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 1z6r_1_B DATA FIRST_RESID 12 DATA SEQUENCE QIKQTNAGAV YRLIDQLGPV SRIDLSRLAQ LAPASITKIV HEXLEAHLVQ DATA SEQUENCE ELXXXXXXXX XXXXXGLVVE TEAWHYLSLR ISRGEIFLAL RDLSSKLVVE DATA SEQUENCE ESQELALKDD LPLLDRIISH IDQFFIRHQK KLERLTSIAI TLPGIIDTEN DATA SEQUENCE GIVHRXPFYE DVKEXPLGEA LEQHTGVPVY IQHDISAWTX AEALFGASRG DATA SEQUENCE ARDVIQVVID HNVGAGVITD GHLLHAGSSS LVEIGHTQVD PYGKRCYCGN DATA SEQUENCE HGCLETIASV DSILELAQLR LNQSXSSXLH GQPLTVDSLC QAALRGDLLA DATA SEQUENCE KDIITGVGAH VGRILAIXVN LFNPQKILIG SPLSKAADIL FPVISDSIRQ DATA SEQUENCE QALPAYSQHI SVESTQFSNQ GTXAGAALVK DAXYNGSLLI RLLQG 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.001 176.000 0.002 0.000 1.003 12 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 12 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 13 I N 1.940 122.512 120.570 0.003 0.000 2.163 13 I HA -0.159 4.013 4.170 0.005 0.000 0.243 13 I C 2.264 178.383 176.117 0.004 0.000 1.085 13 I CA 1.982 63.284 61.300 0.003 0.000 1.347 13 I CB -0.646 37.356 38.000 0.004 0.000 1.044 13 I HN 0.256 nan 8.210 nan 0.000 0.408 14 K N 0.502 120.905 120.400 0.004 0.000 2.044 14 K HA -0.299 4.024 4.320 0.005 0.000 0.210 14 K C 2.320 178.922 176.600 0.002 0.000 1.049 14 K CA 1.853 58.143 56.287 0.004 0.000 0.927 14 K CB -0.221 32.281 32.500 0.004 0.000 0.713 14 K HN 0.423 nan 8.250 nan 0.000 0.443 15 Q N -0.277 119.523 119.800 0.000 0.000 2.002 15 Q HA -0.177 4.166 4.340 0.005 0.000 0.204 15 Q C 1.917 177.917 176.000 -0.001 0.000 0.988 15 Q CA 2.469 58.270 55.803 -0.003 0.000 0.843 15 Q CB -0.181 28.555 28.738 -0.003 0.000 0.908 15 Q HN 0.396 nan 8.270 nan 0.000 0.420 16 T N 1.499 116.053 114.554 0.001 0.000 2.607 16 T HA -0.175 4.178 4.350 0.005 0.000 0.267 16 T C 1.570 176.274 174.700 0.006 0.000 1.049 16 T CA 1.579 63.680 62.100 0.002 0.000 1.162 16 T CB -0.457 68.411 68.868 0.000 0.000 0.863 16 T HN 0.338 nan 8.240 nan 0.000 0.424 17 N N 1.543 120.247 118.700 0.006 0.000 2.036 17 N HA -0.108 4.635 4.740 0.005 0.000 0.195 17 N C 2.130 177.650 175.510 0.017 0.000 1.037 17 N CA 1.588 54.643 53.050 0.008 0.000 0.855 17 N CB -0.868 37.624 38.487 0.008 0.000 1.033 17 N HN 0.457 nan 8.380 nan 0.000 0.423 18 A N 0.553 123.384 122.820 0.019 0.000 1.883 18 A HA -0.063 4.260 4.320 0.005 0.000 0.217 18 A C 2.439 180.059 177.584 0.060 0.000 1.186 18 A CA 2.176 54.232 52.037 0.032 0.000 0.624 18 A CB -1.329 17.678 19.000 0.012 0.000 0.822 18 A HN 0.392 nan 8.150 nan 0.000 0.444 19 G N -0.721 108.104 108.800 0.042 0.000 2.418 19 G HA2 0.012 3.975 3.960 0.005 0.000 0.217 19 G HA3 0.012 3.975 3.960 0.005 0.000 0.217 19 G C 1.735 176.678 174.900 0.071 0.000 1.158 19 G CA 1.450 46.595 45.100 0.076 0.000 0.771 19 G HN 0.864 nan 8.290 nan 0.000 0.545 20 A N -0.059 122.772 122.820 0.018 0.000 1.972 20 A HA 0.115 4.438 4.320 0.005 0.000 0.219 20 A C 2.522 180.087 177.584 -0.033 0.000 1.169 20 A CA 1.797 53.817 52.037 -0.028 0.000 0.635 20 A CB -0.358 18.630 19.000 -0.021 0.000 0.810 20 A HN 0.274 nan 8.150 nan 0.000 0.446 21 V N -2.003 117.918 119.914 0.011 0.000 2.535 21 V HA -0.165 3.958 4.120 0.005 0.000 0.246 21 V C 2.216 178.317 176.094 0.013 0.000 1.045 21 V CA 1.533 63.836 62.300 0.004 0.000 1.058 21 V CB -0.929 30.908 31.823 0.022 0.000 0.689 21 V HN 0.690 nan 8.190 nan 0.000 0.461 22 Y N 1.477 121.752 120.300 -0.042 0.000 2.145 22 Y HA -0.261 4.292 4.550 0.005 0.000 0.286 22 Y C 2.781 178.649 175.900 -0.054 0.000 1.145 22 Y CA 2.241 60.331 58.100 -0.017 0.000 1.148 22 Y CB -0.194 38.281 38.460 0.025 0.000 0.981 22 Y HN 0.078 nan 8.280 nan 0.000 0.507 23 R N 0.135 120.612 120.500 -0.039 0.000 2.112 23 R HA -0.245 