000 1.248 360 W CB 0.216 29.648 29.460 -0.047 0.000 1.117 360 W HN -0.265 8.053 8.180 0.229 0.000 0.568 361 H N -1.754 117.307 119.070 -0.015 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.889 178.236 175.328 0.031 0.000 0.984 361 H CA 2.862 58.884 56.048 -0.043 0.000 1.264 361 H CB 0.100 29.741 29.762 -0.203 0.000 1.432 361 H HN -0.583 7.683 8.280 0.295 0.191 0.549 362 R N -0.015 120.605 120.500 0.201 0.000 2.115 362 R HA -0.187 nan 4.340 nan 0.000 0.226 362 R C 1.688 178.061 176.300 0.122 0.000 1.100 362 R CA 1.857 58.058 56.100 0.168 0.000 0.980 362 R CB -0.883 29.525 30.300 0.181 0.000 0.875 362 R HN 0.266 8.669 8.270 0.222 0.000 0.445 363 F N 1.888 121.761 119.950 -0.129 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.582 177.200 175.800 -0.303 0.000 1.122 363 F CA 2.739 60.567 58.000 -0.286 0.000 1.201 363 F CB -0.190 38.466 39.000 -0.573 0.000 0.978 363 F HN -0.793 7.463 8.300 0.148 0.133 0.472 364 I N -4.736 115.528 120.570 -0.510 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.317 177.360 176.117 -0.124 0.000 1.097 364 I CA 3.695 64.727 61.300 -0.447 0.000 1.363 364 I CB -0.739 37.148 38.000 -0.188 0.000 1.051 364 I HN -0.075 7.861 8.210 -0.456 0.000 0.413 365 D N 0.205 120.667 120.400 0.104 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.064 178.439 176.300 0.126 0.000 0.990 365 D CA 3.713 57.888 54.000 0.292 0.000 0.839 365 D CB -0.146 40.805 40.800 0.253 0.000 0.948 365 D HN -0.428 7.972 8.370 0.050 0.000 0.460 366 N N -0.953 117.740 118.700 -0.012 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.015 175.510 -0.153 0.000 1.019 366 N CA 3.179 56.203 53.050 -0.044 0.000 0.856 366 N CB -0.118 38.374 38.487 0.009 0.000 0.993 366 N HN 0.059 8.184 8.380 -0.044 0.229 0.426 367 I N 0.353 120.726 120.570 -0.329 0.000 2.163 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.641 177.543 176.117 -0.358 0.000 1.081 367 I CA 4.219 65.268 61.300 -0.418 0.000 1.353 367 I CB -0.167 37.451 38.000 -0.636 0.000 1.054 367 I HN -0.569 7.283 8.210 -0.413 0.110 0.407 368 F N -1.258 118.522 119.950 -0.285 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.290 177.840 175.800 -0.417 0.000 1.089 368 F CA 4.067 61.812 58.000 -0.425 0.000 1.282 368 F CB -0.984 37.569 39.000 -0.744 0.000 1.010 368 F HN -0.356 7.739 8.300 -0.340 0.000 0.485 369 Q N -2.258 117.492 119.800 -0.084 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.879 178.804 176.000 -0.125 0.000 0.977 369 Q CA 3.192 58.951 55.803 -0.073 0.000 0.850 369 Q CB -0.829 27.911 28.738 0.004 0.000 0.901 369 Q HN 0.633 8.772 8.270 -0.016 0.122 0.429 370 E N -0.025 120.090 120.200 -0.142 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.786 176.600 -0.220 0.000 0.988 370 E CA 3.025 59.328 56.400 -0.161 0.000 0.804 370 E CB -0.292 29.312 29.700 -0.159 0.000 0.745 370 E HN -0.171 8.012 8.360 -0.143 0.092 0.458 371 H N 0.536 119.376 119.070 -0.382 0.000 2.357 371 H HA -0.169 nan 4.556 nan 0.000 0.301 371 H C 2.432 177.185 175.328 -0.959 0.000 1.082 371 H CA 2.734 58.441 56.048 -0.568 0.000 1.342 371 H CB 0.057 29.559 29.762 -0.432 0.000 1.389 371 H HN -0.538 7.537 8.280 -0.162 0.108 0.511 372 K N -1.990 117.998 120.400 -0.686 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.528 178.904 176.600 -0.374 0.000 1.049 372 K CA 2.073 58.057 56.287 -0.505 0.000 0.933 372 K CB -0.531 31.880 32.500 -0.147 0.000 0.717 372 K HN -0.071 7.937 8.250 -0.403 0.000 0.442 373 K N -1.714 118.513 120.400 -0.287 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.324 178.794 176.600 -0.217 0.000 1.049 373 K CA 2.434 58.605 56.287 -0.193 0.000 0.933 373 K CB 0.202 32.620 32.500 -0.137 0.000 0.717 373 K HN -0.102 7.797 8.250 -0.271 0.188 0.442 374 S N -2.144 113.388 115.700 -0.279 0.000 2.453 374 S HA -0.141 nan 4.470 nan 0.000 0.231 374 S C 0.605 175.094 174.600 -0.184 0.000 1.005 374 S CA 1.986 60.083 58.200 -0.172 0.000 0.949 374 S CB 0.414 63.628 63.200 0.022 0.000 0.774 374 S HN -0.370 7.735 8.310 -0.343 0.000 0.510 375 F N 2.775 122.600 119.950 -0.210 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.024 175.575 175.800 -0.334 0.000 1.155 375 F CA -0.127 57.725 58.000 -0.246 0.000 1.302 375 F CB -0.075 38.809 39.000 -0.193 0.000 1.159 375 F HN -0.817 7.078 8.300 -0.675 0.000 0.595 376 H N 1.140 120.254 119.070 0.073 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.797 175.328 -0.163 0.000 1.128 376 H CA -0.990 55.038 56.048 -0.033 0.000 1.342 376 H CB -0.067 29.679 29.762 -0.026 0.000 1.470 376 H HN 0.239 8.631 8.280 0.188 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.255 175.943 177.300 -0.169 0.000 1.228 377 P CA 0.678 63.713 63.100 -0.108 0.000 0.797 377 P CB 0.430 32.153 31.700 0.039 0.000 0.914 378 Y N -0.538 119.845 120.300 0.139 0.000 2.327 378 Y HA -0.020 nan 4.550 nan 0.000 0.336 378 Y C 0.275 176.204 175.900 0.049 0.000 1.035 378 Y CA 0.355 58.510 58.100 0.091 0.000 1.165 378 Y CB 0.368 38.857 38.460 0.048 0.000 1.181 378 Y HN 0.238 8.615 8.280 0.161 0.000 0.494 379 T N 4.831 119.516 114.554 0.219 0.000 2.932 379 T HA 0.050 nan 4.350 nan 0.000 0.312 379 T C 1.078 175.815 174.700 0.061 0.000 1.071 379 T CA -0.040 62.126 62.100 0.111 0.000 1.128 379 T CB 0.546 69.464 68.868 0.084 0.000 0.984 379 T HN 0.309 8.706 8.240 0.261 0.000 0.549 380 K N 3.900 124.308 120.400 0.013 0.000 2.103 380 K HA -0.464 nan 4.320 nan 0.000 0.207 380 K C 2.146 178.732 176.600 -0.023 0.000 1.048 380 K CA 3.880 60.145 56.287 -0.037 0.000 0.930 380 K CB -0.112 32.373 32.500 -0.026 0.000 0.716 380 K HN 0.440 8.705 8.250 0.025 0.000 0.444 381 E N -0.216 119.987 120.200 0.006 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.252 178.864 176.600 0.019 0.000 1.025 381 E CA 3.256 59.664 56.400 0.014 0.000 0.835 381 E CB -0.501 29.212 29.700 0.022 0.000 0.764 381 E HN 0.095 8.461 8.360 0.014 0.003 0.457 382 E N -1.395 118.829 120.200 0.040 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.111 177.716 176.600 0.007 0.000 0.994 382 E CA 2.258 58.689 56.400 0.052 0.000 0.801 382 E CB -0.747 29.043 29.700 0.150 0.000 0.743 382 E HN 0.135 8.530 8.360 0.057 0.000 0.453 383 L N -4.855 116.331 121.223 -0.061 0.000 2.465 383 L HA -0.115 nan 4.340 nan 0.000 0.224 383 L C 0.009 176.823 176.870 -0.093 0.000 1.145 383 L CA 0.874 55.609 54.840 -0.175 0.000 0.834 383 L CB 0.248 42.104 42.059 -0.338 0.000 0.944 383 L HN -0.388 7.727 8.230 -0.038 0.093 0.451 384 S N -1.084 114.605 115.700 -0.019 0.000 2.420 384 S HA 0.091 nan 4.470 nan 0.000 0.313 384 S C -1.437 173.245 174.600 0.136 0.000 1.079 384 S CA -0.251 57.972 58.200 0.039 0.000 1.104 384 S CB 0.464 63.673 63.200 0.014 0.000 0.969 384 S HN -0.491 7.624 8.310 -0.012 0.188 0.471 385 F N 8.632 128.565 119.950 -0.028 0.000 2.487 385 F HA 0.185 nan 4.527 nan 0.000 0.364 385 F C -1.999 173.796 175.800 -0.008 0.000 1.126 385 F CA -3.338 54.655 58.000 -0.011 0.000 1.135 385 F CB 0.291 39.290 39.000 -0.002 0.000 1.127 385 F HN 0.242 8.982 8.300 0.240 -0.296 0.559 386 P HA -0.048 nan 4.420 nan 0.000 0.267 386 P C -0.279 176.891 177.300 -0.216 0.000 1.205 386 P CA 0.548 63.602 63.100 -0.078 0.000 0.765 386 P CB 0.136 31.814 31.700 -0.038 0.000 0.828 387 G N 2.627 111.333 108.800 -0.157 0.000 2.336 387 G HA2 -0.309 nan 3.960 nan 0.000 0.233 387 G HA3 -0.309 nan 3.960 nan 0.000 0.233 387 G C -0.990 173.798 174.900 -0.187 0.000 1.053 387 G CA 0.508 45.511 45.100 -0.162 0.000 0.625 387 G HN 0.158 8.390 8.290 -0.098 0.000 0.511 388 V N 2.866 122.603 119.914 -0.295 0.000 2.455 388 V HA 0.008 nan 4.120 nan 0.000 0.273 388 V C -1.058 174.992 176.094 -0.073 0.000 1.045 388 V CA -0.161 62.007 62.300 -0.219 0.000 0.976 388 V CB -0.218 31.367 31.823 -0.396 0.000 0.993 388 V HN -0.715 7.145 8.190 -0.417 0.079 0.475 389 E N 8.053 128.237 120.200 -0.027 0.000 2.129 389 E HA 0.253 nan 4.350 nan 0.000 0.268 389 E C -0.254 176.368 176.600 0.037 0.000 0.900 389 E CA -1.703 54.703 56.400 0.010 0.000 0.755 389 E CB 2.815 32.517 29.700 0.002 0.000 1.117 389 E HN 0.265 8.476 8.360 -0.035 0.128 0.410 390 V N 9.060 129.011 119.914 0.062 0.000 2.415 390 V HA -0.166 nan 4.120 nan 0.000 0.252 390 V C 0.064 176.195 176.094 0.061 0.000 1.043 390 V CA 1.708 64.053 62.300 0.075 0.000 1.149 390 V CB -1.857 30.026 31.823 0.101 0.000 1.143 390 V HN 0.749 8.980 8.190 0.068 0.000 0.478 391 V N 7.439 127.384 119.914 0.052 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.312 176.435 176.094 0.048 0.000 1.157 391 V CA 0.606 62.931 62.300 0.042 0.000 1.157 391 V CB -0.395 31.449 31.823 0.035 0.000 0.772 391 V HN 0.545 8.671 8.190 0.052 0.096 0.498 392 G N -3.388 105.450 108.800 0.063 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.098 171.857 174.900 0.091 0.000 1.367 392 G CA 0.170 45.312 45.100 0.070 0.000 0.951 392 G HN -0.700 7.604 8.290 0.069 0.028 0.615 393 V N -1.983 117.995 119.914 0.107 0.000 3.160 393 V HA 0.779 nan 4.120 nan 0.000 0.310 393 V C -1.422 174.745 176.094 0.121 0.000 1.181 393 V CA -2.239 60.147 62.300 0.143 0.000 1.047 393 V CB 3.540 35.490 31.823 0.212 0.000 1.068 393 V HN 0.200 8.447 8.190 0.094 0.000 0.441 394 S N -1.029 114.747 115.700 0.126 0.000 2.552 394 S HA 0.517 nan 4.470 nan 0.000 0.272 394 S C -2.196 172.455 174.600 0.086 0.000 