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 1bll_1_E DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KXXXEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ 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 0.000 174.679 174.700 -0.035 0.000 1.109 1 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 1 T CB 0.000 68.816 68.868 -0.086 0.000 0.612 2 K N 1.948 122.317 120.400 -0.051 0.000 2.296 2 K HA 0.828 5.148 4.320 -0.001 0.000 0.243 2 K C 0.232 176.919 176.600 0.146 0.000 1.082 2 K CA -0.485 55.829 56.287 0.046 0.000 0.929 2 K CB 0.366 32.906 32.500 0.066 0.000 1.353 2 K HN 0.315 nan 8.250 nan 0.000 0.536 3 G N -0.421 108.480 108.800 0.169 0.000 2.509 3 G HA2 0.604 4.564 3.960 -0.001 0.000 0.328 3 G HA3 0.604 4.564 3.960 -0.001 0.000 0.328 3 G C -1.627 173.353 174.900 0.134 0.000 1.194 3 G CA -0.677 44.520 45.100 0.161 0.000 0.967 3 G HN 0.409 nan 8.290 nan 0.000 0.488 4 L N 0.585 121.766 121.223 -0.071 0.000 2.476 4 L HA 0.583 4.923 4.340 -0.001 0.000 0.269 4 L C -0.913 175.757 176.870 -0.333 0.000 0.965 4 L CA -0.582 54.038 54.840 -0.366 0.000 0.845 4 L CB 2.200 43.701 42.059 -0.930 0.000 1.259 4 L HN 0.328 nan 8.230 nan 0.000 0.403 5 V N 5.888 125.639 119.914 -0.272 0.000 2.407 5 V HA 0.525 4.645 4.120 -0.001 0.000 0.278 5 V C -0.435 175.503 176.094 -0.260 0.000 1.037 5 V CA -0.402 61.775 62.300 -0.207 0.000 0.900 5 V CB 1.391 33.151 31.823 -0.104 0.000 0.983 5 V HN 0.571 nan 8.190 nan 0.000 0.459 6 L N 4.358 125.441 121.223 -0.232 0.000 2.365 6 L HA 0.875 5.214 4.340 -0.001 0.000 0.273 6 L C 0.432 177.249 176.870 -0.088 0.000 1.000 6 L CA 0.218 54.936 54.840 -0.202 0.000 0.819 6 L CB 1.924 43.828 42.059 -0.258 0.000 1.284 6 L HN 0.703 nan 8.230 nan 0.000 0.418 7 G N 3.281 112.043 108.800 -0.063 0.000 2.471 7 G HA2 0.722 4.682 3.960 -0.001 0.000 0.332 7 G HA3 0.722 4.682 3.960 -0.001 0.000 0.332 7 G C -1.487 173.360 174.900 -0.089 0.000 1.176 7 G CA -0.390 44.645 45.100 -0.109 0.000 0.949 7 G HN 0.647 nan 8.290 nan 0.000 0.488 8 I N -0.465 119.937 120.570 -0.281 0.000 2.775 8 I HA 0.484 4.653 4.170 -0.001 0.000 0.295 8 I C -1.308 174.484 176.117 -0.543 0.000 1.287 8 I CA -1.079 59.980 61.300 -0.401 0.000 1.029 8 I CB 1.889 39.669 38.000 -0.367 0.000 1.282 8 I HN 0.483 nan 8.210 nan 0.000 0.426 9 Y N 3.404 123.652 120.300 -0.088 0.000 2.334 9 Y HA 0.411 4.961 4.550 -0.001 0.000 0.325 9 Y C 0.956 176.809 175.900 -0.080 0.000 1.308 9 Y CA -0.370 57.691 58.100 -0.064 0.000 1.389 9 Y CB 0.889 39.320 38.460 -0.047 0.000 1.328 9 Y HN 0.415 nan 8.280 nan 0.000 0.532 10 S N 1.040 116.809 115.700 0.115 0.000 2.576 10 S HA 0.108 4.578 4.470 -0.001 0.000 0.276 10 S C 0.250 174.871 174.600 0.035 0.000 1.339 10 S CA -1.038 57.188 58.200 0.044 0.000 1.039 10 S CB 0.586 63.813 63.200 0.044 0.000 0.902 10 S HN 0.456 nan 8.310 nan 0.000 0.516 16 D N -0.972 119.425 120.400 -0.005 0.000 1.689 16 D HA 0.051 4.690 4.640 -0.001 0.000 0.643 16 D C 0.085 176.381 176.300 -0.007 0.000 0.804 16 D CA 0.082 54.080 54.000 -0.004 0.000 1.125 16 D CB 0.890 41.690 40.800 0.000 0.000 1.506 16 D HN 0.078 nan 8.370 nan 0.000 0.499 17 E N 1.798 121.991 120.200 -0.013 0.000 2.275 17 E HA 0.349 4.699 4.350 -0.001 0.000 0.270 17 E C -2.754 173.818 176.600 -0.046 0.000 0.882 17 E CA -2.127 54.256 56.400 -0.028 0.000 0.758 17 E CB 3.282 32.970 29.700 -0.020 0.000 1.195 17 E HN -0.068 nan 8.360 nan 0.000 0.419 18 P HA -0.130 nan 4.420 nan 0.000 0.264 18 P C -0.815 176.392 177.300 -0.156 0.000 1.179 18 P CA 0.321 63.366 63.100 -0.092 0.000 0.763 18 P CB 0.671 32.300 31.700 -0.119 0.000 0.806 19 Q N 1.767 121.531 119.800 -0.059 0.000 2.266 19 Q HA 0.426 4.765 4.340 -0.001 0.000 0.261 19 Q C -0.026 175.948 176.000 -0.042 0.000 0.985 19 Q CA -0.666 55.125 55.803 -0.019 0.000 0.873 19 Q CB 0.849 29.652 28.738 0.109 0.000 1.306 19 Q HN 0.353 nan 8.270 nan 0.000 0.447 20 F N 0.103 120.105 119.950 0.086 0.000 2.378 20 F HA 0.194 4.720 4.527 -0.001 0.000 0.319 20 F C 1.344 177.198 175.800 0.090 0.000 1.155 20 F CA -0.082 57.934 58.000 0.027 0.000 1.157 20 F CB 0.521 39.532 39.000 0.017 0.000 1.252 20 F HN 0.249 nan 8.300 nan 0.000 0.550 21 T N 0.419 115.128 114.554 0.259 0.000 2.856 21 T HA 0.028 4.377 4.350 -0.001 0.000 0.306 21 T C 1.333 176.147 174.700 0.190 0.000 1.062 21 T CA 0.270 62.501 62.100 0.219 0.000 1.083 21 T CB 0.783 69.714 68.868 0.105 0.000 0.984 21 T HN 0.740 nan 8.240 nan 0.000 0.542 22 S N 1.368 117.155 115.700 0.144 0.000 2.400 22 S HA -0.159 4.311 4.470 -0.001 0.000 0.232 22 S C 2.315 176.956 174.600 0.067 0.000 1.025 22 S CA 0.838 59.096 58.200 0.097 0.000 0.993 22 S CB -0.640 62.600 63.200 0.068 0.000 0.808 22 S HN 0.773 nan 8.310 nan 0.000 0.478 23 A N 1.894 124.754 122.820 0.066 0.000 1.933 23 A HA 0.212 4.532 4.320 -0.001 0.000 0.218 23 A C 2.395 179.995 177.584 0.027 0.000 1.175 23 A CA 1.523 53.604 52.037 0.074 0.000 0.628 23 A CB -1.689 17.384 19.000 0.122 0.000 0.814 23 A HN 0.660 nan 8.150 nan 0.000 0.444 24 G N -0.946 107.841 108.800 -0.021 0.000 2.408 24 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 24 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 24 G C 1.473 176.159 174.900 -0.357 0.000 1.150 24 G CA 0.894 45.869 45.100 -0.209 0.000 0.776 24 G HN 0.419 nan 8.290 nan 0.000 0.542 25 E N 0.577 120.715 120.200 -0.103 0.000 2.106 25 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 25 E C 2.246 178.813 176.600 -0.055 0.000 0.984 25 E CA 0.411 56.783 56.400 -0.046 0.000 0.806 25 E CB -0.386 29.368 29.700 0.089 0.000 0.750 25 E HN 0.557 nan 8.360 nan 0.000 0.458 26 N N -0.340 118.349 118.700 -0.018 0.000 2.058 26 N HA -0.171 4.568 4.740 -0.001 0.000 0.191 26 N C 1.993 177.482 175.510 -0.035 0.000 1.037 26 N CA 0.876 53.919 53.050 -0.011 0.000 0.848 26 N CB -0.223 38.276 38.487 0.020 0.000 1.021 26 N HN 0.049 nan 8.380 nan 0.000 0.422 27 F N 2.272 122.129 119.950 -0.155 0.000 2.126 27 F HA -0.178 4.349 4.527 -0.001 0.000 0.299 27 F C 2.295 177.979 175.800 -0.194 0.000 1.096 27 F CA 1.587 59.476 58.000 -0.186 0.000 1.255 27 F CB -0.605 38.230 39.000 -0.275 0.000 0.997 27 F HN 0.126 nan 8.300 nan 0.000 0.479 28 N N 0.435 119.028 118.700 -0.178 0.000 2.120 28 N HA -0.200 4.539 4.740 -0.001 0.000 0.188 28 N C 1.710 177.104 175.510 -0.194 0.000 1.024 28 N CA 1.724 54.641 53.050 -0.221 0.000 0.852 28 N CB -0.203 38.139 38.487 -0.242 0.000 1.003 28 N HN 0.270 nan 8.380 nan 0.000 0.424 29 K N -0.317 119.995 120.400 -0.146 0.000 2.097 29 K HA -0.062 4.258 4.320 -0.001 0.000 0.206 29 K C 1.652 178.169 176.600 -0.139 0.000 1.049 29 K CA 0.586 56.807 56.287 -0.109 0.000 0.933 29 K CB -0.152 32.307 32.500 -0.069 0.000 0.717 29 K HN 0.168 nan 8.250 nan 0.000 0.442 30 L N 0.807 121.905 121.223 -0.209 0.000 2.191 30 L HA -0.085 4.254 4.340 -0.001 0.000 0.212 30 L C 1.665 178.390 176.870 -0.242 0.000 1.103 30 L CA 1.709 56.411 54.840 -0.230 0.000 0.769 30 L CB -0.265 41.596 42.059 -0.329 0.000 0.908 30 L HN 0.071 nan 8.230 nan 0.000 0.438 31 V N -4.578 115.139 119.914 -0.328 0.000 3.121 31 V HA 0.312 4.432 4.120 -0.001 0.000 0.344 31 V C 0.911 176.921 176.094 -0.140 0.000 1.390 31 V CA -0.078 62.084 62.300 -0.230 0.000 1.177 31 V CB -0.169 31.457 31.823 -0.327 0.000 1.163 31 V HN 0.348 nan 8.190 nan 0.000 0.484 32 S N 1.547 117.173 115.700 -0.123 0.000 3.550 32 S HA -0.119 4.351 4.470 -0.001 0.000 0.372 32 S C 1.566 176.126 174.600 -0.066 0.000 0.966 32 S CA 1.490 59.642 58.200 -0.080 0.000 1.229 32 S CB -1.617 61.549 63.200 -0.058 0.000 0.917 32 S HN 2.432 nan 8.310 nan 0.000 0.496 33 G N 0.127 108.881 108.800 -0.076 0.000 2.179 33 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.260 33 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.260 33 G C 0.826 175.694 174.900 -0.053 0.000 0.977 33 G CA 0.709 45.779 45.100 -0.051 0.000 0.641 33 G HN 0.517 nan 8.290 nan 0.000 0.533 34 K N 0.036 120.394 120.400 -0.071 0.000 2.209 34 K HA 0.185 4.505 4.320 -0.001 0.000 0.204 34 K C 2.391 178.933 176.600 -0.096 0.000 1.048 34 K CA 0.959 57.206 56.287 -0.067 0.000 0.940 34 K CB -0.445 32.024 32.500 -0.052 0.000 0.729 34 K HN 0.531 nan 8.250 nan 0.000 0.451 35 L N 0.348 121.514 121.223 -0.094 0.000 2.005 35 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 35 L C 2.504 179.309 176.870 -0.108 0.000 1.072 35 L CA 1.280 56.036 54.840 -0.140 0.000 0.744 35 L CB -0.148 41.864 42.059 -0.078 0.000 0.895 35 L HN 0.077 nan 8.230 nan 0.000 0.433 36 R N 0.244 120.758 120.500 0.023 0.000 2.127 36 R HA -0.240 4.100 4.340 -0.001 0.000 0.238 36 R C 2.156 178.463 176.300 0.012 0.000 1.134 36 R CA 1.866 58.041 56.100 0.126 0.000 0.975 36 R CB -0.213 30.174 30.300 0.145 0.000 0.865 36 R HN 0.449 nan 8.270 nan 0.000 0.447 37 E N -0.712 119.465 120.200 -0.038 0.000 2.076 37 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 37 E C 1.613 178.162 176.600 -0.085 0.000 0.979 37 E CA 1.007 57.380 56.400 -0.046 0.000 0.807 37 E CB -0.049 29.627 29.700 -0.040 0.000 0.761 37 E HN 0.294 nan 8.360 nan 0.000 0.454 38 I N 1.065 121.525 120.570 -0.183 0.000 2.546 38 I HA -0.152 4.018 4.170 -0.001 0.000 0.255 38 I C 1.998 177.944 176.117 -0.285 0.000 1.163 38 I CA 0.662 61.811 61.300 -0.251 0.000 1.457 38 I CB -0.041 37.722 38.000 -0.395 0.000 1.092 38 I HN 0.209 nan 8.210 nan 0.000 0.434 39 L N -0.064 120.967 121.223 -0.319 0.000 2.056 39 L HA -0.247 4.093 4.340 -0.001 0.000 0.207 39 L C 2.064 178.946 176.870 0.021 0.000 1.078 39 L CA 1.834 56.626 54.840 -0.079 0.000 0.749 39 L CB -0.470 41.592 42.059 0.004 0.000 0.901 39 L HN 0.356 nan 8.230 nan 0.000 0.433 40 N N -0.180 118.516 118.700 -0.006 0.000 2.166 40 N HA -0.186 4.554 4.740 -0.001 0.000 0.186 40 N C 1.777 177.301 175.510 0.023 0.000 1.019 40 N CA 1.189 54.246 53.050 0.011 0.000 0.856 40 N CB -0.052 38.437 38.487 0.003 0.000 0.993 40 N HN 0.307 nan 8.380 nan 0.000 0.426 41 I N 0.528 121.110 120.570 0.020 0.000 2.439 41 I HA -0.169 4.001 4.170 -0.001 0.000 0.251 41 I C 2.099 178.256 176.117 0.066 0.000 1.139 41 I CA 0.723 62.045 61.300 0.036 0.000 1.438 41 I CB -0.257 37.761 38.000 0.031 0.000 1.085 41 I HN 0.179 nan 8.210 nan 0.000 0.427 42 S N 0.056 115.819 115.700 0.105 0.000 2.555 42 S HA 0.270 4.740 4.470 -0.001 0.000 0.230 42 S C 1.214 175.872 174.600 0.096 0.000 0.978 42 S CA 0.286 58.573 58.200 0.145 0.000 0.934 42 S CB -0.210 63.166 63.200 0.293 0.000 0.766 42 S HN 0.648 nan 8.310 nan 0.000 0.533 43 G N 2.088 110.931 108.800 0.070 0.000 2.545 43 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.211 43 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.211 43 G C -2.745 172.178 174.900 0.037 0.000 1.167 43 G CA -0.470 44.658 45.100 0.047 0.000 1.151 43 G HN 0.518 nan 8.290 nan 0.000 0.581 44 P HA 0.358 nan 4.420 nan 0.000 0.268 44 P C -2.303 175.008 177.300 0.018 0.000 1.205 44 P CA -0.538 62.573 63.100 0.019 0.000 0.771 44 P CB 0.370 32.079 31.700 0.015 0.000 0.858 45 P HA 0.097 nan 4.420 nan 0.000 0.268 45 P C -0.215 177.082 177.300 -0.004 0.000 1.208 45 P CA -0.023 63.075 63.100 -0.003 0.000 0.777 45 P CB 0.739 32.430 31.700 -0.015 0.000 0.875 46 L N 2.476 123.691 121.223 -0.013 0.000 2.342 46 L HA 0.132 4.472 4.340 -0.001 0.000 0.285 46 L C 1.447 178.303 176.870 -0.023 0.000 1.095 46 L CA -0.414 54.415 54.840 -0.019 0.000 0.843 46 L CB -0.114 41.929 42.059 -0.026 0.000 1.201 46 L HN 0.445 nan 8.230 nan 0.000 0.445 47 K N 3.088 123.481 120.400 -0.012 0.000 2.132 47 K HA 0.579 4.898 4.320 -0.001 0.000 0.240 47 K C 0.177 176.772 176.600 -0.009 0.000 1.036 47 K CA -0.741 55.543 56.287 -0.005 0.000 0.888 47 K CB 0.423 32.925 32.500 0.003 0.000 1.071 47 K HN 0.432 nan 8.250 nan 0.000 0.502 48 A N 0.041 122.861 122.820 0.001 0.000 2.483 48 A HA 0.390 4.709 4.320 -0.001 0.000 0.238 48 A C 1.385 178.967 177.584 -0.003 0.000 1.070 48 A CA 0.356 52.391 52.037 -0.003 0.000 0.770 48 A CB -1.073 17.934 19.000 0.012 0.000 1.008 48 A HN 1.157 nan 8.150 nan 0.000 0.497 49 G N 0.795 109.588 108.800 -0.012 0.000 2.284 49 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.261 49 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.261 49 G C 0.574 175.464 174.900 -0.015 0.000 0.997 49 G CA 0.946 46.041 45.100 -0.007 0.000 0.621 49 G HN 0.786 nan 8.290 nan 0.000 0.534 50 K N 0.623 121.011 120.400 -0.021 0.000 2.107 50 K HA 0.619 4.939 4.320 -0.001 0.000 0.251 50 K C -0.190 176.382 176.600 -0.045 0.000 1.012 50 K CA 0.112 56.383 56.287 -0.028 0.000 0.920 50 K CB 1.069 33.556 32.500 -0.022 0.000 1.033 50 K HN 0.163 nan 8.250 nan 0.000 0.478 51 T N 0.978 115.497 114.554 -0.059 0.000 2.903 51 T HA 0.486 4.836 4.350 -0.001 0.000 0.299 51 T C -1.034 173.582 174.700 -0.140 0.000 1.093 51 T CA -0.668 61.377 62.100 -0.092 0.000 1.002 51 T CB 1.977 70.794 68.868 -0.086 0.000 1.127 51 T HN 0.442 nan 8.240 nan 0.000 0.488 52 R N 0.764 121.127 120.500 -0.229 0.000 2.566 52 R HA 0.598 4.938 4.340 -0.001 0.000 0.271 52 R C -1.472 174.388 176.300 -0.733 0.000 1.071 52 R CA -0.507 55.338 56.100 -0.425 0.000 0.915 52 R CB 1.850 31.912 30.300 -0.398 0.000 1.228 52 R HN 0.657 nan 8.270 nan 0.000 0.449 53 T N 3.425 117.494 114.554 -0.809 0.000 2.829 53 T HA 0.574 4.924 4.350 -0.001 0.000 0.280 53 T C -1.206 172.866 174.700 -1.046 0.000 0.999 53 T CA -0.368 61.237 62.100 -0.826 0.000 0.983 53 T CB 0.743 69.282 68.868 -0.548 0.000 0.968 53 T HN 0.213 nan 8.240 nan 0.000 0.446 54 F N 2.153 121.847 119.950 -0.427 0.000 2.507 54 F HA 0.504 5.030 4.527 -0.001 0.000 0.328 54 F C -0.652 174.954 175.800 -0.324 0.000 1.136 54 F CA -1.491 56.328 58.000 -0.302 0.000 0.930 54 F CB 0.984 39.924 39.000 -0.100 0.000 1.166 54 F HN 0.480 nan 8.300 nan 0.000 0.436 55 Y N 0.347 120.779 120.300 0.220 0.000 2.323 55 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 55 Y C 1.081 177.067 175.900 0.143 0.000 1.092 55 Y CA -1.010 57.177 58.100 0.145 0.000 1.150 55 Y CB 1.606 40.121 38.460 0.092 0.000 1.200 55 Y HN 0.859 nan 8.280 nan 0.000 0.472 56 G N 2.567 111.551 108.800 0.306 0.000 2.249 56 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.273 56 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.273 56 G C 0.625 175.634 174.900 0.181 0.000 1.036 56 G CA 0.569 45.792 45.100 0.205 0.000 0.824 56 G HN 0.739 nan 8.290 nan 0.000 0.504 57 L N -1.184 120.184 121.223 0.241 0.000 2.217 57 L HA 0.144 4.484 4.340 -0.001 0.000 0.211 57 L C 1.281 178.308 176.870 0.261 0.000 1.107 57 L CA 1.017 56.002 54.840 0.242 0.000 0.783 57 L CB -0.023 42.245 42.059 0.349 0.000 0.919 57 L HN 0.566 nan 8.230 nan 0.000 0.442 58 H N -0.819 118.394 119.070 0.238 0.000 3.029 58 H HA 0.092 4.648 4.556 -0.001 0.000 0.358 58 H C 0.100 175.507 175.328 0.133 0.000 1.129 58 H CA -0.395 55.769 56.048 0.194 0.000 1.230 58 H CB 1.673 31.663 29.762 0.380 0.000 1.827 58 H HN -0.061 nan 8.280 nan 0.000 0.530 59 E N 1.917 121.827 120.200 -0.483 0.000 2.208 59 E HA -0.208 4.141 4.350 -0.001 0.000 0.202 59 E C 0.931 177.476 176.600 -0.091 0.000 1.014 59 E CA 1.850 58.099 56.400 -0.252 0.000 0.819 59 E CB 0.279 29.791 29.700 -0.313 0.000 0.735 59 E HN 0.493 nan 8.360 nan 0.000 0.469 60 D N -1.329 119.105 120.400 0.057 0.000 2.301 60 D HA 0.002 4.641 4.640 -0.001 0.000 0.206 60 D C -0.522 175.452 176.300 -0.544 0.000 0.979 60 D CA 0.291 54.144 54.000 -0.245 0.000 0.874 60 D CB 0.359 40.897 40.800 -0.437 0.000 0.968 60 D HN 0.073 nan 8.370 nan 0.000 0.510 61 F N 0.010 120.138 119.950 0.297 0.000 2.451 61 F HA 0.356 4.883 4.527 -0.001 0.000 0.367 61 F C -1.778 174.126 175.800 0.174 0.000 1.100 61 F CA -2.090 56.007 58.000 0.162 0.000 1.171 61 F CB 1.971 41.022 39.000 0.085 0.000 1.405 61 F HN -0.182 nan 8.300 nan 0.000 0.482 62 P HA 0.015 nan 4.420 nan 0.000 0.231 62 P C -0.115 177.350 177.300 0.275 0.000 1.168 62 P CA 0.814 64.043 63.100 0.215 0.000 0.779 62 P CB 0.490 32.276 31.700 0.143 0.000 0.844 63 S N -0.485 115.348 115.700 0.221 0.000 2.519 63 S HA 0.481 4.950 4.470 -0.001 0.000 0.309 63 S C -0.713 173.906 174.600 0.032 0.000 1.100 63 S CA -0.521 57.751 58.200 0.120 0.000 1.059 63 S CB 1.625 64.903 63.200 0.130 0.000 1.008 63 S HN -0.311 nan 8.310 nan 0.000 0.478 64 V N 4.096 123.971 119.914 -0.064 0.000 2.483 64 V HA 0.462 4.582 4.120 -0.001 0.000 0.297 64 V C -0.672 175.327 176.094 -0.159 0.000 1.027 64 V CA -0.632 61.593 62.300 -0.125 0.000 0.855 64 V CB 1.972 33.721 31.823 -0.122 0.000 0.995 64 V HN 0.679 nan 8.190 nan 0.000 0.424 65 V N 5.837 125.640 119.914 -0.186 0.000 2.370 65 V HA 0.451 4.571 4.120 -0.001 0.000 0.283 65 V C -0.069 175.942 176.094 -0.139 0.000 1.023 65 V CA -0.662 61.521 62.300 -0.194 0.000 0.857 65 V CB 1.787 33.514 31.823 -0.161 0.000 0.985 65 V HN 0.573 nan 8.190 nan 0.000 0.443 66 V N 6.180 126.042 119.914 -0.086 0.000 2.407 66 V HA 0.441 4.560 4.120 -0.001 0.000 0.278 66 V C 0.056 176.124 176.094 -0.043 0.000 1.037 66 V CA -0.415 61.892 62.300 0.013 0.000 0.900 66 V CB 1.767 33.737 31.823 0.246 0.000 0.983 66 V HN 0.758 