4.098 4.340 0.005 0.000 0.242 23 R C 2.168 178.268 176.300 -0.334 0.000 1.137 23 R CA 2.461 58.259 56.100 -0.503 0.000 0.944 23 R CB -0.661 29.221 30.300 -0.696 0.000 0.857 23 R HN 0.477 nan 8.270 nan 0.000 0.435 24 L N 0.175 121.267 121.223 -0.218 0.000 1.994 24 L HA -0.208 4.135 4.340 0.005 0.000 0.208 24 L C 2.547 179.324 176.870 -0.155 0.000 1.071 24 L CA 1.452 56.198 54.840 -0.156 0.000 0.745 24 L CB -0.457 41.540 42.059 -0.104 0.000 0.892 24 L HN 0.287 nan 8.230 nan 0.000 0.431 25 I N -0.039 120.417 120.570 -0.189 0.000 2.151 25 I HA -0.370 3.803 4.170 0.005 0.000 0.243 25 I C 2.378 178.359 176.117 -0.227 0.000 1.080 25 I CA 1.720 62.898 61.300 -0.204 0.000 1.339 25 I CB -0.491 37.358 38.000 -0.252 0.000 1.039 25 I HN 0.408 nan 8.210 nan 0.000 0.409 26 D N 0.605 120.798 120.400 -0.344 0.000 2.104 26 D HA -0.228 4.415 4.640 0.005 0.000 0.194 26 D C 2.195 178.463 176.300 -0.054 0.000 0.994 26 D CA 1.735 55.614 54.000 -0.202 0.000 0.830 26 D CB -0.012 40.732 40.800 -0.094 0.000 0.959 26 D HN 0.389 nan 8.370 nan 0.000 0.452 27 Q N -1.108 118.650 119.800 -0.070 0.000 2.163 27 Q HA 0.139 4.482 4.340 0.005 0.000 0.198 27 Q C 1.999 177.987 176.000 -0.020 0.000 0.954 27 Q CA 0.536 56.327 55.803 -0.020 0.000 0.851 27 Q CB 0.475 29.182 28.738 -0.052 0.000 0.928 27 Q HN 0.329 nan 8.270 nan 0.000 0.459 28 L N -0.926 120.269 121.223 -0.046 0.000 2.701 28 L HA 0.300 4.643 4.340 0.005 0.000 0.238 28 L C 1.055 177.908 176.870 -0.028 0.000 1.106 28 L CA -0.464 54.357 54.840 -0.031 0.000 0.898 28 L CB 0.320 42.356 42.059 -0.037 0.000 1.188 28 L HN 0.032 nan 8.230 nan 0.000 0.508 29 G N 1.604 110.379 108.800 -0.041 0.000 2.414 29 G HA2 0.196 4.158 3.960 0.005 0.000 0.236 29 G HA3 0.196 4.158 3.960 0.005 0.000 0.236 29 G C -2.352 172.541 174.900 -0.010 0.000 1.293 29 G CA -0.536 44.545 45.100 -0.031 0.000 0.869 29 G HN -0.033 nan 8.290 nan 0.000 0.556 30 P HA 0.216 nan 4.420 nan 0.000 0.261 30 P C -0.345 176.950 177.300 -0.009 0.000 1.183 30 P CA -0.018 63.080 63.100 -0.003 0.000 0.761 30 P CB 1.118 32.821 31.700 0.004 0.000 0.785 31 V N 2.598 122.504 119.914 -0.013 0.000 3.087 31 V HA 0.545 4.668 4.120 0.005 0.000 0.306 31 V C -0.504 175.584 176.094 -0.010 0.000 1.187 31 V CA -0.535 61.756 62.300 -0.015 0.000 0.999 31 V CB 2.549 34.355 31.823 -0.028 0.000 1.049 31 V HN 0.633 nan 8.190 nan 0.000 0.431 32 S N 4.938 120.634 115.700 -0.007 0.000 2.646 32 S HA 0.496 4.968 4.470 0.005 0.000 0.276 32 S C 0.906 175.504 174.600 -0.003 0.000 1.222 32 S CA -0.310 57.889 58.200 -0.002 0.000 1.014 32 S CB 1.543 64.743 63.200 -0.000 0.000 0.991 32 S HN 0.782 nan 8.310 nan 0.000 0.533 33 R N 0.339 120.841 120.500 0.003 0.000 2.103 33 R HA -0.071 4.272 4.340 0.005 0.000 0.242 33 R C 1.884 178.185 176.300 0.001 0.000 1.142 33 R CA 2.032 58.135 56.100 0.005 0.000 0.960 33 R CB -0.730 29.577 30.300 0.011 0.000 0.858 33 R HN 0.781 nan 8.270 nan 0.000 0.439 34 I N 0.565 121.136 120.570 0.001 0.000 2.226 34 I HA -0.290 3.882 4.170 0.005 0.000 0.245 34 I C 1.787 177.902 176.117 -0.004 0.000 1.100 34 I CA 1.361 62.661 61.300 -0.001 0.000 1.374 34 I CB -0.210 37.790 38.000 -0.001 0.000 1.057 34 I HN 0.110 nan 8.210 nan 0.000 0.413 35 D N 0.454 120.850 120.400 -0.006 0.000 2.117 35 D HA -0.086 4.556 4.640 0.005 0.000 0.198 35 D C 2.367 178.659 176.300 -0.013 0.000 0.982 35 D CA 1.165 55.159 54.000 -0.010 0.000 0.828 35 D CB -0.215 40.578 40.800 -0.011 0.000 0.967 35 D HN 0.245 nan 8.370 nan 0.000 0.464 36 L N 0.474 121.689 121.223 -0.014 0.000 2.079 36 L HA -0.199 4.144 4.340 0.005 0.000 0.210 36 L C 2.561 179.424 176.870 -0.013 0.000 1.081 36 L CA 0.981 55.810 54.840 -0.018 0.000 0.752 36 L CB -0.514 41.536 42.059 -0.015 0.000 0.896 36 L HN -0.011 nan 8.230 nan 0.000 0.433 37 S N 0.287 115.982 115.700 -0.008 0.000 2.359 37 S HA -0.235 4.238 4.470 0.005 0.000 0.224 37 S C 2.147 176.743 174.600 -0.008 0.000 1.035 37 S CA 1.900 60.096 58.200 -0.006 0.000 1.018 37 S CB -0.108 63.090 63.200 -0.003 0.000 0.876 37 S HN 0.518 nan 8.310 nan 0.000 0.448 38 R N 0.436 120.931 120.500 -0.009 0.000 2.075 38 R HA 0.135 4.478 4.340 0.005 0.000 0.226 38 R C 2.388 178.680 176.300 -0.012 0.000 1.114 38 R CA 1.319 57.414 56.100 -0.009 0.000 0.972 38 R CB -0.767 29.528 30.300 -0.008 0.000 0.869 38 R HN 0.361 nan 8.270 nan 0.000 0.437 39 L N 1.075 122.288 121.223 -0.016 0.000 2.056 39 L HA -0.019 4.324 4.340 0.005 0.000 0.207 39 L C 2.600 179.457 176.870 -0.023 0.000 1.078 39 L CA 1.300 56.127 54.840 -0.021 0.000 0.749 39 L CB -0.417 41.625 42.059 -0.027 0.000 0.901 39 L HN 0.374 nan 8.230 nan 0.000 0.433 40 A N -1.380 121.428 122.820 -0.021 0.000 2.238 40 A HA -0.028 4.294 4.320 0.005 0.000 0.208 40 A C 0.914 178.491 177.584 -0.012 0.000 1.177 40 A CA -0.112 51.914 52.037 -0.019 0.000 0.804 40 A CB -0.234 18.756 19.000 -0.018 0.000 0.823 40 A HN 0.492 nan 8.150 nan 0.000 0.482 41 Q N -1.702 118.091 119.800 -0.010 0.000 2.448 41 Q HA -0.178 4.165 4.340 0.005 0.000 0.356 41 Q C -1.530 174.467 176.000 -0.005 0.000 1.430 41 Q CA 0.356 56.155 55.803 -0.007 0.000 1.011 41 Q CB -1.120 27.614 28.738 -0.007 0.000 1.203 41 Q HN 0.394 nan 8.270 nan 0.000 0.351 42 L N -0.204 121.016 121.223 -0.004 0.000 2.482 42 L HA 0.664 5.007 4.340 0.005 0.000 0.263 42 L C -0.243 176.626 176.870 -0.001 0.000 0.957 42 L CA 0.057 54.897 54.840 -0.001 0.000 0.836 42 L CB 1.662 43.721 42.059 0.000 0.000 1.324 42 L HN 0.321 nan 8.230 nan 0.000 0.406 43 A N 4.819 127.639 122.820 0.000 0.000 2.598 43 A HA 0.238 4.561 4.320 0.005 0.000 0.239 43 A C -1.500 176.085 177.584 0.001 0.000 1.032 43 A CA -0.127 51.910 52.037 0.000 0.000 0.760 43 A CB -0.551 18.449 19.000 0.001 0.000 0.946 43 A HN 0.743 nan 8.150 nan 0.000 0.512 44 P HA -0.277 nan 4.420 nan 0.000 0.218 44 P C 1.695 178.997 177.300 0.003 0.000 1.152 44 P CA 2.524 65.625 63.100 0.001 0.000 0.857 44 P CB 0.089 31.789 31.700 -0.000 0.000 0.787 45 A N -0.788 122.032 122.820 0.001 0.000 1.883 45 A HA -0.212 4.111 4.320 0.005 0.000 0.217 45 A C 2.369 179.957 177.584 0.006 0.000 1.186 45 A CA 2.408 54.445 52.037 0.000 0.000 0.624 45 A CB -1.550 17.449 19.000 -0.002 0.000 0.822 45 A HN 0.159 nan 8.150 nan 0.000 0.444 46 S N -0.166 115.538 115.700 0.007 0.000 2.353 46 S HA -0.175 4.298 4.470 0.005 0.000 0.222 46 S C 1.800 176.410 174.600 0.017 0.000 1.035 46 S CA 1.629 59.836 58.200 0.011 0.000 1.025 46 S CB -0.512 62.693 63.200 0.008 0.000 0.902 46 S HN 0.409 nan 8.310 nan 0.000 0.440 47 I N 1.986 122.564 120.570 0.013 0.000 2.151 47 I HA -0.213 3.960 4.170 0.005 0.000 0.243 47 I C 2.561 178.694 176.117 0.028 0.000 1.080 47 I CA 1.528 62.839 61.300 0.017 0.000 1.339 47 I CB -1.255 36.752 38.000 0.010 0.000 1.039 47 I HN 0.243 nan 8.210 nan 0.000 0.409 48 T N -0.157 114.411 114.554 0.023 0.000 2.665 48 T HA -0.290 4.062 4.350 0.005 0.000 0.268 48 T C 2.026 176.762 174.700 0.059 0.000 1.035 48 T CA 1.932 64.051 62.100 0.031 0.000 1.151 48 T CB -0.210 68.661 68.868 0.005 0.000 0.862 48 T HN 0.150 nan 8.240 nan 0.000 0.438 49 K N 0.611 121.038 120.400 0.046 0.000 2.002 49 K HA 0.067 4.389 4.320 0.005 0.000 0.209 49 K C 2.138 178.788 176.600 0.082 0.000 1.048 49 K CA 1.167 57.493 56.287 0.065 0.000 0.930 49 K CB -0.490 32.033 32.500 0.038 0.000 0.714 49 K HN 0.304 nan 8.250 nan 0.000 0.438 50 I N -0.034 120.569 120.570 0.055 0.000 2.163 50 I HA -0.306 3.867 