1.150 394 S CA -0.428 57.829 58.200 0.095 0.000 0.849 394 S CB 4.091 67.328 63.200 0.063 0.000 1.113 394 S HN -0.147 8.250 8.310 0.144 0.000 0.458 395 I N -2.000 118.614 120.570 0.074 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.049 174.103 176.117 0.058 0.000 0.992 395 I CA -2.050 59.290 61.300 0.067 0.000 1.149 395 I CB 1.672 39.766 38.000 0.157 0.000 1.315 395 I HN 0.669 9.265 8.210 0.071 -0.344 0.446 396 N N 7.071 125.799 118.700 0.047 0.000 2.558 396 N HA 0.366 nan 4.740 nan 0.000 0.242 396 N C -0.728 174.822 175.510 0.066 0.000 0.979 396 N CA -0.270 52.805 53.050 0.040 0.000 0.931 396 N CB 0.886 39.386 38.487 0.020 0.000 1.122 396 N HN -0.142 8.251 8.380 0.021 0.000 0.508 397 S N 6.887 122.622 115.700 0.058 0.000 3.320 397 S HA 0.084 nan 4.470 nan 0.000 0.185 397 S C 0.157 174.774 174.600 0.028 0.000 1.028 397 S CA 1.030 59.265 58.200 0.059 0.000 1.641 397 S CB 0.749 63.956 63.200 0.011 0.000 0.630 397 S HN 0.441 8.772 8.310 0.035 0.000 0.555 398 K N 1.026 121.429 120.400 0.005 0.000 2.148 398 K HA -0.124 nan 4.320 nan 0.000 0.204 398 K C -0.577 176.020 176.600 -0.005 0.000 1.050 398 K CA 1.786 58.070 56.287 -0.006 0.000 0.942 398 K CB 0.491 32.978 32.500 -0.022 0.000 0.724 398 K HN -0.237 8.421 8.250 -0.003 -0.410 0.446 399 T N -0.762 113.790 114.554 -0.004 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.259 172.444 174.700 0.004 0.000 1.070 399 T CA -1.885 60.214 62.100 -0.002 0.000 1.010 399 T CB 3.280 72.143 68.868 -0.008 0.000 1.264 399 T HN -0.692 7.524 8.240 -0.007 0.019 0.532 400 A N -0.269 122.556 122.820 0.007 0.000 2.407 400 A HA 0.108 nan 4.320 nan 0.000 0.248 400 A C 0.139 177.729 177.584 0.010 0.000 1.082 400 A CA 0.462 52.508 52.037 0.014 0.000 0.785 400 A CB 0.019 19.029 19.000 0.016 0.000 1.020 400 A HN 0.111 8.264 8.150 0.006 0.000 0.489 401 N N -1.956 116.754 118.700 0.017 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.261 174.247 175.510 -0.004 0.000 1.119 401 N CA 1.413 54.472 53.050 0.015 0.000 0.718 401 N CB -1.586 36.917 38.487 0.027 0.000 1.060 401 N HN 0.083 8.479 8.380 0.027 0.000 0.552 402 V N -9.441 110.458 119.914 -0.025 0.000 2.769 402 V HA 0.806 nan 4.120 nan 0.000 0.312 402 V C -1.805 174.226 176.094 -0.106 0.000 1.061 402 V CA -2.818 59.453 62.300 -0.049 0.000 0.931 402 V CB 3.664 35.467 31.823 -0.035 0.000 1.010 402 V HN -0.843 7.268 8.190 -0.020 0.067 0.433 403 I N 2.953 123.421 120.570 -0.169 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.117 173.921 176.117 -0.132 0.000 1.025 403 I CA -2.105 59.060 61.300 -0.225 0.000 1.086 403 I CB 3.492 41.203 38.000 -0.482 0.000 1.268 403 I HN 0.623 8.632 8.210 -0.160 0.105 0.440 404 T N 7.450 121.953 114.554 -0.086 0.000 2.809 404 T HA 0.447 nan 4.350 nan 0.000 0.284 404 T C -1.245 173.450 174.700 -0.007 0.000 0.992 404 T CA -0.625 61.450 62.100 -0.042 0.000 0.957 404 T CB 1.575 70.415 68.868 -0.046 0.000 0.942 404 T HN 0.165 8.355 8.240 -0.083 0.000 0.439 405 T N 7.727 122.303 114.554 0.036 0.000 2.918 405 T HA 0.663 nan 4.350 nan 0.000 0.283 405 T C -1.761 172.975 174.700 0.059 0.000 1.001 405 T CA -1.931 60.236 62.100 0.112 0.000 1.041 405 T CB 1.097 70.084 68.868 0.198 0.000 1.028 405 T HN 0.625 8.888 8.240 0.040 0.000 0.511 406 L N 1.298 122.583 121.223 0.102 0.000 2.301 406 L HA 0.646 nan 4.340 nan 0.000 0.249 406 L C -1.471 175.501 176.870 0.170 0.000 1.069 406 L CA -1.294 53.554 54.840 0.013 0.000 0.865 406 L CB 3.795 45.859 42.059 0.008 0.000 1.467 406 L HN -0.288 7.947 8.230 0.188 0.108 0.419 407 I N -0.485 120.146 120.570 0.101 0.000 2.392 407 I HA 0.418 nan 4.170 nan 0.000 0.295 407 I C -1.804 174.308 176.117 -0.008 0.000 0.985 407 I CA -2.111 59.278 61.300 0.148 0.000 1.221 407 I CB 1.368 39.490 38.000 0.204 0.000 1.366 407 I HN 0.216 8.424 8.210 -0.003 0.000 0.467 408 K N 8.805 129.087 120.400 -0.197 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.325 174.958 176.600 -0.528 0.000 0.948 408 K CA -1.660 54.400 56.287 -0.378 0.000 0.827 408 K CB 2.591 34.801 32.500 -0.484 0.000 1.128 408 K HN 0.840 8.838 8.250 -0.240 0.108 0.429 409 E N 5.587 125.595 120.200 -0.320 0.000 2.398 409 E HA 0.112 nan 4.350 nan 0.000 0.263 409 E C -1.034 175.245 176.600 -0.534 0.000 1.046 409 E CA 0.378 56.496 56.400 -0.469 0.000 0.908 409 E CB 0.491 29.975 29.700 -0.359 0.000 0.963 409 E HN 0.404 8.653 8.360 -0.185 0.000 0.431 410 S N 1.778 117.034 115.700 -0.740 0.000 2.727 410 S HA 0.349 nan 4.470 nan 0.000 0.278 410 S C -2.064 172.093 174.600 -0.739 0.000 1.186 410 S CA -0.976 56.791 58.200 -0.721 0.000 0.836 410 S CB 2.046 64.770 63.200 -0.793 0.000 1.186 410 S HN 0.424 8.227 8.310 -0.845 0.000 0.499 411 L N -1.025 119.970 121.223 -0.381 0.000 2.309 411 L HA 0.554 nan 4.340 nan 0.000 0.261 411 L C -2.217 174.766 176.870 0.189 0.000 1.021 411 L CA -1.265 53.526 54.840 -0.081 0.000 0.823 411 L CB 3.265 45.295 42.059 -0.049 0.000 1.366 411 L HN 0.477 8.541 8.230 -0.276 0.000 0.423 412 L N -0.573 120.767 121.223 0.195 0.000 2.543 412 L HA 0.256 nan 4.340 nan 0.000 0.265 412 L C -2.504 174.432 176.870 0.109 0.000 0.945 412 L CA -0.261 54.676 54.840 0.162 0.000 0.869 412 L CB 3.987 46.146 42.059 0.167 0.000 1.294 412 L HN -0.074 8.242 8.230 0.144 0.000 0.405 413 E N 6.293 126.547 120.200 0.091 0.000 1.941 413 E HA 0.335 nan 4.350 nan 0.000 0.275 413 E C 0.796 177.501 176.600 0.175 0.000 1.113 413 E CA -0.818 55.663 56.400 0.135 0.000 0.878 413 E CB 0.141 29.946 29.700 0.175 0.000 1.070 413 E HN 0.461 8.856 8.360 0.059 0.000 0.399 414 L N 6.113 127.420 121.223 0.139 0.000 2.083 414 L HA -0.384 nan 4.340 nan 0.000 0.209 414 L C 1.449 178.419 176.870 0.166 0.000 1.083 414 L CA 3.025 57.949 54.840 0.140 0.000 0.752 414 L CB -0.349 41.785 42.059 0.124 0.000 0.899 414 L HN 0.928 9.229 8.230 0.119 0.000 0.433 415 S N -0.716 115.088 115.700 0.172 0.000 2.434 415 S HA -0.505 nan 4.470 nan 0.000 0.250 415 S C 2.142 176.823 174.600 0.135 0.000 1.102 415 S CA 3.089 61.419 58.200 0.217 0.000 1.104 415 S CB -0.469 62.715 63.200 -0.027 0.000 0.957 415 S HN -0.202 8.193 8.310 0.141 0.000 0.456 416 H N -0.186 118.930 119.070 0.076 0.000 2.326 416 H HA -0.172 nan 4.556 nan 0.000 0.301 416 H C 1.908 177.214 175.328 -0.038 0.000 1.081 416 H CA 2.991 59.027 56.048 -0.019 0.000 1.334 416 H CB 0.136 29.906 29.762 0.013 0.000 1.385 416 H HN -0.838 7.575 8.280 0.276 0.033 0.504 417 G N -2.893 105.973 108.800 0.109 0.000 2.404 417 G HA2 -0.138 nan 3.960 nan 0.000 0.214 417 G HA3 -0.138 nan 3.960 nan 0.000 0.214 417 G C -0.308 174.610 174.900 0.030 0.000 1.189 417 G CA 0.881 45.990 45.100 0.015 0.000 0.789 417 G HN -0.266 8.123 8.290 0.165 0.000 0.533 418 I N -3.627 116.996 120.570 0.089 0.000 3.076 418 I HA 0.443 nan 4.170 nan 0.000 0.313 418 I C -1.898 174.273 176.117 0.090 0.000 1.053 418 I CA -3.253 58.096 61.300 0.082 0.000 1.048 418 I CB 2.157 40.208 38.000 0.084 0.000 1.264 418 I HN -0.321 7.852 8.210 0.119 0.109 0.498 419 N N 1.587 120.288 118.700 0.001 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.028 175.410 175.510 -0.120 0.000 1.127 419 N CA -0.545 52.406 53.050 -0.165 0.000 0.945 419 N CB -0.664 37.679 38.487 -0.240 0.000 1.196 419 N HN -0.012 8.367 8.380 -0.001 0.000 0.499 420 F N 1.593 121.553 119.950 0.017 0.000 2.161 420 F HA -0.133 nan 4.527 nan 0.000 0.300 420 F C 1.412 177.203 175.800 -0.016 0.000 1.089 420 F CA 0.797 58.799 58.000 0.003 0.000 1.282 420 F CB -0.195 38.804 39.000 -0.002 0.000 1.010 420 F HN -0.335 7.836 8.300 -0.215 0.000 0.485 421 G N -0.503 108.081 108.800 -0.359 0.000 3.548 421 G HA2 -0.550 nan 3.960 nan 0.000 0.224 421 G HA3 -0.550 nan 3.960 nan 0.000 0.224 421 G C 0.392 175.322 174.900 0.049 0.000 1.351 421 G CA 1.536 46.514 45.100 -0.204 0.000 0.905 421 G HN -0.237 7.512 8.290 -1.073 -0.102 0.561 422 T N 0.642 115.324 114.554 0.214 0.000 3.348 422 T HA 0.126 nan 4.350 nan 0.000 0.233 422 T C 0.251 175.107 174.700 0.261 0.000 0.960 422 T CA 0.215 62.442 62.100 0.212 0.000 1.343 422 T CB 0.931 69.866 68.868 0.112 0.000 1.068 422 T HN 0.203 8.495 8.240 0.187 0.061 0.410 423 D N 2.264 122.775 120.400 0.186 0.000 2.352 423 D HA -0.150 nan 4.640 nan 0.000 0.238 423 D C 0.407 176.590 176.300 -0.195 0.000 1.286 423 D CA 0.232 54.245 54.000 0.022 0.000 0.923 423 D CB 0.534 41.352 40.800 0.029 0.000 1.146 423 D HN -0.347 8.153 8.370 0.217 0.000 0.471 424 Q N -1.354 118.324 119.800 -0.203 0.000 2.016 424 Q HA -0.135 nan 4.340 nan 0.000 0.200 424 Q C 0.700 176.456 176.000 -0.406 0.000 0.978 424 Q CA 2.522 58.135 55.803 -0.317 0.000 0.833 424 Q CB 0.837 29.471 28.738 -0.174 0.000 0.895 424 Q HN -0.043 8.158 8.270 -0.115 0.000 0.427 425 S N -4.981 110.591 115.700 -0.213 0.000 2.543 425 S HA 0.263 nan 4.470 nan 0.000 0.273 425 S C -2.594 171.985 174.600 -0.035 0.000 1.152 425 S CA -0.176 57.947 58.200 -0.128 0.000 0.910 425 S CB 2.391 65.543 63.200 -0.079 0.000 1.105 425 S HN -0.716 7.616 8.310 -0.144 -0.108 0.465 426 V N 1.619 121.545 119.914 0.020 0.000 2.409 426 V HA 0.771 nan 4.120 nan 0.000 0.291 426 V C -1.598 174.534 176.094 0.063 0.000 1.020 426 V CA -2.705 59.628 62.300 0.055 0.000 0.848 426 V CB 1.405 33.283 31.823 0.092 0.000 0.990 426 V HN 0.756 8.963 8.190 0.028 0.000 0.430 427 K N 4.878 125.308 120.400 0.051 