nan 8.190 nan 0.000 0.459 67 V N 2.511 122.392 119.914 -0.056 0.000 2.513 67 V HA 0.922 5.041 4.120 -0.001 0.000 0.299 67 V C 0.497 176.539 176.094 -0.085 0.000 1.035 67 V CA -0.515 61.743 62.300 -0.071 0.000 0.889 67 V CB 1.488 33.266 31.823 -0.074 0.000 0.988 67 V HN 0.845 nan 8.190 nan 0.000 0.440 68 G N 3.426 112.180 108.800 -0.076 0.000 2.349 68 G HA2 0.499 4.458 3.960 -0.001 0.000 0.281 68 G HA3 0.499 4.458 3.960 -0.001 0.000 0.281 68 G C 0.159 175.005 174.900 -0.090 0.000 1.182 68 G CA -0.588 44.461 45.100 -0.086 0.000 0.899 68 G HN 0.897 nan 8.290 nan 0.000 0.455 69 L N 2.696 123.834 121.223 -0.143 0.000 2.640 69 L HA 0.256 4.596 4.340 -0.001 0.000 0.230 69 L C 1.788 178.675 176.870 0.029 0.000 1.123 69 L CA 0.402 55.178 54.840 -0.106 0.000 0.900 69 L CB -0.641 41.251 42.059 -0.278 0.000 1.146 69 L HN 0.901 nan 8.230 nan 0.000 0.484 70 G N 1.317 110.141 108.800 0.040 0.000 2.569 70 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.259 70 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.259 70 G C -0.348 174.669 174.900 0.195 0.000 1.263 70 G CA -0.400 44.753 45.100 0.089 0.000 0.928 70 G HN 0.258 nan 8.290 nan 0.000 0.572 71 K N 1.125 121.602 120.400 0.128 0.000 2.379 71 K HA 0.448 4.767 4.320 -0.001 0.000 0.284 71 K C 1.266 177.896 176.600 0.049 0.000 1.044 71 K CA 0.282 56.619 56.287 0.084 0.000 0.974 71 K CB 0.979 33.494 32.500 0.025 0.000 0.962 71 K HN 0.552 nan 8.250 nan 0.000 0.474 72 K N 0.432 120.733 120.400 -0.166 0.000 2.059 72 K HA -0.187 4.132 4.320 -0.001 0.000 0.212 72 K C 1.241 177.693 176.600 -0.247 0.000 1.050 72 K CA 2.123 58.059 56.287 -0.585 0.000 0.927 72 K CB -0.549 31.441 32.500 -0.850 0.000 0.714 72 K HN 0.754 nan 8.250 nan 0.000 0.447 73 T N -1.249 113.214 114.554 -0.151 0.000 3.188 73 T HA 0.432 4.781 4.350 -0.001 0.000 0.250 73 T C 0.573 175.240 174.700 -0.054 0.000 1.077 73 T CA -0.190 61.858 62.100 -0.087 0.000 0.967 73 T CB -0.089 68.731 68.868 -0.080 0.000 1.006 73 T HN 0.236 nan 8.240 nan 0.000 0.552 74 A N 1.011 123.812 122.820 -0.031 0.000 2.548 74 A HA 0.587 4.907 4.320 -0.001 0.000 0.247 74 A C 0.951 178.473 177.584 -0.103 0.000 1.067 74 A CA 0.163 52.183 52.037 -0.029 0.000 0.757 74 A CB -0.296 18.712 19.000 0.015 0.000 0.996 74 A HN 0.597 nan 8.150 nan 0.000 0.504 75 G N 0.972 109.655 108.800 -0.194 0.000 3.247 75 G HA2 0.518 4.477 3.960 -0.001 0.000 0.226 75 G HA3 0.518 4.477 3.960 -0.001 0.000 0.226 75 G C -0.533 174.136 174.900 -0.385 0.000 1.220 75 G CA -0.925 43.876 45.100 -0.497 0.000 0.875 75 G HN 0.575 nan 8.290 nan 0.000 0.606 76 I N 1.735 122.116 120.570 -0.315 0.000 2.742 76 I HA 0.078 4.247 4.170 -0.001 0.000 0.287 76 I C -0.032 176.095 176.117 0.018 0.000 1.186 76 I CA -0.009 61.249 61.300 -0.071 0.000 1.417 76 I CB 0.590 38.576 38.000 -0.023 0.000 1.377 76 I HN 0.171 nan 8.210 nan 0.000 0.556 77 D N 5.666 126.138 120.400 0.121 0.000 2.280 77 D HA 0.138 4.777 4.640 -0.001 0.000 0.243 77 D C 0.807 177.167 176.300 0.100 0.000 1.129 77 D CA -0.264 53.812 54.000 0.127 0.000 0.848 77 D CB 1.133 42.072 40.800 0.230 0.000 1.107 77 D HN 0.473 nan 8.370 nan 0.000 0.471 78 E N 1.594 121.838 120.200 0.074 0.000 2.208 78 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 78 E C 1.558 178.203 176.600 0.075 0.000 0.988 78 E CA 0.932 57.379 56.400 0.078 0.000 0.828 78 E CB 0.286 30.023 29.700 0.061 0.000 0.763 78 E HN 0.444 nan 8.360 nan 0.000 0.478 79 Q N 0.219 120.050 119.800 0.052 0.000 2.187 79 Q HA -0.052 4.287 4.340 -0.001 0.000 0.199 79 Q C 1.432 177.425 176.000 -0.012 0.000 0.957 79 Q CA 0.941 56.764 55.803 0.033 0.000 0.857 79 Q CB 0.186 28.936 28.738 0.020 0.000 0.929 79 Q HN 0.277 nan 8.270 nan 0.000 0.453 80 E N 0.440 120.589 120.200 -0.085 0.000 2.415 80 E HA 0.062 4.412 4.350 -0.001 0.000 0.197 80 E C -0.289 176.078 176.600 -0.388 0.000 1.007 80 E CA -0.122 56.062 56.400 -0.360 0.000 0.890 80 E CB 0.015 29.346 29.700 -0.616 0.000 0.891 80 E HN 0.437 nan 8.360 nan 0.000 0.496 81 N N 0.926 119.588 118.700 -0.065 0.000 2.727 81 N HA -0.172 4.568 4.740 -0.001 0.000 0.251 81 N C -1.071 174.499 175.510 0.100 0.000 1.040 81 N CA 0.608 53.706 53.050 0.079 0.000 0.712 81 N CB -0.994 37.651 38.487 0.262 0.000 0.912 81 N HN 0.232 nan 8.380 nan 0.000 0.545 82 W N -1.281 120.044 121.300 0.042 0.000 3.025 82 W HA 0.497 5.156 4.660 -0.001 0.000 0.343 82 W C -0.516 176.037 176.519 0.057 0.000 1.246 82 W CA -1.605 55.758 57.345 0.030 0.000 1.178 82 W CB 0.136 29.631 29.460 0.058 0.000 1.463 82 W HN 0.044 nan 8.180 nan 0.000 0.578 83 H N 1.459 120.619 119.070 0.150 0.000 2.767 83 H HA 0.123 4.679 4.556 -0.001 0.000 0.316 83 H C 1.293 176.546 175.328 -0.126 0.000 1.059 83 H CA 1.102 57.162 56.048 0.020 0.000 1.461 83 H CB 1.360 31.094 29.762 -0.047 0.000 1.475 83 H HN 0.669 nan 8.280 nan 0.000 0.531 84 E N 2.836 123.049 120.200 0.022 0.000 2.170 84 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 84 E C 2.026 178.605 176.600 -0.035 0.000 0.981 84 E CA 0.768 57.111 56.400 -0.096 0.000 0.830 84 E CB -0.035 29.693 29.700 0.047 0.000 0.775 84 E HN 0.984 nan 8.360 nan 0.000 0.470 85 G N 1.474 110.384 108.800 0.183 0.000 2.421 85 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.216 85 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.216 85 G C 1.560 176.461 174.900 0.002 0.000 1.171 85 G CA 0.810 45.995 45.100 0.142 0.000 0.775 85 G HN 0.161 nan 8.290 nan 0.000 0.543 86 K N 0.070 120.427 120.400 -0.073 0.000 2.063 86 K HA -0.088 4.231 4.320 -0.001 0.000 0.208 86 K C 2.466 178.896 176.600 -0.282 0.000 1.048 86 K CA 1.285 57.415 56.287 -0.261 0.000 0.928 86 K CB -0.061 32.214 32.500 -0.375 0.000 0.713 86 K HN 0.148 nan 8.250 nan 0.000 0.442 87 E N 0.649 120.648 120.200 -0.335 0.000 2.150 87 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 87 E C 1.663 178.111 176.600 -0.254 0.000 0.985 87 E CA 0.811 56.960 56.400 -0.418 0.000 0.814 87 E CB -0.158 29.024 29.700 -0.864 0.000 0.752 87 E HN 0.273 nan 8.360 nan 0.000 0.466 88 N N 0.639 119.234 118.700 -0.175 0.000 2.142 88 N HA -0.072 4.668 4.740 -0.001 0.000 0.186 88 N C 2.013 177.474 175.510 -0.083 0.000 1.023 88 N CA 0.717 53.715 53.050 -0.086 0.000 0.852 88 N CB -0.163 38.308 38.487 -0.027 0.000 0.998 88 N HN 0.224 nan 8.380 nan 0.000 0.424 89 I N 0.593 121.097 120.570 -0.110 0.000 2.406 89 I HA -0.128 4.042 4.170 -0.001 0.000 0.249 89 I C 2.257 178.277 176.117 -0.162 0.000 1.122 89 I CA 0.625 61.858 61.300 -0.112 0.000 1.431 89 I CB -0.046 37.888 38.000 -0.109 0.000 1.087 89 I HN 0.021 nan 8.210 nan 0.000 0.424 90 R N 0.766 121.105 120.500 -0.270 0.000 2.081 90 R HA -0.140 4.200 4.340 -0.001 0.000 0.235 90 R C 2.424 178.622 176.300 -0.170 0.000 1.131 90 R CA 1.637 57.489 56.100 -0.414 0.000 0.960 90 R CB -0.417 29.287 30.300 -0.993 0.000 0.856 90 R HN 0.359 nan 8.270 nan 0.000 0.436 91 A N 0.720 123.530 122.820 -0.017 0.000 1.929 91 A HA -0.010 4.310 4.320 -0.001 0.000 0.216 91 A C 2.278 179.879 177.584 0.028 0.000 1.176 91 A CA 1.439 53.539 52.037 0.104 0.000 0.628 91 A CB -0.496 18.562 19.000 0.098 0.000 0.816 91 A HN 0.391 nan 8.150 nan 0.000 0.444 92 A N -0.211 122.597 122.820 -0.020 0.000 1.872 92 A HA 0.039 4.358 4.320 -0.001 0.000 0.214 92 A C 2.302 179.866 177.584 -0.034 0.000 1.187 92 A CA 1.883 53.901 52.037 -0.032 0.000 0.614 92 A CB -1.108 17.859 19.000 -0.054 0.000 0.826 92 A HN 1.178 nan 8.150 nan 0.000 0.442 93 V N -2.163 117.727 119.914 -0.040 0.000 3.041 93 V HA 0.156 4.276 4.120 -0.001 0.000 0.260 93 V C 2.273 178.364 176.094 -0.005 0.000 1.105 93 V CA 1.610 63.896 62.300 -0.024 0.000 1.125 93 V CB -0.766 31.053 31.823 -0.007 0.000 0.730 93 V HN 0.508 nan 8.190 nan 0.000 0.479 94 A N 0.900 123.724 122.820 0.008 0.000 1.873 94 A HA 0.091 4.411 4.320 -0.001 0.000 0.215 94 A C 2.526 180.129 177.584 0.031 0.000 1.186 94 A CA 2.158 54.221 52.037 0.043 0.000 0.616 94 A CB -1.127 17.937 19.000 0.106 0.000 0.823 94 A HN 1.013 nan 8.150 nan 0.000 0.442 95 A N -0.555 122.276 122.820 0.019 0.000 1.930 95 A HA 0.154 4.473 4.320 -0.001 0.000 0.217 95 A C 2.361 179.936 177.584 -0.016 0.000 1.175 95 A CA 1.883 53.922 52.037 0.003 0.000 0.627 95 A CB -1.263 17.734 19.000 -0.005 0.000 0.815 95 A HN 0.681 nan 8.150 nan 0.000 0.443 96 G N -0.908 107.876 108.800 -0.025 0.000 2.404 96 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.215 96 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.215 96 G C 1.579 176.462 174.900 -0.027 0.000 1.174 96 G CA 1.246 46.320 45.100 -0.043 0.000 0.780 96 G HN 0.505 nan 8.290 nan 0.000 0.537 97 C N 0.285 119.582 119.300 -0.004 0.000 2.411 97 C HA 0.034 4.493 4.460 -0.001 0.000 0.279 97 C C 2.906 177.904 174.990 0.013 0.000 1.288 97 C CA 0.622 59.648 59.018 0.013 0.000 1.764 97 C CB -0.793 26.968 27.740 0.035 0.000 1.974 97 C HN 0.429 nan 8.230 nan 0.000 0.498 98 R N 0.196 120.702 120.500 0.011 0.000 2.236 98 R HA -0.084 4.256 4.340 -0.001 0.000 0.208 98 R C 2.155 178.456 176.300 0.002 0.000 1.036 98 R CA 0.686 56.792 56.100 0.010 0.000 1.001 98 R CB -0.247 30.060 30.300 0.013 0.000 0.896 98 R HN 0.488 nan 8.270 nan 0.000 0.464 99 Q N 1.070 120.864 119.800 -0.009 0.000 2.123 99 Q HA -0.070 4.269 4.340 -0.001 0.000 0.199 99 Q C 1.786 177.784 176.000 -0.003 0.000 0.966 99 Q CA 1.361 57.154 55.803 -0.016 0.000 0.845 99 Q CB 0.081 28.792 28.738 -0.045 0.000 0.907 99 Q HN 0.141 nan 8.270 nan 0.000 0.439 100 I N 0.623 121.193 120.570 -0.001 0.000 2.252 100 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 100 I C 2.341 178.472 176.117 0.023 0.000 1.102 100 I CA 1.525 62.834 61.300 0.015 0.000 1.385 100 I CB -1.282 36.726 38.000 0.014 0.000 1.064 100 I HN 0.482 nan 8.210 nan 0.000 0.414 101 Q N 0.476 120.287 119.800 0.017 0.000 2.124 101 Q HA -0.268 4.071 4.340 -0.001 0.000 0.202 101 Q C 1.784 177.791 176.000 0.012 0.000 0.977 101 Q CA 1.993 57.804 55.803 0.014 0.000 0.850 101 Q CB -0.007 28.737 28.738 0.010 0.000 0.901 101 Q HN 0.372 nan 8.270 nan 0.000 0.429 102 D N -0.145 120.263 120.400 0.012 0.000 2.264 102 D HA -0.094 4.546 4.640 -0.001 0.000 0.208 102 D C 1.401 177.714 176.300 0.021 0.000 0.966 102 D CA 0.598 54.605 54.000 0.012 0.000 0.864 102 D CB 0.027 40.834 40.800 0.010 0.000 0.933 102 D HN 0.295 nan 8.370 nan 0.000 0.499 103 L N 0.147 121.391 121.223 0.034 0.000 2.610 103 L HA 0.097 4.437 4.340 -0.001 0.000 0.232 103 L C 0.409 177.300 176.870 0.034 0.000 1.149 103 L CA 0.370 55.240 54.840 0.050 0.000 0.872 103 L CB -0.308 41.803 42.059 0.087 0.000 0.992 103 L HN 0.017 nan 8.230 nan 0.000 0.447 104 E N -0.496 119.717 120.200 0.022 0.000 2.722 104 E HA -0.246 4.104 4.350 -0.001 0.000 0.265 104 E C -0.005 176.606 176.600 0.018 0.000 1.081 104 E CA 0.268 56.676 56.400 0.014 0.000 0.781 104 E CB -1.459 28.245 29.700 0.007 0.000 1.372 104 E HN 0.456 nan 8.360 nan 0.000 0.423 105 I N 1.636 122.223 120.570 0.028 0.000 2.396 105 I HA 0.062 4.232 4.170 -0.001 0.000 0.289 105 I C -0.790 175.344 176.117 0.028 0.000 1.056 105 I CA -1.614 59.706 61.300 0.033 0.000 1.365 105 I CB 0.517 38.545 38.000 0.048 0.000 1.407 105 I HN -0.084 nan 8.210 nan 0.000 0.509 106 P HA 0.011 nan 4.420 nan 0.000 0.233 106 P C -0.006 177.313 177.300 0.031 0.000 1.167 106 P CA 0.581 63.694 63.100 0.022 0.000 0.770 106 P CB 0.500 32.210 31.700 0.015 0.000 0.837 107 S N -0.935 114.788 115.700 0.039 0.000 2.549 107 S HA 0.544 5.013 4.470 -0.001 0.000 0.280 107 S C -1.092 173.546 174.600 0.063 0.000 1.109 107 S CA -0.625 57.605 58.200 0.049 0.000 0.905 107 S CB 2.607 65.833 63.200 0.045 0.000 1.081 107 S HN -0.092 nan 8.310 nan 0.000 0.477 108 V N 1.645 121.599 119.914 0.067 0.000 3.012 108 V HA 0.529 4.649 4.120 -0.001 0.000 0.307 108 V C -1.610 174.511 176.094 0.045 0.000 1.166 108 V CA -0.544 61.793 62.300 0.062 0.000 0.974 108 V CB 2.192 34.041 31.823 0.043 0.000 1.040 108 V HN 0.942 nan 8.190 nan 0.000 0.428 109 E N 3.337 123.546 120.200 0.016 0.000 2.151 109 E HA 0.615 4.965 4.350 -0.001 0.000 0.275 109 E C -1.404 175.116 176.600 -0.132 0.000 0.936 109 E CA -0.510 55.863 56.400 -0.045 0.000 0.777 109 E CB 2.183 31.895 29.700 0.020 0.000 1.108 109 E HN 0.544 nan 8.360 nan 0.000 0.401 110 V N 3.136 122.973 119.914 -0.128 0.000 2.459 110 V HA 0.093 4.213 4.120 -0.001 0.000 0.295 110 V C -0.041 176.008 176.094 -0.075 0.000 1.029 110 V CA -0.939 61.324 62.300 -0.062 0.000 0.874 110 V CB 1.756 33.683 31.823 0.172 0.000 0.985 110 V HN 0.656 nan 8.190 nan 0.000 0.438 111 D N 6.980 127.338 120.400 -0.070 0.000 2.417 111 D HA 0.126 4.765 4.640 -0.001 0.000 0.250 111 D C -1.125 175.201 176.300 0.045 0.000 1.166 111 D CA -1.682 52.303 54.000 -0.026 0.000 0.881 111 D CB 1.807 42.565 40.800 -0.071 0.000 1.164 111 D HN 0.272 nan 8.370 nan 0.000 0.467 112 P HA -0.095 nan 4.420 nan 0.000 0.222 112 P C 0.559 177.905 177.300 0.077 0.000 1.147 112 P CA 0.315 63.476 63.100 0.102 0.000 0.790 112 P CB -0.162 31.572 31.700 0.058 0.000 0.780 113 C N -1.792 117.541 119.300 0.055 0.000 4.259 113 C HA -0.080 4.380 4.460 -0.001 0.000 0.294 113 C C 1.734 176.780 174.990 0.094 0.000 1.459 113 C CA 0.730 59.782 59.018 0.056 0.000 2.016 113 C CB -2.811 24.938 27.740 0.015 0.000 1.274 113 C HN 0.623 nan 8.230 nan 0.000 0.792 114 G N -0.444 108.402 108.800 0.078 0.000 2.179 114 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.260 114 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.260 114 G C -0.249 174.660 174.900 0.016 0.000 0.977 114 G CA 0.704 45.840 45.100 0.061 0.000 0.641 114 G HN 0.806 nan 8.290 nan 0.000 0.533 115 D N -0.358 120.042 120.400 0.001 0.000 2.668 115 D HA 0.571 5.211 4.640 -0.001 0.000 0.247 115 D C 1.353 177.628 176.300 -0.042 0.000 1.268 115 D CA 0.519 54.487 54.000 -0.053 0.000 0.842 115 D CB 0.293 41.031 40.800 -0.103 0.000 1.399 115 D HN 0.429 nan 8.370 nan 0.000 0.530 116 A N 2.132 124.958 122.820 0.011 0.000 1.986 116 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 116 A C 1.902 179.480 177.584 -0.010 0.000 1.171 116 A CA 1.568 53.672 52.037 0.111 0.000 0.640 116 A CB -0.210 18.893 19.000 0.171 0.000 0.811 116 A HN 0.580 nan 8.150 nan 0.000 0.451 117 Q N -0.902 118.808 119.800 -0.149 0.000 2.016 117 Q HA -0.083 4.257 4.340 -0.001 0.000 0.200 117 Q C 2.270 178.069 176.000 -0.335 0.000 0.978 117 Q CA 1.348 56.974 55.803 -0.295 0.000 0.833 117 Q CB -0.290 28.233 28.738 -0.359 0.000 0.895 117 Q HN 0.631 nan 8.270 nan 0.000 0.427 118 A N 0.309 122.957 122.820 -0.286 0.000 2.067 118 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 118 A C 2.073 179.500 177.584 -0.261 0.000 1.158 118 A CA 1.419 53.277 52.037 -0.298 0.000 0.661 118 A CB -0.503 18.332 19.000 -0.275 0.000 0.801 118 A HN 0.505 nan 8.150 nan 0.000 0.452 119 A N -0.197 122.517 122.820 -0.177 0.000 1.898 119 A HA 0.313 4.632 4.320 -0.001 0.000 0.214 119 A C 2.447 179.877 177.584 -0.256 0.000 1.183 119 A CA 1.524 53.510 52.037 -0.086 0.000 0.622 119 A CB -0.896 18.185 19.000 0.135 0.000 0.824 119 A HN 0.956 nan 8.150 nan 0.000 0.444 120 A N -0.113 122.327 122.820 -0.634 0.000 1.972 120 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 120 A C 1.877 179.114 177.584 -0.578 0.000 1.169 120 A CA 1.636 52.992 52.037 -1.135 0.000 0.635 120 A CB -0.428 17.647 19.000 -1.542 0.000 0.810 120 A HN 0.637 nan 8.150 nan 0.000 0.446 121 E N -0.693 119.252 120.200 -0.425 0.000 2.046 121 E HA -0.067 4.282 4.350 -0.001 0.000 0.190 121 E C 2.195 178.634 176.600 -0.267 0.000 0.982 121 E CA 0.701 56.914 56.400 -0.311 0.000 0.800 121 E CB -0.357 29.147 29.700 -0.327 0.000 0.756 121 E HN 0.588 nan 8.360 nan 0.000 0.449 122 G N 1.110 109.733 108.800 -0.295 0.000 2.418 122 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 122 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 122 G C 1.645 176.507 174.900 -0.063 0.000 1.158 122 G CA 0.936 45.919 45.100 -0.195 0.000 0.771 122 G HN 0.342 nan 8.290 nan 0.000 0.545 123 A N -0.029 122.744 122.820 -0.079 0.000 1.872 123 A HA 0.171 4.491 4.320 -0.001 0.000 0.214 123 A C 2.558 180.145 177.584 0.005 0.000 1.187 123 A CA 1.718 53.752 52.037 -0.005 0.000 0.614 123 A CB -0.524 18.509 19.000 0.054 0.000 0.826 123 A HN 0.246 nan 8.150 nan 0.000 0.442 124 V N -0.283 119.600 119.914 -0.051 0.000 2.548 124 V HA -0.129 3.991 4.120 -0.001 0.000 0.249 124 V C 2.400 178.525 176.094 0.053 0.000 1.055 124 V CA 1.284 63.583 62.300 -0.002 0.000 1.065 124 V CB -0.578 31.207 31.823 -0.064 0.000 0.681 124 V HN 0.411 nan 8.190 nan 0.000 0.462 125 L N 1.047 122.295 121.223 0.042 0.000 2.095 125 L HA 0.106 4.446 4.340 -0.001 0.000 0.204 125 L C 2.547 179.515 176.870 0.163 0.000 1.080 125 L CA 2.200 57.108 54.840 0.112 0.000 0.759 125 L CB -1.712 40.448 42.059 0.168 0.000 0.914 125 L HN 0.345 nan 8.230 nan 0.000 0.439 126 G N -1.444 107.440 108.800 0.140 0.000 2.471 126 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.219 126 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.219 126 G C 1.576 176.538 174.900 