4.170 0.005 0.000 0.243 50 I C 2.008 178.158 176.117 0.055 0.000 1.085 50 I CA 1.141 62.469 61.300 0.047 0.000 1.347 50 I CB -0.235 37.786 38.000 0.036 0.000 1.044 50 I HN -0.013 nan 8.210 nan 0.000 0.408 51 V N 0.201 120.154 119.914 0.064 0.000 2.407 51 V HA -0.311 3.812 4.120 0.005 0.000 0.248 51 V C 2.455 178.596 176.094 0.078 0.000 1.055 51 V CA 1.979 64.317 62.300 0.064 0.000 1.049 51 V CB -0.950 30.908 31.823 0.058 0.000 0.662 51 V HN 0.535 nan 8.190 nan 0.000 0.455 52 H N 0.243 119.319 119.070 0.010 0.000 2.428 52 H HA 0.015 4.574 4.556 0.005 0.000 0.296 52 H C 1.337 176.664 175.328 -0.001 0.000 1.062 52 H CA 0.672 56.723 56.048 0.006 0.000 1.350 52 H CB 0.389 30.154 29.762 0.004 0.000 1.403 52 H HN 0.529 nan 8.280 nan 0.000 0.533 56 E N 1.256 121.253 120.200 -0.339 0.000 2.409 56 E HA -0.021 4.332 4.350 0.005 0.000 0.198 56 E C 1.553 177.918 176.600 -0.392 0.000 1.024 56 E CA 1.171 57.343 56.400 -0.380 0.000 0.861 56 E CB 0.321 29.799 29.700 -0.370 0.000 0.788 56 E HN 0.509 nan 8.360 nan 0.000 0.521 57 A N -0.067 122.594 122.820 -0.264 0.000 2.303 57 A HA 0.017 4.340 4.320 0.005 0.000 0.217 57 A C 0.009 177.666 177.584 0.122 0.000 1.205 57 A CA -0.112 51.880 52.037 -0.074 0.000 0.875 57 A CB -0.071 18.941 19.000 0.020 0.000 0.910 57 A HN 0.278 nan 8.150 nan 0.000 0.501 58 H N -1.511 117.691 119.070 0.220 0.000 2.903 58 H HA -0.137 4.422 4.556 0.005 0.000 0.285 58 H C 0.708 176.316 175.328 0.467 0.000 1.231 58 H CA 1.051 57.268 56.048 0.281 0.000 1.135 58 H CB -2.046 27.849 29.762 0.222 0.000 1.328 58 H HN 0.493 nan 8.280 nan 0.000 0.388 59 L N -0.493 120.921 121.223 0.318 0.000 2.509 59 L HA 0.168 4.511 4.340 0.005 0.000 0.222 59 L C 0.650 177.657 176.870 0.227 0.000 1.123 59 L CA 0.478 55.414 54.840 0.161 0.000 0.856 59 L CB 0.616 42.653 42.059 -0.036 0.000 0.985 59 L HN -0.007 nan 8.230 nan 0.000 0.456 60 V N -0.924 119.109 119.914 0.198 0.000 2.969 60 V HA 0.304 4.427 4.120 0.005 0.000 0.304 60 V C -1.075 175.096 176.094 0.129 0.000 1.192 60 V CA -0.687 61.692 62.300 0.132 0.000 0.962 60 V CB 2.754 34.627 31.823 0.085 0.000 1.045 60 V HN 0.036 nan 8.190 nan 0.000 0.428 61 Q N 1.509 121.370 119.800 0.101 0.000 2.433 61 Q HA 0.621 4.964 4.340 0.005 0.000 0.279 61 Q C -1.024 175.014 176.000 0.063 0.000 1.105 61 Q CA -0.672 55.188 55.803 0.096 0.000 0.815 61 Q CB 2.856 31.654 28.738 0.099 0.000 1.403 61 Q HN 0.782 nan 8.270 nan 0.000 0.435 62 E N 1.278 121.514 120.200 0.061 0.000 2.232 62 E HA 0.632 4.985 4.350 0.005 0.000 0.265 62 E C -0.850 175.774 176.600 0.039 0.000 1.001 62 E CA -0.522 55.906 56.400 0.046 0.000 0.870 62 E CB 1.418 31.146 29.700 0.048 0.000 1.175 62 E HN 0.411 nan 8.360 nan 0.000 0.407 78 L N 0.430 121.655 121.223 0.003 0.000 2.357 78 L HA 0.866 5.208 4.340 0.005 0.000 0.273 78 L C 0.255 177.117 176.870 -0.013 0.000 1.080 78 L CA -0.856 53.984 54.840 0.000 0.000 0.803 78 L CB 1.199 43.254 42.059 -0.008 0.000 1.174 78 L HN 0.424 nan 8.230 nan 0.000 0.443 79 V N 2.246 122.155 119.914 -0.008 0.000 3.120 79 V HA 0.410 4.533 4.120 0.005 0.000 0.303 79 V C -0.412 175.679 176.094 -0.005 0.000 1.238 79 V CA -0.700 61.593 62.300 -0.013 0.000 1.008 79 V CB 3.140 34.971 31.823 0.014 0.000 1.064 79 V HN 0.426 nan 8.190 nan 0.000 0.434 80 V N 2.709 122.608 119.914 -0.024 0.000 2.881 80 V HA 0.348 4.471 4.120 0.005 0.000 0.303 80 V C 0.130 176.296 176.094 0.120 0.000 1.070 80 V CA -0.094 62.216 62.300 0.016 0.000 1.074 80 V CB 1.599 33.401 31.823 -0.036 0.000 1.012 80 V HN 0.803 nan 8.190 nan 0.000 0.482 81 E N 2.129 122.455 120.200 0.209 0.000 2.102 81 E HA 0.281 4.634 4.350 0.005 0.000 0.263 81 E C 0.464 177.292 176.600 0.380 0.000 0.894 81 E