0.000 2.270 427 K HA 0.732 nan 4.320 nan 0.000 0.255 427 K C -2.076 174.563 176.600 0.065 0.000 0.936 427 K CA -2.528 53.792 56.287 0.054 0.000 0.809 427 K CB 2.969 35.483 32.500 0.024 0.000 1.131 427 K HN 0.665 8.839 8.250 0.043 0.102 0.427 428 V N 4.135 124.107 119.914 0.097 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.504 174.662 176.094 0.119 0.000 1.030 428 V CA -2.428 59.945 62.300 0.121 0.000 0.844 428 V CB 0.689 32.607 31.823 0.158 0.000 1.015 428 V HN 0.069 8.326 8.190 0.112 0.000 0.460 429 K N 11.300 131.713 120.400 0.021 0.000 2.363 429 K HA 0.062 nan 4.320 nan 0.000 0.289 429 K C -1.010 175.523 176.600 -0.111 0.000 1.063 429 K CA 0.055 56.268 56.287 -0.122 0.000 0.967 429 K CB 0.043 32.466 32.500 -0.128 0.000 0.987 429 K HN 0.726 8.993 8.250 0.028 0.000 0.473 430 Y N 3.385 123.600 120.300 -0.143 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.122 173.593 175.900 -0.309 0.000 1.168 430 Y CA -3.051 54.982 58.100 -0.112 0.000 1.269 430 Y CB 2.441 40.923 38.460 0.036 0.000 1.388 430 Y HN 0.249 8.037 8.280 -0.644 0.106 0.528 431 H N -0.697 118.489 119.070 0.194 0.000 2.609 431 H HA 0.446 nan 4.556 nan 0.000 0.344 431 H C -1.255 174.209 175.328 0.227 0.000 1.040 431 H CA -1.266 54.823 56.048 0.068 0.000 1.216 431 H CB 2.883 32.688 29.762 0.073 0.000 1.529 431 H HN -0.117 8.424 8.280 0.435 0.000 0.519 432 H N 1.495 120.700 119.070 0.225 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.084 173.370 175.328 0.209 0.000 1.168 432 H CA -2.441 53.746 56.048 0.231 0.000 1.163 432 H CB 2.368 32.199 29.762 0.115 0.000 1.778 432 H HN 0.795 8.853 8.280 -0.175 0.117 0.551 433 L N 0.138 121.680 121.223 0.532 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.059 176.127 176.870 0.527 0.000 1.188 433 L CA 0.837 55.933 54.840 0.426 0.000 0.821 433 L CB 1.284 43.524 42.059 0.302 0.000 1.102 433 L HN 0.372 8.953 8.230 0.584 0.000 0.470 434 D N 0.986 121.609 120.400 0.372 0.000 3.158 434 D HA 0.298 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.269 176.300 0.204 0.000 1.308 434 D CA -1.993 52.175 54.000 0.280 0.000 1.001 434 D CB 2.825 43.732 40.800 0.179 0.000 1.389 434 D HN 0.369 8.934 8.370 0.327 0.000 0.595 435 H N -4.796 114.325 119.070 0.085 0.000 3.064 435 H HA 0.330 nan 4.556 nan 0.000 0.352 435 H C -1.685 173.608 175.328 -0.058 0.000 1.260 435 H CA -1.656 54.384 56.048 -0.013 0.000 1.160 435 H CB 2.774 32.500 29.762 -0.060 0.000 1.879 435 H HN -0.114 7.993 8.280 -0.289 0.000 0.544 436 E N 1.587 121.816 120.200 0.048 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.297 175.380 176.600 0.128 0.000 1.046 436 E CA -1.638 54.779 56.400 0.027 0.000 0.908 436 E CB 0.763 30.466 29.700 0.005 0.000 0.963 436 E HN 0.229 8.491 8.360 0.039 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.202 175.333 177.300 0.392 0.000 1.233 437 P CA 0.389 63.656 63.100 0.279 0.000 0.789 437 P CB 0.590 32.466 31.700 0.292 0.000 0.951 438 F N -5.861 114.125 119.950 0.060 0.000 2.807 438 F HA 0.368 nan 4.527 nan 0.000 0.316 438 F C -2.395 173.345 175.800 -0.101 0.000 1.162 438 F CA -2.315 55.654 58.000 -0.052 0.000 0.910 438 F CB 1.780 40.706 39.000 -0.123 0.000 1.314 438 F HN -0.288 8.221 8.300 0.348 0.000 0.454 439 T N -0.570 113.823 114.554 -0.269 0.000 2.916 439 T HA 0.622 nan 4.350 nan 0.000 0.292 439 T C -1.623 172.753 174.700 -0.541 0.000 1.055 439 T CA -1.580 60.265 62.100 -0.425 0.000 1.009 439 T CB 2.865 71.632 68.868 -0.169 0.000 1.118 439 T HN -0.157 8.058 8.240 -0.041 0.000 0.497 440 Y N 1.834 122.045 120.300 -0.148 0.000 2.313 440 Y HA 0.217 nan 4.550 nan 0.000 0.332 440 Y C -1.308 174.579 175.900 -0.022 0.000 1.071 440 Y CA -0.843 57.241 58.100 -0.027 0.000 1.169 440 Y CB 1.235 39.694 38.460 -0.003 0.000 1.192 440 Y HN 0.514 8.554 8.280 -0.225 0.106 0.487 441 N N 3.529 122.296 118.700 0.111 0.000 2.446 441 N HA 0.430 nan 4.740 nan 0.000 0.265 441 N C -2.211 173.365 175.510 0.110 0.000 0.975 441 N CA -0.805 52.291 53.050 0.077 0.000 0.928 441 N CB 2.516 41.029 38.487 0.044 0.000 1.160 441 N HN -0.089 8.357 8.380 0.110 0.000 0.495 442 I N 6.059 126.687 120.570 0.097 0.000 2.418 442 I HA 0.612 nan 4.170 nan 0.000 0.287 442 I C -2.554 173.604 176.117 0.069 0.000 1.008 442 I CA -1.944 59.417 61.300 0.101 0.000 1.104 442 I CB 2.998 41.071 38.000 0.121 0.000 1.264 442 I HN 0.469 8.719 8.210 0.067 0.000 0.438 443 V N 9.014 128.969 119.914 0.068 0.000 2.532 443 V HA 0.674 nan 4.120 nan 0.000 0.295 443 V C -1.554 174.575 176.094 0.059 0.000 1.041 443 V CA -1.613 60.721 62.300 0.057 0.000 0.926 443 V CB 1.318 33.170 31.823 0.048 0.000 0.992 443 V HN 0.807 8.932 8.190 0.076 0.110 0.457 444 V N 5.323 125.270 119.914 0.054 0.000 2.841 444 V HA 0.405 nan 4.120 nan 0.000 0.310 444 V C -2.042 174.070 176.094 0.030 0.000 1.090 444 V CA -1.216 61.114 62.300 0.050 0.000 0.930 444 V CB 4.333 36.197 31.823 0.068 0.000 1.014 444 V HN 0.887 9.020 8.190 0.052 0.088 0.425 445 E N 6.335 126.543 120.200 0.014 0.000 2.070 445 E HA 0.271 nan 4.350 nan 0.000 0.261 445 E C -1.355 175.231 176.600 -0.024 0.000 0.926 445 E CA -2.386 54.013 56.400 -0.001 0.000 0.760 445 E CB 1.197 30.896 29.700 -0.003 0.000 1.133 445 E HN 0.732 8.984 8.360 0.016 0.118 0.420 446 N N 8.235 126.919 118.700 -0.027 0.000 2.605 446 N HA 0.008 nan 4.740 nan 0.000 0.258 446 N C 0.720 176.195 175.510 -0.059 0.000 1.156 446 N CA -1.183 51.832 53.050 -0.060 0.000 1.008 446 N CB -0.301 38.155 38.487 -0.052 0.000 1.354 446 N HN 0.414 8.694 8.380 -0.010 0.094 0.509 447 N N 4.565 123.226 118.700 -0.064 0.000 2.137 447 N HA -0.371 nan 4.740 nan 0.000 0.190 447 N C 0.291 175.767 175.510 -0.057 0.000 1.017 447 N CA 2.504 55.522 53.050 -0.053 0.000 0.859 447 N CB -0.179 38.276 38.487 -0.054 0.000 1.002 447 N HN -0.188 8.121 8.380 -0.073 0.027 0.428 448 S N 0.668 116.320 115.700 -0.080 0.000 2.964 448 S HA -0.203 nan 4.470 nan 0.000 0.356 448 S C 0.964 175.528 174.600 -0.060 0.000 1.118 448 S CA 0.139 58.293 58.200 -0.078 0.000 1.581 448 S CB -1.370 61.768 63.200 -0.104 0.000 1.227 448 S HN -0.255 8.007 8.310 -0.103 -0.014 0.594 449 G N 2.009 110.782 108.800 -0.045 0.000 2.601 449 G HA2 -0.268 nan 3.960 nan 0.000 0.214 449 G HA3 -0.268 nan 3.960 nan 0.000 0.214 449 G C -1.027 173.852 174.900 -0.036 0.000 1.132 449 G CA 1.015 46.094 45.100 -0.035 0.000 0.761 449 G HN -0.410 7.813 8.290 -0.042 0.042 0.550 450 A N -0.924 121.870 122.820 -0.043 0.000 2.304 450 A HA 0.231 nan 4.320 nan 0.000 0.323 450 A C -0.665 176.876 177.584 -0.071 0.000 1.195 450 A CA -1.651 50.358 52.037 -0.046 0.000 0.826 450 A CB 1.383 20.363 19.000 -0.034 0.000 1.184 450 A HN -0.738 7.362 8.150 -0.046 0.022 0.496 451 E N 1.449 121.597 120.200 -0.085 0.000 2.900 451 E HA -0.308 nan 4.350 nan 0.000 0.259 451 E C -0.783 175.707 176.600 -0.183 0.000 0.918 451 E CA 0.829 57.149 56.400 -0.133 0.000 0.960 451 E CB 0.234 29.832 29.700 -0.169 0.000 0.908 451 E HN 0.251 8.570 8.360 -0.069 0.000 0.511 452 K N 4.881 125.195 120.400 -0.143 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.210 175.399 176.600 0.014 0.000 0.987 452 K CA -1.540 54.710 56.287 -0.063 0.000 0.865 452 K CB 1.781 34.250 32.500 -0.053 0.000 1.090 452 K HN 0.561 8.664 8.250 -0.105 0.085 0.450 453 H N 4.197 123.456 119.070 0.315 0.000 2.552 453 H HA 0.479 nan 4.556 nan 0.000 0.311 453 H C -0.301 175.312 175.328 0.475 0.000 1.071 453 H CA -0.891 55.415 56.048 0.429 0.000 1.307 453 H CB 0.883 30.936 29.762 0.485 0.000 1.416 453 H HN 0.499 8.939 8.280 0.267 0.000 0.464 454 S N 3.263 119.275 115.700 0.520 0.000 2.648 454 S HA 0.739 nan 4.470 nan 0.000 0.305 454 S C -0.616 174.095 174.600 0.185 0.000 1.094 454 S CA -1.401 56.941 58.200 0.236 0.000 0.983 454 S CB 2.361 65.687 63.200 0.210 0.000 1.101 454 S HN 0.700 9.301 8.310 0.486 0.000 0.514 455 T N 2.040 116.576 114.554 -0.029 0.000 2.791 455 T HA 0.386 nan 4.350 nan 0.000 0.288 455 T C -1.318 173.256 174.700 -0.209 0.000 0.999 455 T CA -0.530 61.547 62.100 -0.038 0.000 0.952 455 T CB 0.840 69.751 68.868 0.071 0.000 0.938 455 T HN 0.656 8.648 8.240 -0.221 0.116 0.444 456 V N 7.426 127.101 119.914 -0.398 0.000 2.318 456 V HA 0.373 nan 4.120 nan 0.000 0.271 456 V C -0.889 174.997 176.094 -0.347 0.000 1.030 456 V CA -1.093 60.912 62.300 -0.491 0.000 0.844 456 V CB -0.355 30.846 31.823 -1.036 0.000 1.015 456 V HN 1.045 8.829 8.190 -0.499 0.106 0.460 457 R N 7.521 127.946 120.500 -0.124 0.000 2.207 457 R HA 0.594 nan 4.340 nan 0.000 0.334 457 R C -1.058 175.263 176.300 0.035 0.000 1.013 457 R CA -1.063 55.024 56.100 -0.021 0.000 0.858 457 R CB 0.569 30.968 30.300 0.166 0.000 1.094 457 R HN 0.423 8.641 8.270 -0.086 0.000 0.457 458 I N 4.100 124.616 120.570 -0.091 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.494 174.630 176.117 0.010 0.000 0.998 458 I CA -1.021 60.300 61.300 0.035 0.000 1.137 458 I CB 2.678 40.573 38.000 -0.176 0.000 1.310 458 I HN 0.762 8.756 8.210 -0.185 0.105 0.445 459 F N 4.478 124.592 119.950 0.274 0.000 2.593 459 F HA 0.788 nan 4.527 nan 0.000 0.320 459 F C -1.551 174.484 175.800 0.391 0.000 1.060 459 F CA -1.576 56.639 58.000 0.357 0.000 0.940 459 F CB 4.270 43.531 39.000 0.435 0.000 1.268 459 F HN 0.427 8.993 8.300 0.612 0.102 0.475 460 L N 1.264 122.814 121.223 0.545 0.000 