0.103 0.000 1.125 126 G CA 0.371 45.548 45.100 0.128 0.000 0.775 126 G HN 0.351 nan 8.290 nan 0.000 0.548 127 L N -1.164 120.121 121.223 0.105 0.000 2.554 127 L HA 0.322 4.661 4.340 -0.001 0.000 0.225 127 L C 0.896 177.816 176.870 0.083 0.000 1.104 127 L CA -0.677 54.210 54.840 0.079 0.000 0.866 127 L CB 0.050 42.149 42.059 0.066 0.000 1.047 127 L HN 0.199 nan 8.230 nan 0.000 0.468 128 Y N 1.135 121.457 120.300 0.036 0.000 2.597 128 Y HA -0.112 4.438 4.550 -0.000 0.000 0.336 128 Y C 1.165 177.094 175.900 0.048 0.000 1.216 128 Y CA 0.866 58.991 58.100 0.042 0.000 1.463 128 Y CB 0.630 39.117 38.460 0.045 0.000 1.303 128 Y HN 0.063 nan 8.280 nan 0.000 0.576 129 E N 3.201 122.945 120.200 -0.761 0.000 2.717 129 E HA -0.001 4.348 4.350 -0.001 0.000 0.204 129 E C -1.341 175.032 176.600 -0.377 0.000 0.911 129 E CA 0.003 56.151 56.400 -0.421 0.000 1.370 129 E CB 0.617 30.188 29.700 -0.216 0.000 1.315 129 E HN 0.573 nan 8.360 nan 0.000 0.643 130 Y N 1.416 121.346 120.300 -0.617 0.000 2.932 130 Y HA -0.205 4.345 4.550 -0.001 0.000 0.077 130 Y C -0.546 175.279 175.900 -0.125 0.000 2.140 130 Y CA 0.151 58.119 58.100 -0.220 0.000 1.062 130 Y CB -1.264 37.206 38.460 0.018 0.000 1.733 130 Y HN 0.125 nan 8.280 nan 0.000 0.313 131 D N 1.776 121.868 120.400 -0.514 0.000 2.423 131 D HA 0.054 4.694 4.640 -0.001 0.000 0.208 131 D C 1.253 177.320 176.300 -0.388 0.000 1.068 131 D CA 0.889 54.671 54.000 -0.364 0.000 0.860 131 D CB 0.241 40.897 40.800 -0.241 0.000 0.992 131 D HN 0.668 nan 8.370 nan 0.000 0.504 132 D N 0.062 120.130 120.400 -0.554 0.000 2.280 132 D HA -0.122 4.518 4.640 -0.001 0.000 0.206 132 D C 1.650 177.804 176.300 -0.245 0.000 0.988 132 D CA 0.857 54.640 54.000 -0.361 0.000 0.886 132 D CB 0.111 40.705 40.800 -0.343 0.000 0.914 132 D HN 0.309 nan 8.370 nan 0.000 0.473 133 L N -0.868 120.192 121.223 -0.272 0.000 2.638 133 L HA 0.183 4.523 4.340 -0.001 0.000 0.232 133 L C 0.491 177.304 176.870 -0.096 0.000 1.099 133 L CA -0.083 54.681 54.840 -0.127 0.000 0.883 133 L CB 0.307 42.329 42.059 -0.061 0.000 1.136 133 L HN -0.221 nan 8.230 nan 0.000 0.492 134 K N 1.714 122.043 120.400 -0.119 0.000 2.205 134 K HA 0.086 4.406 4.320 -0.001 0.000 0.279 134 K C 0.720 177.276 176.600 -0.073 0.000 1.027 134 K CA -0.222 56.017 56.287 -0.080 0.000 0.932 134 K CB 1.228 33.680 32.500 -0.081 0.000 1.032 134 K HN 0.128 nan 8.250 nan 0.000 0.466 135 Q N 2.262 122.031 119.800 -0.051 0.000 2.389 135 Q HA -0.068 4.272 4.340 -0.001 0.000 0.204 135 Q C -0.316 175.658 176.000 -0.043 0.000 0.944 135 Q CA 0.825 56.600 55.803 -0.045 0.000 0.908 135 Q CB -0.207 28.511 28.738 -0.033 0.000 1.002 135 Q HN 0.412 nan 8.270 nan 0.000 0.493 136 K N 1.360 121.734 120.400 -0.043 0.000 2.231 136 K HA 0.411 4.730 4.320 -0.001 0.000 0.275 136 K C -0.770 175.801 176.600 -0.048 0.000 1.105 136 K CA -0.385 55.879 56.287 -0.038 0.000 0.931 136 K CB 0.845 33.327 32.500 -0.030 0.000 1.296 136 K HN -0.002 nan 8.250 nan 0.000 0.446 137 R N 1.888 122.358 120.500 -0.050 0.000 2.873 137 R HA 0.348 4.688 4.340 -0.001 0.000 0.264 137 R C -0.739 175.533 176.300 -0.047 0.000 1.026 137 R CA -1.192 54.873 56.100 -0.059 0.000 1.002 137 R CB 1.433 31.690 30.300 -0.071 0.000 1.174 137 R HN 0.320 nan 8.270 nan 0.000 0.488 138 K N 0.315 120.685 120.400 -0.050 0.000 2.126 138 K HA 0.225 4.545 4.320 -0.001 0.000 0.257 138 K C -0.510 176.070 176.600 -0.033 0.000 1.007 138 K CA -0.404 55.861 56.287 -0.037 0.000 0.928 138 K CB 1.158 33.637 32.500 -0.036 0.000 1.013 138 K HN 0.197 nan 8.250 nan 0.000 0.473 139 V N 2.700 122.601 119.914 -0.020 0.000 2.617 139 V HA -0.066 4.054 4.120 -0.001 0.000 0.304 139 V C -0.030 176.056 176.094 -0.014 0.000 1.040 139 V CA -0.068 62.223 62.300 -0.014 0.000 1.149 139 V CB 0.947 32.768 31.823 -0.004 0.000 0.914 139 V HN 0.498 nan 8.190 nan 0.000 0.487 140 V N 8.261 128.167 119.914 -0.013 0.000 2.427 140 V HA 0.413 4.533 4.120 -0.001 0.000 0.268 140 V C 0.119 176.218 176.094 0.008 0.000 1.046 140 V CA 0.014 62.309 62.300 -0.008 0.000 0.970 140 V CB 1.449 33.265 31.823 -0.011 0.000 1.001 140 V HN 0.809 nan 8.190 nan 0.000 0.476 141 V N 5.109 125.033 119.914 0.017 0.000 2.617 141 V HA 0.740 4.859 4.120 -0.001 0.000 0.298 141 V C 0.058 176.180 176.094 0.046 0.000 1.048 141 V CA 0.190 62.508 62.300 0.031 0.000 0.964 141 V CB 1.867 33.711 31.823 0.034 0.000 1.004 141 V HN 1.050 nan 8.190 nan 0.000 0.466 142 S N 4.571 120.302 115.700 0.052 0.000 2.448 142 S HA 0.778 5.247 4.470 -0.001 0.000 0.320 142 S C -0.105 174.547 174.600 0.086 0.000 1.071 142 S CA -0.003 58.237 58.200 0.067 0.000 1.113 142 S CB 0.330 63.562 63.200 0.053 0.000 0.972 142 S HN 1.795 nan 8.310 nan 0.000 0.465 143 A N 5.739 128.635 122.820 0.127 0.000 2.260 143 A HA 0.709 5.029 4.320 -0.001 0.000 0.314 143 A C -0.136 177.598 177.584 0.251 0.000 1.257 143 A CA -0.609 51.541 52.037 0.188 0.000 0.871 143 A CB 0.588 19.732 19.000 0.241 0.000 1.166 143 A HN 0.813 nan 8.150 nan 0.000 0.522 144 K N 1.295 121.759 120.400 0.107 0.000 2.444 144 K HA 0.467 4.786 4.320 -0.001 0.000 0.252 144 K C -1.215 175.057 176.600 -0.547 0.000 0.993 144 K CA -1.023 55.207 56.287 -0.096 0.000 0.847 144 K CB 2.242 34.694 32.500 -0.081 0.000 1.340 144 K HN 0.578 nan 8.250 nan 0.000 0.446 145 L N 1.950 122.496 121.223 -1.129 0.000 2.455 145 L HA 0.076 4.415 4.340 -0.001 0.000 0.272 145 L C -0.129 176.430 176.870 -0.517 0.000 1.174 145 L CA 0.335 54.409 54.840 -1.278 0.000 0.869 145 L CB -0.027 41.263 42.059 -1.281 0.000 1.130 145 L HN 0.506 nan 8.230 nan 0.000 0.474 146 H N 4.846 123.645 119.070 -0.453 0.000 3.014 146 H HA 0.602 5.158 4.556 -0.001 0.000 0.266 146 H C 0.104 175.300 175.328 -0.221 0.000 1.455 146 H CA 0.536 56.419 56.048 -0.275 0.000 1.402 146 H CB -0.470 29.134 29.762 -0.263 0.000 1.626 146 H HN 0.880 nan 8.280 nan 0.000 0.520 147 G N 1.445 109.994 108.800 -0.418 0.000 2.359 147 G HA2 0.062 4.022 3.960 -0.001 0.000 0.303 147 G HA3 0.062 4.022 3.960 -0.001 0.000 0.303 147 G C 0.041 174.806 174.900 -0.224 0.000 1.293 147 G CA -0.149 44.747 45.100 -0.339 0.000 0.964 147 G HN 0.764 nan 8.290 nan 0.000 0.531 148 S N -1.539 114.064 115.700 -0.162 0.000 2.687 148 S HA 0.311 4.781 4.470 -0.001 0.000 0.247 148 S C 1.147 175.699 174.600 -0.081 0.000 1.050 148 S CA 1.028 59.161 58.200 -0.112 0.000 1.063 148 S CB 0.938 64.086 63.200 -0.087 0.000 1.039 148 S HN 0.652 nan 8.310 nan 0.000 0.580 149 E N 1.608 121.757 120.200 -0.084 0.000 2.005 149 E HA -0.037 4.313 4.350 -0.001 0.000 0.191 149 E C -0.262 176.316 176.600 -0.036 0.000 0.987 149 E CA 1.058 57.425 56.400 -0.055 0.000 0.814 149 E CB 0.045 29.712 29.700 -0.054 0.000 0.772 149 E HN 0.362 nan 8.360 nan 0.000 0.453 150 D N -0.072 120.310 120.400 -0.031 0.000 2.499 150 D HA 0.078 4.717 4.640 -0.001 0.000 0.225 150 D C 0.174 176.490 176.300 0.026 0.000 1.124 150 D CA 0.117 54.116 54.000 -0.001 0.000 0.938 150 D CB 0.705 41.510 40.800 0.008 0.000 1.014 150 D HN 0.148 nan 8.370 nan 0.000 0.517 151 Q N 1.501 121.314 119.800 0.020 0.000 2.134 151 Q HA -0.057 4.282 4.340 -0.001 0.000 0.195 151 Q C 1.573 177.630 176.000 0.095 0.000 0.958 151 Q CA 0.576 56.410 55.803 0.052 0.000 0.840 151 Q CB 0.302 29.050 28.738 0.018 0.000 0.918 151 Q HN 0.595 nan 8.270 nan 0.000 0.467 152 E N 0.695 120.923 120.200 0.047 0.000 2.274 152 E HA -0.064 4.286 4.350 -0.001 0.000 0.194 152 E C 1.803 178.403 176.600 -0.001 0.000 0.996 152 E CA 0.818 57.236 56.400 0.031 0.000 0.840 152 E CB -0.082 29.624 29.700 0.010 0.000 0.772 152 E HN 0.214 nan 8.360 nan 0.000 0.491 153 A N 2.442 125.258 122.820 -0.007 0.000 1.855 153 A HA -0.161 4.159 4.320 -0.001 0.000 0.215 153 A C 1.970 179.527 177.584 -0.046 0.000 1.191 153 A CA 1.139 53.138 52.037 -0.064 0.000 0.613 153 A CB -1.423 17.547 19.000 -0.050 0.000 0.829 153 A HN 0.678 nan 8.150 nan 0.000 0.442 154 W N 0.605 121.844 121.300 -0.102 0.000 2.321 154 W HA -0.249 4.410 4.660 -0.001 0.000 0.306 154 W C 1.833 178.308 176.519 -0.073 0.000 1.217 154 W CA 2.472 59.765 57.345 -0.087 0.000 1.257 154 W CB -0.294 29.129 29.460 -0.061 0.000 1.145 154 W HN 0.448 nan 8.180 nan 0.000 0.509 155 Q N 0.587 120.432 119.800 0.075 0.000 2.311 155 Q HA -0.097 4.243 4.340 -0.001 0.000 0.203 155 Q C 2.347 178.299 176.000 -0.079 0.000 0.954 155 Q CA 1.276 57.082 55.803 0.006 0.000 0.885 155 Q CB -0.497 28.301 28.738 0.100 0.000 0.963 155 Q HN 0.246 nan 8.270 nan 0.000 0.471 156 R N -1.339 119.091 120.500 -0.116 0.000 2.115 156 R HA -0.031 4.309 4.340 -0.001 0.000 0.226 156 R C 1.935 178.104 176.300 -0.219 0.000 1.100 156 R CA 1.218 57.232 56.100 -0.142 0.000 0.980 156 R CB -0.378 29.760 30.300 -0.269 0.000 0.875 156 R HN 0.392 nan 8.270 nan 0.000 0.445 157 G N -0.167 108.427 108.800 -0.343 0.000 2.402 157 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 157 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 157 G C 1.351 176.073 174.900 -0.297 0.000 1.162 157 G CA 0.715 45.581 45.100 -0.391 0.000 0.777 157 G HN 0.187 nan 8.290 nan 0.000 0.539 158 V N 1.089 120.790 119.914 -0.354 0.000 2.343 158 V HA -0.122 3.997 4.120 -0.001 0.000 0.247 158 V C 2.685 178.726 176.094 -0.088 0.000 1.051 158 V CA 1.338 63.495 62.300 -0.238 0.000 1.036 158 V CB -0.430 31.270 31.823 -0.205 0.000 0.654 158 V HN 0.304 nan 8.190 nan 0.000 0.451 159 L N -0.484 120.724 121.223 -0.025 0.000 1.989 159 L HA -0.176 4.163 4.340 -0.001 0.000 0.211 159 L C 2.369 179.271 176.870 0.053 0.000 1.071 159 L CA 2.377 57.236 54.840 0.032 0.000 0.749 159 L CB -1.167 40.949 42.059 0.096 0.000 0.890 159 L HN 0.279 nan 8.230 nan 0.000 0.431 160 F N 0.274 120.136 119.950 -0.147 0.000 2.146 160 F HA -0.105 4.421 4.527 -0.001 0.000 0.298 160 F C 2.617 178.343 175.800 -0.123 0.000 1.096 160 F CA 1.390 59.311 58.000 -0.132 0.000 1.275 160 F CB -1.069 37.843 39.000 -0.147 0.000 1.008 160 F HN 0.191 nan 8.300 nan 0.000 0.480 161 A N -1.095 121.758 122.820 0.055 0.000 1.930 161 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 161 A C 2.342 179.891 177.584 -0.058 0.000 1.175 161 A CA 1.823 53.846 52.037 -0.023 0.000 0.627 161 A CB -0.940 18.017 19.000 -0.072 0.000 0.815 161 A HN 0.296 nan 8.150 nan 0.000 0.443 162 S N -0.378 115.287 115.700 -0.059 0.000 2.428 162 S HA 0.015 4.484 4.470 -0.001 0.000 0.230 162 S C 1.962 176.502 174.600 -0.101 0.000 1.014 162 S CA 0.758 58.916 58.200 -0.070 0.000 0.957 162 S CB -0.330 62.841 63.200 -0.048 0.000 0.784 162 S HN 0.743 nan 8.310 nan 0.000 0.499 163 G N 0.975 109.708 108.800 -0.113 0.000 2.422 163 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 163 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 163 G C 1.266 176.083 174.900 -0.139 0.000 1.140 163 G CA 0.620 45.632 45.100 -0.146 0.000 0.775 163 G HN 0.512 nan 8.290 nan 0.000 0.545 164 Q N 0.046 119.773 119.800 -0.122 0.000 2.123 164 Q HA -0.028 4.312 4.340 -0.001 0.000 0.196 164 Q C 2.187 178.073 176.000 -0.192 0.000 0.958 164 Q CA 0.855 56.587 55.803 -0.118 0.000 0.841 164 Q CB -0.046 28.652 28.738 -0.067 0.000 0.915 164 Q HN 0.301 nan 8.270 nan 0.000 0.455 165 N N 0.724 119.270 118.700 -0.257 0.000 2.381 165 N HA -0.118 4.622 4.740 -0.001 0.000 0.182 165 N C 1.639 176.919 175.510 -0.383 0.000 1.025 165 N CA 0.531 53.276 53.050 -0.508 0.000 0.888 165 N CB -0.125 38.059 38.487 -0.504 0.000 0.965 165 N HN 0.294 nan 8.380 nan 0.000 0.438 166 L N 0.555 121.656 121.223 -0.202 0.000 2.017 166 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 166 L C 2.060 178.851 176.870 -0.132 0.000 1.073 166 L CA 1.307 56.064 54.840 -0.138 0.000 0.745 166 L CB -0.464 41.517 42.059 -0.130 0.000 0.894 166 L HN 0.119 nan 8.230 nan 0.000 0.432 167 A N -0.026 122.716 122.820 -0.130 0.000 1.902 167 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 167 A C 2.237 179.765 177.584 -0.092 0.000 1.181 167 A CA 1.501 53.489 52.037 -0.082 0.000 0.623 167 A CB -0.508 18.450 19.000 -0.070 0.000 0.818 167 A HN 0.421 nan 8.150 nan 0.000 0.443 168 R N -0.645 119.756 120.500 -0.165 0.000 2.092 168 R HA -0.150 4.190 4.340 -0.001 0.000 0.231 168 R C 2.408 178.645 176.300 -0.104 0.000 1.119 168 R CA 1.622 57.630 56.100 -0.154 0.000 0.970 168 R CB -0.318 29.811 30.300 -0.285 0.000 0.864 168 R HN 0.705 nan 8.270 nan 0.000 0.440 169 R N 0.722 121.162 120.500 -0.099 0.000 2.090 169 R HA -0.057 4.282 4.340 -0.001 0.000 0.228 169 R C 1.860 178.087 176.300 -0.122 0.000 1.110 169 R CA 1.113 57.192 56.100 -0.035 0.000 0.973 169 R CB -0.649 29.736 30.300 0.142 0.000 0.869 169 R HN 0.004 nan 8.270 nan 0.000 0.440 170 L N 0.606 121.791 121.223 -0.063 0.000 2.079 170 L HA -0.002 4.338 4.340 -0.001 0.000 0.210 170 L C 2.317 179.201 176.870 0.022 0.000 1.081 170 L CA 1.837 56.680 54.840 0.005 0.000 0.752 170 L CB -0.669 41.422 42.059 0.053 0.000 0.896 170 L HN 0.356 nan 8.230 nan 0.000 0.433 171 M N -1.665 117.923 119.600 -0.020 0.000 2.160 171 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 171 M C 2.129 178.383 176.300 -0.077 0.000 1.073 171 M CA 1.261 56.545 55.300 -0.027 0.000 1.142 171 M CB -0.243 32.342 32.600 -0.024 0.000 1.358 171 M HN 0.041 nan 8.290 nan 0.000 0.422 172 E N 0.211 120.315 120.200 -0.160 0.000 2.204 172 E HA -0.050 4.299 4.350 -0.001 0.000 0.194 172 E C -0.080 176.304 176.600 -0.361 0.000 0.989 172 E CA 0.754 57.013 56.400 -0.235 0.000 0.824 172 E CB -0.013 29.516 29.700 -0.284 0.000 0.756 172 E HN 0.230 nan 8.360 nan 0.000 0.477 173 T N 4.334 118.609 114.554 -0.465 0.000 2.871 173 T HA 0.047 4.396 4.350 -0.001 0.000 0.296 173 T C -2.441 172.233 174.700 -0.042 0.000 0.998 173 T CA -0.904 61.027 62.100 -0.282 0.000 1.162 173 T CB 0.670 69.453 68.868 -0.141 0.000 0.947 173 T HN 0.153 nan 8.240 nan 0.000 0.536 174 P HA 0.051 nan 4.420 nan 0.000 0.264 174 P C 0.487 177.818 177.300 0.050 0.000 1.183 174 P CA -0.103 63.029 63.100 0.052 0.000 0.763 174 P CB 0.524 32.260 31.700 0.060 0.000 0.807 175 A N 4.197 127.053 122.820 0.060 0.000 2.131 175 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 175 A C 1.811 179.424 177.584 0.048 0.000 1.158 175 A CA 1.578 53.665 52.037 0.084 0.000 0.665 175 A CB -1.065 18.031 19.000 0.161 0.000 0.795 175 A HN 0.703 nan 8.150 nan 0.000 0.460 176 N N -0.209 118.498 118.700 0.012 0.000 2.409 176 N HA -0.123 4.617 4.740 -0.001 0.000 0.179 176 N C 1.305 176.833 175.510 0.031 0.000 1.032 176 N CA 1.542 54.598 53.050 0.009 0.000 0.898 176 N CB -0.174 38.303 38.487 -0.016 0.000 0.971 176 N HN 0.504 nan 8.380 nan 0.000 0.441 177 E N 0.112 120.339 120.200 0.045 0.000 2.162 177 E HA 0.118 4.467 4.350 -0.001 0.000 0.193 177 E C 0.375 177.015 176.600 0.067 0.000 0.953 177 E CA 0.285 56.719 56.400 0.057 0.000 0.849 177 E CB -0.103 29.642 29.700 0.074 0.000 0.810 177 E HN 0.191 nan 8.360 nan 0.000 0.470 178 M N 2.280 121.924 119.600 0.075 0.000 3.654 178 M HA 0.194 4.674 4.480 -0.001 0.000 0.212 178 M C -0.482 175.884 176.300 0.110 0.000 1.354 178 M CA -0.202 55.158 55.300 0.100 0.000 1.564 178 M CB -0.528 32.130 32.600 0.097 0.000 1.056 178 M HN 0.065 nan 8.290 nan 0.000 0.608 179 T N -0.302 114.310 114.554 0.097 0.000 2.732 179 T HA 0.431 4.780 4.350 -0.001 0.000 0.287 179 T C -1.891 172.872 174.700 0.105 0.000 0.993 179 T CA -1.320 60.833 62.100 0.088 0.000 0.966 179 T CB 0.180 69.091 68.868 0.071 0.000 1.047 179 T HN 0.208 nan 8.240 nan 0.000 0.527 180 P HA -0.102 nan 4.420 nan 0.000 0.213 180 P C 1.783 179.159 177.300 0.126 0.000 1.170 180 P CA 1.642 64.794 63.100 0.088 0.000 0.902 180 P CB -0.478 31.273 31.700 0.084 0.000 0.789 181 T N 0.190 114.805 114.554 0.101 0.000 2.665 181 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 181 T C 1.659 176.411 174.700 0.086 0.000 1.035 181 T CA 1.446 63.598 62.100 0.087 0.000 1.151 181 T CB -0.633 68.274 68.868 0.065 0.000 0.862 181 T HN 0.173 nan 8.240 nan 0.000 0.438 182 K N 0.595 121.049 120.400 0.090 0.000 2.026 182 K HA -0.044 4.275 4.320 -0.001 0.000 0.208 182 K C 2.049 178.696 176.600 0.078 0.000 1.048 182 K CA 1.083 57.414 56.287 0.073 0.000 0.929 182 K CB -0.779 31.766 32.500 0.075 0.000 0.713 182 K HN 0.396 nan 8.250 nan 0.000 0.439 183 F N 2.072 122.016 119.950 -0.009 0.000 2.095 183 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 183 F C 2.307 178.085 175.800 -0.037 0.000 1.104 183 F CA 1.740 59.726 58.000 -0.025 0.000 1.232 183 F CB -0.384 38.599 39.000 -0.029 0.000 0.987 183 F HN 0.030 nan 8.300 nan 0.000 0.475 184 A N -0.061 122.881 122.820 0.202 0.000 1.933 184 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 184 A C 2.108 179.656 177.584 -0.060 0.000 1.175 184 A CA 1.859 53.943 52.037 0.079 0.000 0.628 184 A CB -0.871 18.189 19.000 0.101 0.000 0.814 184 A HN 0.598 nan 8.150 nan 0.000 0.444 185 E N -0.529 119.646 120.200 -0.042 0.000 2.152 185 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 185 E C 1.789 178.326 176.600 -0.104 0.000 0.983 185 E CA 0.960 57.323 56.400 -0.061 0.000 0.818 185 E CB -0.183 29.501 29.700 -0.027 0.000 0.758 185 