CA 0.012 56.572 56.400 0.267 0.000 0.746 81 E CB 1.674 31.567 29.700 0.321 0.000 1.129 81 E HN 0.884 nan 8.360 nan 0.000 0.416 82 T N 0.303 115.039 114.554 0.304 0.000 3.018 82 T HA 0.145 4.498 4.350 0.005 0.000 0.246 82 T C 1.335 176.230 174.700 0.325 0.000 1.026 82 T CA -0.039 62.268 62.100 0.345 0.000 1.081 82 T CB 0.190 69.208 68.868 0.250 0.000 0.970 82 T HN 0.307 nan 8.240 nan 0.000 0.475 83 E N 1.788 122.110 120.200 0.205 0.000 2.038 83 E HA -0.102 4.251 4.350 0.005 0.000 0.195 83 E C 2.455 179.066 176.600 0.018 0.000 1.000 83 E CA 1.305 57.782 56.400 0.129 0.000 0.803 83 E CB -0.344 29.395 29.700 0.065 0.000 0.750 83 E HN 0.617 nan 8.360 nan 0.000 0.448 84 A N 0.281 123.031 122.820 -0.117 0.000 2.186 84 A HA -0.146 4.177 4.320 0.005 0.000 0.219 84 A C 0.023 177.203 177.584 -0.672 0.000 1.159 84 A CA 0.767 52.531 52.037 -0.454 0.000 0.680 84 A CB -0.495 18.151 19.000 -0.590 0.000 0.787 84 A HN 0.233 nan 8.150 nan 0.000 0.467 85 W N -0.391 120.897 121.300 -0.021 0.000 2.411 85 W HA 0.572 5.235 4.660 0.005 0.000 0.317 85 W C -0.197 176.444 176.519 0.203 0.000 1.030 85 W CA -0.582 56.791 57.345 0.047 0.000 1.239 85 W CB 0.788 30.313 29.460 0.108 0.000 1.304 85 W HN 0.107 nan 8.180 nan 0.000 0.437 86 H N 1.606 120.874 119.070 0.329 0.000 2.595 86 H HA 0.496 5.055 4.556 0.005 0.000 0.346 86 H C -0.659 174.893 175.328 0.373 0.000 1.181 86 H CA -1.301 54.906 56.048 0.265 0.000 1.242 86 H CB 1.685 31.547 29.762 0.166 0.000 1.652 86 H HN 0.529 nan 8.280 nan 0.000 0.548 87 Y N -1.356 119.118 120.300 0.290 0.000 2.588 87 Y HA 0.511 5.064 4.550 0.004 0.000 0.343 87 Y C -1.538 174.468 175.900 0.176 0.000 1.065 87 Y CA -1.198 57.037 58.100 0.224 0.000 1.038 87 Y CB 1.292 39.854 38.460 0.171 0.000 1.297 87 Y HN 0.407 nan 8.280 nan 0.000 0.467 88 L N 3.656 125.032 121.223 0.255 0.000 2.276 88 L HA 0.496 4.839 4.340 0.005 0.000 0.286 88 L C -0.504 176.436 176.870 0.116 0.000 1.061 88 L CA -0.519 54.363 54.840 0.069 0.000 0.807 88 L CB 1.322 43.461 42.059 0.133 0.000 1.177 88 L HN 0.955 nan 8.230 nan 0.000 0.429 89 S N 4.789 120.463 115.700 -0.044 0.000 2.437 89 S HA 0.610 5.083 4.470 0.005 0.000 0.305 89 S C -0.685 173.884 174.600 -0.052 0.000 1.109 89 S CA -0.967 57.273 58.200 0.067 0.000 1.099 89 S CB 1.890 65.184 63.200 0.156 0.000 1.004 89 S HN 0.312 nan 8.310 nan 0.000 0.475 90 L N 2.727 123.938 121.223 -0.019 0.000 2.325 90 L HA 0.602 4.945 4.340 0.005 0.000 0.279 90 L C 0.444 177.324 176.870 0.016 0.000 1.054 90 L CA -0.228 54.587 54.840 -0.041 0.000 0.804 90 L CB 1.189 43.221 42.059 -0.045 0.000 1.200 90 L HN 0.823 nan 8.230 nan 0.000 0.436 91 R N 2.859 123.406 120.500 0.079 0.000 2.621 91 R HA 0.716 5.059 4.340 0.005 0.000 0.292 91 R C -1.352 175.076 176.300 0.213 0.000 0.969 91 R CA -0.616 55.561 56.100 0.129 0.000 0.887 91 R CB 1.507 31.849 30.300 0.070 0.000 1.180 91 R HN 0.596 nan 8.270 nan 0.000 0.450 92 I N 2.901 123.549 120.570 0.130 0.000 2.474 92 I HA 0.355 4.528 4.170 0.005 0.000 0.294 92 I C -0.158 176.061 176.117 0.170 0.000 1.005 92 I CA -0.260 61.103 61.300 0.105 0.000 1.113 92 I CB 2.079 40.099 38.000 0.033 0.000 1.289 92 I HN 0.796 nan 8.210 nan 0.000 0.436 93 S N 4.951 120.754 115.700 0.172 0.000 2.819 93 S HA 0.483 4.956 4.470 0.005 0.000 0.299 93 S C -0.422 174.187 174.600 0.015 0.000 1.192 93 S CA -1.098 57.187 58.200 0.142 0.000 0.847 93 S CB 1.241 64.501 63.200 0.100 0.000 1.224 93 S HN 0.614 nan 8.310 nan 0.000 0.537 94 R N 0.567 120.846 120.500 -0.368 0.000 2.561 94 R HA 0.317 4.660 4.340 0.005 0.000 0.347 94 R C 1.257 177.307 176.300 -0.417 0.000 0.916 94 R CA 1.415 57.019 56.100 -0.828 0.000 1.063 94 R CB -1.147 28.257 30.300 -1.492 