2.406 460 L HA 0.670 nan 4.340 nan 0.000 0.272 460 L C -2.360 174.695 176.870 0.308 0.000 0.980 460 L CA -1.338 53.728 54.840 0.378 0.000 0.831 460 L CB 3.538 45.739 42.059 0.237 0.000 1.253 460 L HN 0.889 9.332 8.230 0.542 0.113 0.406 461 A N 5.980 128.890 122.820 0.150 0.000 2.483 461 A HA 0.839 nan 4.320 nan 0.000 0.286 461 A C -3.475 174.113 177.584 0.006 0.000 1.207 461 A CA -2.707 49.252 52.037 -0.130 0.000 0.764 461 A CB 1.981 20.481 19.000 -0.834 0.000 1.341 461 A HN 1.016 9.170 8.150 0.194 0.112 0.428 462 P HA 0.312 nan 4.420 nan 0.000 0.292 462 P C -1.450 175.630 177.300 -0.367 0.000 1.283 462 P CA -0.782 62.045 63.100 -0.454 0.000 0.835 462 P CB 1.282 32.659 31.700 -0.538 0.000 1.017 463 K N 1.272 121.443 120.400 -0.381 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.536 176.895 176.600 -0.402 0.000 1.052 463 K CA 1.211 57.287 56.287 -0.352 0.000 0.969 463 K CB 0.889 33.179 32.500 -0.350 0.000 0.761 463 K HN -0.243 7.719 8.250 -0.480 0.000 0.459 464 Y N -2.042 118.102 120.300 -0.260 0.000 2.314 464 Y HA -0.153 nan 4.550 nan 0.000 0.334 464 Y C -0.566 175.214 175.900 -0.201 0.000 1.266 464 Y CA 1.979 59.954 58.100 -0.208 0.000 1.391 464 Y CB 0.818 39.153 38.460 -0.210 0.000 1.306 464 Y HN -0.862 7.240 8.280 -0.297 0.000 0.558 465 D N 0.591 121.031 120.400 0.068 0.000 2.588 465 D HA 0.172 nan 4.640 nan 0.000 0.268 465 D C -0.313 175.977 176.300 -0.017 0.000 1.176 465 D CA -1.460 52.532 54.000 -0.012 0.000 1.080 465 D CB 2.321 43.108 40.800 -0.022 0.000 1.186 465 D HN 0.135 8.473 8.370 0.139 0.115 0.619 466 E N -1.178 118.997 120.200 -0.042 0.000 2.442 466 E HA -0.092 nan 4.350 nan 0.000 0.195 466 E C -0.317 176.261 176.600 -0.038 0.000 1.030 466 E CA 1.193 57.562 56.400 -0.052 0.000 0.869 466 E CB 0.088 29.756 29.700 -0.055 0.000 0.857 466 E HN 0.253 8.585 8.360 -0.047 0.000 0.505 467 L N -0.019 121.190 121.223 -0.023 0.000 1.960 467 L HA -0.069 nan 4.340 nan 0.000 0.209 467 L C 0.913 177.781 176.870 -0.003 0.000 1.090 467 L CA 1.654 56.485 54.840 -0.014 0.000 0.759 467 L CB -0.129 41.923 42.059 -0.011 0.000 0.892 467 L HN -0.345 7.989 8.230 -0.023 -0.118 0.436 468 N N -4.475 114.241 118.700 0.027 0.000 3.441 468 N HA -0.033 nan 4.740 nan 0.000 0.313 468 N C -1.999 173.596 175.510 0.142 0.000 1.526 468 N CA -0.613 52.485 53.050 0.079 0.000 0.871 468 N CB 1.083 39.598 38.487 0.047 0.000 1.779 468 N HN -0.555 7.840 8.380 0.025 0.000 0.529 469 N N -0.102 118.693 118.700 0.157 0.000 2.434 469 N HA -0.122 nan 4.740 nan 0.000 0.273 469 N C -1.489 173.974 175.510 -0.078 0.000 1.210 469 N CA 0.859 53.893 53.050 -0.026 0.000 0.992 469 N CB -0.043 38.335 38.487 -0.182 0.000 1.355 469 N HN 0.209 8.693 8.380 0.174 0.000 0.495 470 K N 3.211 123.564 120.400 -0.078 0.000 2.572 470 K HA 0.273 nan 4.320 nan 0.000 0.244 470 K C -0.314 176.232 176.600 -0.091 0.000 0.965 470 K CA -1.485 54.759 56.287 -0.072 0.000 0.943 470 K CB 1.090 33.564 32.500 -0.042 0.000 1.154 470 K HN -0.313 7.897 8.250 -0.067 0.000 0.447 471 L N 6.488 127.655 121.223 -0.093 0.000 2.930 471 L HA 0.000 nan 4.340 nan 0.000 0.250 471 L C -0.820 176.018 176.870 -0.054 0.000 1.320 471 L CA -0.886 53.899 54.840 -0.092 0.000 1.163 471 L CB -1.724 40.284 42.059 -0.084 0.000 1.542 471 L HN 0.851 9.030 8.230 -0.085 0.000 0.428 472 E N 1.542 121.708 120.200 -0.057 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.293 175.279 176.600 -0.048 0.000 1.180 472 E CA -1.208 55.168 56.400 -0.039 0.000 0.926 472 E CB -0.647 29.030 29.700 -0.038 0.000 1.035 472 E HN -0.248 7.961 8.360 -0.069 0.109 0.418 473 P HA -0.125 nan 4.420 nan 0.000 0.222 473 P C 0.733 178.030 177.300 -0.005 0.000 1.153 473 P CA 2.428 65.530 63.100 0.004 0.000 0.798 473 P CB 0.297 32.011 31.700 0.022 0.000 0.796 474 D N -0.355 120.028 120.400 -0.028 0.000 2.097 474 D HA -0.322 nan 4.640 nan 0.000 0.197 474 D C 1.403 177.704 176.300 0.003 0.000 0.984 474 D CA 3.363 57.356 54.000 -0.012 0.000 0.826 474 D CB -0.428 40.361 40.800 -0.018 0.000 0.973 474 D HN 0.310 8.661 8.370 -0.033 0.000 0.460 475 E N -1.744 118.445 120.200 -0.019 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.478 179.047 176.600 -0.052 0.000 0.994 475 E CA 2.994 59.376 56.400 -0.030 0.000 0.801 475 E CB -0.160 29.511 29.700 -0.047 0.000 0.743 475 E HN 0.113 8.459 8.360 -0.025 0.000 0.453 476 Q N -1.430 118.309 119.800 -0.101 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.196 176.000 -0.101 0.000 0.970 476 Q CA 2.569 58.227 55.803 -0.242 0.000 0.876 476 Q CB -0.249 28.196 28.738 -0.489 0.000 0.935 476 Q HN 0.117 8.154 8.270 -0.090 0.179 0.455 477 R N -1.443 119.146 120.500 0.147 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.714 178.144 176.300 0.218 0.000 1.127 477 R CA 2.613 58.893 56.100 0.300 0.000 0.989 477 R CB -0.488 29.937 30.300 0.209 0.000 0.869 477 R HN -0.205 8.007 8.270 0.096 0.115 0.459 478 R N -2.927 117.643 120.500 0.117 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.524 176.300 0.078 0.000 1.088 478 R CA 1.286 57.448 56.100 0.102 0.000 0.985 478 R CB -0.135 30.207 30.300 0.070 0.000 0.880 478 R HN -0.656 7.621 8.270 0.071 0.036 0.451 479 L N -1.456 119.783 121.223 0.026 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.805 177.706 176.870 0.051 0.000 1.070 479 L CA 0.744 55.574 54.840 -0.015 0.000 0.820 479 L CB 0.112 42.094 42.059 -0.128 0.000 0.992 479 L HN -0.353 7.702 8.230 -0.004 0.173 0.466 480 F N -0.655 119.303 119.950 0.015 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.246 176.200 175.800 0.257 0.000 0.990 480 F CA 2.565 60.617 58.000 0.087 0.000 1.137 480 F CB -0.246 38.692 39.000 -0.104 0.000 0.960 480 F HN -0.212 8.100 8.300 0.020 0.000 0.533 481 I N -0.387 120.508 120.570 0.543 0.000 2.465 481 I HA 0.403 nan 4.170 nan 0.000 0.291 481 I C -1.643 174.626 176.117 0.253 0.000 1.014 481 I CA -2.165 59.338 61.300 0.338 0.000 1.093 481 I CB 3.317 41.407 38.000 0.150 0.000 1.267 481 I HN 0.724 9.158 8.210 0.563 0.114 0.431 482 E N 6.660 126.857 120.200 -0.005 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.114 175.389 176.600 -0.160 0.000 1.068 482 E CA 0.365 56.476 56.400 -0.482 0.000 0.882 482 E CB 0.479 29.962 29.700 -0.363 0.000 1.039 482 E HN 0.048 8.784 8.360 0.149 -0.286 0.418 483 L N 5.894 127.044 121.223 -0.122 0.000 2.375 483 L HA 0.105 nan 4.340 nan 0.000 0.215 483 L C -0.453 176.402 176.870 -0.025 0.000 1.108 483 L CA 0.534 55.382 54.840 0.014 0.000 0.830 483 L CB 0.587 42.759 42.059 0.188 0.000 0.959 483 L HN 0.765 8.773 8.230 -0.186 0.111 0.457 484 D N -3.896 116.449 120.400 -0.092 0.000 2.683 484 D HA 0.155 nan 4.640 nan 0.000 0.246 484 D C -2.921 173.361 176.300 -0.031 0.000 1.238 484 D CA -0.475 53.507 54.000 -0.031 0.000 0.759 484 D CB 2.570 43.359 40.800 -0.018 0.000 1.349 484 D HN -0.835 7.431 8.370 -0.173 0.000 0.426 485 K N 2.544 122.986 120.400 0.070 0.000 2.651 485 K HA 0.572 nan 4.320 nan 0.000 0.259 485 K C -2.170 174.516 176.600 0.144 0.000 1.017 485 K CA -0.102 56.203 56.287 0.029 0.000 0.897 485 K CB 1.830 34.336 32.500 0.009 0.000 1.262 485 K HN 0.200 8.531 8.250 0.135 0.000 0.460 486 F N 1.425 121.355 119.950 -0.032 0.000 2.675 486 F HA 0.498 nan 4.527 nan 0.000 0.324 486 F C -2.352 173.477 175.800 0.048 0.000 1.106 486 F CA -3.089 54.908 58.000 -0.006 0.000 0.970 486 F CB 2.810 41.789 39.000 -0.035 0.000 1.385 486 F HN 0.022 8.088 8.300 -0.391 0.000 0.489 487 F N -0.696 119.287 119.950 0.055 0.000 2.436 487 F HA 0.451 nan 4.527 nan 0.000 0.340 487 F C -2.235 173.702 175.800 0.229 0.000 1.113 487 F CA -1.618 56.296 58.000 -0.143 0.000 1.022 487 F CB 2.347 40.956 39.000 -0.651 0.000 1.128 487 F HN 0.155 8.686 8.300 0.385 0.000 0.466 488 Y N 7.179 127.312 120.300 -0.279 0.000 2.638 488 Y HA 0.231 nan 4.550 nan 0.000 0.339 488 Y C -2.273 173.450 175.900 -0.295 0.000 1.084 488 Y CA -1.291 56.594 58.100 -0.358 0.000 1.068 488 Y CB 4.726 43.208 38.460 0.037 0.000 1.294 488 Y HN -0.236 8.142 8.280 0.163 0.000 0.480 489 T N 3.934 118.120 114.554 -0.612 0.000 2.841 489 T HA 0.590 nan 4.350 nan 0.000 0.283 489 T C -1.589 172.937 174.700 -0.290 0.000 1.000 489 T CA -0.646 61.278 62.100 -0.293 0.000 0.977 489 T CB 1.231 69.966 68.868 -0.221 0.000 0.979 489 T HN -0.003 7.438 8.240 -1.332 0.000 0.446 490 L N 5.878 127.047 121.223 -0.091 0.000 2.372 490 L HA 0.430 nan 4.340 nan 0.000 0.273 490 L C -0.481 176.361 176.870 -0.048 0.000 0.989 490 L CA -1.027 53.816 54.840 0.006 0.000 0.841 490 L CB 2.213 44.328 42.059 0.093 0.000 1.225 490 L HN 0.826 8.890 8.230 -0.110 0.100 0.414 491 T N 2.523 117.053 114.554 -0.040 0.000 2.748 491 T HA 0.216 nan 4.350 nan 0.000 0.304 491 T C -0.952 173.729 174.700 -0.030 0.000 1.041 491 T CA -2.135 59.939 62.100 -0.043 0.000 1.033 491 T CB -1.089 67.761 68.868 -0.031 0.000 0.995 491 T HN 0.129 8.557 8.240 -0.012 -0.195 0.536 492 P HA -0.291 nan 4.420 nan 0.000 0.268 492 P C -0.695 176.596 177.300 -0.015 0.000 1.208 492 P CA 0.546 63.629 63.100 -0.029 0.000 0.777 492 P CB 0.126 31.810 31.700 -0.028 0.000 0.875 493 G N 2.320 111.110 108.800 -0.015 0.000 2.542 493 G HA2 -0.419 nan 3.960 nan 0.000 0.235 493 G HA3 -0.419 nan 3.960 nan 0.000 0.235 493 G C -1.474 173.428 174.900 0.005 0.000 1.286 493 G CA -0.370 44.727 45.100 -0.006 0.000 