E HN 0.725 nan 8.360 nan 0.000 0.467 186 I N 0.257 120.735 120.570 -0.154 0.000 2.277 186 I HA -0.189 3.981 4.170 -0.001 0.000 0.243 186 I C 2.304 178.279 176.117 -0.237 0.000 1.094 186 I CA 0.493 61.687 61.300 -0.176 0.000 1.393 186 I CB -0.127 37.755 38.000 -0.196 0.000 1.078 186 I HN -0.043 nan 8.210 nan 0.000 0.417 187 V N 1.178 120.872 119.914 -0.367 0.000 2.332 187 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 187 V C 2.528 178.495 176.094 -0.212 0.000 1.055 187 V CA 2.280 64.375 62.300 -0.342 0.000 1.038 187 V CB -0.727 30.826 31.823 -0.449 0.000 0.651 187 V HN 0.522 nan 8.190 nan 0.000 0.450 188 E N 0.555 120.649 120.200 -0.176 0.000 2.070 188 E HA -0.319 4.031 4.350 -0.001 0.000 0.197 188 E C 2.274 178.802 176.600 -0.121 0.000 1.004 188 E CA 1.979 58.296 56.400 -0.139 0.000 0.805 188 E CB -0.226 29.404 29.700 -0.117 0.000 0.744 188 E HN 0.840 nan 8.360 nan 0.000 0.451 189 E N -0.056 120.077 120.200 -0.111 0.000 2.107 189 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 189 E C 1.840 178.385 176.600 -0.092 0.000 0.982 189 E CA 0.960 57.307 56.400 -0.089 0.000 0.809 189 E CB -0.278 29.378 29.700 -0.074 0.000 0.756 189 E HN 0.254 nan 8.360 nan 0.000 0.459 190 N N 0.556 119.187 118.700 -0.115 0.000 2.244 190 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 190 N C 1.932 177.368 175.510 -0.123 0.000 1.016 190 N CA 0.812 53.791 53.050 -0.117 0.000 0.866 190 N CB -0.024 38.377 38.487 -0.142 0.000 0.980 190 N HN 0.225 nan 8.380 nan 0.000 0.430 191 L N 1.773 122.918 121.223 -0.130 0.000 2.095 191 L HA -0.005 4.334 4.340 -0.001 0.000 0.204 191 L C 1.931 178.744 176.870 -0.095 0.000 1.080 191 L CA 1.577 56.342 54.840 -0.126 0.000 0.759 191 L CB -0.190 41.794 42.059 -0.125 0.000 0.914 191 L HN -0.120 nan 8.230 nan 0.000 0.439 192 K N -1.023 119.328 120.400 -0.081 0.000 2.148 192 K HA -0.048 4.272 4.320 -0.001 0.000 0.204 192 K C 1.971 178.543 176.600 -0.046 0.000 1.050 192 K CA 1.332 57.585 56.287 -0.056 0.000 0.942 192 K CB -0.083 32.383 32.500 -0.057 0.000 0.724 192 K HN 0.275 nan 8.250 nan 0.000 0.446 193 S N 0.736 116.402 115.700 -0.055 0.000 2.428 193 S HA -0.059 4.410 4.470 -0.001 0.000 0.230 193 S C 1.970 176.540 174.600 -0.050 0.000 1.014 193 S CA 0.927 59.099 58.200 -0.046 0.000 0.957 193 S CB 0.023 63.195 63.200 -0.048 0.000 0.784 193 S HN 0.394 nan 8.310 nan 0.000 0.499 194 A N 0.570 123.346 122.820 -0.073 0.000 2.014 194 A HA 0.309 4.629 4.320 -0.001 0.000 0.218 194 A C 1.039 178.582 177.584 -0.068 0.000 1.163 194 A CA 0.861 52.843 52.037 -0.092 0.000 0.652 194 A CB -0.006 18.904 19.000 -0.151 0.000 0.808 194 A HN 0.449 nan 8.150 nan 0.000 0.449 195 S N -1.886 113.795 115.700 -0.031 0.000 2.606 195 S HA 0.281 4.751 4.470 -0.001 0.000 0.290 195 S C 0.106 174.733 174.600 0.046 0.000 1.103 195 S CA -0.071 58.147 58.200 0.030 0.000 0.870 195 S CB -0.127 63.130 63.200 0.096 0.000 1.077 195 S HN 0.824 nan 8.310 nan 0.000 0.448 196 I N 0.339 120.940 120.570 0.051 0.000 3.684 196 I HA 0.428 4.598 4.170 -0.001 0.000 0.304 196 I C 0.696 176.849 176.117 0.060 0.000 1.278 196 I CA -0.022 61.302 61.300 0.041 0.000 1.272 196 I CB -0.357 37.659 38.000 0.028 0.000 1.029 196 I HN 0.376 nan 8.210 nan 0.000 0.458 197 K N 2.876 123.338 120.400 0.104 0.000 3.192 197 K HA 0.202 4.521 4.320 -0.001 0.000 0.269 197 K C -0.132 176.559 176.600 0.151 0.000 1.270 197 K CA 0.001 56.351 56.287 0.105 0.000 1.249 197 K CB -0.116 32.441 32.500 0.094 0.000 1.528 197 K HN 0.552 nan 8.250 nan 0.000 0.360 198 T N -3.367 111.252 114.554 0.108 0.000 2.900 198 T HA 0.437 4.787 4.350 -0.001 0.000 0.303 198 T C -1.194 173.520 174.700 0.023 0.000 1.142 198 T CA -1.091 61.065 62.100 0.094 0.000 1.007 198 T CB 2.346 71.247 68.868 0.054 0.000 1.156 198 T HN -0.145 nan 8.240 nan 0.000 0.490 199 D N 0.975 121.365 120.400 -0.016 0.000 2.936 199 D HA 0.533 5.173 4.640 -0.001 0.000 0.238 199 D C -1.030 174.995 176.300 -0.458 0.000 1.248 199 D CA -0.215 53.673 54.000 -0.186 0.000 0.903 199 D CB 2.532 43.343 40.800 0.019 0.000 1.544 199 D HN 0.538 nan 8.370 nan 0.000 0.543 200 V N 2.657 122.193 119.914 -0.630 0.000 2.555 200 V HA 0.576 4.696 4.120 -0.001 0.000 0.302 200 V C -0.719 174.844 176.094 -0.885 0.000 1.038 200 V CA -0.683 61.253 62.300 -0.606 0.000 0.887 200 V CB 1.575 33.215 31.823 -0.305 0.000 0.991 200 V HN 0.341 nan 8.190 nan 0.000 0.434 201 F N 4.079 123.968 119.950 -0.103 0.000 2.553 201 F HA 0.578 5.105 4.527 -0.001 0.000 0.335 201 F C 0.014 175.751 175.800 -0.106 0.000 1.148 201 F CA -0.612 57.330 58.000 -0.098 0.000 0.963 201 F CB 1.510 40.443 39.000 -0.112 0.000 1.217 201 F HN 0.238 nan 8.300 nan 0.000 0.441 202 I N 4.894 125.488 120.570 0.040 0.000 2.395 202 I HA 0.281 4.451 4.170 -0.001 0.000 0.282 202 I C -0.056 176.082 176.117 0.035 0.000 1.107 202 I CA -0.496 60.822 61.300 0.029 0.000 1.210 202 I CB 0.059 38.070 38.000 0.019 0.000 1.456 202 I HN 0.434 nan 8.210 nan 0.000 0.504 203 R N 6.294 126.782 120.500 -0.020 0.000 2.370 203 R HA 0.253 4.593 4.340 -0.001 0.000 0.309 203 R C -2.302 174.079 176.300 0.134 0.000 1.059 203 R CA -1.364 54.677 56.100 -0.099 0.000 0.981 203 R CB 0.172 30.069 30.300 -0.672 0.000 0.972 203 R HN 0.244 nan 8.270 nan 0.000 0.437 204 P HA 0.037 nan 4.420 nan 0.000 0.279 204 P C 0.097 177.534 177.300 0.228 0.000 1.282 204 P CA -0.458 62.753 63.100 0.184 0.000 0.788 204 P CB 0.848 32.631 31.700 0.139 0.000 1.139 205 K N 0.424 120.908 120.400 0.139 0.000 2.074 205 K HA -0.167 4.153 4.320 -0.001 0.000 0.209 205 K C 2.095 178.738 176.600 0.071 0.000 1.048 205 K CA 2.406 58.739 56.287 0.076 0.000 0.926 205 K CB -0.544 31.971 32.500 0.024 0.000 0.713 205 K HN 0.510 nan 8.250 nan 0.000 0.444 206 S N -0.534 115.220 115.700 0.090 0.000 2.419 206 S HA -0.194 4.276 4.470 -0.001 0.000 0.233 206 S C 1.775 176.416 174.600 0.070 0.000 1.016 206 S CA 0.935 59.173 58.200 0.064 0.000 0.974 206 S CB -0.634 62.610 63.200 0.072 0.000 0.786 206 S HN 0.636 nan 8.310 nan 0.000 0.492 207 W N 2.018 123.312 121.300 -0.010 0.000 2.441 207 W HA 0.216 4.876 4.660 -0.001 0.000 0.302 207 W C 1.758 178.235 176.519 -0.071 0.000 1.191 207 W CA 0.805 58.133 57.345 -0.028 0.000 1.327 207 W CB -0.283 29.180 29.460 0.003 0.000 1.128 207 W HN 0.220 nan 8.180 nan 0.000 0.522 208 I N 1.051 121.716 120.570 0.158 0.000 2.264 208 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 208 I C 2.180 178.159 176.117 -0.231 0.000 1.111 208 I CA 1.825 63.105 61.300 -0.034 0.000 1.382 208 I CB -0.618 37.452 38.000 0.116 0.000 1.060 208 I HN 0.109 nan 8.210 nan 0.000 0.418 209 E N 0.466 120.568 120.200 -0.164 0.000 2.072 209 E HA -0.262 4.088 4.350 -0.001 0.000 0.191 209 E C 2.124 178.601 176.600 -0.204 0.000 0.985 209 E CA 1.149 57.454 56.400 -0.159 0.000 0.801 209 E CB -0.174 29.466 29.700 -0.100 0.000 0.750 209 E HN 0.492 nan 8.360 nan 0.000 0.452 210 E N 0.855 120.899 120.200 -0.260 0.000 2.153 210 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 210 E C 1.603 177.968 176.600 -0.392 0.000 0.988 210 E CA 0.822 57.048 56.400 -0.290 0.000 0.811 210 E CB 0.185 29.711 29.700 -0.291 0.000 0.746 210 E HN 0.155 nan 8.360 nan 0.000 0.466 211 Q N 0.283 119.723 119.800 -0.599 0.000 2.444 211 Q HA -0.011 4.328 4.340 -0.001 0.000 0.206 211 Q C -0.174 175.621 176.000 -0.341 0.000 0.948 211 Q CA 0.335 55.769 55.803 -0.615 0.000 0.946 211 Q CB 0.290 28.354 28.738 -1.123 0.000 1.027 211 Q HN 0.383 nan 8.270 nan 0.000 0.513 212 E N -0.263 119.788 120.200 -0.248 0.000 2.586 212 E HA -0.219 4.130 4.350 -0.001 0.000 0.259 212 E C -0.451 176.090 176.600 -0.097 0.000 1.107 212 E CA 0.321 56.635 56.400 -0.144 0.000 0.754 212 E CB -1.466 28.168 29.700 -0.110 0.000 1.335 212 E HN 0.429 nan 8.360 nan 0.000 0.411 213 M N 0.082 119.617 119.600 -0.109 0.000 3.742 213 M HA 0.091 4.571 4.480 -0.001 0.000 0.197 213 M C 1.721 178.017 176.300 -0.006 0.000 1.417 213 M CA 0.371 55.666 55.300 -0.008 0.000 1.653 213 M CB 0.104 32.754 32.600 0.084 0.000 1.079 213 M HN 0.245 nan 8.290 nan 0.000 0.558 214 G N -0.007 108.780 108.800 -0.021 0.000 2.432 214 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 214 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 214 G C 1.613 176.516 174.900 0.005 0.000 1.135 214 G CA 1.082 46.167 45.100 -0.026 0.000 0.767 214 G HN 0.528 nan 8.290 nan 0.000 0.550 215 S N -0.442 115.283 115.700 0.042 0.000 2.383 215 S HA -0.085 4.384 4.470 -0.001 0.000 0.227 215 S C 2.008 176.679 174.600 0.117 0.000 1.026 215 S CA 1.214 59.450 58.200 0.059 0.000 0.981 215 S CB -0.347 62.870 63.200 0.029 0.000 0.818 215 S HN 0.355 nan 8.310 nan 0.000 0.472 216 F N 1.796 121.750 119.950 0.006 0.000 2.163 216 F HA 0.165 4.692 4.527 -0.001 0.000 0.297 216 F C 1.624 177.442 175.800 0.030 0.000 1.094 216 F CA 0.702 58.720 58.000 0.031 0.000 1.290 216 F CB -1.007 38.045 39.000 0.086 0.000 1.017 216 F HN 0.193 nan 8.300 nan 0.000 0.483 217 L N 0.944 122.016 121.223 -0.252 0.000 2.083 217 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 217 L C 2.955 179.752 176.870 -0.121 0.000 1.083 217 L CA 2.072 56.733 54.840 -0.299 0.000 0.752 217 L CB -1.584 40.335 42.059 -0.233 0.000 0.899 217 L HN 0.426 nan 8.230 nan 0.000 0.433 218 S N -1.750 113.922 115.700 -0.047 0.000 2.400 218 S HA -0.159 4.311 4.470 -0.001 0.000 0.232 218 S C 1.961 176.560 174.600 -0.002 0.000 1.025 218 S CA 1.463 59.652 58.200 -0.017 0.000 0.993 218 S CB -0.903 62.298 63.200 0.003 0.000 0.808 218 S HN 0.199 nan 8.310 nan 0.000 0.478 219 V N 2.201 122.130 119.914 0.025 0.000 2.379 219 V HA 0.061 4.181 4.120 -0.001 0.000 0.245 219 V C 3.085 179.201 176.094 0.036 0.000 1.044 219 V CA 1.445 63.770 62.300 0.042 0.000 1.036 219 V CB -1.366 30.508 31.823 0.085 0.000 0.664 219 V HN 0.663 nan 8.190 nan 0.000 0.453 220 A N 1.053 123.886 122.820 0.021 0.000 2.119 220 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 220 A C 2.214 179.793 177.584 -0.007 0.000 1.153 220 A CA 1.459 53.502 52.037 0.012 0.000 0.692 220 A CB -0.415 18.560 19.000 -0.042 0.000 0.799 220 A HN 0.735 nan 8.150 nan 0.000 0.458 221 K N -0.735 119.652 120.400 -0.022 0.000 2.211 221 K HA -0.021 4.299 4.320 -0.001 0.000 0.203 221 K C 1.741 178.340 176.600 -0.001 0.000 1.050 221 K CA 1.333 57.609 56.287 -0.018 0.000 0.945 221 K CB -0.695 31.790 32.500 -0.025 0.000 0.732 221 K HN 0.209 nan 8.250 nan 0.000 0.451 222 G N 0.983 109.788 108.800 0.008 0.000 2.509 222 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.218 222 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.218 222 G C 0.504 175.417 174.900 0.022 0.000 1.124 222 G CA 0.318 45.427 45.100 0.015 0.000 0.776 222 G HN 0.366 nan 8.290 nan 0.000 0.547 223 S N -0.960 114.756 115.700 0.027 0.000 2.651 223 S HA 0.433 4.903 4.470 -0.001 0.000 0.291 223 S C 0.797 175.412 174.600 0.025 0.000 1.141 223 S CA -0.608 57.612 58.200 0.034 0.000 1.027 223 S CB 1.365 64.595 63.200 0.050 0.000 1.043 223 S HN 0.096 nan 8.310 nan 0.000 0.530 224 E N 1.025 121.240 120.200 0.025 0.000 2.472 224 E HA 0.126 4.475 4.350 -0.001 0.000 0.196 224 E C -0.147 176.468 176.600 0.026 0.000 1.033 224 E CA 0.090 56.503 56.400 0.021 0.000 0.886 224 E CB 0.008 29.718 29.700 0.017 0.000 0.944 224 E HN 0.581 nan 8.360 nan 0.000 0.492 225 E N 2.495 122.716 120.200 0.034 0.000 2.299 225 E HA 0.108 4.458 4.350 -0.001 0.000 0.272 225 E C -2.455 174.173 176.600 0.047 0.000 1.043 225 E CA -2.432 53.994 56.400 0.043 0.000 0.895 225 E CB 0.616 30.347 29.700 0.052 0.000 1.011 225 E HN -0.165 nan 8.360 nan 0.000 0.432 226 P HA 0.118 nan 4.420 nan 0.000 0.268 226 P C -2.497 174.848 177.300 0.075 0.000 1.204 226 P CA -0.939 62.192 63.100 0.052 0.000 0.768 226 P CB 0.227 31.959 31.700 0.053 0.000 0.842 227 P HA 0.203 nan 4.420 nan 0.000 0.279 227 P C -1.055 176.362 177.300 0.196 0.000 1.252 227 P CA -0.125 63.064 63.100 0.149 0.000 0.811 227 P CB 0.991 32.714 31.700 0.039 0.000 1.035 228 V N 2.425 122.508 119.914 0.281 0.000 2.760 228 V HA 0.331 4.450 4.120 -0.001 0.000 0.309 228 V C -0.878 175.409 176.094 0.323 0.000 1.077 228 V CA -0.495 61.955 62.300 0.249 0.000 0.910 228 V CB 1.934 33.843 31.823 0.142 0.000 1.008 228 V HN 0.462 nan 8.190 nan 0.000 0.424 229 F N 5.758 125.829 119.950 0.202 0.000 2.308 229 F HA 0.640 5.166 4.527 -0.001 0.000 0.370 229 F C -0.479 175.304 175.800 -0.027 0.000 1.100 229 F CA -0.663 57.408 58.000 0.119 0.000 1.108 229 F CB 1.180 40.315 39.000 0.226 0.000 1.293 229 F HN 0.425 nan 8.300 nan 0.000 0.478 230 L N 5.752 126.789 121.223 -0.310 0.000 2.331 230 L HA 0.378 4.718 4.340 -0.001 0.000 0.278 230 L C -0.573 176.221 176.870 -0.127 0.000 1.106 230 L CA 0.225 54.985 54.840 -0.134 0.000 0.824 230 L CB 0.921 42.947 42.059 -0.055 0.000 1.142 230 L HN 0.689 nan 8.230 nan 0.000 0.443 231 E N 4.509 124.726 120.200 0.028 0.000 2.244 231 E HA 0.421 4.771 4.350 -0.001 0.000 0.260 231 E C -1.553 175.002 176.600 -0.075 0.000 0.884 231 E CA -0.679 55.775 56.400 0.090 0.000 0.777 231 E CB 1.289 31.164 29.700 0.293 0.000 1.197 231 E HN 0.555 nan 8.360 nan 0.000 0.416 232 I N 4.226 124.686 120.570 -0.183 0.000 2.441 232 I HA 0.307 4.476 4.170 -0.001 0.000 0.295 232 I C -0.844 175.088 176.117 -0.309 0.000 0.994 232 I CA -0.542 60.617 61.300 -0.234 0.000 1.144 232 I CB 1.263 39.195 38.000 -0.112 0.000 1.314 232 I HN 0.535 nan 8.210 nan 0.000 0.445 233 H N 5.913 125.026 119.070 0.072 0.000 2.589 233 H HA 0.333 4.889 4.556 -0.001 0.000 0.351 233 H C -1.508 173.892 175.328 0.120 0.000 1.074 233 H CA -0.594 55.508 56.048 0.089 0.000 1.203 233 H CB 1.642 31.485 29.762 0.135 0.000 1.558 233 H HN 0.418 nan 8.280 nan 0.000 0.522 234 Y N 2.578 122.945 120.300 0.112 0.000 2.345 234 Y HA 0.276 4.826 4.550 -0.001 0.000 0.331 234 Y C -0.412 175.528 175.900 0.066 0.000 0.959 234 Y CA -1.158 56.973 58.100 0.052 0.000 1.204 234 Y CB 0.804 39.265 38.460 0.003 0.000 1.135 234 Y HN 0.408 nan 8.280 nan 0.000 0.477 235 K N 4.866 125.081 120.400 -0.308 0.000 2.222 235 K HA 0.289 4.609 4.320 -0.001 0.000 0.243 235 K C 1.004 177.287 176.600 -0.528 0.000 1.160 235 K CA 0.156 56.260 56.287 -0.305 0.000 1.090 235 K CB 0.385 32.825 32.500 -0.100 0.000 1.694 235 K HN 0.981 nan 8.250 nan 0.000 0.361 236 G N 0.417 108.732 108.800 -0.807 0.000 2.603 236 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.214 236 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.214 236 G C 0.475 175.253 174.900 -0.203 0.000 1.140 236 G CA -0.117 44.620 45.100 -0.604 0.000 0.800 236 G HN 0.357 nan 8.290 nan 0.000 0.533 237 S N 1.509 117.123 115.700 -0.143 0.000 2.576 237 S HA 0.255 4.724 4.470 -0.001 0.000 0.276 237 S C -0.710 173.863 174.600 -0.045 0.000 1.339 237 S CA -0.893 57.272 58.200 -0.058 0.000 1.039 237 S CB 1.871 65.055 63.200 -0.027 0.000 0.902 237 S HN 0.114 nan 8.310 nan 0.000 0.516 238 P HA -0.115 nan 4.420 nan 0.000 0.216 238 P C -0.089 177.205 177.300 -0.011 0.000 1.153 238 P CA 1.199 64.291 63.100 -0.013 0.000 0.858 238 P CB -0.281 31.416 31.700 -0.006 0.000 0.789 239 N N -0.345 118.350 118.700 -0.008 0.000 2.425 239 N HA 0.305 5.045 4.740 -0.001 0.000 0.268 239 N C 0.747 176.253 175.510 -0.007 0.000 0.991 239 N CA -0.351 52.697 53.050 -0.004 0.000 0.931 239 N CB 1.248 39.736 38.487 0.002 0.000 1.130 239 N HN -0.089 nan 8.380 nan 0.000 0.493 240 A N 2.204 125.021 122.820 -0.006 0.000 2.070 240 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 240 A C 1.727 179.311 177.584 0.001 0.000 1.159 240 A CA 1.061 53.094 52.037 -0.007 0.000 0.656 240 A CB -0.399 18.600 19.000 -0.001 0.000 0.800 240 A HN 0.665 nan 8.150 nan 0.000 0.453 241 S N 0.118 115.822 115.700 0.007 0.000 2.631 241 S HA 0.063 4.533 4.470 -0.001 0.000 0.217 241 S C 0.389 175.001 174.600 0.020 0.000 0.958 241 S CA -0.236 57.971 58.200 0.013 0.000 0.920 241 S CB -0.118 63.089 63.200 0.011 0.000 0.776 241 S HN 0.505 nan 8.310 nan 0.000 0.517 242 E N 3.582 123.795 120.200 0.021 0.000 2.415 242 E HA 0.080 4.430 4.350 -0.001 0.000 0.263 242 E C -2.360 174.269 176.600 0.048 0.000 0.995 242 E CA -1.910 54.511 56.400 0.035 0.000 0.915 242 E CB 0.414 30.136 29.700 0.037 0.000 0.951 242 E HN 0.200 nan 8.360 nan 0.000 0.449 243 P HA 0.045 nan 4.420 nan 0.000 0.264 243 P C -2.483 174.871 177.300 0.090 0.000 1.183 243 P CA -0.849 62.299 63.100 0.080 0.000 0.763 243 P CB 0.036 31.788 31.700 0.086 0.000 0.807 244 P HA 0.295 nan 4.420 nan 0.000 0.278 244 P C -0.683 176.658 177.300 0.067 0.000 1.266 244 P CA -0.508 62.641 63.100 0.080 0.000 0.807 244 P CB 0.826 32.572 31.700 0.076 0.000 1.094 245 L N 0.719 121.980 121.223 0.062 0.000 2.275 245 L HA 0.322 4.661 4.340 -0.001 0.000 0.288 245 L C 0.164 177.110 176.870 0.126 0.000 1.046 245 L CA -0.448 54.419 54.840 0.045 0.000 0.805 245 L CB 1.232 43.313 42.059 0.037 0.000 1.193 245 L HN 0.088 nan 8.230 nan 0.000 0.426 246 V N 3.484 123.425 119.914 0.046 0.000 2.483 246 V HA 0.457 4.577 4.120 -0.001 0.000 0.295 246 V C -0.424 175.717 176.094 0.080 