0.000 0.916 94 R HN 1.519 nan 8.270 nan 0.000 0.410 95 G N 3.227 111.879 108.800 -0.247 0.000 2.225 95 G HA2 -0.305 3.658 3.960 0.005 0.000 0.267 95 G HA3 -0.305 3.658 3.960 0.005 0.000 0.267 95 G C -0.293 174.538 174.900 -0.116 0.000 1.024 95 G CA 0.640 45.670 45.100 -0.117 0.000 0.784 95 G HN 0.666 nan 8.290 nan 0.000 0.507 96 E N -1.204 118.913 120.200 -0.138 0.000 2.335 96 E HA 0.543 4.895 4.350 0.005 0.000 0.280 96 E C -0.991 175.366 176.600 -0.405 0.000 0.918 96 E CA -0.882 55.306 56.400 -0.354 0.000 0.765 96 E CB 2.353 31.715 29.700 -0.562 0.000 1.218 96 E HN 0.269 nan 8.360 nan 0.000 0.425 97 I N 3.012 123.270 120.570 -0.520 0.000 2.406 97 I HA 0.413 4.585 4.170 0.005 0.000 0.290 97 I C -1.470 174.295 176.117 -0.587 0.000 0.999 97 I CA -0.633 60.399 61.300 -0.447 0.000 1.124 97 I CB 0.496 38.268 38.000 -0.381 0.000 1.289 97 I HN 0.352 nan 8.210 nan 0.000 0.441 98 F N 7.375 127.223 119.950 -0.170 0.000 2.408 98 F HA 0.573 5.102 4.527 0.004 0.000 0.344 98 F C -0.614 175.047 175.800 -0.233 0.000 1.112 98 F CA -0.669 57.228 58.000 -0.172 0.000 1.096 98 F CB 1.105 40.023 39.000 -0.137 0.000 1.129 98 F HN 0.156 nan 8.300 nan 0.000 0.486 99 L N 3.222 124.366 121.223 -0.131 0.000 2.365 99 L HA 0.875 5.217 4.340 0.005 0.000 0.273 99 L C -0.456 176.182 176.870 -0.387 0.000 1.000 99 L CA -0.671 53.907 54.840 -0.437 0.000 0.819 99 L CB 2.006 43.536 42.059 -0.881 0.000 1.284 99 L HN 0.766 nan 8.230 nan 0.000 0.418 100 A N 3.355 125.938 122.820 -0.394 0.000 2.408 100 A HA 0.658 4.981 4.320 0.005 0.000 0.295 100 A C -1.190 176.247 177.584 -0.244 0.000 1.040 100 A CA -0.430 51.472 52.037 -0.226 0.000 0.707 100 A CB 1.203 20.095 19.000 -0.180 0.000 1.235 100 A HN 0.664 nan 8.150 nan 0.000 0.418 101 L N 2.879 124.084 121.223 -0.030 0.000 2.319 101 L HA 0.504 4.847 4.340 0.005 0.000 0.280 101 L C -0.052 176.615 176.870 -0.340 0.000 1.099 101 L CA -0.028 54.750 54.840 -0.103 0.000 0.828 101 L CB 0.629 42.708 42.059 0.034 0.000 1.150 101 L HN 0.837 nan 8.230 nan 0.000 0.442 102 R N 2.547 122.724 120.500 -0.538 0.000 2.673 102 R HA 0.320 4.663 4.340 0.005 0.000 0.281 102 R C -1.228 174.904 176.300 -0.281 0.000 0.991 102 R CA -1.155 54.639 56.100 -0.511 0.000 0.896 102 R CB 1.850 31.741 30.300 -0.682 0.000 1.201 102 R HN 0.491 nan 8.270 nan 0.000 0.457 103 D N 1.355 121.748 120.400 -0.012 0.000 2.406 103 D HA -0.061 4.582 4.640 0.005 0.000 0.234 103 D C 1.350 177.880 176.300 0.382 0.000 1.196 103 D CA 0.338 54.503 54.000 0.275 0.000 0.881 103 D CB 0.779 41.697 40.800 0.197 0.000 1.205 103 D HN 0.419 nan 8.370 nan 0.000 0.453 104 L N 0.989 122.472 121.223 0.433 0.000 2.349 104 L HA -0.190 4.152 4.340 0.005 0.000 0.220 104 L C 2.081 179.111 176.870 0.266 0.000 1.130 104 L CA 0.991 56.046 54.840 0.358 0.000 0.791 104 L CB -0.424 41.809 42.059 0.291 0.000 0.918 104 L HN 0.348 nan 8.230 nan 0.000 0.444 105 S N -1.562 114.275 115.700 0.228 0.000 2.522 105 S HA -0.079 4.393 4.470 0.005 0.000 0.227 105 S C 1.407 176.067 174.600 0.100 0.000 0.986 105 S CA 0.506 58.796 58.200 0.149 0.000 0.929 105 S CB 0.181 63.450 63.200 0.115 0.000 0.769 105 S HN 0.612 nan 8.310 nan 0.000 0.529 106 S N -0.151 115.647 115.700 0.164 0.000 2.372 106 S HA -0.266 4.207 4.470 0.005 0.000 0.257 106 S C 0.160 174.752 174.600 -0.013 0.000 1.282 106 S CA 0.861 59.130 58.200 0.116 0.000 1.305 106 S CB -2.544 60.657 63.200 0.003 0.000 1.614 106 S HN 0.978 nan 8.310 nan 0.000 0.631 107 K N 2.094 122.492 120.400 -0.003 0.000 2.524 107 K HA 0.342 4.665 4.320 0.005 0.000 0.279 107 K C 0.133 176.682 176.600 -0.085 0.000 0.993 107 K CA 0.110 56.376 56.287 -0.036 0.000 1.030 107 K CB 0.220 32.720 32.500 -0.000 0.000 