0.904 493 G HN 0.058 8.230 8.290 -0.024 0.104 0.577 494 K N 3.009 123.416 120.400 0.011 0.000 2.419 494 K HA -0.170 nan 4.320 nan 0.000 0.282 494 K C -0.828 175.792 176.600 0.034 0.000 1.056 494 K CA 1.041 57.341 56.287 0.021 0.000 1.035 494 K CB -0.223 32.289 32.500 0.020 0.000 0.921 494 K HN 0.117 8.372 8.250 0.008 0.000 0.472 495 N N 5.477 124.206 118.700 0.048 0.000 2.269 495 N HA 0.303 nan 4.740 nan 0.000 0.304 495 N C -1.683 173.869 175.510 0.071 0.000 1.072 495 N CA -0.516 52.579 53.050 0.075 0.000 0.802 495 N CB 4.252 42.803 38.487 0.107 0.000 1.348 495 N HN 0.551 8.855 8.380 0.044 0.102 0.484 496 T N -3.549 111.049 114.554 0.075 0.000 2.841 496 T HA 0.670 nan 4.350 nan 0.000 0.283 496 T C -0.906 173.803 174.700 0.015 0.000 1.000 496 T CA -1.721 60.407 62.100 0.046 0.000 0.977 496 T CB 1.444 70.333 68.868 0.035 0.000 0.979 496 T HN 0.204 8.498 8.240 0.090 0.000 0.446 497 I N 2.759 123.292 120.570 -0.062 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.523 174.515 176.117 -0.131 0.000 1.011 497 I CA -1.325 59.817 61.300 -0.264 0.000 1.107 497 I CB 3.887 41.682 38.000 -0.341 0.000 1.285 497 I HN 0.540 8.741 8.210 -0.014 0.000 0.436 498 V N 5.051 124.865 119.914 -0.166 0.000 2.588 498 V HA 0.594 nan 4.120 nan 0.000 0.304 498 V C -1.476 174.526 176.094 -0.155 0.000 1.042 498 V CA -1.356 60.888 62.300 -0.093 0.000 0.877 498 V CB 1.796 33.580 31.823 -0.065 0.000 0.996 498 V HN 0.118 8.157 8.190 -0.251 0.000 0.425 499 R N 7.277 127.716 120.500 -0.102 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.886 174.336 176.300 -0.130 0.000 1.056 499 R CA -1.757 54.236 56.100 -0.179 0.000 0.918 499 R CB 2.956 33.105 30.300 -0.251 0.000 1.187 499 R HN 0.334 8.587 8.270 -0.028 0.000 0.437 500 N N 6.426 125.015 118.700 -0.186 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.777 176.156 175.510 -0.218 0.000 1.119 500 N CA -0.422 52.509 53.050 -0.198 0.000 0.983 500 N CB 0.876 39.278 38.487 -0.142 0.000 1.139 500 N HN 0.462 8.721 8.380 -0.203 0.000 0.465 501 H N 3.460 122.347 119.070 -0.304 0.000 2.375 501 H HA -0.540 nan 4.556 nan 0.000 0.289 501 H C 1.777 177.110 175.328 0.007 0.000 1.121 501 H CA 4.291 60.231 56.048 -0.179 0.000 1.207 501 H CB -0.049 29.759 29.762 0.076 0.000 1.355 501 H HN 0.654 8.793 8.280 -0.234 0.000 0.486 502 Q N -1.563 117.825 119.800 -0.686 0.000 2.124 502 Q HA -0.280 nan 4.340 nan 0.000 0.202 502 Q C 1.477 177.349 176.000 -0.213 0.000 0.977 502 Q CA 2.787 58.233 55.803 -0.595 0.000 0.850 502 Q CB -0.746 27.760 28.738 -0.387 0.000 0.901 502 Q HN 0.332 8.256 8.270 -0.475 0.061 0.429 503 D N -2.473 117.820 120.400 -0.179 0.000 2.352 503 D HA 0.071 nan 4.640 nan 0.000 0.236 503 D C -0.204 176.049 176.300 -0.079 0.000 1.148 503 D CA -0.783 53.145 54.000 -0.120 0.000 0.844 503 D CB -1.041 39.665 40.800 -0.158 0.000 0.933 503 D HN -0.655 7.557 8.370 -0.220 0.026 0.507 504 S N 0.399 116.079 115.700 -0.033 0.000 2.544 504 S HA -0.181 nan 4.470 nan 0.000 0.290 504 S C 0.584 175.176 174.600 -0.013 0.000 1.276 504 S CA 1.164 59.368 58.200 0.008 0.000 1.075 504 S CB 0.272 63.516 63.200 0.073 0.000 0.849 504 S HN -0.763 7.425 8.310 -0.038 0.099 0.494 505 S N 8.111 123.798 115.700 -0.023 0.000 2.727 505 S HA -0.075 nan 4.470 nan 0.000 0.226 505 S C 0.072 174.623 174.600 -0.082 0.000 0.963 505 S CA 1.629 59.813 58.200 -0.026 0.000 0.950 505 S CB -0.325 62.877 63.200 0.003 0.000 0.779 505 S HN 0.381 8.837 8.310 -0.009 -0.151 0.532 506 V N -6.859 112.945 119.914 -0.184 0.000 3.645 506 V HA 0.371 nan 4.120 nan 0.000 0.275 506 V C -0.666 175.363 176.094 -0.109 0.000 1.356 506 V CA -0.181 61.861 62.300 -0.430 0.000 1.051 506 V CB 0.688 31.837 31.823 -1.123 0.000 0.828 506 V HN -0.730 7.279 8.190 -0.123 0.107 0.441 507 T N -1.322 113.253 114.554 0.035 0.000 2.943 507 T HA 0.410 nan 4.350 nan 0.000 0.284 507 T C -1.563 173.238 174.700 0.169 0.000 1.015 507 T CA -1.811 60.390 62.100 0.168 0.000 1.042 507 T CB 1.978 70.958 68.868 0.186 0.000 1.055 507 T HN -0.740 7.505 8.240 0.008 0.000 0.500 508 I N 2.196 122.884 120.570 0.196 0.000 2.532 508 I HA 0.256 nan 4.170 nan 0.000 0.292 508 I C -0.174 176.024 176.117 0.136 0.000 1.014 508 I CA -1.678 59.721 61.300 0.164 0.000 1.340 508 I CB 2.167 40.275 38.000 0.180 0.000 1.422 508 I HN 0.093 8.387 8.210 0.225 0.051 0.528 509 S N 7.771 123.530 115.700 0.098 0.000 2.291 509 S HA -0.014 nan 4.470 nan 0.000 0.185 509 S C -0.172 174.471 174.600 0.072 0.000 0.996 509 S CA 1.055 59.299 58.200 0.074 0.000 0.997 509 S CB 0.529 63.744 63.200 0.025 0.000 0.899 509 S HN -0.092 8.431 8.310 0.087 -0.162 0.493 510 K N 1.020 121.442 120.400 0.038 0.000 2.221 510 K HA 0.255 nan 4.320 nan 0.000 0.258 510 K C -1.213 175.431 176.600 0.073 0.000 0.944 510 K CA -0.937 55.375 56.287 0.041 0.000 0.823 510 K CB 1.547 34.044 32.500 -0.004 0.000 1.113 510 K HN -0.205 8.048 8.250 0.005 0.000 0.431 511 V N 1.853 121.818 119.914 0.084 0.000 3.488 511 V HA 0.389 nan 4.120 nan 0.000 0.291 511 V C -1.517 174.617 176.094 0.067 0.000 1.163 511 V CA -2.074 60.282 62.300 0.093 0.000 0.971 511 V CB 1.552 33.427 31.823 0.087 0.000 1.245 511 V HN 0.354 8.591 8.190 0.078 0.000 0.456 512 R N -1.161 119.365 120.500 0.043 0.000 2.734 512 R HA 0.319 nan 4.340 nan 0.000 0.271 512 R C -2.072 174.218 176.300 -0.017 0.000 1.021 512 R CA -1.458 54.655 56.100 0.022 0.000 0.893 512 R CB 2.359 32.678 30.300 0.032 0.000 1.244 512 R HN -0.080 8.209 8.270 0.031 0.000 0.464 513 T N -0.303 114.235 114.554 -0.027 0.000 2.937 513 T HA 0.607 nan 4.350 nan 0.000 0.283 513 T C 0.135 174.808 174.700 -0.045 0.000 1.012 513 T CA -2.140 59.911 62.100 -0.081 0.000 0.997 513 T CB 1.428 70.257 68.868 -0.064 0.000 1.136 513 T HN -0.423 7.814 8.240 -0.005 0.000 0.551 514 F N 1.982 121.760 119.950 -0.286 0.000 2.154 514 F HA -0.334 nan 4.527 nan 0.000 0.301 514 F C 0.689 176.508 175.800 0.033 0.000 1.087 514 F CA 4.201 62.168 58.000 -0.055 0.000 1.274 514 F CB 0.401 39.495 39.000 0.156 0.000 1.009 514 F HN 0.610 8.686 8.300 -0.373 0.000 0.485 515 D N -3.311 117.278 120.400 0.314 0.000 2.349 515 D HA -0.014 nan 4.640 nan 0.000 0.215 515 D C 0.864 177.228 176.300 0.108 0.000 1.016 515 D CA 2.026 56.156 54.000 0.217 0.000 0.870 515 D CB -0.269 40.646 40.800 0.193 0.000 0.917 515 D HN -0.322 8.184 8.370 0.271 0.026 0.524 516 Q N -0.387 119.453 119.800 0.067 0.000 2.033 516 Q HA -0.126 nan 4.340 nan 0.000 0.196 516 Q C 2.357 178.370 176.000 0.022 0.000 0.970 516 Q CA 2.665 58.489 55.803 0.035 0.000 0.828 516 Q CB 0.922 29.673 28.738 0.021 0.000 0.895 516 Q HN -0.557 7.582 8.270 0.064 0.169 0.440 517 L N -1.655 119.559 121.223 -0.014 0.000 2.187 517 L HA -0.337 nan 4.340 nan 0.000 0.213 517 L C 1.655 178.486 176.870 -0.065 0.000 1.100 517 L CA 2.147 56.941 54.840 -0.077 0.000 0.765 517 L CB -0.376 41.556 42.059 -0.211 0.000 0.904 517 L HN 0.239 8.391 8.230 -0.014 0.069 0.437 518 G N -4.028 104.774 108.800 0.003 0.000 2.527 518 G HA2 -0.232 nan 3.960 nan 0.000 0.219 518 G HA3 -0.232 nan 3.960 nan 0.000 0.219 518 G C -0.412 174.506 174.900 0.031 0.000 1.117 518 G CA 1.032 46.161 45.100 0.049 0.000 0.759 518 G HN -0.234 8.067 8.290 0.046 0.016 0.556 519 A N 0.280 123.112 122.820 0.020 0.000 1.862 519 A HA 0.124 nan 4.320 nan 0.000 0.211 519 A C -0.110 177.476 177.584 0.004 0.000 1.220 519 A CA 0.391 52.435 52.037 0.012 0.000 0.616 519 A CB 1.036 20.046 19.000 0.016 0.000 0.878 519 A HN 0.141 8.167 8.150 0.024 0.138 0.453 520 G N -1.451 107.357 108.800 0.014 0.000 2.721 520 G HA2 -0.253 nan 3.960 nan 0.000 0.686 520 G HA3 -0.253 nan 3.960 nan 0.000 0.686 520 G C -2.135 172.778 174.900 0.022 0.000 1.236 520 G CA -0.214 44.894 45.100 0.013 0.000 0.786 520 G HN -0.382 7.857 8.290 0.019 0.061 0.616 521 E N 0.470 120.685 120.200 0.025 0.000 2.315 521 E HA 0.081 nan 4.350 nan 0.000 0.256 521 E C -0.424 176.185 176.600 0.014 0.000 1.148 521 E CA -0.969 55.444 56.400 0.022 0.000 0.898 521 E CB 0.335 30.054 29.700 0.032 0.000 1.708 521 E HN 0.102 8.472 8.360 0.016 0.000 0.473 522 G N -0.089 108.716 108.800 0.009 0.000 2.473 522 G HA2 -0.052 nan 3.960 nan 0.000 0.212 522 G HA3 -0.052 nan 3.960 nan 0.000 0.212 522 G C -1.528 173.373 174.900 0.002 0.000 1.211 522 G CA 0.381 45.481 45.100 0.001 0.000 0.813 522 G HN 0.200 8.494 8.290 0.007 0.000 0.541 523 V N -0.749 119.172 119.914 0.012 0.000 3.048 523 V HA 0.292 nan 4.120 nan 0.000 0.303 523 V C -1.641 174.466 176.094 0.022 0.000 1.214 523 V CA -0.749 61.554 62.300 0.006 0.000 0.984 523 V CB 2.482 34.303 31.823 -0.003 0.000 1.054 523 V HN -0.076 8.129 8.190 0.025 0.000 0.430 524 S N 2.248 117.952 115.700 0.007 0.000 2.715 524 S HA 0.453 nan 4.470 nan 0.000 0.307 524 S C -1.320 173.283 174.600 0.005 0.000 1.119 524 S CA -0.638 57.572 58.200 0.015 0.000 0.937 524 S CB 1.467 64.658 63.200 -0.015 0.000 1.150 524 S HN 0.146 8.452 8.310 -0.006 0.000 0.521 525 E N 2.704 122.910 120.200 0.010 0.000 2.349 525 E HA 0.133 nan 4.350 nan 0.000 0.262 525 E C -0.137 176.456 176.600 -0.012 0.000 1.088 525 E CA -0.247 56.156 56.400 0.005 0.000 0.899 525 E CB 0.642 30.354 29.700 0.019 0.000 1.044 525 E HN 0.216 8.587 8.360 0.019 0.000 0.420 526 D N 2.451 122.845 120.400 -0.010 0.000 2.106 526 D HA -0.233 nan 4.640 nan 0.000 0.194 526 D C 2.018 