0.000 1.035 246 V CA -0.549 61.800 62.300 0.082 0.000 0.896 246 V CB 1.517 33.346 31.823 0.010 0.000 0.986 246 V HN 0.347 nan 8.190 nan 0.000 0.447 247 F N 2.825 122.775 119.950 -0.000 0.000 2.480 247 F HA 0.720 5.247 4.527 -0.001 0.000 0.329 247 F C 0.049 175.867 175.800 0.031 0.000 1.091 247 F CA -0.673 57.339 58.000 0.021 0.000 0.972 247 F CB 2.085 41.094 39.000 0.015 0.000 1.150 247 F HN 0.154 nan 8.300 nan 0.000 0.467 248 V N 1.657 121.677 119.914 0.177 0.000 2.735 248 V HA 0.909 5.029 4.120 -0.001 0.000 0.310 248 V C -0.179 175.977 176.094 0.103 0.000 1.061 248 V CA -0.747 61.632 62.300 0.133 0.000 0.913 248 V CB 1.898 33.813 31.823 0.154 0.000 1.005 248 V HN 0.890 nan 8.190 nan 0.000 0.428 249 G N 2.363 111.179 108.800 0.026 0.000 2.731 249 G HA2 0.546 4.506 3.960 -0.001 0.000 0.298 249 G HA3 0.546 4.506 3.960 -0.001 0.000 0.298 249 G C -1.227 173.618 174.900 -0.092 0.000 1.424 249 G CA -0.860 44.238 45.100 -0.003 0.000 1.029 249 G HN 0.735 nan 8.290 nan 0.000 0.518 250 K N 0.650 121.006 120.400 -0.074 0.000 2.416 250 K HA 0.471 4.791 4.320 -0.001 0.000 0.283 250 K C 0.764 177.245 176.600 -0.198 0.000 1.037 250 K CA 0.169 56.381 56.287 -0.125 0.000 0.995 250 K CB 0.610 33.066 32.500 -0.073 0.000 0.938 250 K HN 0.498 nan 8.250 nan 0.000 0.475 251 G N 6.020 114.662 108.800 -0.263 0.000 4.975 251 G HA2 0.249 4.208 3.960 -0.001 0.000 0.312 251 G HA3 0.249 4.208 3.960 -0.001 0.000 0.312 251 G C -0.499 174.257 174.900 -0.239 0.000 1.425 251 G CA -0.515 44.377 45.100 -0.347 0.000 1.076 251 G HN 0.518 nan 8.290 nan 0.000 0.586 252 I N 2.828 123.296 120.570 -0.171 0.000 2.363 252 I HA 0.087 4.256 4.170 -0.001 0.000 0.292 252 I C 1.863 177.917 176.117 -0.105 0.000 1.075 252 I CA 0.034 61.266 61.300 -0.114 0.000 1.333 252 I CB 0.545 38.475 38.000 -0.116 0.000 1.415 252 I HN 0.303 nan 8.210 nan 0.000 0.502 253 T N 3.199 117.724 114.554 -0.048 0.000 3.035 253 T HA -0.012 4.337 4.350 -0.001 0.000 0.268 253 T C 0.244 175.016 174.700 0.120 0.000 1.109 253 T CA 0.571 62.676 62.100 0.008 0.000 1.119 253 T CB -0.033 68.859 68.868 0.039 0.000 0.900 253 T HN 0.316 nan 8.240 nan 0.000 0.503 254 F N 1.109 121.045 119.950 -0.024 0.000 2.623 254 F HA 0.446 4.973 4.527 -0.000 0.000 0.323 254 F C -2.184 173.607 175.800 -0.014 0.000 1.158 254 F CA -1.714 56.277 58.000 -0.015 0.000 1.030 254 F CB 1.894 40.891 39.000 -0.005 0.000 1.280 254 F HN -0.153 nan 8.300 nan 0.000 0.474 255 D N 2.775 122.588 120.400 -0.979 0.000 2.473 255 D HA 0.220 4.859 4.640 -0.001 0.000 0.226 255 D C 0.622 176.534 176.300 -0.646 0.000 1.089 255 D CA 0.181 53.833 54.000 -0.580 0.000 0.883 255 D CB 1.236 41.817 40.800 -0.366 0.000 1.029 255 D HN 0.453 nan 8.370 nan 0.000 0.517 256 S N 2.013 117.564 115.700 -0.248 0.000 2.558 256 S HA 0.251 4.720 4.470 -0.001 0.000 0.217 256 S C 1.676 176.274 174.600 -0.003 0.000 0.975 256 S CA 0.572 58.801 58.200 0.048 0.000 0.912 256 S CB 0.200 63.563 63.200 0.272 0.000 0.776 256 S HN 0.685 nan 8.310 nan 0.000 0.526 257 G N 0.680 109.448 108.800 -0.052 0.000 2.284 257 G HA2 0.101 4.061 3.960 -0.001 0.000 0.230 257 G HA3 0.101 4.061 3.960 -0.001 0.000 0.230 257 G C 1.262 176.152 174.900 -0.015 0.000 1.021 257 G CA 0.358 45.434 45.100 -0.039 0.000 0.619 257 G HN 1.845 nan 8.290 nan 0.000 0.510 258 G N 0.255 109.062 108.800 0.011 0.000 2.498 258 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.251 258 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.251 258 G C 0.852 175.760 174.900 0.014 0.000 1.170 258 G CA 0.577 45.687 45.100 0.017 0.000 0.944 258 G HN 1.002 nan 8.290 nan 0.000 0.567 259 I N 1.588 122.163 120.570 0.008 0.000 2.394 259 I HA 0.008 4.178 4.170 -0.001 0.000 0.251 259 I C 2.056 178.175 176.117 0.002 0.000 1.136 259 I CA 1.864 63.168 61.300 0.006 0.000 1.425 259 I CB -1.206 36.796 38.000 0.003 0.000 1.079 259 I HN 0.300 nan 8.210 nan 0.000 0.425 260 S N 1.979 117.676 115.700 -0.004 0.000 3.965 260 S HA 0.273 4.743 4.470 -0.001 0.000 0.195 260 S C 0.555 175.152 174.600 -0.006 0.000 1.449 260 S CA -0.259 57.936 58.200 -0.008 0.000 0.965 260 S CB -0.449 62.741 63.200 -0.017 0.000 1.459 260 S HN 0.177 nan 8.310 nan 0.000 0.476 261 I N 2.366 122.939 120.570 0.004 0.000 2.752 261 I HA 0.046 4.216 4.170 -0.001 0.000 0.287 261 I C 0.449 176.572 176.117 0.011 0.000 1.188 261 I CA -0.052 61.256 61.300 0.013 0.000 1.427 261 I CB 0.497 38.510 38.000 0.022 0.000 1.365 261 I HN 0.279 nan 8.210 nan 0.000 0.585 262 K N 5.592 126.002 120.400 0.016 0.000 2.202 262 K HA 0.404 4.723 4.320 -0.001 0.000 0.264 262 K C -0.093 176.523 176.600 0.027 0.000 1.010 262 K CA -0.630 55.666 56.287 0.014 0.000 0.940 262 K CB 0.892 33.398 32.500 0.011 0.000 0.983 262 K HN 0.694 nan 8.250 nan 0.000 0.475 263 A N 1.305 124.137 122.820 0.020 0.000 2.445 263 A HA 0.259 4.579 4.320 -0.001 0.000 0.242 263 A C 1.194 178.799 177.584 0.035 0.000 1.075 263 A CA 0.499 52.550 52.037 0.023 0.000 0.777 263 A CB 0.382 19.392 19.000 0.017 0.000 1.013 263 A HN 0.891 nan 8.150 nan 0.000 0.493 264 A N 2.151 124.992 122.820 0.034 0.000 1.940 264 A HA 0.261 4.581 4.320 -0.001 0.000 0.219 264 A C 1.617 179.226 177.584 0.042 0.000 1.176 264 A CA 1.473 53.534 52.037 0.041 0.000 0.631 264 A CB -1.026 17.992 19.000 0.030 0.000 0.814 264 A HN 2.077 nan 8.150 nan 0.000 0.446 265 A N -0.071 122.767 122.820 0.031 0.000 2.526 265 A HA 0.357 4.676 4.320 -0.001 0.000 0.267 265 A C 0.618 178.221 177.584 0.033 0.000 1.095 265 A CA 0.524 52.578 52.037 0.028 0.000 0.775 265 A CB -1.172 17.840 19.000 0.020 0.000 1.036 265 A HN 0.718 nan 8.150 nan 0.000 0.510 266 N N 0.802 119.526 118.700 0.039 0.000 2.741 266 N HA -0.208 4.532 4.740 -0.001 0.000 0.250 266 N C 0.656 176.204 175.510 0.063 0.000 1.115 266 N CA 0.928 54.005 53.050 0.045 0.000 0.724 266 N CB -1.128 37.377 38.487 0.031 0.000 1.090 266 N HN 0.817 nan 8.380 nan 0.000 0.558 267 M N 0.562 120.216 119.600 0.089 0.000 2.632 267 M HA -0.107 4.372 4.480 -0.001 0.000 0.256 267 M C 1.513 177.963 176.300 0.250 0.000 1.080 267 M CA 1.543 56.926 55.300 0.138 0.000 1.084 267 M CB -0.056 32.650 32.600 0.177 0.000 1.439 267 M HN 0.281 nan 8.290 nan 0.000 0.509 268 D N 0.523 121.037 120.400 0.190 0.000 2.218 268 D HA -0.209 4.431 4.640 -0.001 0.000 0.204 268 D C 1.667 178.085 176.300 0.197 0.000 0.976 268 D CA 1.036 55.160 54.000 0.207 0.000 0.853 268 D CB -0.778 40.083 40.800 0.102 0.000 0.939 268 D HN 0.439 nan 8.370 nan 0.000 0.481 269 L N -0.332 120.959 121.223 0.114 0.000 2.353 269 L HA -0.087 4.253 4.340 -0.001 0.000 0.220 269 L C 2.261 179.149 176.870 0.031 0.000 1.133 269 L CA 0.360 55.238 54.840 0.062 0.000 0.798 269 L CB -0.368 41.708 42.059 0.029 0.000 0.922 269 L HN -0.029 nan 8.230 nan 0.000 0.445 270 M N -0.099 119.503 119.600 0.002 0.000 2.549 270 M HA -0.118 4.362 4.480 -0.001 0.000 0.260 270 M C 2.205 178.391 176.300 -0.190 0.000 1.076 270 M CA 1.159 56.322 55.300 -0.228 0.000 1.090 270 M CB -1.112 31.097 32.600 -0.652 0.000 1.418 270 M HN 0.363 nan 8.290 nan 0.000 0.486 271 R N 0.371 120.974 120.500 0.171 0.000 2.200 271 R HA -0.005 4.335 4.340 -0.001 0.000 0.234 271 R C 1.361 177.697 176.300 0.060 0.000 1.127 271 R CA 1.559 57.801 56.100 0.235 0.000 0.989 271 R CB -0.569 29.859 30.300 0.214 0.000 0.869 271 R HN 0.229 nan 8.270 nan 0.000 0.459 272 A N 0.781 123.604 122.820 0.006 0.000 2.415 272 A HA 0.069 4.389 4.320 -0.001 0.000 0.248 272 A C 0.584 178.136 177.584 -0.053 0.000 1.299 272 A CA 0.063 52.088 52.037 -0.020 0.000 0.899 272 A CB 0.065 19.056 19.000 -0.014 0.000 0.997 272 A HN 0.290 nan 8.150 nan 0.000 0.506 273 D N -0.074 120.272 120.400 -0.091 0.000 2.349 273 D HA -0.002 4.638 4.640 -0.001 0.000 0.224 273 D C 1.300 177.528 176.300 -0.121 0.000 1.029 273 D CA 0.612 54.542 54.000 -0.115 0.000 0.879 273 D CB 0.063 40.759 40.800 -0.173 0.000 0.906 273 D HN 0.471 nan 8.370 nan 0.000 0.528 274 M N -2.579 116.947 119.600 -0.124 0.000 2.493 274 M HA 0.417 4.897 4.480 -0.001 0.000 0.244 274 M C 1.655 177.874 176.300 -0.135 0.000 1.182 274 M CA -0.258 54.925 55.300 -0.195 0.000 0.981 274 M CB -0.250 32.171 32.600 -0.299 0.000 1.551 274 M HN -0.151 nan 8.290 nan 0.000 0.476 275 G N 0.502 109.261 108.800 -0.068 0.000 2.509 275 G HA2 0.086 4.045 3.960 -0.001 0.000 0.218 275 G HA3 0.086 4.045 3.960 -0.001 0.000 0.218 275 G C 1.321 176.212 174.900 -0.014 0.000 1.124 275 G CA 0.532 45.617 45.100 -0.024 0.000 0.776 275 G HN 0.624 nan 8.290 nan 0.000 0.547 276 G N 0.947 109.726 108.800 -0.035 0.000 2.395 276 G HA2 0.144 4.103 3.960 -0.001 0.000 0.214 276 G HA3 0.144 4.103 3.960 -0.001 0.000 0.214 276 G C 1.985 176.880 174.900 -0.009 0.000 1.177 276 G CA 1.242 46.335 45.100 -0.010 0.000 0.794 276 G HN 0.499 nan 8.290 nan 0.000 0.532 277 A N 1.118 123.887 122.820 -0.083 0.000 1.930 277 A HA 0.356 4.676 4.320 -0.001 0.000 0.217 277 A C 2.764 180.446 177.584 0.163 0.000 1.175 277 A CA 2.027 54.020 52.037 -0.073 0.000 0.627 277 A CB -0.686 18.069 19.000 -0.407 0.000 0.815 277 A HN 0.674 nan 8.150 nan 0.000 0.443 278 A N -0.893 122.036 122.820 0.182 0.000 1.845 278 A HA -0.119 4.201 4.320 -0.001 0.000 0.215 278 A C 2.322 179.961 177.584 0.091 0.000 1.195 278 A CA 2.401 54.590 52.037 0.253 0.000 0.616 278 A CB -1.472 17.626 19.000 0.163 0.000 0.832 278 A HN 0.392 nan 8.150 nan 0.000 0.443 279 T N 0.745 115.328 114.554 0.047 0.000 2.635 279 T HA -0.227 4.122 4.350 -0.001 0.000 0.267 279 T C 1.850 176.555 174.700 0.007 0.000 1.040 279 T CA 2.317 64.428 62.100 0.017 0.000 1.156 279 T CB -0.709 68.175 68.868 0.028 0.000 0.863 279 T HN 0.692 nan 8.240 nan 0.000 0.430 280 I N -0.557 120.042 120.570 0.048 0.000 2.315 280 I HA -0.027 4.142 4.170 -0.001 0.000 0.248 280 I C 2.495 178.562 176.117 -0.083 0.000 1.117 280 I CA 1.102 62.421 61.300 0.032 0.000 1.404 280 I CB -1.014 37.106 38.000 0.200 0.000 1.071 280 I HN 0.179 nan 8.210 nan 0.000 0.419 281 C N 0.717 120.008 119.300 -0.015 0.000 2.450 281 C HA -0.029 4.430 4.460 -0.001 0.000 0.279 281 C C 3.085 177.998 174.990 -0.127 0.000 1.335 281 C CA 1.320 60.305 59.018 -0.055 0.000 1.749 281 C CB -1.259 26.495 27.740 0.025 0.000 1.963 281 C HN 0.630 nan 8.230 nan 0.000 0.501 282 S N 0.866 116.497 115.700 -0.115 0.000 2.387 282 S HA -0.053 4.417 4.470 -0.001 0.000 0.226 282 S C 2.160 176.644 174.600 -0.193 0.000 1.026 282 S CA 1.193 59.304 58.200 -0.149 0.000 0.972 282 S CB -0.335 62.791 63.200 -0.123 0.000 0.814 282 S HN 0.706 nan 8.310 nan 0.000 0.477 283 A N 1.761 124.456 122.820 -0.208 0.000 1.969 283 A HA -0.026 4.293 4.320 -0.001 0.000 0.218 283 A C 1.952 179.342 177.584 -0.325 0.000 1.169 283 A CA 0.975 52.849 52.037 -0.273 0.000 0.635 283 A CB -0.541 18.289 19.000 -0.283 0.000 0.810 283 A HN 0.437 nan 8.150 nan 0.000 0.445 284 I N -0.283 120.091 120.570 -0.326 0.000 2.202 284 I HA -0.154 4.015 4.170 -0.001 0.000 0.242 284 I C 2.437 178.381 176.117 -0.289 0.000 1.091 284 I CA 1.084 62.208 61.300 -0.293 0.000 1.368 284 I CB -1.409 36.463 38.000 -0.213 0.000 1.058 284 I HN 0.122 nan 8.210 nan 0.000 0.410 285 V N 1.154 120.919 119.914 -0.248 0.000 2.324 285 V HA -0.270 3.849 4.120 -0.001 0.000 0.250 285 V C 2.619 178.557 176.094 -0.261 0.000 1.060 285 V CA 2.235 64.392 62.300 -0.238 0.000 1.042 285 V CB -0.685 31.022 31.823 -0.194 0.000 0.650 285 V HN 0.399 nan 8.190 nan 0.000 0.450 286 S N -0.193 115.350 115.700 -0.263 0.000 2.414 286 S HA 0.014 4.483 4.470 -0.001 0.000 0.227 286 S C 2.158 176.589 174.600 -0.281 0.000 1.022 286 S CA 1.003 59.041 58.200 -0.269 0.000 0.958 286 S CB -0.256 62.749 63.200 -0.324 0.000 0.797 286 S HN 0.639 nan 8.310 nan 0.000 0.493 287 A N 1.821 124.459 122.820 -0.303 0.000 1.898 287 A HA 0.172 4.492 4.320 -0.001 0.000 0.216 287 A C 2.346 179.670 177.584 -0.433 0.000 1.181 287 A CA 1.550 53.432 52.037 -0.258 0.000 0.620 287 A CB -1.026 17.857 19.000 -0.195 0.000 0.819 287 A HN 0.500 nan 8.150 nan 0.000 0.442 288 A N -0.407 121.933 122.820 -0.801 0.000 1.930 288 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 288 A C 2.093 179.410 177.584 -0.446 0.000 1.175 288 A CA 1.860 53.206 52.037 -1.152 0.000 0.627 288 A CB -0.369 18.054 19.000 -0.962 0.000 0.815 288 A HN 0.513 nan 8.150 nan 0.000 0.443 289 K N -1.136 119.096 120.400 -0.280 0.000 2.097 289 K HA -0.006 4.314 4.320 -0.001 0.000 0.205 289 K C 1.539 178.095 176.600 -0.074 0.000 1.050 289 K CA 0.934 57.135 56.287 -0.143 0.000 0.938 289 K CB -0.168 32.255 32.500 -0.129 0.000 0.718 289 K HN 0.326 nan 8.250 nan 0.000 0.442 290 L N 1.151 122.330 121.223 -0.074 0.000 2.478 290 L HA -0.036 4.303 4.340 -0.001 0.000 0.223 290 L C -0.361 176.552 176.870 0.071 0.000 1.140 290 L CA 1.119 55.973 54.840 0.024 0.000 0.842 290 L CB -0.488 41.599 42.059 0.047 0.000 0.953 290 L HN 0.248 nan 8.230 nan 0.000 0.452 291 D N -0.421 119.999 120.400 0.033 0.000 2.704 291 D HA -0.230 4.410 4.640 -0.001 0.000 0.232 291 D C -0.236 176.193 176.300 0.214 0.000 1.183 291 D CA 0.164 54.253 54.000 0.148 0.000 0.647 291 D CB -0.520 40.357 40.800 0.129 0.000 1.013 291 D HN -0.054 nan 8.370 nan 0.000 0.415 292 L N 1.130 122.491 121.223 0.230 0.000 2.490 292 L HA 0.175 4.514 4.340 -0.001 0.000 0.274 292 L C -1.167 175.826 176.870 0.206 0.000 1.201 292 L CA -0.997 53.967 54.840 0.207 0.000 0.869 292 L CB 0.147 42.319 42.059 0.188 0.000 1.123 292 L HN 0.146 nan 8.230 nan 0.000 0.484 293 P HA 0.127 nan 4.420 nan 0.000 0.226 293 P C -0.677 176.643 177.300 0.033 0.000 1.758 293 P CA 0.187 63.314 63.100 0.045 0.000 0.896 293 P CB -0.526 31.186 31.700 0.020 0.000 1.784 294 I N -3.378 117.222 120.570 0.049 0.000 2.934 294 I HA 0.557 4.727 4.170 -0.001 0.000 0.306 294 I C -0.727 175.366 176.117 -0.040 0.000 1.110 294 I CA -1.484 59.853 61.300 0.062 0.000 1.019 294 I CB 1.987 40.089 38.000 0.170 0.000 1.227 294 I HN -0.327 nan 8.210 nan 0.000 0.434 295 N N 4.264 122.960 118.700 -0.007 0.000 2.434 295 N HA 0.637 5.376 4.740 -0.001 0.000 0.272 295 N C -1.020 174.519 175.510 0.049 0.000 1.040 295 N CA -0.148 52.880 53.050 -0.038 0.000 0.956 295 N CB 1.626 40.104 38.487 -0.015 0.000 1.108 295 N HN 0.541 nan 8.380 nan 0.000 0.481 296 I N 1.183 121.807 120.570 0.089 0.000 2.534 296 I HA 0.355 4.524 4.170 -0.001 0.000 0.288 296 I C -0.467 175.728 176.117 0.130 0.000 1.077 296 I CA -1.041 60.343 61.300 0.140 0.000 1.051 296 I CB 2.088 40.180 38.000 0.152 0.000 1.234 296 I HN -0.078 nan 8.210 nan 0.000 0.425 297 V N 3.860 123.825 119.914 0.085 0.000 2.547 297 V HA 0.732 4.852 4.120 -0.001 0.000 0.299 297 V C 0.454 176.565 176.094 0.029 0.000 1.040 297 V CA -0.382 61.927 62.300 0.015 0.000 0.913 297 V CB 1.892 33.506 31.823 -0.348 0.000 0.992 297 V HN 0.924 nan 8.190 nan 0.000 0.449 298 G N 4.037 112.839 108.800 0.002 0.000 2.487 298 G HA2 0.652 4.612 3.960 -0.001 0.000 0.314 298 G HA3 0.652 4.612 3.960 -0.001 0.000 0.314 298 G C -1.596 173.308 174.900 0.006 0.000 1.267 298 G CA -0.346 44.769 45.100 0.024 0.000 0.937 298 G HN 0.403 nan 8.290 nan 0.000 0.481 299 L N 1.675 122.920 121.223 0.036 0.000 2.381 299 L HA 0.829 5.169 4.340 -0.001 0.000 0.274 299 L C -0.034 176.735 176.870 -0.168 0.000 0.988 299 L CA -0.855 53.984 54.840 -0.001 0.000 0.824 299 L CB 1.999 44.202 42.059 0.241 0.000 1.263 299 L HN 0.749 nan 8.230 nan 0.000 0.410 300 A N 5.054 127.591 122.820 -0.473 0.000 2.497 300 A HA 0.782 5.102 4.320 -0.001 0.000 0.280 300 A C -2.844 174.289 177.584 -0.752 0.000 1.065 300 A CA -1.142 50.622 52.037 -0.453 0.000 0.781 300 A CB 1.128 19.982 19.000 -0.244 0.000 1.289 300 A HN 0.376 nan 8.150 nan 0.000 0.415 301 P HA 0.406 nan 4.420 nan 0.000 0.282 301 P C -0.827 176.156 177.300 -0.527 0.000 1.274 301 P CA -0.096 62.453 63.100 -0.919 0.000 0.770 301 P CB 0.734 31.700 31.700 -1.222 0.000 0.867 302 L N 4.962 126.038 121.223 -0.245 0.000 2.316 302 L HA 0.477 4.816 4.340 -0.001 0.000 0.280 302 L C 0.378 177.315 176.870 0.112 0.000 1.006 302 L CA -0.545 54.227 54.840 -0.113 0.000 0.836 302 L CB 0.526 42.505 42.059 -0.134 0.000 1.221 302 L HN 0.648 nan 8.230 nan 0.000 0.418 303 C N 0.803 120.162 119.300 0.098 0.000 3.318 303 C HA 0.741 5.201 4.460 -0.001 0.000 0.322 303 C C -0.204 174.831 174.990 0.076 0.000 1.398 303 C CA -0.906 58.198 59.018 0.143 0.000 1.339 303 C CB 2.114 30.006 27.740 0.253 0.000 1.668 303 C HN 0.819 nan 8.230 nan 0.000 0.462 304 E N 0.790 121.039 120.200 0.082 0.000 2.250 304 E HA 0.320 4.670 4.350 -0.001 0.000 0.269 304 E C -0.725 175.916 176.600 0.068 0.000 1.018 304 E CA -0.361 56.090 56.400 0.085 0.000 0.873 304 E CB 1.115 30.888 29.700 0.121 0.000 1.134 304 E HN 0.679 nan 8.360 nan 0.000 0.403 305 N N 2.509 121.241 118.700 0.053 0.000 2.706 305 N HA 0.162 4.901 4.740 -0.001 0.000 0.240 305 N C -1.134 174.414 175.510 0.063 0.000 1.039 305 N CA -0.323 52.747 53.050 0.032 0.000 0.888 305 N CB 0.380 38.855 38.487 -0.020 0.000 1.128 305 N HN 0.266 nan 8.380 nan 0.000 0.512 306 M N 2.785 122.427 119.600 0.070 0.000 2.578 306 M HA 0.519 4.998 