0.891 107 K HN 0.547 nan 8.250 nan 0.000 0.488 108 L N 5.511 126.673 121.223 -0.102 0.000 2.331 108 L HA 0.088 4.431 4.340 0.005 0.000 0.278 108 L C 0.487 177.278 176.870 -0.132 0.000 1.106 108 L CA -0.352 54.407 54.840 -0.135 0.000 0.824 108 L CB 1.168 43.158 42.059 -0.115 0.000 1.142 108 L HN 0.749 nan 8.230 nan 0.000 0.443 109 V N 5.057 124.861 119.914 -0.183 0.000 2.391 109 V HA 0.104 4.227 4.120 0.005 0.000 0.237 109 V C 0.107 176.101 176.094 -0.167 0.000 1.046 109 V CA 0.907 63.102 62.300 -0.176 0.000 1.053 109 V CB 0.546 32.201 31.823 -0.280 0.000 0.704 109 V HN 0.655 nan 8.190 nan 0.000 0.475 110 V N -1.443 118.367 119.914 -0.174 0.000 2.971 110 V HA 0.685 4.807 4.120 0.005 0.000 0.309 110 V C -1.126 174.954 176.094 -0.023 0.000 1.130 110 V CA -0.800 61.371 62.300 -0.216 0.000 0.964 110 V CB 2.269 33.701 31.823 -0.651 0.000 1.029 110 V HN 0.367 nan 8.190 nan 0.000 0.427 111 E N 1.115 121.307 120.200 -0.013 0.000 2.248 111 E HA 0.675 5.028 4.350 0.005 0.000 0.267 111 E C -1.224 175.458 176.600 0.137 0.000 0.877 111 E CA -0.490 55.948 56.400 0.063 0.000 0.759 111 E CB 2.563 32.263 29.700 0.000 0.000 1.182 111 E HN 0.886 nan 8.360 nan 0.000 0.418 112 E N 0.905 121.232 120.200 0.212 0.000 2.369 112 E HA 0.497 4.850 4.350 0.005 0.000 0.270 112 E C -1.553 175.082 176.600 0.058 0.000 0.909 112 E CA -0.754 55.748 56.400 0.171 0.000 0.775 112 E CB 1.957 31.844 29.700 0.311 0.000 1.270 112 E HN 0.473 nan 8.360 nan 0.000 0.445 113 S N 1.619 117.311 115.700 -0.013 0.000 2.548 113 S HA 0.610 5.083 4.470 0.005 0.000 0.286 113 S C -0.908 173.562 174.600 -0.216 0.000 1.098 113 S CA -1.053 57.032 58.200 -0.192 0.000 0.930 113 S CB 2.029 65.072 63.200 -0.262 0.000 1.070 113 S HN 0.342 nan 8.310 nan 0.000 0.480 114 Q N 0.644 120.235 119.800 -0.349 0.000 2.379 114 Q HA 0.428 4.771 4.340 0.005 0.000 0.278 114 Q C -1.234 174.570 176.000 -0.327 0.000 1.068 114 Q CA -0.759 54.864 55.803 -0.300 0.000 0.816 114 Q CB 2.067 30.557 28.738 -0.412 0.000 1.387 114 Q HN 0.828 nan 8.270 nan 0.000 0.413 115 E N 1.344 121.437 120.200 -0.178 0.000 2.652 115 E HA -0.023 4.330 4.350 0.005 0.000 0.255 115 E C -0.893 175.665 176.600 -0.071 0.000 0.952 115 E CA 0.627 56.964 56.400 -0.105 0.000 0.947 115 E CB 0.236 29.924 29.700 -0.021 0.000 0.912 115 E HN 0.342 nan 8.360 nan 0.000 0.489 116 L N 3.885 125.087 121.223 -0.035 0.000 2.502 116 L HA 0.410 4.753 4.340 0.005 0.000 0.247 116 L C -0.290 176.688 176.870 0.179 0.000 1.180 116 L CA -0.817 54.077 54.840 0.091 0.000 0.956 116 L CB 0.616 42.713 42.059 0.064 0.000 1.282 116 L HN 0.647 nan 8.230 nan 0.000 0.470 117 A N 1.967 124.859 122.820 0.121 0.000 2.609 117 A HA -0.005 4.318 4.320 0.005 0.000 0.232 117 A C 1.208 178.898 177.584 0.177 0.000 1.041 117 A CA 0.334 52.428 52.037 0.095 0.000 0.753 117 A CB 0.368 19.405 19.000 0.062 0.000 0.966 117 A HN 0.793 nan 8.150 nan 0.000 0.510 118 L N 0.799 122.058 121.223 0.061 0.000 2.044 118 L HA -0.030 4.313 4.340 0.005 0.000 0.205 118 L C 0.972 177.913 176.870 0.118 0.000 1.075 118 L CA 1.260 56.103 54.840 0.005 0.000 0.747 118 L CB -0.379 41.583 42.059 -0.161 0.000 0.903 118 L HN 0.633 nan 8.230 nan 0.000 0.435 119 K N 0.314 120.756 120.400 0.070 0.000 2.244 119 K HA 0.421 4.743 4.320 0.005 0.000 0.260 119 K C -1.237 175.399 176.600 0.059 0.000 0.951 119 K CA -0.378 55.950 56.287 0.067 0.000 0.826 119 K CB 2.085 34.608 32.500 0.039 0.000 1.108 119 K HN -0.094 nan 8.250 nan 0.000 0.433 120 D N 0.522 120.955 120.400 0.056 0.000 2.623 120 D HA 0.105 4.747 4.640 0.005 0.000 0.241 120 D C -0.027 176.287 176.300 0.023 0.000 1.241 120 D CA -0.441 53.580 54.000 0.035 0.000 0.788 120 D CB 1.499 42.320 