178.306 176.300 -0.020 0.000 0.988 526 D CA 3.005 56.996 54.000 -0.014 0.000 0.845 526 D CB 0.102 40.896 40.800 -0.010 0.000 0.990 526 D HN 0.066 8.433 8.370 -0.005 0.000 0.448 527 S N -1.861 113.828 115.700 -0.018 0.000 2.325 527 S HA -0.110 nan 4.470 nan 0.000 0.214 527 S C 0.014 174.593 174.600 -0.035 0.000 1.031 527 S CA 1.766 59.952 58.200 -0.024 0.000 0.972 527 S CB 0.725 63.913 63.200 -0.020 0.000 0.908 527 S HN 0.185 8.487 8.310 -0.013 0.000 0.453 528 T N 0.113 114.647 114.554 -0.034 0.000 2.923 528 T HA 0.142 nan 4.350 nan 0.000 0.311 528 T C -2.079 172.597 174.700 -0.040 0.000 1.183 528 T CA -0.679 61.389 62.100 -0.053 0.000 1.020 528 T CB 3.104 71.934 68.868 -0.063 0.000 1.165 528 T HN -0.543 7.684 8.240 -0.021 0.000 0.482 529 E N 2.651 122.806 120.200 -0.077 0.000 2.374 529 E HA 0.041 nan 4.350 nan 0.000 0.260 529 E C -0.505 176.039 176.600 -0.094 0.000 1.101 529 E CA -1.405 54.945 56.400 -0.083 0.000 0.907 529 E CB 1.370 30.949 29.700 -0.201 0.000 1.014 529 E HN 0.215 8.508 8.360 -0.111 0.000 0.427 530 Y N 1.204 121.476 120.300 -0.047 0.000 2.729 530 Y HA -0.190 nan 4.550 nan 0.000 0.331 530 Y C -0.630 175.241 175.900 -0.048 0.000 1.208 530 Y CA -0.459 57.621 58.100 -0.034 0.000 1.521 530 Y CB -0.877 37.570 38.460 -0.023 0.000 1.233 530 Y HN -0.303 8.374 8.280 0.276 -0.232 0.539 531 C N 3.932 123.198 119.300 -0.056 0.000 2.423 531 C HA 0.424 nan 4.460 nan 0.000 0.378 531 C C 1.601 176.577 174.990 -0.023 0.000 1.244 531 C CA -2.769 56.166 59.018 -0.139 0.000 1.978 531 C CB 2.530 30.183 27.740 -0.146 0.000 2.252 531 C HN 0.051 8.303 8.230 0.037 0.000 0.526 532 S N -1.251 114.400 115.700 -0.081 0.000 2.803 532 S HA -0.129 nan 4.470 nan 0.000 0.226 532 S C -0.700 173.967 174.600 0.111 0.000 0.962 532 S CA 1.038 59.235 58.200 -0.005 0.000 0.968 532 S CB -1.289 61.847 63.200 -0.107 0.000 0.786 532 S HN 0.162 8.366 8.310 -0.177 0.000 0.527 533 C N 0.809 120.190 119.300 0.135 0.000 2.614 533 C HA 0.405 nan 4.460 nan 0.000 0.320 533 C C -1.451 173.758 174.990 0.365 0.000 1.200 533 C CA -0.610 58.587 59.018 0.299 0.000 1.700 533 C CB 1.580 29.471 27.740 0.252 0.000 2.275 533 C HN -0.824 7.379 8.230 0.095 0.083 0.492 534 G N 2.780 111.911 108.800 0.553 0.000 2.323 534 G HA2 0.164 nan 3.960 nan 0.000 0.291 534 G HA3 0.164 nan 3.960 nan 0.000 0.291 534 G C -2.210 172.914 174.900 0.373 0.000 1.278 534 G CA 0.122 45.495 45.100 0.457 0.000 0.860 534 G HN -0.483 8.239 8.290 0.720 0.000 0.504 535 W N 1.138 122.467 121.300 0.049 0.000 2.261 535 W HA 0.307 nan 4.660 nan 0.000 0.323 535 W C -1.576 174.975 176.519 0.054 0.000 1.243 535 W CA -2.424 54.928 57.345 0.012 0.000 1.210 535 W CB 1.585 31.093 29.460 0.080 0.000 1.149 535 W HN 0.118 8.535 8.180 0.395 0.000 0.562 536 P HA -0.124 nan 4.420 nan 0.000 0.262 536 P C -0.031 177.193 177.300 -0.127 0.000 1.199 536 P CA 0.392 63.285 63.100 -0.345 0.000 0.763 536 P CB 0.203 31.463 31.700 -0.733 0.000 0.790 537 E N 6.318 126.580 120.200 0.103 0.000 2.049 537 E HA -0.470 nan 4.350 nan 0.000 0.198 537 E C 1.033 177.845 176.600 0.353 0.000 1.007 537 E CA 3.691 60.269 56.400 0.297 0.000 0.809 537 E CB -0.480 29.405 29.700 0.310 0.000 0.749 537 E HN 0.618 9.043 8.360 0.107 0.000 0.450 538 H N -3.877 115.284 119.070 0.152 0.000 2.520 538 H HA -0.178 nan 4.556 nan 0.000 0.295 538 H C 0.372 175.895 175.328 0.325 0.000 1.096 538 H CA 2.105 58.246 56.048 0.155 0.000 1.249 538 H CB -0.991 28.751 29.762 -0.034 0.000 1.365 538 H HN 0.204 8.698 8.280 0.356 0.000 0.556 539 M N -2.196 117.490 119.600 0.144 0.000 2.475 539 M HA 0.199 nan 4.480 nan 0.000 0.283 539 M C 0.675 177.317 176.300 0.571 0.000 1.165 539 M CA -2.741 52.786 55.300 0.378 0.000 0.976 539 M CB -1.010 31.790 32.600 0.334 0.000 1.428 539 M HN -0.381 7.701 8.290 -0.044 0.182 0.495 540 L N 2.318 123.819 121.223 0.464 0.000 2.131 540 L HA -0.171 nan 4.340 nan 0.000 0.210 540 L C -1.407 175.514 176.870 0.084 0.000 1.092 540 L CA 2.879 57.901 54.840 0.305 0.000 0.759 540 L CB 0.502 42.713 42.059 0.253 0.000 0.903 540 L HN -0.063 8.283 8.230 0.493 0.179 0.435 541 I N -3.589 116.962 120.570 -0.032 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.599 173.476 176.117 -0.069 0.000 1.042 541 I CA -3.324 57.890 61.300 -0.143 0.000 1.067 541 I CB 1.878 39.656 38.000 -0.371 0.000 1.233 541 I HN -0.544 7.676 8.210 0.051 0.021 0.431 542 P HA 0.006 nan 4.420 nan 0.000 0.270 542 P C -1.408 175.825 177.300 -0.111 0.000 1.221 542 P CA -0.232 62.826 63.100 -0.070 0.000 0.788 542 P CB 0.682 32.321 31.700 -0.102 0.000 0.904 543 R N 1.426 121.881 120.500 -0.075 0.000 2.127 543 R HA -0.376 nan 4.340 nan 0.000 0.238 543 R C 0.812 177.087 176.300 -0.041 0.000 1.134 543 R CA 1.890 57.912 56.100 -0.130 0.000 0.975 543 R CB 0.460 30.499 30.300 -0.435 0.000 0.865 543 R HN 0.235 8.841 8.270 -0.026 -0.352 0.447 544 G N -2.319 106.487 108.800 0.010 0.000 2.561 544 G HA2 -0.411 nan 3.960 nan 0.000 0.289 544 G HA3 -0.411 nan 3.960 nan 0.000 0.289 544 G C -1.062 173.911 174.900 0.122 0.000 1.169 544 G CA 0.186 45.386 45.100 0.166 0.000 0.980 544 G HN -0.521 7.742 8.290 0.013 0.035 0.550 545 S N -0.549 115.229 115.700 0.130 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.188 174.884 174.600 0.160 0.000 1.161 545 S CA -1.038 57.232 58.200 0.116 0.000 0.820 545 S CB 2.818 66.062 63.200 0.074 0.000 1.137 545 S HN -0.465 7.928 8.310 0.138 0.000 0.470 546 H N 3.998 123.132 119.070 0.107 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.411 174.951 175.328 0.057 0.000 1.075 546 H CA 2.359 58.467 56.048 0.099 0.000 1.342 546 H CB 0.325 30.140 29.762 0.088 0.000 1.395 546 H HN 0.662 9.084 8.280 0.237 0.000 0.530 547 K N -5.172 115.177 120.400 -0.085 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.400 176.949 176.600 -0.086 0.000 1.049 547 K CA 0.471 56.697 56.287 -0.102 0.000 0.936 547 K CB -0.107 32.371 32.500 -0.036 0.000 0.722 547 K HN -0.216 8.029 8.250 0.027 0.021 0.446 548 G N 0.838 109.618 108.800 -0.033 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.399 173.553 174.900 0.088 0.000 1.134 548 G CA -0.601 44.512 45.100 0.020 0.000 1.049 548 G HN -0.587 7.519 8.290 -0.019 0.172 0.458 549 M N 2.573 122.274 119.600 0.170 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.081 174.447 176.300 0.379 0.000 1.153 549 M CA -0.464 54.984 55.300 0.247 0.000 1.084 549 M CB 3.174 35.961 32.600 0.311 0.000 1.468 549 M HN 0.200 8.596 8.290 0.177 0.000 0.474 550 E N 0.668 121.036 120.200 0.279 0.000 2.224 550 E HA 0.706 nan 4.350 nan 0.000 0.265 550 E C -1.450 175.141 176.600 -0.015 0.000 0.878 550 E CA -1.142 55.377 56.400 0.199 0.000 0.759 550 E CB 2.610 32.395 29.700 0.141 0.000 1.164 550 E HN 0.143 8.595 8.360 0.154 0.000 0.414 551 F N 4.522 124.456 119.950 -0.027 0.000 2.814 551 F HA 0.702 nan 4.527 nan 0.000 0.353 551 F C -1.336 174.435 175.800 -0.048 0.000 1.177 551 F CA -1.331 56.644 58.000 -0.041 0.000 1.036 551 F CB 5.007 43.995 39.000 -0.019 0.000 1.455 551 F HN 0.828 9.284 8.300 0.259 0.000 0.520 552 E N -0.393 119.922 120.200 0.192 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.722 176.600 0.244 0.000 0.889 552 E CA -1.344 55.127 56.400 0.119 0.000 0.789 552 E CB 3.573 33.271 29.700 -0.003 0.000 1.221 552 E HN 0.536 8.984 8.360 0.288 0.084 0.414 553 L N 8.394 129.770 121.223 0.255 0.000 2.287 553 L HA 0.372 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.944 176.870 0.429 0.000 1.055 553 L CA -0.761 54.297 54.840 0.364 0.000 0.863 553 L CB 0.991 43.258 42.059 0.347 0.000 1.245 553 L HN 0.072 8.414 8.230 0.186 0.000 0.432 554 F N 8.958 129.152 119.950 0.408 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.816 174.233 175.800 0.415 0.000 1.123 554 F CA -2.801 55.438 58.000 0.397 0.000 1.044 554 F CB 2.053 41.331 39.000 0.464 0.000 1.135 554 F HN 0.391 9.009 8.300 0.735 0.123 0.461 555 V N 8.126 128.455 119.914 0.691 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.204 176.094 0.295 0.000 1.046 555 V CA -1.849 60.686 62.300 0.391 0.000 0.934 555 V CB 2.606 34.575 31.823 0.244 0.000 1.003 555 V HN 0.974 9.494 8.190 0.741 0.115 0.451 556 M N 3.590 123.274 119.600 0.140 0.000 2.530 556 M HA 0.740 nan 4.480 nan 0.000 0.307 556 M C -2.235 174.056 176.300 -0.014 0.000 1.161 556 M CA -1.495 53.817 55.300 0.021 0.000 0.903 556 M CB 4.435 36.968 32.600 -0.113 0.000 1.711 556 M HN 0.672 9.048 8.290 0.144 0.000 0.451 557 L N 5.216 126.434 121.223 -0.008 0.000 2.316 557 L HA 0.591 nan 4.340 nan 0.000 0.280 557 L C -1.760 174.943 176.870 -0.278 0.000 1.006 557 L CA -0.649 54.140 54.840 -0.084 0.000 0.836 557 L CB 0.880 43.019 42.059 0.133 0.000 1.221 557 L HN 0.567 8.823 8.230 0.045 0.000 0.418 558 T N 4.805 119.102 114.554 -0.428 0.000 2.937 558 T HA 0.373 nan 4.350 nan 0.000 0.283 558 T C -1.490 172.628 174.700 -0.971 0.000 1.012 558 T CA -1.650 60.108 62.100 -0.570 0.000 0.997 558 T CB 2.007 70.747 68.868 -0.214 0.000 1.136 558 T HN 0.488 8.558 8.240 -0.284 0.000 0.551 559 D N 0.432 120.387 120.400 -0.742 0.000 2.302 559 D HA 0.217 nan 4.640 nan 0.000 0.248 559 D C 0.172 176.353 176.300 -0.199 0.000 1.094 559 D CA -0.428 53.286 54.000 -0.476 0.000 0.897 559 D CB 1.749 42.515 40.800 -0.057 0.000 1.200 559 D HN 0.288 8.388 8.370 -0.449 0.000 0.429 