4.480 -0.001 0.000 0.321 306 M C -2.438 173.892 176.300 0.050 0.000 1.182 306 M CA -2.348 53.001 55.300 0.080 0.000 0.965 306 M CB 1.243 33.890 32.600 0.078 0.000 1.694 306 M HN 0.323 nan 8.290 nan 0.000 0.461 307 P HA 0.351 nan 4.420 nan 0.000 0.285 307 P C -0.975 176.340 177.300 0.025 0.000 1.259 307 P CA -0.064 63.055 63.100 0.030 0.000 0.794 307 P CB 1.091 32.809 31.700 0.031 0.000 0.940 308 S N 0.721 116.432 115.700 0.017 0.000 2.724 308 S HA 0.512 4.982 4.470 -0.001 0.000 0.278 308 S C 0.926 175.531 174.600 0.009 0.000 1.190 308 S CA -0.239 57.968 58.200 0.013 0.000 0.860 308 S CB 0.419 63.627 63.200 0.014 0.000 1.206 308 S HN 0.365 nan 8.310 nan 0.000 0.507 309 G N 0.216 109.020 108.800 0.007 0.000 2.956 309 G HA2 0.192 4.152 3.960 -0.001 0.000 0.207 309 G HA3 0.192 4.152 3.960 -0.001 0.000 0.207 309 G C 0.639 175.541 174.900 0.003 0.000 1.162 309 G CA 0.529 45.632 45.100 0.005 0.000 0.796 309 G HN 0.890 nan 8.290 nan 0.000 0.527 310 K N -1.181 119.221 120.400 0.003 0.000 2.586 310 K HA 0.612 4.932 4.320 -0.001 0.000 0.198 310 K C 0.742 177.343 176.600 0.001 0.000 1.170 310 K CA -0.219 56.068 56.287 0.001 0.000 1.069 310 K CB 0.642 33.141 32.500 -0.001 0.000 0.944 310 K HN 0.083 nan 8.250 nan 0.000 0.572 311 A N 1.717 124.539 122.820 0.004 0.000 2.346 311 A HA 0.144 4.464 4.320 -0.001 0.000 0.255 311 A C -0.378 177.207 177.584 0.002 0.000 1.113 311 A CA -0.281 51.759 52.037 0.005 0.000 0.798 311 A CB -0.111 18.895 19.000 0.010 0.000 1.073 311 A HN 0.476 nan 8.150 nan 0.000 0.502 312 N N -0.319 118.382 118.700 0.002 0.000 2.492 312 N HA 0.215 4.955 4.740 -0.001 0.000 0.262 312 N C -0.586 174.924 175.510 -0.000 0.000 1.202 312 N CA 0.293 53.343 53.050 0.000 0.000 0.926 312 N CB 0.357 38.843 38.487 -0.001 0.000 1.078 312 N HN 0.475 nan 8.380 nan 0.000 0.454 313 K N 2.992 123.392 120.400 -0.000 0.000 2.164 313 K HA 0.353 4.673 4.320 -0.001 0.000 0.258 313 K C -2.390 174.209 176.600 -0.001 0.000 0.951 313 K CA -1.814 54.473 56.287 -0.000 0.000 0.844 313 K CB 1.492 33.992 32.500 0.001 0.000 1.099 313 K HN 0.371 nan 8.250 nan 0.000 0.435 314 P HA -0.126 nan 4.420 nan 0.000 0.260 314 P C 0.512 177.812 177.300 -0.001 0.000 1.172 314 P CA 1.041 64.139 63.100 -0.004 0.000 0.760 314 P CB 0.575 32.271 31.700 -0.006 0.000 0.773 315 G N 2.568 111.369 108.800 0.001 0.000 2.238 315 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 315 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 315 G C -0.082 174.824 174.900 0.009 0.000 0.996 315 G CA -0.287 44.815 45.100 0.004 0.000 0.632 315 G HN 0.501 nan 8.290 nan 0.000 0.503 316 D N 0.570 120.975 120.400 0.009 0.000 2.472 316 D HA 0.411 5.051 4.640 -0.001 0.000 0.237 316 D C 0.421 176.732 176.300 0.020 0.000 1.141 316 D CA 0.387 54.394 54.000 0.011 0.000 0.875 316 D CB 1.630 42.435 40.800 0.008 0.000 1.192 316 D HN 0.226 nan 8.370 nan 0.000 0.450 317 V N 2.811 122.737 119.914 0.020 0.000 2.417 317 V HA 0.378 4.498 4.120 -0.001 0.000 0.291 317 V C 0.069 176.179 176.094 0.027 0.000 1.024 317 V CA -0.712 61.605 62.300 0.029 0.000 0.861 317 V CB 1.645 33.483 31.823 0.025 0.000 0.985 317 V HN 0.391 nan 8.190 nan 0.000 0.436 318 V N 2.886 122.824 119.914 0.040 0.000 2.769 318 V HA 0.680 4.800 4.120 -0.001 0.000 0.312 318 V C -0.232 175.891 176.094 0.048 0.000 1.061 318 V CA -1.083 61.238 62.300 0.035 0.000 0.931 318 V CB 1.824 33.668 31.823 0.034 0.000 1.010 318 V HN 0.847 nan 8.190 nan 0.000 0.433 319 R N 2.842 123.363 120.500 0.034 0.000 2.229 319 R HA 0.702 5.042 4.340 -0.001 0.000 0.328 319 R C 0.192 176.523 176.300 0.050 0.000 1.009 319 R CA 0.047 56.172 56.100 0.043 0.000 0.864 319 R CB 1.218 31.530 30.300 0.020 0.000 1.085 319 R HN 1.139 nan 8.270 nan 0.000 0.453 320 A N 3.786 126.662 122.820 0.093 0.000 2.406 320 A HA 0.084 4.403 4.320 -0.001 0.000 0.243 320 A C 1.277 178.910 177.584 0.081 0.000 1.082 320 A CA -0.212 51.885 52.037 0.100 0.000 0.786 320 A CB 0.378 19.518 19.000 0.233 0.000 1.029 320 A HN 1.063 nan 8.150 nan 0.000 0.495 321 R N 0.617 121.155 120.500 0.062 0.000 2.165 321 R HA -0.247 4.093 4.340 -0.001 0.000 0.254 321 R C 1.353 177.676 176.300 0.039 0.000 1.153 321 R CA 2.301 58.422 56.100 0.035 0.000 0.971 321 R CB -0.278 30.051 30.300 0.048 0.000 0.878 321 R HN 0.956 nan 8.270 nan 0.000 0.449 322 N N -0.921 117.827 118.700 0.080 0.000 2.461 322 N HA 0.014 4.753 4.740 -0.001 0.000 0.188 322 N C 1.000 176.511 175.510 0.002 0.000 1.134 322 N CA 1.144 54.214 53.050 0.033 0.000 0.878 322 N CB 0.509 39.015 38.487 0.032 0.000 0.972 322 N HN 0.399 nan 8.380 nan 0.000 0.456 323 G N -0.314 108.500 108.800 0.024 0.000 2.241 323 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.244 323 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.244 323 G C -0.101 174.804 174.900 0.009 0.000 0.998 323 G CA 0.155 45.256 45.100 0.003 0.000 0.621 323 G HN 0.475 nan 8.290 nan 0.000 0.519 324 K N 1.855 122.267 120.400 0.019 0.000 2.355 324 K HA 0.446 4.765 4.320 -0.001 0.000 0.270 324 K C 0.833 177.480 176.600 0.079 0.000 1.003 324 K CA 0.668 56.961 56.287 0.009 0.000 0.957 324 K CB 0.566 33.022 32.500 -0.075 0.000 0.939 324 K HN 0.412 nan 8.250 nan 0.000 0.482 325 T N -0.423 114.162 114.554 0.050 0.000 2.875 325 T HA 0.528 4.878 4.350 -0.001 0.000 0.284 325 T C 0.105 174.868 174.700 0.104 0.000 0.995 325 T CA -0.808 61.331 62.100 0.066 0.000 1.060 325 T CB 0.486 69.374 68.868 0.034 0.000 0.967 325 T HN 0.328 nan 8.240 nan 0.000 0.476 326 I N 2.210 122.859 120.570 0.132 0.000 2.406 326 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 326 I C 0.222 176.415 176.117 0.127 0.000 0.999 326 I CA -0.767 60.644 61.300 0.186 0.000 1.124 326 I CB 2.069 40.229 38.000 0.267 0.000 1.289 326 I HN 0.683 nan 8.210 nan 0.000 0.441 327 Q N 5.225 125.093 119.800 0.113 0.000 2.295 327 Q HA 0.291 4.631 4.340 -0.001 0.000 0.259 327 Q C -0.884 175.157 176.000 0.069 0.000 0.976 327 Q CA -0.423 55.423 55.803 0.071 0.000 0.923 327 Q CB 1.228 29.998 28.738 0.052 0.000 1.185 327 Q HN 0.532 nan 8.270 nan 0.000 0.410 328 V N 5.781 125.720 119.914 0.042 0.000 2.096 328 V HA -0.012 4.108 4.120 -0.001 0.000 0.259 328 V C 0.267 176.361 176.094 0.000 0.000 1.420 328 V CA -0.014 62.296 62.300 0.015 0.000 1.336 328 V CB 0.300 32.129 31.823 0.010 0.000 1.394 328 V HN 0.828 nan 8.190 nan 0.000 0.494 329 D N 1.703 122.102 120.400 -0.002 0.000 2.219 329 D HA -0.053 4.586 4.640 -0.001 0.000 0.205 329 D C 0.936 177.224 176.300 -0.021 0.000 0.970 329 D CA 1.184 55.178 54.000 -0.010 0.000 0.851 329 D CB 0.169 40.962 40.800 -0.012 0.000 0.943 329 D HN 0.501 nan 8.370 nan 0.000 0.488 330 N N -0.824 117.856 118.700 -0.033 0.000 2.430 330 N HA 0.076 4.815 4.740 -0.001 0.000 0.290 330 N C 0.041 175.523 175.510 -0.048 0.000 1.063 330 N CA -0.016 53.011 53.050 -0.039 0.000 0.883 330 N CB 1.628 40.087 38.487 -0.047 0.000 1.465 330 N HN -0.319 nan 8.380 nan 0.000 0.493 331 T N 0.977 115.509 114.554 -0.036 0.000 3.035 331 T HA -0.071 4.279 4.350 -0.001 0.000 0.268 331 T C 0.697 175.369 174.700 -0.048 0.000 1.109 331 T CA 0.876 62.955 62.100 -0.035 0.000 1.119 331 T CB -0.002 68.855 68.868 -0.019 0.000 0.900 331 T HN 0.453 nan 8.240 nan 0.000 0.503 332 D N 1.043 121.410 120.400 -0.055 0.000 2.325 332 D HA 0.242 4.882 4.640 -0.001 0.000 0.225 332 D C 0.508 176.754 176.300 -0.089 0.000 1.096 332 D CA -0.187 53.773 54.000 -0.067 0.000 0.844 332 D CB -0.075 40.691 40.800 -0.055 0.000 0.925 332 D HN 0.287 nan 8.370 nan 0.000 0.513 333 A N 1.081 123.837 122.820 -0.107 0.000 3.215 333 A HA 0.213 4.533 4.320 -0.001 0.000 0.320 333 A C 1.160 178.636 177.584 -0.180 0.000 1.084 333 A CA -0.478 51.465 52.037 -0.157 0.000 0.969 333 A CB 0.070 18.957 19.000 -0.188 0.000 1.064 333 A HN 0.137 nan 8.150 nan 0.000 0.513 334 E N 0.154 120.276 120.200 -0.131 0.000 2.364 334 E HA 0.013 4.362 4.350 -0.001 0.000 0.196 334 E C 1.414 177.953 176.600 -0.101 0.000 0.990 334 E CA 1.085 57.425 56.400 -0.100 0.000 0.886 334 E CB -0.792 28.873 29.700 -0.058 0.000 0.866 334 E HN 0.374 nan 8.360 nan 0.000 0.493 335 G N 1.873 110.602 108.800 -0.118 0.000 2.418 335 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 335 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 335 G C 1.612 176.440 174.900 -0.121 0.000 1.158 335 G CA 0.780 45.817 45.100 -0.105 0.000 0.771 335 G HN 0.145 nan 8.290 nan 0.000 0.545 336 R N 0.459 120.830 120.500 -0.214 0.000 2.113 336 R HA -0.035 4.305 4.340 -0.001 0.000 0.244 336 R C 2.628 178.831 176.300 -0.162 0.000 1.142 336 R CA 0.905 56.807 56.100 -0.330 0.000 0.953 336 R CB -1.306 28.420 30.300 -0.956 0.000 0.860 336 R HN 0.448 nan 8.270 nan 0.000 0.438 337 L N -0.557 120.566 121.223 -0.167 0.000 2.056 337 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 337 L C 2.343 179.210 176.870 -0.006 0.000 1.078 337 L CA 1.040 55.851 54.840 -0.049 0.000 0.749 337 L CB -0.402 41.638 42.059 -0.032 0.000 0.901 337 L HN 0.073 nan 8.230 nan 0.000 0.433 338 I N -0.320 120.250 120.570 -0.001 0.000 2.315 338 I HA -0.285 3.884 4.170 -0.001 0.000 0.248 338 I C 2.277 178.365 176.117 -0.049 0.000 1.117 338 I CA 1.300 62.596 61.300 -0.007 0.000 1.404 338 I CB -0.010 37.951 38.000 -0.064 0.000 1.071 338 I HN 0.163 nan 8.210 nan 0.000 0.419 339 L N -0.385 120.814 121.223 -0.041 0.000 2.240 339 L HA -0.078 4.261 4.340 -0.001 0.000 0.211 339 L C 2.696 179.552 176.870 -0.023 0.000 1.106 339 L CA 0.754 55.593 54.840 -0.001 0.000 0.793 339 L CB -0.736 41.336 42.059 0.022 0.000 0.927 339 L HN 0.219 nan 8.230 nan 0.000 0.446 340 A N 0.414 123.133 122.820 -0.169 0.000 1.865 340 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 340 A C 1.951 179.399 177.584 -0.226 0.000 1.191 340 A CA 2.195 53.879 52.037 -0.590 0.000 0.623 340 A CB -0.487 17.846 19.000 -1.113 0.000 0.826 340 A HN 0.332 nan 8.150 nan 0.000 0.444 341 D N -0.401 119.966 120.400 -0.056 0.000 2.149 341 D HA 0.039 4.679 4.640 -0.001 0.000 0.201 341 D C 2.216 178.650 176.300 0.222 0.000 0.972 341 D CA 1.401 55.463 54.000 0.103 0.000 0.835 341 D CB -0.371 40.532 40.800 0.172 0.000 0.966 341 D HN 0.419 nan 8.370 nan 0.000 0.476 342 A N 0.508 123.484 122.820 0.261 0.000 1.968 342 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 342 A C 2.320 180.142 177.584 0.397 0.000 1.169 342 A CA 0.633 52.935 52.037 0.441 0.000 0.638 342 A CB -0.547 18.641 19.000 0.314 0.000 0.812 342 A HN 0.183 nan 8.150 nan 0.000 0.446 343 L N -1.193 120.188 121.223 0.264 0.000 2.156 343 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 343 L C 2.722 179.805 176.870 0.354 0.000 1.095 343 L CA 0.938 55.928 54.840 0.250 0.000 0.770 343 L CB -0.488 41.664 42.059 0.155 0.000 0.914 343 L HN 0.655 nan 8.230 nan 0.000 0.439 344 C N -0.790 118.699 119.300 0.314 0.000 2.446 344 C HA -0.225 4.235 4.460 -0.001 0.000 0.277 344 C C 2.821 178.021 174.990 0.349 0.000 1.275 344 C CA 0.406 59.593 59.018 0.281 0.000 1.727 344 C CB -0.620 27.234 27.740 0.190 0.000 2.010 344 C HN 0.594 nan 8.230 nan 0.000 0.486 345 Y N 2.167 122.601 120.300 0.223 0.000 2.207 345 Y HA -0.082 4.468 4.550 -0.001 0.000 0.287 345 Y C 2.409 178.509 175.900 0.333 0.000 1.156 345 Y CA 1.626 59.862 58.100 0.226 0.000 1.182 345 Y CB -0.783 37.822 38.460 0.242 0.000 0.979 345 Y HN 0.371 nan 8.280 nan 0.000 0.521 346 A N -0.822 122.184 122.820 0.311 0.000 2.024 346 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 346 A C 1.683 179.317 177.584 0.084 0.000 1.164 346 A CA 1.955 54.137 52.037 0.242 0.000 0.643 346 A CB -1.060 18.012 19.000 0.120 0.000 0.806 346 A HN 0.697 nan 8.150 nan 0.000 0.451 347 H N -1.250 117.864 119.070 0.073 0.000 2.495 347 H HA -0.002 4.554 4.556 -0.001 0.000 0.287 347 H C 2.167 177.465 175.328 -0.051 0.000 1.033 347 H CA 1.499 57.578 56.048 0.050 0.000 1.307 347 H CB -0.264 29.524 29.762 0.044 0.000 1.401 347 H HN 0.398 nan 8.280 nan 0.000 0.555 348 T N 0.235 114.714 114.554 -0.126 0.000 2.759 348 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 348 T C 1.116 175.523 174.700 -0.487 0.000 1.042 348 T CA 1.133 63.006 62.100 -0.378 0.000 1.140 348 T CB -0.338 68.115 68.868 -0.691 0.000 0.864 348 T HN 0.259 nan 8.240 nan 0.000 0.455 349 F N 1.444 121.324 119.950 -0.117 0.000 2.699 349 F HA 0.187 4.714 4.527 -0.001 0.000 0.298 349 F C 1.380 177.166 175.800 -0.024 0.000 1.154 349 F CA -0.133 57.823 58.000 -0.073 0.000 1.457 349 F CB -0.706 38.257 39.000 -0.063 0.000 1.106 349 F HN 0.121 nan 8.300 nan 0.000 0.585 350 N N 0.980 119.717 118.700 0.062 0.000 2.671 350 N HA -0.141 4.599 4.740 -0.001 0.000 0.261 350 N C -2.547 173.042 175.510 0.133 0.000 1.053 350 N CA 0.074 53.179 53.050 0.091 0.000 0.732 350 N CB -0.387 38.132 38.487 0.054 0.000 0.887 350 N HN 0.122 nan 8.380 nan 0.000 0.546 351 P HA 0.062 nan 4.420 nan 0.000 0.274 351 P C 0.390 177.800 177.300 0.183 0.000 1.246 351 P CA -0.085 63.074 63.100 0.099 0.000 0.795 351 P CB 0.739 32.411 31.700 -0.047 0.000 1.006 352 K N -0.531 119.940 120.400 0.117 0.000 2.284 352 K HA 0.254 4.574 4.320 -0.001 0.000 0.198 352 K C 0.265 176.964 176.600 0.165 0.000 1.048 352 K CA 0.442 56.833 56.287 0.174 0.000 0.987 352 K CB 0.396 32.986 32.500 0.149 0.000 0.800 352 K HN 0.173 nan 8.250 nan 0.000 0.486 353 V N 1.417 121.296 119.914 -0.059 0.000 2.969 353 V HA 0.359 4.479 4.120 -0.001 0.000 0.304 353 V C -1.677 174.233 176.094 -0.306 0.000 1.192 353 V CA -0.794 61.435 62.300 -0.117 0.000 0.962 353 V CB 2.605 34.430 31.823 0.002 0.000 1.045 353 V HN 0.031 nan 8.190 nan 0.000 0.428 354 I N 5.317 125.716 120.570 -0.285 0.000 2.447 354 I HA 0.556 4.725 4.170 -0.001 0.000 0.287 354 I C -1.065 174.998 176.117 -0.091 0.000 1.023 354 I CA -0.408 60.789 61.300 -0.172 0.000 1.083 354 I CB 1.942 39.886 38.000 -0.093 0.000 1.245 354 I HN 0.387 nan 8.210 nan 0.000 0.434 355 I N 6.046 126.443 120.570 -0.288 0.000 2.447 355 I HA 0.270 4.439 4.170 -0.001 0.000 0.287 355 I C -0.704 175.317 176.117 -0.160 0.000 1.023 355 I CA -0.521 60.555 61.300 -0.373 0.000 1.083 355 I CB 1.970 39.438 38.000 -0.887 0.000 1.245 355 I HN 0.625 nan 8.210 nan 0.000 0.434 356 N N 5.540 124.265 118.700 0.041 0.000 2.335 356 N HA 0.856 5.596 4.740 -0.001 0.000 0.304 356 N C -1.148 174.433 175.510 0.118 0.000 1.135 356 N CA -0.624 52.514 53.050 0.147 0.000 0.817 356 N CB 2.195 40.864 38.487 0.303 0.000 1.294 356 N HN 0.562 nan 8.380 nan 0.000 0.497 357 A N 0.331 123.222 122.820 0.119 0.000 2.401 357 A HA 0.953 5.272 4.320 -0.001 0.000 0.310 357 A C -1.187 176.451 177.584 0.089 0.000 1.075 357 A CA -0.507 51.578 52.037 0.079 0.000 0.746 357 A CB 1.350 20.388 19.000 0.063 0.000 1.277 357 A HN 1.229 nan 8.150 nan 0.000 0.425 358 A N 0.496 123.362 122.820 0.076 0.000 2.565 358 A HA 0.624 4.944 4.320 -0.001 0.000 0.298 358 A C -0.231 177.381 177.584 0.047 0.000 1.062 358 A CA 0.172 52.251 52.037 0.070 0.000 0.723 358 A CB 0.425 19.499 19.000 0.123 0.000 1.282 358 A HN 1.870 nan 8.150 nan 0.000 0.400 359 T N 1.608 116.166 114.554 0.006 0.000 4.104 359 T HA 0.321 4.671 4.350 -0.001 0.000 0.285 359 T C 0.944 175.638 174.700 -0.010 0.000 1.346 359 T CA -0.231 61.864 62.100 -0.008 0.000 1.158 359 T CB -0.485 68.364 68.868 -0.033 0.000 1.290 359 T HN 0.523 nan 8.240 nan 0.000 0.975 360 L N 1.932 123.169 121.223 0.025 0.000 2.102 360 L HA 0.168 4.508 4.340 -0.001 0.000 0.202 360 L C 1.357 178.217 176.870 -0.016 0.000 1.076 360 L CA 1.161 56.010 54.840 0.014 0.000 0.761 360 L CB -0.080 42.026 42.059 0.080 0.000 0.921 360 L HN 0.769 nan 8.230 nan 0.000 0.444 361 T N -5.533 109.022 114.554 0.002 0.000 2.909 361 T HA 0.428 4.778 4.350 -0.001 0.000 0.299 361 T C 0.735 175.433 174.700 -0.003 0.000 1.073 361 T CA -0.164 61.930 62.100 -0.009 0.000 0.999 361 T CB 1.829 70.696 68.868 -0.001 0.000 1.098 361 T HN 0.126 nan 8.240 nan 0.000 0.477 362 G N 0.428 109.221 108.800 -0.011 0.000 2.534 362 G HA2 0.180 4.140 3.960 -0.001 0.000 0.217 362 G HA3 0.180 4.140 3.960 -0.001 0.000 0.217 362 G C 1.485 176.385 174.900 0.001 0.000 1.128 362 G CA 0.569 45.664 45.100 -0.008 0.000 0.784 362 G HN 1.150 nan 8.290 nan 0.000 0.542 363 A N 0.296 123.122 122.820 0.009 0.000 2.014 363 A HA 0.110 4.429 4.320 -0.001 0.000 0.218 363 A C 2.175 179.773 177.584 0.024 0.000 1.163 363 A CA 1.827 53.874 52.037 0.017 0.000 0.652 363 A CB -0.232 18.783 19.000 0.024 0.000 0.808 363 A HN 0.380 nan 8.150 nan 0.000 0.449 364 M N 0.291 119.911 119.600 0.034 0.000 2.254 364 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 364 M C 1.399 177.704 176.300 0.008 0.000 1.066 364 M CA 2.113 57.438 55.300 0.042 0.000 1.123 364 M CB -0.639 32.002 32.600 0.067 0.000 1.388 364 M HN 0.468 nan 8.290 nan 0.000 0.425 365 D N -0.431 119.970 120.400 0.002 0.000 2.117 365 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 365 D C 1.740 178.028 176.300 -0.020 0.000 0.982 365 D CA 1.256 55.249 54.000 -0.011 0.000 0.828 365 D CB 0.086 40.880 40.800 -0.010 0.000 0.967 365 D HN 0.333 nan 8.370 nan 0.000 0.464 366 I N 0.959 121.521 120.570 -0.013 0.000 2.454 366 I HA -0.122 4.048 4.170 -0.001 0.000 0.254 366 I C 2.254 178.352 176.117 -0.031 0.000 1.156 366 I CA 0.775 62.065 61.300 -0.018 0.000 1.433 366 I CB -1.573 36.423 38.000 -0.005 0.000 1.082 366 I HN 0.101 nan 8.210 nan 0.000 0.432 367 A N 0.445 123.246 122.820 -0.031 0.000 1.838 367 A HA -0.056 4.264 4.320 -0.001 0.000 0.215 367 A C 2.148 179.670 177.584 -0.103 0.000 1.273 367 A CA 1.225 53.230 52.037 -0.052 0.000 0.602 367 A CB -0.692 18.291 19.000 -0.029 0.000 0.934 367 A HN 0.278 nan 8.150 nan 0.000 0.461 368 L N -0.987 120.168 121.223 -0.112 0.000 2.362 368 L HA 0.300 4.639 4.340 -0.001 0.000 0.204 368 L C 1.578 178.374 176.870 -0.124 0.000 1.060 368 L CA 1.064 55.799 54.840 -0.174 0.000 0.827 368 L CB -1.207 40.751 42.059 -0.168 0.000 1.027 368 L HN 0.502 nan 8.230 nan 0.000 0.474 369 G N 0.688 109.443 108.800 -0.074 0.000 2.866 369 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.339 369 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.339 369 G C 0.889 175.759 174.900 -0.050 0.000 0.181 369 G CA 1.375 46.447 45.100 -0.046 0.000 1.226 369 G HN 0.847 nan 8.290 nan 0.000 0.395 370 S N -0.662 115.014 115.700 -0.039 0.000 1.251 370 S HA -0.208 4.262 4.470 -0.001 0.000 0.252 370 S C 2.233 176.813 174.600 -0.032 0.000 0.605 370 S CA 1.199 59.379 58.200 -0.033 0.000 1.009 370 S CB -1.505 61.673 63.200 -0.036 0.000 0.989 370 S HN 2.128 nan 8.310 nan 0.000 0.488 371 G N 2.221 110.985 108.800 -0.060 0.000 2.430 371 G HA2 0.585 4.545 3.960 -0.001 0.000 0.216 371 G HA3 0.585 4.545 3.960 -0.001 0.000 0.216 371 G C 0.436 175.318 174.900 -0.030 0.000 1.146 371 G CA 1.042 46.102 45.100 -0.067 0.000 0.793 371 G HN 1.809 nan 8.290 nan 0.000 0.537 372 A N -0.700 122.111 122.820 -0.016 0.000 2.594 372 A HA 0.647 4.967 4.320 -0.001 0.000 0.295 372 A C -0.147 177.475 177.584 0.062 0.000 1.071 372 A CA 0.071 52.147 52.037 0.065 0.000 0.685 372 A CB 0.753 19.845 19.000 0.154 0.000 1.285 372 A HN 0.598 nan 8.150 nan 0.000 0.405 373 T N -0.156 114.448 114.554 0.084 0.000 2.910 373 T HA 0.579 4.929 4.350 -0.001 0.000 0.293 373 T C 0.574 175.310 174.700 0.060 0.000 1.015 373 T CA 0.291 62.422 62.100 0.051 0.000 1.094 373 T CB 1.091 69.980 68.868 0.034 0.000 0.968 373 T HN 1.641 nan 8.240 nan 0.000 0.521 374 G N 1.121 109.924 108.800 0.006 0.000 2.353 374 G HA2 0.508 4.468 3.960 -0.001 0.000 0.284 374 G HA3 0.508 4.468 3.960 -0.001 0.000 0.284 374 G C -0.513 174.297 174.900 -0.149 0.000 1.172 374 G CA -0.538 44.512 45.100 -0.083 0.000 0.854 374 G HN 1.234 nan 8.290 nan 0.000 0.485 375 V N 3.144 122.910 119.914 -0.246 0.000 2.444 375 V HA 0.754 4.874 4.120 -0.001 0.000 0.294 375 V C -1.383 174.469 176.094 -0.404 0.000 1.022 375 V CA -1.236 60.944 62.300 -0.201 0.000 0.850 375 V CB 0.957 32.795 31.823 0.025 0.000 0.992 375 V HN 0.466 nan 8.190 nan 0.000 0.426 376 F N 4.497 124.292 119.950 -0.258 0.000 2.385 376 F HA 0.734 5.260 4.527 -0.001 0.000 0.360 376 F C 0.590 176.180 175.800 -0.350 0.000 1.122 376 F CA -0.221 57.627 58.000 -0.254 0.000 1.090 376 F CB 1.879 40.798 39.000 -0.134 0.000 1.150 376 F HN 0.617 nan 8.300 nan 0.000 0.472 377 T N 2.042 116.521 114.554 -0.125 0.000 2.933 377 T HA 0.227 4.577 4.350 -0.001 0.000 0.305 377 T C 0.431 175.156 174.700 0.041 0.000 1.092 377 T CA -0.852 61.185 62.100 -0.106 0.000 1.008 377 T CB 0.755 69.597 68.868 -0.043 0.000 1.102 377 T HN 0.595 nan 8.240 nan 0.000 0.469 378 N N 2.174 120.963 118.700 0.148 0.000 2.449 378 N HA 0.113 4.853 4.740 -0.001 0.000 0.191 378 N C 0.028 175.663 175.510 0.209 0.000 1.161 378 N CA -0.158 53.024 53.050 0.221 0.000 0.863 378 N CB 0.455 39.134 38.487 0.320 0.000 0.980 378 N HN 0.253 nan 8.380 nan 0.000 0.458 379 S N -0.810 115.012 115.700 0.204 0.000 2.745 379 S HA 0.343 4.812 4.470 -0.001 0.000 0.283 379 S C 0.225 174.981 174.600 0.262 0.000 1.170 379 S CA -0.695 57.660 58.200 0.258 0.000 1.119 379 S CB 0.516 63.917 63.200 0.335 0.000 1.035 379 S HN 0.156 nan 8.310 nan 0.000 0.483 380 S N 3.280 119.129 115.700 0.249 0.000 2.442 380 S HA -0.069 4.401 4.470 -0.001 0.000 0.236 380 S C 1.217 175.973 174.600 0.259 0.000 1.007 380 S CA 0.962 59.323 58.200 0.268 0.000 0.965 380 S CB -0.248 63.076 63.200 0.206 0.000 0.773 380 S HN 0.927 nan 8.310 nan 0.000 0.504 381 W N 1.955 123.343 121.300 0.147 0.000 2.378 381 W HA 0.005 4.664 4.660 -0.001 0.000 0.313 381 W C 1.707 178.307 176.519 0.135 0.000 1.197 381 W CA 0.870 58.293 57.345 0.131 0.000 1.304 381 W CB -0.560 28.980 29.460 0.134 0.000 1.148 381 W HN 0.164 nan 8.180 nan 0.000 0.494 382 L N 0.456 121.753 121.223 0.123 0.000 2.083 382 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 382 L C 2.487 179.280 176.870 -0.129 0.000 1.083 382 L CA 1.852 56.652 54.840 -0.066 0.000 0.752 382 L CB -0.971 41.173 42.059 0.143 0.000 0.899 382 L HN 0.409 nan 8.230 nan 0.000 0.433 383 W N 0.791 122.022 121.300 -0.116 0.000 2.354 383 W HA -0.286 4.373 4.660 -0.001 0.000 0.315 383 W C 2.257 178.722 176.519 -0.090 0.000 1.206 383 W CA 1.529 58.798 57.345 -0.126 0.000 1.290 383 W CB -0.422 28.960 29.460 -0.130 0.000 1.152 383 W HN 0.246 nan 8.180 nan 0.000 0.489 384 N N 1.160 119.556 118.700 -0.506 0.000 2.104 384 N HA -0.205 4.535 4.740 -0.001 0.000 0.190 384 N C 1.563 176.824 175.510 -0.415 0.000 1.024 384 N CA 1.918 54.666 53.050 -0.502 0.000 0.853 384 N CB -0.274 38.064 38.487 -0.248 0.000 1.008 384 N HN 0.046 nan 8.380 nan 0.000 0.424 385 K N 0.725 120.870 120.400 -0.424 0.000 2.009 385 K HA -0.065 4.254 4.320 -0.001 0.000 0.210 385 K C 1.933 178.462 176.600 -0.119 0.000 1.049 385 K CA 0.725 56.862 56.287 -0.249 0.000 0.929 385 K CB -0.653 31.710 32.500 -0.228 0.000 0.714 385 K HN 0.065 nan 8.250 nan 0.000 0.440 386 L N -0.259 120.817 121.223 -0.245 0.000 2.017 386 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 386 L C 2.144 178.837 176.870 -0.295 0.000 1.073 386 L CA 1.480 56.177 54.840 -0.239 0.000 0.745 386 L CB -1.035 40.849 42.059 -0.292 0.000 0.894 386 L HN 0.139 nan 8.230 nan 0.000 0.432 387 F N 0.888 120.406 119.950 -0.721 0.000 2.126 387 F HA -0.225 4.302 4.527 -0.001 0.000 0.299 387 F C 2.397 177.992 175.800 -0.341 0.000 1.096 387 F CA 1.730 59.296 58.000 -0.724 0.000 1.255 387 F CB -0.138 38.077 39.000 -1.309 0.000 0.997 387 F HN 0.247 nan 8.300 nan 0.000 0.479 388 E N -0.111 119.799 120.200 -0.485 0.000 2.072 388 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 388 E C 2.385 178.845 176.600 -0.232 0.000 0.982 388 E CA 0.822 57.003 56.400 -0.366 0.000 0.803 388 E CB -0.421 29.175 29.700 -0.173 0.000 0.755 388 E HN 0.447 nan 8.360 nan 0.000 0.453 389 A N 1.496 124.241 122.820 -0.125 0.000 1.978 389 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 389 A C 2.306 179.857 177.584 -0.054 0.000 1.170 389 A CA 1.933 53.962 52.037 -0.013 0.000 0.636 389 A CB -0.652 18.411 19.000 0.104 0.000 0.810 389 A HN 0.321 nan 8.150 nan 0.000 0.448 390 S N -0.127 115.477 115.700 -0.160 0.000 2.406 390 S HA -0.092 4.378 4.470 -0.001 0.000 0.228 390 S C 1.853 176.405 174.600 -0.079 0.000 1.020 390 S CA 1.131 59.267 58.200 -0.107 0.000 0.965 390 S CB -0.522 62.594 63.200 -0.139 0.000 0.798 390 S HN 0.397 nan 8.310 nan 0.000 0.488 391 I N 1.861 122.304 120.570 -0.212 0.000 2.226 391 I HA -0.116 4.053 4.170 -0.001 0.000 0.245 391 I C 2.844 178.987 176.117 0.044 0.000 1.100 391 I CA 1.845 63.095 61.300 -0.082 0.000 1.374 391 I CB -1.401 36.500 38.000 -0.165 0.000 1.057 391 I HN 0.434 nan 8.210 nan 0.000 0.413 392 E N 1.685 121.880 120.200 -0.008 0.000 2.015 392 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 392 E C 2.188 178.771 176.600 -0.028 0.000 0.991 392 E CA 2.629 59.021 56.400 -0.014 0.000 0.802 392 E CB -0.385 29.303 29.700 -0.021 0.000 0.759 392 E HN 0.518 nan 8.360 nan 0.000 0.447 393 T N -3.182 111.381 114.554 0.016 0.000 2.962 393 T HA 0.063 4.412 4.350 -0.001 0.000 0.270 393 T C 1.735 176.471 174.700 0.059 0.000 1.088 393 T CA 1.300 63.422 62.100 0.035 0.000 1.127 393 T CB -0.496 68.433 68.868 0.102 0.000 0.883 393 T HN 0.468 nan 8.240 nan 0.000 0.493 394 G N 1.144 110.019 108.800 0.126 0.000 2.205 394 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.261 394 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.261 394 G C -0.009 175.112 174.900 0.368 0.000 0.980 394 G CA 0.216 45.478 45.100 0.271 0.000 0.632 394 G HN 0.671 nan 8.290 nan 0.000 0.533 395 D N 1.177 121.718 120.400 0.234 0.000 2.522 395 D HA 0.407 5.047 4.640 -0.001 0.000 0.218 395 D C 1.131 177.526 176.300 0.159 0.000 1.149 395 D CA -0.450 53.669 54.000 0.199 0.000 0.981 395 D CB -0.077 40.816 40.800 0.154 0.000 1.041 395 D HN 0.453 nan 8.370 nan 0.000 0.518 396 R N 0.549 121.163 120.500 0.190 0.000 2.679 396 R HA 0.331 4.670 4.340 -0.001 0.000 0.268 396 R C -0.196 176.217 176.300 0.188 0.000 1.044 396 R CA -0.117 56.088 56.100 0.175 0.000 1.105 396 R CB 1.077 31.477 30.300 0.167 0.000 0.989 396 R HN 0.098 nan 8.270 nan 0.000 0.447 397 V N 3.215 123.287 119.914 0.262 0.000 2.823 397 V HA 0.505 4.624 4.120 -0.001 0.000 0.312 397 V C -1.288 175.150 176.094 0.574 0.000 1.072 397 V CA -0.621 61.874 62.300 0.325 0.000 0.937 397 V CB 2.009 33.957 31.823 0.207 0.000 1.013 397 V HN 0.703 nan 8.190 nan 0.000 0.430 398 W N 6.120 127.556 121.300 0.227 0.000 3.129 398 W HA 0.523 5.183 4.660 -0.001 0.000 0.333 398 W C -0.617 175.724 176.519 -0.296 0.000 1.141 398 W CA -0.800 56.582 57.345 0.063 0.000 1.224 398 W CB 2.111 31.536 29.460 -0.058 0.000 1.393 398 W HN 0.489 nan 8.180 nan 0.000 0.499 399 R N 4.295 124.125 120.500 -1.118 0.000 2.490 399 R HA 0.433 4.772 4.340 -0.001 0.000 0.278 399 R C -0.198 175.631 176.300 -0.784 0.000 1.069 399 R CA 0.005 55.378 56.100 -1.211 0.000 1.080 399 R CB 0.963 30.165 30.300 -1.830 0.000 1.030 399 R HN 0.334 nan 8.270 nan 0.000 0.491 400 M N 3.414 122.488 119.600 -0.876 0.000 2.572 400 M HA 0.403 4.883 4.480 -0.001 0.000 0.299 400 M C -2.391 173.443 176.300 -0.778 0.000 1.205 400 M CA -3.063 51.693 55.300 -0.906 0.000 0.876 400 M CB 1.641 33.324 32.600 -1.528 0.000 1.728 400 M HN 0.357 nan 8.290 nan 0.000 0.458 401 P HA 0.250 nan 4.420 nan 0.000 0.276 401 P C -0.349 176.854 177.300 -0.161 0.000 1.235 401 P CA -0.351 62.382 63.100 -0.613 0.000 0.772 401 P CB 0.456 31.552 31.700 -1.006 0.000 0.871 402 L N 4.570 125.769 121.223 -0.040 0.000 3.047 402 L HA 0.392 4.731 4.340 -0.001 0.000 0.242 402 L C -0.944 176.181 176.870 0.426 0.000 1.315 402 L CA -0.573 54.427 54.840 0.267 0.000 1.042 402 L CB -0.923 41.293 42.059 0.262 0.000 1.420 402 L HN 0.059 nan 8.230 nan 0.000 0.517 403 F N 0.193 120.368 119.950 0.375 0.000 2.429 403 F HA 0.209 4.735 4.527 -0.001 0.000 0.348 403 F C 1.870 177.810 175.800 0.233 0.000 1.109 403 F CA -0.439 57.711 58.000 0.251 0.000 1.232 403 F CB 0.521 39.603 39.000 0.136 0.000 1.157 403 F HN 0.313 nan 8.300 nan 0.000 0.564 404 E N 2.267 122.648 120.200 0.302 0.000 2.209 404 E HA -0.306 4.044 4.350 -0.001 0.000 0.196 404 E C 1.917 178.617 176.600 0.166 0.000 0.993 404 E CA 1.646 58.161 56.400 0.192 0.000 0.819 404 E CB -0.611 29.149 29.700 0.101 0.000 0.745 404 E HN 0.899 nan 8.360 nan 0.000 0.477 405 H N -1.066 117.992 119.070 -0.020 0.000 2.390 405 H HA -0.199 4.357 4.556 -0.001 0.000 0.298 405 H C 1.411 176.670 175.328 -0.115 0.000 1.106 405 H CA 2.324 58.289 56.048 -0.138 0.000 1.297 405 H CB -0.225 29.367 29.762 -0.283 0.000 1.375 405 H HN 0.180 nan 8.280 nan 0.000 0.509 406 Y N -0.036 120.474 120.300 0.350 0.000 2.337 406 Y HA -0.040 4.510 4.550 -0.001 0.000 0.293 406 Y C 2.892 178.872 175.900 0.134 0.000 1.123 406 Y CA 1.177 59.420 58.100 0.238 0.000 1.201 406 Y CB -0.614 38.015 38.460 0.282 0.000 1.011 406 Y HN 0.227 nan 8.280 nan 0.000 0.545 407 T N 0.250 114.960 114.554 0.261 0.000 2.720 407 T HA -0.249 4.100 4.350 -0.001 0.000 0.268 407 T C 2.043 176.798 174.700 0.091 0.000 1.037 407 T CA 1.637 63.832 62.100 0.157 0.000 1.144 407 T CB -0.236 68.705 68.868 0.123 0.000 0.864 407 T HN 0.268 nan 8.240 nan 0.000 0.444 408 R N 0.884 121.422 120.500 0.062 0.000 2.096 408 R HA -0.141 4.199 4.340 -0.001 0.000 0.240 408 R C 2.385 178.697 176.300 0.021 0.000 1.139 408 R CA 1.686 57.796 56.100 0.018 0.000 0.952 408 R CB -0.204 30.082 30.300 -0.023 0.000 0.854 408 R HN 0.515 nan 8.270 nan 0.000 0.436 409 Q N -0.717 119.104 119.800 0.036 0.000 2.437 409 Q HA -0.061 4.278 4.340 -0.001 0.000 0.210 409 Q C 1.659 177.682 176.000 0.038 0.000 0.972 409 Q CA 0.750 56.576 55.803 0.039 0.000 0.903 409 Q CB 0.451 29.241 28.738 0.087 0.000 0.967 409 Q HN 0.218 nan 8.270 nan 0.000 0.486 410 V N -0.267 119.693 119.914 0.076 0.000 3.523 410 V HA -0.034 4.086 4.120 -0.001 0.000 0.255 410 V C 1.548 177.685 176.094 0.071 0.000 1.226 410 V CA 0.317 62.681 62.300 0.106 0.000 1.092 410 V CB 0.404 32.331 31.823 0.173 0.000 0.817 410 V HN 0.289 nan 8.190 nan 0.000 0.458 411 I N 1.217 121.809 120.570 0.036 0.000 2.584 411 I HA 0.013 4.182 4.170 -0.001 0.000 0.255 411 I C 0.688 176.806 176.117 0.002 0.000 1.145 411 I CA 0.768 62.071 61.300 0.005 0.000 1.462 411 I CB -0.663 37.332 38.000 -0.008 0.000 1.102 411 I HN 0.564 nan 8.210 nan 0.000 0.433 412 D N 0.895 121.297 120.400 0.003 0.000 2.358 412 D HA 0.153 4.793 4.640 -0.001 0.000 0.258 412 D C -0.174 176.125 176.300 -0.001 0.000 1.223 412 D CA -0.230 53.769 54.000 -0.003 0.000 0.886 412 D CB 0.687 41.483 40.800 -0.005 0.000 1.120 412 D HN 0.064 nan 8.370 nan 0.000 0.482 413 C N 3.490 122.790 119.300 -0.000 0.000 2.871 413 C HA 0.291 4.750 4.460 -0.001 0.000 0.378 413 C C 0.895 175.886 174.990 0.002 0.000 1.052 413 C CA -0.480 58.541 59.018 0.006 0.000 1.250 413 C CB 0.978 28.730 27.740 0.019 0.000 1.689 413 C HN 0.842 nan 8.230 nan 0.000 0.506 414 Q N 2.374 122.175 119.800 0.002 0.000 1.891 414 Q HA -0.058 4.281 4.340 -0.001 0.000 0.214 414 Q C 1.387 177.389 176.000 0.003 0.000 0.995 414 Q CA 2.420 58.224 55.803 0.000 0.000 0.866 414 Q CB -0.160 28.577 28.738 -0.001 0.000 0.931 414 Q HN 0.804 nan 8.270 nan 0.000 0.422 415 L N -0.619 120.608 121.223 0.007 0.000 2.179 415 L HA 0.278 4.618 4.340 -0.001 0.000 0.208 415 L C 0.777 177.653 176.870 0.009 0.000 1.096 415 L CA 1.154 55.998 54.840 0.008 0.000 0.779 415 L CB -1.176 40.889 42.059 0.010 0.000 0.922 415 L HN 0.277 nan 8.230 nan 0.000 0.443 416 A N -1.686 121.143 122.820 0.015 0.000 2.414 416 A HA 0.452 4.772 4.320 -0.001 0.000 0.278 416 A C 0.623 178.212 177.584 0.008 0.000 1.228 416 A CA -0.413 51.634 52.037 0.018 0.000 0.857 416 A CB 0.459 19.482 19.000 0.039 0.000 1.389 416 A HN 0.063 nan 8.150 nan 0.000 0.452 417 D N -0.873 119.528 120.400 0.002 0.000 2.117 417 D HA 0.045 4.685 4.640 -0.001 0.000 0.198 417 D C 0.423 176.704 176.300 -0.030 0.000 0.982 417 D CA 1.919 55.902 54.000 -0.028 0.000 0.828 417 D CB -0.026 40.741 40.800 -0.054 0.000 0.967 417 D HN 0.295 nan 8.370 nan 0.000 0.464 418 V N 0.411 120.331 119.914 0.010 0.000 2.789 418 V HA 0.316 4.435 4.120 -0.001 0.000 0.311 418 V C -0.152 176.034 176.094 0.154 0.000 1.073 418 V CA -1.207 61.117 62.300 0.039 0.000 0.921 418 V CB 2.533 34.317 31.823 -0.065 0.000 1.009 418 V HN -0.047 nan 8.190 nan 0.000 0.426 419 N N 2.942 121.748 118.700 0.177 0.000 2.456 419 N HA 0.153 4.892 4.740 -0.001 0.000 0.288 419 N C 0.643 176.329 175.510 0.293 0.000 1.059 419 N CA -0.355 52.803 53.050 0.180 0.000 0.946 419 N CB 1.695 40.234 38.487 0.087 0.000 1.150 419 N HN 0.915 nan 8.380 nan 0.000 0.479 420 N N 3.667 122.478 118.700 0.185 0.000 2.571 420 N HA -0.033 4.707 4.740 -0.001 0.000 0.189 420 N C -0.003 175.420 175.510 -0.146 0.000 1.154 420 N CA 0.456 53.457 53.050 -0.081 0.000 0.907 420 N CB -0.320 38.055 38.487 -0.186 0.000 0.977 420 N HN 0.595 nan 8.380 nan 0.000 0.449 421 I N -5.179 115.374 120.570 -0.027 0.000 2.841 421 I HA 0.592 4.762 4.170 -0.001 0.000 0.298 421 I C 0.112 176.220 176.117 -0.015 0.000 1.304 421 I CA -1.565 59.712 61.300 -0.039 0.000 1.019 421 I CB 1.695 39.662 38.000 -0.055 0.000 1.282 421 I HN -0.156 nan 8.210 nan 0.000 0.432 422 G N 2.530 111.321 108.800 -0.016 0.000 2.539 422 G HA2 0.340 4.300 3.960 -0.001 0.000 0.258 422 G HA3 0.340 4.300 3.960 -0.001 0.000 0.258 422 G C 0.220 175.024 174.900 -0.160 0.000 1.202 422 G CA -0.562 44.509 45.100 -0.047 0.000 0.851 422 G HN 0.787 nan 8.290 nan 0.000 0.556 423 K N -0.433 119.746 120.400 -0.369 0.000 2.283 423 K HA 0.052 4.371 4.320 -0.001 0.000 0.202 423 K C -0.179 175.993 176.600 -0.713 0.000 1.048 423 K CA 1.048 56.955 56.287 -0.633 0.000 0.948 423 K CB -0.113 31.795 32.500 -0.986 0.000 0.742 423 K HN 0.539 nan 8.250 nan 0.000 0.458 424 Y N -0.731 119.591 120.300 0.037 0.000 2.630 424 Y HA 0.312 4.861 4.550 -0.001 0.000 0.337 424 Y C 1.072 176.999 175.900 0.044 0.000 1.051 424 Y CA -1.654 56.470 58.100 0.040 0.000 1.121 424 Y CB 0.965 39.455 38.460 0.049 0.000 1.299 424 Y HN -0.282 nan 8.280 nan 0.000 0.498 425 R N -0.751 119.888 120.500 