560 H N 5.607 124.630 119.070 -0.078 0.000 2.448 560 H HA -0.093 nan 4.556 nan 0.000 0.292 560 H C 2.098 177.332 175.328 -0.156 0.000 1.035 560 H CA 2.906 58.897 56.048 -0.095 0.000 1.349 560 H CB 0.974 30.724 29.762 -0.020 0.000 1.425 560 H HN 0.299 8.681 8.280 0.169 0.000 0.539 561 D N -1.386 118.913 120.400 -0.167 0.000 2.084 561 D HA -0.286 nan 4.640 nan 0.000 0.194 561 D C 2.501 178.666 176.300 -0.226 0.000 0.990 561 D CA 3.490 57.368 54.000 -0.203 0.000 0.826 561 D CB -0.473 40.295 40.800 -0.054 0.000 0.971 561 D HN 0.140 8.781 8.370 0.032 -0.252 0.453 562 E N -0.061 120.043 120.200 -0.159 0.000 2.033 562 E HA -0.357 nan 4.350 nan 0.000 0.199 562 E C 1.001 177.458 176.600 -0.237 0.000 1.011 562 E CA 2.635 58.937 56.400 -0.164 0.000 0.815 562 E CB -0.060 29.562 29.700 -0.129 0.000 0.755 562 E HN -0.698 7.784 8.360 -0.092 -0.178 0.451 563 D N -3.989 116.226 120.400 -0.307 0.000 2.219 563 D HA -0.015 nan 4.640 nan 0.000 0.205 563 D C 0.775 176.844 176.300 -0.385 0.000 0.970 563 D CA 1.429 55.234 54.000 -0.326 0.000 0.851 563 D CB 0.454 41.084 40.800 -0.284 0.000 0.943 563 D HN -0.361 7.720 8.370 -0.301 0.109 0.488 564 T N 2.494 116.708 114.554 -0.567 0.000 2.800 564 T HA -0.078 nan 4.350 nan 0.000 0.266 564 T C 0.954 175.495 174.700 -0.265 0.000 0.939 564 T CA 1.829 63.626 62.100 -0.506 0.000 1.199 564 T CB -0.544 67.946 68.868 -0.629 0.000 0.899 564 T HN -0.403 7.242 8.240 -0.622 0.222 0.555 565 V N 8.468 128.266 119.914 -0.193 0.000 2.575 565 V HA 0.070 nan 4.120 nan 0.000 0.242 565 V C -0.062 175.973 176.094 -0.100 0.000 1.045 565 V CA 1.389 63.615 62.300 -0.123 0.000 1.065 565 V CB 0.701 32.472 31.823 -0.086 0.000 0.717 565 V HN 0.192 8.231 8.190 -0.202 0.029 0.467 566 A N -1.840 120.920 122.820 -0.100 0.000 2.264 566 A HA 0.308 nan 4.320 nan 0.000 0.304 566 A C 0.727 178.261 177.584 -0.084 0.000 1.100 566 A CA -0.967 51.025 52.037 -0.076 0.000 0.839 566 A CB 2.315 21.276 19.000 -0.066 0.000 1.121 566 A HN -0.751 7.234 8.150 -0.116 0.096 0.496 567 G N -0.908 107.851 108.800 -0.068 0.000 2.699 567 G HA2 -0.109 nan 3.960 nan 0.000 0.214 567 G HA3 -0.109 nan 3.960 nan 0.000 0.214 567 G C -0.165 174.691 174.900 -0.072 0.000 1.350 567 G CA 1.499 46.552 45.100 -0.078 0.000 0.873 567 G HN 0.556 8.814 8.290 -0.054 0.000 0.570 568 L N -1.633 119.564 121.223 -0.043 0.000 2.235 568 L HA 0.487 nan 4.340 nan 0.000 0.260 568 L C -0.051 176.824 176.870 0.008 0.000 1.025 568 L CA -0.762 54.067 54.840 -0.018 0.000 0.836 568 L CB 2.424 44.489 42.059 0.009 0.000 1.395 568 L HN -0.277 7.932 8.230 -0.035 0.000 0.443 569 S N -0.873 114.852 115.700 0.041 0.000 3.325 569 S HA 0.106 nan 4.470 nan 0.000 0.254 569 S C -0.039 174.580 174.600 0.031 0.000 1.084 569 S CA 0.364 58.582 58.200 0.030 0.000 0.786 569 S CB 1.018 64.239 63.200 0.036 0.000 0.849 569 S HN -0.053 8.303 8.310 0.077 0.000 0.483 570 E N 4.291 124.520 120.200 0.047 0.000 1.881 570 E HA -0.016 nan 4.350 nan 0.000 0.264 570 E C -0.948 175.665 176.600 0.021 0.000 1.243 570 E CA 0.531 56.948 56.400 0.029 0.000 0.965 570 E CB -0.875 28.840 29.700 0.026 0.000 1.055 570 E HN 0.185 8.590 8.360 0.075 0.000 0.412 571 N N 0.858 119.565 118.700 0.013 0.000 3.179 571 N HA 0.045 nan 4.740 nan 0.000 0.250 571 N C -1.798 173.716 175.510 0.006 0.000 1.507 571 N CA -1.365 51.690 53.050 0.008 0.000 0.883 571 N CB 1.521 40.013 38.487 0.008 0.000 1.435 571 N HN -0.149 8.213 8.380 0.013 0.026 0.532 572 A N 0.072 122.894 122.820 0.004 0.000 2.505 572 A HA 0.029 nan 4.320 nan 0.000 0.271 572 A C -1.308 176.281 177.584 0.008 0.000 1.112 572 A CA 0.624 52.665 52.037 0.007 0.000 0.781 572 A CB -0.261 18.742 19.000 0.005 0.000 1.059 572 A HN 0.351 8.502 8.150 0.002 0.000 0.508 573 V N 3.038 122.960 119.914 0.014 0.000 3.088 573 V HA 0.036 nan 4.120 nan 0.000 0.272 573 V C -1.335 174.774 176.094 0.024 0.000 1.611 573 V CA -0.365 61.943 62.300 0.012 0.000 0.990 573 V CB 4.166 35.991 31.823 0.004 0.000 1.234 573 V HN -0.347 7.854 8.190 0.019 0.000 0.453 574 C N 8.999 128.313 119.300 0.024 0.000 3.183 574 C HA 0.215 nan 4.460 nan 0.000 0.545 574 C C -0.062 174.952 174.990 0.040 0.000 1.044 574 C CA -0.319 58.721 59.018 0.038 0.000 1.117 574 C CB -3.068 24.682 27.740 0.016 0.000 1.393 574 C HN 0.445 8.681 8.230 0.011 0.000 0.611 575 S N 2.886 118.610 115.700 0.040 0.000 2.559 575 S HA 0.082 nan 4.470 nan 0.000 0.226 575 S C 0.637 175.265 174.600 0.047 0.000 1.000 575 S CA 0.391 58.612 58.200 0.036 0.000 0.948 575 S CB 0.342 63.553 63.200 0.017 0.000 0.870 575 S HN 0.161 8.452 8.310 0.040 0.043 0.497 576 D N 2.838 123.273 120.400 0.059 0.000 2.103 576 D HA -0.218 nan 4.640 nan 0.000 0.190 576 D C 0.713 177.052 176.300 0.064 0.000 0.997 576 D CA 2.673 56.705 54.000 0.054 0.000 0.833 576 D CB -0.250 40.590 40.800 0.067 0.000 0.961 576 D HN -0.086 8.324 8.370 0.067 0.000 0.447 577 A N -0.831 122.052 122.820 0.105 0.000 2.916 577 A HA 0.126 nan 4.320 nan 0.000 0.254 577 A C 1.285 178.958 177.584 0.148 0.000 1.544 577 A CA -0.383 51.729 52.037 0.126 0.000 1.224 577 A CB -1.388 17.743 19.000 0.217 0.000 1.012 577 A HN -0.146 8.079 8.150 0.124 0.000 0.636 578 V N -2.171 117.798 119.914 0.091 0.000 2.380 578 V HA -0.444 nan 4.120 nan 0.000 0.251 578 V C 1.318 177.522 176.094 0.184 0.000 1.063 578 V CA 2.727 65.073 62.300 0.076 0.000 1.055 578 V CB -1.216 30.575 31.823 -0.053 0.000 0.657 578 V HN 0.257 8.405 8.190 0.057 0.077 0.455 579 S N 2.874 118.696 115.700 0.202 0.000 2.363 579 S HA -0.257 nan 4.470 nan 0.000 0.218 579 S C 1.633 176.633 174.600 0.667 0.000 1.035 579 S CA 3.151 61.603 58.200 0.421 0.000 1.043 579 S CB 0.072 63.358 63.200 0.143 0.000 0.986 579 S HN 0.162 8.424 8.310 0.085 0.099 0.423 580 Y N -2.597 117.913 120.300 0.351 0.000 2.583 580 Y HA 0.031 nan 4.550 nan 0.000 0.293 580 Y C 0.068 176.279 175.900 0.518 0.000 1.157 580 Y CA -0.104 58.184 58.100 0.314 0.000 1.315 580 Y CB -0.294 38.235 38.460 0.115 0.000 1.021 580 Y HN 0.082 8.514 8.280 0.253 0.000 0.536 581 C N -4.815 114.898 119.300 0.688 0.000 3.217 581 C HA 0.345 nan 4.460 nan 0.000 0.220 581 C C -0.204 175.080 174.990 0.490 0.000 2.519 581 C CA -0.320 59.094 59.018 0.660 0.000 1.255 581 C CB 3.208 31.299 27.740 0.585 0.000 1.291 581 C HN -0.622 7.864 8.230 0.605 0.107 0.714 582 G N 0.201 109.217 108.800 0.360 0.000 2.240 582 G HA2 -0.084 nan 3.960 nan 0.000 0.199 582 G HA3 -0.084 nan 3.960 nan 0.000 0.199 582 G C -2.643 172.338 174.900 0.136 0.000 1.342 582 G CA -0.095 45.160 45.100 0.258 0.000 1.145 582 G HN 0.106 8.592 8.290 0.326 0.000 0.477 583 A N -0.320 122.553 122.820 0.089 0.000 2.609 583 A HA 0.245 nan 4.320 nan 0.000 0.291 583 A C -1.904 175.688 177.584 0.015 0.000 1.096 583 A CA -0.887 51.173 52.037 0.038 0.000 0.684 583 A CB 2.489 21.497 19.000 0.013 0.000 1.282 583 A HN 0.052 8.267 8.150 0.108 0.000 0.412 584 R N -0.553 119.942 120.500 -0.009 0.000 2.407 584 R HA 0.159 nan 4.340 nan 0.000 0.303 584 R C 0.010 176.295 176.300 -0.025 0.000 0.981 584 R CA -0.486 55.595 56.100 -0.032 0.000 0.905 584 R CB 1.392 31.659 30.300 -0.056 0.000 1.099 584 R HN 0.469 8.735 8.270 -0.007 0.000 0.459 585 D N 1.020 121.403 120.400 -0.029 0.000 2.713 585 D HA -0.333 nan 4.640 nan 0.000 0.231 585 D C -1.144 175.152 176.300 -0.007 0.000 1.173 585 D CA 1.841 55.830 54.000 -0.019 0.000 0.628 585 D CB -0.716 40.075 40.800 -0.015 0.000 1.033 585 D HN 0.345 8.687 8.370 -0.045 0.000 0.419 586 D N -2.143 118.257 120.400 0.000 0.000 2.732 586 D HA 0.283 nan 4.640 nan 0.000 0.292 586 D C -1.367 174.947 176.300 0.024 0.000 1.135 586 D CA -1.182 52.821 54.000 0.004 0.000 1.071 586 D CB 2.345 43.142 40.800 -0.005 0.000 1.457 586 D HN -0.393 7.968 8.370 0.004 0.011 0.547 587 R N -1.172 119.342 120.500 0.023 0.000 2.705 587 R HA 0.182 nan 4.340 nan 0.000 0.246 587 R C -0.404 175.943 176.300 0.078 0.000 1.142 587 R CA -2.031 54.103 56.100 0.057 0.000 1.114 587 R CB 1.610 31.932 30.300 0.038 0.000 1.256 587 R HN -0.137 8.135 8.270 0.003 0.000 0.536 588 Y N 2.111 122.420 120.300 0.014 0.000 2.587 588 Y HA 0.091 nan 4.550 nan 0.000 0.344 588 Y C -1.312 174.580 175.900 -0.013 0.000 1.061 588 Y CA -1.141 56.967 58.100 0.014 0.000 1.370 588 Y CB 0.465 38.928 38.460 0.005 0.000 1.163 588 Y HN 0.154 8.566 8.280 0.219 0.000 0.527 589 P HA -0.271 nan 4.420 nan 0.000 0.224 589 P C -1.726 175.474 177.300 -0.167 0.000 1.142 589 P CA 1.446 64.416 63.100 -0.216 0.000 0.778 589 P CB -0.064 31.503 31.700 -0.223 0.000 0.764 590 D N -3.753 116.562 120.400 -0.141 0.000 2.391 590 D HA 0.194 nan 4.640 nan 0.000 0.245 590 D C -0.483 175.825 176.300 0.014 0.000 1.069 590 D CA -2.333 51.634 54.000 -0.055 0.000 0.831 590 D CB 2.617 43.429 40.800 0.021 0.000 1.204 590 D HN -0.580 7.611 8.370 -0.109 0.114 0.503 591 K N 6.340 126.677 120.400 -0.105 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.614 177.110 176.600 -0.173 0.000 1.050 591 K CA 1.949 58.151 56.287 -0.142 0.000 0.927 591 K CB 0.264 32.640 32.500 -0.206 0.000 0.714 591 K HN -0.093 8.065 8.250 -0.153 0.000 0.447 592 K N -2.353 117.890 120.400 -0.261 0.000 2.168 592 K HA -0.022 nan 4.320 nan 0.000 0.258 592 K C -0.089 176.390 176.600 -0.202 0.000 1.010 592 K CA -0.478 55.575 56.287 -0.389 0.000 0.929 592 K CB 0.580 32.527 32.500 -0.921 