0.232 0.000 2.090 425 R HA 0.052 4.392 4.340 -0.001 0.000 0.228 425 R C 0.255 176.640 176.300 0.143 0.000 1.110 425 R CA 0.519 56.701 56.100 0.137 0.000 0.973 425 R CB -1.329 29.032 30.300 0.103 0.000 0.869 425 R HN 0.394 nan 8.270 nan 0.000 0.440 426 S N 1.321 117.131 115.700 0.183 0.000 2.561 426 S HA 0.257 4.726 4.470 -0.001 0.000 0.294 426 S C 0.766 175.489 174.600 0.205 0.000 1.294 426 S CA 0.306 58.610 58.200 0.174 0.000 1.055 426 S CB 0.312 63.614 63.200 0.172 0.000 0.819 426 S HN 0.681 nan 8.310 nan 0.000 0.503 427 A N 2.016 124.943 122.820 0.178 0.000 2.415 427 A HA -0.169 4.150 4.320 -0.001 0.000 0.292 427 A C 1.593 179.219 177.584 0.069 0.000 1.452 427 A CA 0.817 52.936 52.037 0.138 0.000 0.750 427 A CB -1.903 17.270 19.000 0.290 0.000 1.099 427 A HN 1.337 nan 8.150 nan 0.000 0.391 428 G N -0.472 108.365 108.800 0.061 0.000 2.432 428 G HA2 0.085 4.045 3.960 -0.001 0.000 0.219 428 G HA3 0.085 4.045 3.960 -0.001 0.000 0.219 428 G C 1.504 176.402 174.900 -0.003 0.000 1.135 428 G CA 1.467 46.589 45.100 0.036 0.000 0.767 428 G HN 1.827 nan 8.290 nan 0.000 0.550 429 A N -0.628 122.197 122.820 0.008 0.000 2.081 429 A HA 0.173 4.493 4.320 -0.001 0.000 0.214 429 A C 2.363 179.843 177.584 -0.172 0.000 1.158 429 A CA 1.277 53.317 52.037 0.006 0.000 0.724 429 A CB -0.387 18.732 19.000 0.198 0.000 0.826 429 A HN 0.397 nan 8.150 nan 0.000 0.463 430 C N -1.615 117.579 119.300 -0.176 0.000 2.467 430 C HA 0.003 4.462 4.460 -0.001 0.000 0.279 430 C C 2.843 177.634 174.990 -0.330 0.000 1.347 430 C CA 1.267 60.025 59.018 -0.434 0.000 1.748 430 C CB -1.238 25.799 27.740 -1.172 0.000 1.977 430 C HN 0.570 nan 8.230 nan 0.000 0.501 431 T N 1.222 115.707 114.554 -0.115 0.000 2.821 431 T HA -0.062 4.288 4.350 -0.001 0.000 0.267 431 T C 2.077 176.800 174.700 0.038 0.000 1.046 431 T CA 1.648 63.790 62.100 0.070 0.000 1.139 431 T CB -0.247 68.694 68.868 0.121 0.000 0.871 431 T HN 0.616 nan 8.240 nan 0.000 0.454 432 A N 1.036 123.817 122.820 -0.064 0.000 1.929 432 A HA 0.281 4.601 4.320 -0.001 0.000 0.216 432 A C 2.582 180.082 177.584 -0.140 0.000 1.176 432 A CA 1.621 53.604 52.037 -0.090 0.000 0.628 432 A CB -0.923 17.993 19.000 -0.140 0.000 0.816 432 A HN 0.490 nan 8.150 nan 0.000 0.444 433 A N 0.050 122.658 122.820 -0.354 0.000 1.902 433 A HA 0.150 4.470 4.320 -0.001 0.000 0.217 433 A C 2.471 180.058 177.584 0.006 0.000 1.181 433 A CA 2.010 53.808 52.037 -0.399 0.000 0.623 433 A CB -0.956 17.449 19.000 -0.991 0.000 0.818 433 A HN 1.033 nan 8.150 nan 0.000 0.443 434 A N -1.315 121.542 122.820 0.062 0.000 1.972 434 A HA -0.039 4.281 4.320 -0.001 0.000 0.219 434 A C 2.007 179.701 177.584 0.184 0.000 1.169 434 A CA 1.535 53.679 52.037 0.179 0.000 0.635 434 A CB -0.687 18.448 19.000 0.226 0.000 0.810 434 A HN 0.685 nan 8.150 nan 0.000 0.446 435 F N 0.715 120.699 119.950 0.056 0.000 2.134 435 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 435 F C 1.833 177.746 175.800 0.187 0.000 1.097 435 F CA 1.735 59.798 58.000 0.105 0.000 1.264 435 F CB -0.238 38.801 39.000 0.065 0.000 1.001 435 F HN 0.147 nan 8.300 nan 0.000 0.479 436 L N 0.036 121.473 121.223 0.357 0.000 2.093 436 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 436 L C 2.362 179.218 176.870 -0.024 0.000 1.085 436 L CA 1.408 56.399 54.840 0.253 0.000 0.755 436 L CB -0.780 41.413 42.059 0.223 0.000 0.904 436 L HN 0.045 nan 8.230 nan 0.000 0.435 437 K N 0.524 120.903 120.400 -0.035 0.000 2.280 437 K HA -0.169 4.151 4.320 -0.001 0.000 0.202 437 K C 1.856 178.313 176.600 -0.238 0.000 1.047 437 K CA 1.131 57.294 56.287 -0.206 0.000 0.942 437 K CB -0.085 32.517 32.500 0.169 0.000 0.739 437 K HN 0.133 nan 8.250 nan 0.000 0.457 438 E N -0.740 119.302 120.200 -0.264 0.000 2.409 438 E HA -0.119 4.231 4.350 -0.001 0.000 0.198 438 E C 0.324 176.381 176.600 -0.906 0.000 1.024 438 E CA 0.752 56.819 56.400 -0.555 0.000 0.861 438 E CB -0.017 29.246 29.700 -0.729 0.000 0.788 438 E HN 0.367 nan 8.360 nan 0.000 0.521 439 F N -0.808 118.971 119.950 -0.286 0.000 2.724 439 F HA 0.168 4.695 4.527 -0.001 0.000 0.310 439 F C 0.131 175.769 175.800 -0.269 0.000 1.107 439 F CA -0.200 57.653 58.000 -0.245 0.000 1.218 439 F CB 1.104 39.993 39.000 -0.185 0.000 1.042 439 F HN -0.333 nan 8.300 nan 0.000 0.540 440 V N 0.636 120.388 119.914 -0.271 0.000 2.482 440 V HA 0.202 4.322 4.120 -0.001 0.000 0.295 440 V C 0.695 176.700 176.094 -0.149 0.000 1.026 440 V CA -0.279 61.879 62.300 -0.237 0.000 0.856 440 V CB 1.622 32.980 31.823 -0.775 0.000 1.001 440 V HN 0.326 nan 8.190 nan 0.000 0.424 441 T N -0.307 114.204 114.554 -0.073 0.000 3.037 441 T HA 0.089 4.438 4.350 -0.001 0.000 0.251 441 T C 0.827 175.613 174.700 0.144 0.000 1.079 441 T CA 0.156 62.250 62.100 -0.010 0.000 1.067 441 T CB -0.102 68.701 68.868 -0.108 0.000 0.948 441 T HN 0.605 nan 8.240 nan 0.000 0.496 442 H N 3.936 123.173 119.070 0.278 0.000 3.064 442 H HA 0.052 4.607 4.556 -0.001 0.000 0.329 442 H C -1.429 174.013 175.328 0.191 0.000 1.020 442 H CA -0.777 55.391 56.048 0.200 0.000 1.402 442 H CB 1.353 31.187 29.762 0.120 0.000 1.379 442 H HN 0.105 nan 8.280 nan 0.000 0.594 443 P HA 0.006 nan 4.420 nan 0.000 0.236 443 P C -0.433 177.052 177.300 0.308 0.000 1.177 443 P CA 0.796 63.966 63.100 0.116 0.000 0.773 443 P CB 0.615 32.304 31.700 -0.017 0.000 0.878 444 K N 0.165 120.922 120.400 0.595 0.000 2.646 444 K HA 0.215 4.535 4.320 -0.001 0.000 0.210 444 K C -1.505 175.358 176.600 0.439 0.000 1.020 444 K CA -0.292 56.290 56.287 0.492 0.000 1.040 444 K CB 0.788 33.563 32.500 0.460 0.000 1.253 444 K HN 0.034 nan 8.250 nan 0.000 0.532 445 W N 2.154 123.575 121.300 0.202 0.000 2.839 445 W HA 0.602 5.261 4.660 -0.001 0.000 0.334 445 W C -1.710 174.872 176.519 0.104 0.000 1.064 445 W CA -0.545 56.862 57.345 0.103 0.000 1.236 445 W CB 1.561 31.112 29.460 0.151 0.000 1.405 445 W HN 0.467 nan 8.180 nan 0.000 0.478 446 A N 4.268 126.751 122.820 -0.562 0.000 2.371 446 A HA 0.586 4.905 4.320 -0.001 0.000 0.311 446 A C -2.062 175.125 177.584 -0.662 0.000 1.068 446 A CA -0.624 51.048 52.037 -0.609 0.000 0.744 446 A CB 1.123 19.930 19.000 -0.321 0.000 1.239 446 A HN 0.803 nan 8.150 nan 0.000 0.435 447 H N 2.461 121.144 119.070 -0.645 0.000 2.511 447 H HA 0.651 5.207 4.556 -0.001 0.000 0.328 447 H C -1.561 173.739 175.328 -0.046 0.000 1.044 447 H CA -0.859 55.032 56.048 -0.262 0.000 1.212 447 H CB 0.700 30.343 29.762 -0.199 0.000 1.428 447 H HN 0.474 nan 8.280 nan 0.000 0.483 448 L N 4.642 125.643 121.223 -0.369 0.000 2.298 448 L HA 0.279 4.618 4.340 -0.001 0.000 0.284 448 L C -0.272 176.372 176.870 -0.378 0.000 1.013 448 L CA -0.875 53.781 54.840 -0.307 0.000 0.824 448 L CB 1.363 43.349 42.059 -0.122 0.000 1.221 448 L HN 0.625 nan 8.230 nan 0.000 0.418 449 D N 3.599 123.782 120.400 -0.362 0.000 2.380 449 D HA 0.241 4.881 4.640 -0.001 0.000 0.230 449 D C 0.473 176.759 176.300 -0.023 0.000 1.154 449 D CA -0.079 53.849 54.000 -0.120 0.000 0.859 449 D CB 1.380 42.217 40.800 0.061 0.000 1.045 449 D HN 0.437 nan 8.370 nan 0.000 0.495 450 I N 2.963 123.528 120.570 -0.008 0.000 3.812 450 I HA 0.049 4.218 4.170 -0.001 0.000 0.320 450 I C 2.062 178.181 176.117 0.003 0.000 1.276 450 I CA 0.101 61.401 61.300 0.001 0.000 1.164 450 I CB 0.286 38.286 38.000 0.001 0.000 1.009 450 I HN 0.478 nan 8.210 nan 0.000 0.431 451 A N 0.493 123.317 122.820 0.007 0.000 1.933 451 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 451 A C 2.370 179.952 177.584 -0.004 0.000 1.175 451 A CA 1.752 53.789 52.037 -0.001 0.000 0.628 451 A CB -1.137 17.864 19.000 0.002 0.000 0.814 451 A HN 0.436 nan 8.150 nan 0.000 0.444 452 G N -0.697 108.102 108.800 -0.001 0.000 2.534 452 G HA2 0.074 4.034 3.960 -0.001 0.000 0.217 452 G HA3 0.074 4.034 3.960 -0.001 0.000 0.217 452 G C 1.127 176.022 174.900 -0.008 0.000 1.128 452 G CA 1.323 46.417 45.100 -0.008 0.000 0.784 452 G HN 1.127 nan 8.290 nan 0.000 0.542 453 V N -2.632 117.280 119.914 -0.003 0.000 3.319 453 V HA 0.413 4.532 4.120 -0.001 0.000 0.317 453 V C 1.900 177.992 176.094 -0.003 0.000 1.411 453 V CA 0.331 62.631 62.300 -0.001 0.000 1.112 453 V CB 0.215 32.045 31.823 0.011 0.000 1.031 453 V HN 0.242 nan 8.190 nan 0.000 0.448 454 M N 1.027 120.624 119.600 -0.006 0.000 2.159 454 M HA 0.005 4.485 4.480 -0.001 0.000 0.263 454 M C 0.884 177.181 176.300 -0.006 0.000 1.063 454 M CA 1.668 56.963 55.300 -0.008 0.000 1.110 454 M CB 0.199 32.792 32.600 -0.011 0.000 1.374 454 M HN 0.515 nan 8.290 nan 0.000 0.411 455 T N 0.200 114.751 114.554 -0.005 0.000 2.908 455 T HA 0.387 4.737 4.350 -0.001 0.000 0.290 455 T C -1.206 173.490 174.700 -0.007 0.000 1.034 455 T CA -0.705 61.394 62.100 -0.002 0.000 1.010 455 T CB 1.618 70.487 68.868 0.001 0.000 1.068 455 T HN 0.211 nan 8.240 nan 0.000 0.481 456 N N 0.720 119.416 118.700 -0.006 0.000 2.272 456 N HA 0.523 5.262 4.740 -0.001 0.000 0.305 456 N C 0.183 175.689 175.510 -0.006 0.000 1.103 456 N CA -0.617 52.423 53.050 -0.017 0.000 0.791 456 N CB 1.687 40.154 38.487 -0.032 0.000 1.356 456 N HN 0.468 nan 8.380 nan 0.000 0.486 457 K N -0.047 120.345 120.400 -0.012 0.000 2.469 457 K HA 0.188 4.508 4.320 -0.001 0.000 0.228 457 K C -0.158 176.436 176.600 -0.011 0.000 1.266 457 K CA 0.360 56.644 56.287 -0.005 0.000 0.775 457 K CB 0.459 32.956 32.500 -0.004 0.000 1.582 457 K HN 0.730 nan 8.250 nan 0.000 0.415 458 D N -0.255 120.136 120.400 -0.016 0.000 2.490 458 D HA 0.017 4.656 4.640 -0.001 0.000 0.246 458 D C 0.794 177.079 176.300 -0.026 0.000 1.196 458 D CA 0.196 54.186 54.000 -0.017 0.000 0.812 458 D CB 0.470 41.266 40.800 -0.007 0.000 1.191 458 D HN 0.005 nan 8.370 nan 0.000 0.531 459 E N 0.980 121.163 120.200 -0.029 0.000 2.072 459 E HA 0.015 4.364 4.350 -0.001 0.000 0.191 459 E C 0.716 177.294 176.600 -0.037 0.000 0.985 459 E CA 0.697 57.085 56.400 -0.020 0.000 0.801 459 E CB 0.225 29.916 29.700 -0.015 0.000 0.750 459 E HN 0.063 nan 8.360 nan 0.000 0.452 460 V N 3.097 122.945 119.914 -0.110 0.000 2.353 460 V HA 0.068 4.188 4.120 -0.001 0.000 0.264 460 V C -1.742 174.163 176.094 -0.315 0.000 1.049 460 V CA -1.136 61.005 62.300 -0.265 0.000 0.896 460 V CB 1.162 32.756 31.823 -0.382 0.000 1.025 460 V HN 0.064 nan 8.190 nan 0.000 0.475 461 P HA -0.172 nan 4.420 nan 0.000 0.216 461 P C 0.979 178.255 177.300 -0.040 0.000 1.153 461 P CA 1.469 64.528 63.100 -0.067 0.000 0.858 461 P CB -0.030 31.696 31.700 0.043 0.000 0.789 462 Y N -2.859 117.436 120.300 -0.007 0.000 2.465 462 Y HA 0.454 5.004 4.550 -0.001 0.000 0.311 462 Y C 0.145 176.052 175.900 0.012 0.000 1.204 462 Y CA -0.800 57.295 58.100 -0.008 0.000 1.272 462 Y CB -0.760 37.681 38.460 -0.032 0.000 1.083 462 Y HN -0.191 nan 8.280 nan 0.000 0.508 463 L N 1.878 123.031 121.223 -0.117 0.000 2.385 463 L HA 0.492 4.832 4.340 -0.001 0.000 0.273 463 L C -0.124 176.744 176.870 -0.005 0.000 0.990 463 L CA -1.607 53.208 54.840 -0.042 0.000 0.821 463 L CB 1.803 43.786 42.059 -0.127 0.000 1.279 463 L HN 0.195 nan 8.230 nan 0.000 0.412 464 R N 1.875 122.406 120.500 0.052 0.000 2.652 464 R HA 0.352 4.691 4.340 -0.001 0.000 0.272 464 R C -0.221 176.103 176.300 0.041 0.000 1.162 464 R CA -0.785 55.341 56.100 0.044 0.000 1.199 464 R CB 0.472 30.808 30.300 0.060 0.000 1.166 464 R HN 0.399 nan 8.270 nan 0.000 0.597 465 K N 0.872 121.293 120.400 0.035 0.000 2.412 465 K HA 0.234 4.553 4.320 -0.001 0.000 0.281 465 K C 0.272 176.904 176.600 0.052 0.000 1.027 465 K CA 0.511 56.818 56.287 0.032 0.000 0.989 465 K CB 0.753 33.269 32.500 0.025 0.000 0.935 465 K HN 0.819 nan 8.250 nan 0.000 0.475 466 G N 1.729 110.557 108.800 0.046 0.000 2.302 466 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.276 466 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.276 466 G C -1.066 173.860 174.900 0.045 0.000 1.316 466 G CA -1.116 44.019 45.100 0.059 0.000 0.988 466 G HN 0.300 nan 8.290 nan 0.000 0.479 467 M N 1.238 120.865 119.600 0.044 0.000 2.246 467 M HA 0.430 4.910 4.480 -0.001 0.000 0.350 467 M C 1.589 177.896 176.300 0.011 0.000 1.406 467 M CA 0.443 55.753 55.300 0.017 0.000 1.089 467 M CB 0.221 32.822 32.600 0.000 0.000 1.782 467 M HN 1.208 nan 8.290 nan 0.000 0.457 468 A N 2.930 125.747 122.820 -0.005 0.000 2.123 468 A HA 0.352 4.671 4.320 -0.001 0.000 0.214 468 A C 1.532 179.098 177.584 -0.030 0.000 1.152 468 A CA 0.798 52.826 52.037 -0.016 0.000 0.728 468 A CB -0.516 18.473 19.000 -0.019 0.000 0.814 468 A HN 1.141 nan 8.150 nan 0.000 0.464 469 G N -0.257 108.522 108.800 -0.034 0.000 2.225 469 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.267 469 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.267 469 G C 0.224 175.112 174.900 -0.020 0.000 1.024 469 G CA 0.432 45.507 45.100 -0.042 0.000 0.784 469 G HN 0.624 nan 8.290 nan 0.000 0.507 470 R N 0.188 120.686 120.500 -0.004 0.000 2.441 470 R HA 0.382 4.722 4.340 -0.001 0.000 0.284 470 R C -2.171 174.140 176.300 0.018 0.000 1.070 470 R CA -1.329 54.780 56.100 0.015 0.000 1.047 470 R CB 1.392 31.704 30.300 0.020 0.000 1.016 470 R HN 0.144 nan 8.270 nan 0.000 0.477 471 P HA 0.162 nan 4.420 nan 0.000 0.206 471 P C 0.058 177.380 177.300 0.037 0.000 1.867 471 P CA -0.298 62.828 63.100 0.044 0.000 0.991 471 P CB 0.566 32.299 31.700 0.055 0.000 1.822 472 T N 0.258 114.819 114.554 0.011 0.000 2.737 472 T HA -0.168 4.182 4.350 -0.001 0.000 0.269 472 T C 1.821 176.497 174.700 -0.039 0.000 1.040 472 T CA 1.421 63.508 62.100 -0.023 0.000 1.142 472 T CB -0.195 68.639 68.868 -0.057 0.000 0.861 472 T HN 0.339 nan 8.240 nan 0.000 0.456 473 R N 0.451 120.952 120.500 0.002 0.000 2.090 473 R HA -0.014 4.325 4.340 -0.001 0.000 0.228 473 R C 2.740 179.095 176.300 0.093 0.000 1.110 473 R CA 1.408 57.532 56.100 0.039 0.000 0.973 473 R CB -0.610 29.785 30.300 0.160 0.000 0.869 473 R HN 0.313 nan 8.270 nan 0.000 0.440 474 T N 1.503 116.117 114.554 0.100 0.000 2.833 474 T HA -0.095 4.255 4.350 -0.001 0.000 0.269 474 T C 1.658 176.451 174.700 0.155 0.000 1.054 474 T CA 0.843 63.013 62.100 0.116 0.000 1.135 474 T CB -0.069 68.847 68.868 0.081 0.000 0.869 474 T HN -0.001 nan 8.240 nan 0.000 0.466 475 L N 0.542 121.843 121.223 0.130 0.000 2.044 475 L HA 0.156 4.496 4.340 -0.001 0.000 0.205 475 L C 2.204 179.186 176.870 0.186 0.000 1.075 475 L CA 1.329 56.294 54.840 0.207 0.000 0.747 475 L CB -0.592 41.553 42.059 0.143 0.000 0.903 475 L HN 0.264 nan 8.230 nan 0.000 0.435 476 I N -0.826 119.731 120.570 -0.023 0.000 2.163 476 I HA -0.293 3.877 4.170 -0.001 0.000 0.243 476 I C 2.466 178.586 176.117 0.005 0.000 1.085 476 I CA 1.288 62.478 61.300 -0.182 0.000 1.347 476 I CB -0.275 37.334 38.000 -0.651 0.000 1.044 476 I HN 0.273 nan 8.210 nan 0.000 0.408 477 E N 1.176 121.473 120.200 0.162 0.000 2.110 477 E HA -0.277 4.073 4.350 -0.001 0.000 0.193 477 E C 2.005 178.775 176.600 0.284 0.000 0.988 477 E CA 1.442 58.041 56.400 0.332 0.000 0.804 477 E CB -0.428 29.456 29.700 0.307 0.000 0.745 477 E HN 0.439 nan 8.360 nan 0.000 0.458 478 F N 0.576 120.614 119.950 0.147 0.000 2.126 478 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 478 F C 1.730 177.649 175.800 0.198 0.000 1.096 478 F CA 1.521 59.600 58.000 0.133 0.000 1.255 478 F CB -0.308 38.751 39.000 0.098 0.000 0.997 478 F HN 0.059 nan 8.300 nan 0.000 0.479 479 L N -1.158 119.973 121.223 -0.154 0.000 2.109 479 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 479 L C 2.422 179.261 176.870 -0.052 0.000 1.086 479 L CA 1.165 55.908 54.840 -0.163 0.000 0.760 479 L CB -0.903 41.161 42.059 0.008 0.000 0.910 479 L HN 0.237 nan 8.230 nan 0.000 0.437 480 F N 1.271 121.211 119.950 -0.016 0.000 2.046 480 F HA -0.251 4.276 4.527 -0.001 0.000 0.297 480 F C 2.757 178.564 175.800 0.012 0.000 1.123 480 F CA 1.684 59.704 58.000 0.034 0.000 1.199 480 F CB -0.251 38.812 39.000 0.105 0.000 0.972 480 F HN -0.142 nan 8.300 nan 0.000 0.474 481 R N -0.955 119.443 120.500 -0.170 0.000 2.081 481 R HA -0.203 4.136 4.340 -0.001 0.000 0.235 481 R C 2.310 178.471 176.300 -0.232 0.000 1.131 481 R CA 1.807 57.793 56.100 -0.190 0.000 0.960 481 R CB -1.038 29.263 30.300 0.001 0.000 0.856 481 R HN 0.414 nan 8.270 nan 0.000 0.436 482 F N 1.741 121.480 119.950 -0.352 0.000 2.171 482 F HA -0.233 4.293 4.527 -0.001 0.000 0.300 482 F C 2.546 178.228 175.800 -0.196 0.000 1.090 482 F CA 1.766 59.595 58.000 -0.285 0.000 1.293 482 F CB -0.211 38.501 39.000 -0.480 0.000 1.013 482 F HN -0.002 nan 8.300 nan 0.000 0.486 483 S N -0.636 114.985 115.700 -0.131 0.000 2.453 483 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 483 S C 1.085 175.532 174.600 -0.255 0.000 1.005 483 S CA 0.086 58.200 58.200 -0.143 0.000 0.949 483 S CB -0.370 62.772 63.200 -0.096 0.000 0.774 483 S HN 0.329 nan 8.310 nan 0.000 0.510 484 Q N 0.000 119.585 119.800 -0.359 0.000 2.315 484 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 484 Q CA 0.000 55.628 55.803 -0.291 0.000 1.022 484 Q CB 0.000 28.519 28.738 -0.365 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481