0.000 0.998 592 K HN -0.619 7.768 8.250 -0.234 -0.277 0.479 593 A N 2.180 124.909 122.820 -0.153 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.130 177.382 177.584 -0.120 0.000 1.061 593 A CA 0.432 52.418 52.037 -0.084 0.000 0.758 593 A CB 0.479 19.515 19.000 0.060 0.000 0.991 593 A HN 0.438 8.486 8.150 -0.170 0.000 0.502 594 M N 3.470 122.842 119.600 -0.381 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.867 176.877 176.300 -0.484 0.000 1.653 594 M CA 1.958 56.787 55.300 -0.785 0.000 1.138 594 M CB -0.561 31.085 32.600 -1.591 0.000 1.995 594 M HN 0.427 8.477 8.290 -0.400 0.000 0.459 595 G N 1.392 110.162 108.800 -0.050 0.000 3.134 595 G HA2 -0.193 nan 3.960 nan 0.000 0.195 595 G HA3 -0.193 nan 3.960 nan 0.000 0.195 595 G C -0.673 174.410 174.900 0.306 0.000 1.054 595 G CA -0.534 44.757 45.100 0.318 0.000 0.828 595 G HN -0.050 8.230 8.290 -0.016 0.000 0.462 596 F N 5.393 125.360 119.950 0.029 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.788 173.845 175.800 -0.278 0.000 1.004 596 F CA -0.261 57.647 58.000 -0.153 0.000 1.177 596 F CB 0.837 39.737 39.000 -0.168 0.000 0.974 596 F HN -0.324 8.145 8.300 0.282 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.038 176.784 177.300 -0.924 0.000 1.151 597 P CA 2.008 64.095 63.100 -1.688 0.000 0.787 597 P CB 0.144 30.783 31.700 -1.768 0.000 0.788 598 F N -2.294 117.401 119.950 -0.425 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.063 175.717 175.800 -0.033 0.000 1.204 598 F CA -0.965 56.828 58.000 -0.345 0.000 1.417 598 F CB -1.968 36.608 39.000 -0.707 0.000 1.001 598 F HN 0.129 7.794 8.300 -0.833 0.135 0.508 599 D N 0.300 120.815 120.400 0.190 0.000 2.137 599 D HA -0.158 nan 4.640 nan 0.000 0.202 599 D C 0.591 177.006 176.300 0.191 0.000 0.970 599 D CA 2.436 56.596 54.000 0.268 0.000 0.837 599 D CB 0.248 41.243 40.800 0.326 0.000 0.981 599 D HN -0.079 8.272 8.370 0.143 0.105 0.475 600 R N -1.414 119.176 120.500 0.150 0.000 2.719 600 R HA 0.169 nan 4.340 nan 0.000 0.233 600 R C -1.318 174.981 176.300 -0.001 0.000 1.257 600 R CA -1.109 55.007 56.100 0.026 0.000 1.109 600 R CB 1.699 31.919 30.300 -0.134 0.000 1.447 600 R HN -0.889 7.521 8.270 0.233 0.000 0.537 601 K N -0.232 120.146 120.400 -0.037 0.000 2.401 601 K HA -0.130 nan 4.320 nan 0.000 0.278 601 K C -0.155 176.433 176.600 -0.021 0.000 1.018 601 K CA 0.887 57.158 56.287 -0.027 0.000 0.981 601 K CB 0.130 32.611 32.500 -0.031 0.000 0.933 601 K HN 0.183 8.396 8.250 -0.061 0.000 0.477 602 I N 6.710 127.255 120.570 -0.040 0.000 2.389 602 I HA -0.006 nan 4.170 nan 0.000 0.288 602 I C -0.954 175.163 176.117 -0.000 0.000 0.999 602 I CA -0.715 60.553 61.300 -0.053 0.000 1.129 602 I CB 1.072 38.931 38.000 -0.235 0.000 1.288 602 I HN 0.331 8.858 8.210 -0.038 -0.339 0.444 603 E N 6.306 126.534 120.200 0.047 0.000 2.358 603 E HA -0.114 nan 4.350 nan 0.000 0.195 603 E C -0.266 176.367 176.600 0.054 0.000 1.010 603 E CA 0.835 57.265 56.400 0.049 0.000 0.856 603 E CB 0.312 30.050 29.700 0.064 0.000 0.795 603 E HN 0.437 8.843 8.360 0.078 0.000 0.504 604 A N -2.457 120.407 122.820 0.075 0.000 2.302 604 A HA 0.228 nan 4.320 nan 0.000 0.285 604 A C 0.136 177.755 177.584 0.059 0.000 1.105 604 A CA 0.070 52.162 52.037 0.091 0.000 0.816 604 A CB 0.873 19.974 19.000 0.168 0.000 1.067 604 A HN -0.404 7.720 8.150 0.079 0.073 0.489 605 R N -1.737 118.797 120.500 0.055 0.000 2.265 605 R HA 0.149 nan 4.340 nan 0.000 0.194 605 R C 0.192 176.511 176.300 0.032 0.000 0.931 605 R CA -0.351 55.769 56.100 0.032 0.000 1.032 605 R CB 0.262 30.576 30.300 0.023 0.000 0.980 605 R HN -0.079 8.706 8.270 0.065 -0.476 0.497 606 T N -1.924 112.665 114.554 0.058 0.000 2.887 606 T HA 0.329 nan 4.350 nan 0.000 0.288 606 T C -0.550 174.229 174.700 0.131 0.000 1.021 606 T CA -1.891 60.244 62.100 0.059 0.000 1.000 606 T CB 2.753 71.640 68.868 0.033 0.000 1.034 606 T HN -0.633 7.883 8.240 0.076 -0.230 0.467 607 A N 7.737 130.640 122.820 0.140 0.000 2.084 607 A HA -0.223 nan 4.320 nan 0.000 0.221 607 A C 0.600 178.334 177.584 0.249 0.000 1.161 607 A CA 2.844 55.057 52.037 0.295 0.000 0.653 607 A CB -0.263 18.881 19.000 0.241 0.000 0.802 607 A HN 0.513 8.709 8.150 0.077 0.000 0.457 608 A N -2.305 120.580 122.820 0.107 0.000 1.929 608 A HA -0.206 nan 4.320 nan 0.000 0.216 608 A C 2.378 180.048 177.584 0.145 0.000 1.176 608 A CA 2.299 54.383 52.037 0.079 0.000 0.628 608 A CB 0.128 19.143 19.000 0.025 0.000 0.816 608 A HN -0.274 7.885 8.150 0.068 0.032 0.444 609 E N -0.198 120.104 120.200 0.169 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.747 178.494 176.600 0.245 0.000 0.988 609 E CA 2.339 58.842 56.400 0.172 0.000 0.811 609 E CB -0.139 29.657 29.700 0.159 0.000 0.746 609 E HN -0.431 7.912 8.360 0.160 0.114 0.466 610 F N -2.654 117.389 119.950 0.156 0.000 2.699 610 F HA -0.170 nan 4.527 nan 0.000 0.298 610 F C -0.543 175.385 175.800 0.214 0.000 1.154 610 F CA 0.574 58.685 58.000 0.185 0.000 1.457 610 F CB 0.752 39.911 39.000 0.264 0.000 1.106 610 F HN -0.947 7.615 8.300 0.465 0.017 0.585 611 L N 1.134 122.508 121.223 0.252 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.913 175.976 176.870 0.031 0.000 1.141 611 L CA 0.136 55.080 54.840 0.174 0.000 0.905 611 L CB 0.311 42.448 42.059 0.130 0.000 1.202 611 L HN -0.707 7.486 8.230 0.260 0.193 0.473 612 T N 3.580 118.117 114.554 -0.028 0.000 2.918 612 T HA 0.484 nan 4.350 nan 0.000 0.283 612 T C -0.678 174.038 174.700 0.026 0.000 1.001 612 T CA -2.941 59.139 62.100 -0.034 0.000 1.041 612 T CB -0.088 68.723 68.868 -0.095 0.000 1.028 612 T HN -0.418 7.783 8.240 -0.064 0.000 0.511 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.991 176.347 177.300 0.063 0.000 1.172 613 P CA 1.544 64.668 63.100 0.039 0.000 0.759 613 P CB -0.403 31.309 31.700 0.019 0.000 0.843 614 N N -6.258 112.490 118.700 0.080 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.803 173.775 175.510 0.114 0.000 1.165 614 N CA -1.022 52.104 53.050 0.126 0.000 0.873 614 N CB 0.132 38.746 38.487 0.212 0.000 1.125 614 N HN 0.193 8.534 8.380 0.056 0.074 0.513 615 M N -0.776 118.909 119.600 0.141 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.462 175.019 176.300 0.302 0.000 1.229 615 M CA -0.355 55.107 55.300 0.269 0.000 0.860 615 M CB 5.334 38.144 32.600 0.350 0.000 1.741 615 M HN -0.003 8.211 8.290 0.123 0.150 0.462 616 G N 0.213 109.252 108.800 0.398 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.002 171.935 174.900 0.062 0.000 1.359 616 G CA 0.401 45.596 45.100 0.158 0.000 1.232 616 G HN 0.234 8.931 8.290 0.678 0.000 0.597 617 L N 3.380 124.463 121.223 -0.233 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.214 176.870 -0.038 0.000 1.065 617 L CA -0.406 54.283 54.840 -0.251 0.000 0.806 617 L CB 1.186 42.994 42.059 -0.419 0.000 1.175 617 L HN 0.264 8.348 8.230 -0.243 0.000 0.431 618 T N 6.327 120.918 114.554 0.061 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.304 173.444 174.700 0.079 0.000 1.033 618 T CA -0.661 61.488 62.100 0.081 0.000 0.991 618 T CB 0.904 69.860 68.868 0.146 0.000 0.981 618 T HN 0.449 8.641 8.240 0.113 0.116 0.457 619 D N 6.194 126.615 120.400 0.035 0.000 2.371 619 D HA 0.047 nan 4.640 nan 0.000 0.256 619 D C -0.728 175.605 176.300 0.055 0.000 1.193 619 D CA -0.169 53.849 54.000 0.030 0.000 0.881 619 D CB 0.274 41.061 40.800 -0.021 0.000 1.143 619 D HN 0.213 8.593 8.370 0.017 0.000 0.473 620 I N -3.730 116.894 120.570 0.089 0.000 2.785 620 I HA 0.483 nan 4.170 nan 0.000 0.302 620 I C -1.456 174.729 176.117 0.114 0.000 1.069 620 I CA -2.874 58.472 61.300 0.077 0.000 1.045 620 I CB 3.397 41.425 38.000 0.048 0.000 1.236 620 I HN -0.436 7.843 8.210 0.116 0.000 0.429 621 K N 1.198 121.636 120.400 0.062 0.000 2.118 621 K HA 0.750 nan 4.320 nan 0.000 0.254 621 K C -1.011 175.580 176.600 -0.015 0.000 0.961 621 K CA -2.337 53.999 56.287 0.081 0.000 0.876 621 K CB 1.823 34.351 32.500 0.047 0.000 1.077 621 K HN 0.426 8.580 8.250 0.026 0.111 0.440 622 I N 1.118 121.686 120.570 -0.002 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.070 174.046 176.117 -0.002 0.000 1.032 622 I CA -0.973 60.266 61.300 -0.101 0.000 1.073 622 I CB 2.969 40.795 38.000 -0.291 0.000 1.251 622 I HN 0.721 9.006 8.210 0.125 0.000 0.426 623 K N 3.425 123.823 120.400 -0.003 0.000 2.471 623 K HA 0.553 nan 4.320 nan 0.000 0.252 623 K C -1.597 175.066 176.600 0.105 0.000 0.938 623 K CA -2.370 53.939 56.287 0.036 0.000 0.796 623 K CB 3.033 35.515 32.500 -0.029 0.000 1.161 623 K HN 0.506 8.738 8.250 -0.030 0.000 0.425 624 F N 6.651 126.619 119.950 0.030 0.000 2.502 624 F HA -0.047 nan 4.527 nan 0.000 0.371 624 F C -1.469 174.427 175.800 0.161 0.000 1.083 624 F CA -1.161 56.872 58.000 0.056 0.000 1.174 624 F CB 0.554 39.556 39.000 0.004 0.000 1.096 624 F HN 0.302 8.635 8.300 0.272 0.130 0.545 625 H N 10.816 129.520 119.070 -0.609 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.304 174.378 175.328 -1.076 0.000 1.102 625 H CA -0.006 55.700 56.048 -0.571 0.000 1.482 625 H CB -0.184 29.354 29.762 -0.374 0.000 1.542 625 H HN 0.166 8.135 8.280 -0.345 0.104 0.498 626 G N 0.000 108.211 108.800 -0.982 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.668 45.100 -0.719 0.000 0.502 626 G HN 0.000 7.995 8.290 -0.491 0.000 0.925