40.800 0.035 0.000 1.413 120 D HN 0.316 nan 8.370 nan 0.000 0.429 121 D N 0.317 120.724 120.400 0.011 0.000 2.127 121 D HA -0.073 4.570 4.640 0.005 0.000 0.190 121 D C 0.466 176.767 176.300 0.001 0.000 1.000 121 D CA 1.286 55.289 54.000 0.005 0.000 0.839 121 D CB -0.094 40.705 40.800 -0.002 0.000 0.955 121 D HN 0.323 nan 8.370 nan 0.000 0.446 122 L N 1.181 122.400 121.223 -0.007 0.000 2.397 122 L HA 0.230 4.573 4.340 0.005 0.000 0.271 122 L C -2.048 174.812 176.870 -0.015 0.000 1.148 122 L CA -1.764 53.065 54.840 -0.018 0.000 0.825 122 L CB 0.354 42.392 42.059 -0.034 0.000 1.117 122 L HN -0.160 nan 8.230 nan 0.000 0.456 123 P HA -0.085 nan 4.420 nan 0.000 0.265 123 P C 0.483 177.756 177.300 -0.045 0.000 1.187 123 P CA -0.217 62.868 63.100 -0.024 0.000 0.766 123 P CB 0.568 32.250 31.700 -0.029 0.000 0.820 124 L N 4.403 125.592 121.223 -0.056 0.000 2.043 124 L HA -0.184 4.158 4.340 0.005 0.000 0.212 124 L C 1.988 178.785 176.870 -0.121 0.000 1.075 124 L CA 1.715 56.483 54.840 -0.120 0.000 0.752 124 L CB -1.126 40.808 42.059 -0.208 0.000 0.891 124 L HN 0.389 nan 8.230 nan 0.000 0.432 125 L N -0.826 120.338 121.223 -0.097 0.000 1.997 125 L HA -0.317 4.026 4.340 0.005 0.000 0.216 125 L C 2.247 179.060 176.870 -0.095 0.000 1.074 125 L CA 2.229 57.015 54.840 -0.090 0.000 0.763 125 L CB -0.620 41.397 42.059 -0.069 0.000 0.890 125 L HN 0.433 nan 8.230 nan 0.000 0.434 126 D N -0.537 119.810 120.400 -0.087 0.000 2.077 126 D HA -0.199 4.444 4.640 0.005 0.000 0.196 126 D C 2.140 178.372 176.300 -0.114 0.000 0.986 126 D CA 1.160 55.100 54.000 -0.099 0.000 0.829 126 D CB -0.251 40.502 40.800 -0.078 0.000 0.983 126 D HN 0.249 nan 8.370 nan 0.000 0.453 127 R N 0.345 120.783 120.500 -0.104 0.000 2.165 127 R HA -0.186 4.157 4.340 0.005 0.000 0.254 127 R C 2.534 178.777 176.300 -0.095 0.000 1.153 127 R CA 1.084 57.109 56.100 -0.125 0.000 0.971 127 R CB -0.415 29.842 30.300 -0.072 0.000 0.878 127 R HN 0.269 nan 8.270 nan 0.000 0.449 128 I N 0.054 120.592 120.570 -0.055 0.000 2.142 128 I HA -0.302 3.871 4.170 0.005 0.000 0.240 128 I C 2.196 178.284 176.117 -0.047 0.000 1.078 128 I CA 1.416 62.707 61.300 -0.014 0.000 1.343 128 I CB -0.250 37.710 38.000 -0.067 0.000 1.046 128 I HN 0.127 nan 8.210 nan 0.000 0.405 129 I N -0.068 120.431 120.570 -0.118 0.000 2.194 129 I HA -0.387 3.786 4.170 0.005 0.000 0.246 129 I C 2.768 178.804 176.117 -0.135 0.000 1.093 129 I CA 1.554 62.739 61.300 -0.191 0.000 1.355 129 I CB -0.399 37.389 38.000 -0.353 0.000 1.046 129 I HN 0.222 nan 8.210 nan 0.000 0.413 130 S N -0.288 115.326 115.700 -0.144 0.000 2.374 130 S HA -0.261 4.211 4.470 0.005 0.000 0.227 130 S C 2.153 176.675 174.600 -0.129 0.000 1.037 130 S CA 1.527 59.636 58.200 -0.152 0.000 1.024 130 S CB -0.362 62.699 63.200 -0.232 0.000 0.861 130 S HN 0.444 nan 8.310 nan 0.000 0.456 131 H N 0.697 119.730 119.070 -0.061 0.000 2.357 131 H HA 0.075 4.633 4.556 0.004 0.000 0.301 131 H C 2.229 177.525 175.328 -0.054 0.000 1.082 131 H CA 1.508 57.523 56.048 -0.056 0.000 1.342 131 H CB -0.426 29.283 29.762 -0.087 0.000 1.389 131 H HN 0.435 nan 8.280 nan 0.000 0.511 132 I N 0.678 121.273 120.570 0.041 0.000 2.142 132 I HA -0.253 3.920 4.170 0.005 0.000 0.240 132 I C 2.088 178.204 176.117 -0.002 0.000 1.078 132 I CA 1.289 62.546 61.300 -0.072 0.000 1.343 132 I CB -0.249 37.737 38.000 -0.023 0.000 1.046 132 I HN 0.079 nan 8.210 nan 0.000 0.405 133 D N 0.792 121.267 120.400 0.124 0.000 2.116 133 D HA -0.218 4.425 4.640 0.005 0.000 0.193 133 D C 2.280 178.669 176.300 0.148 0.000 0.998 133 D CA 1.343 55.475 54.000 0.220 0.000 0.836 133 D CB -0.354 40.560 40.800 0.190 0.000 0.951 133 D HN 0.444 nan 8.370 nan 0.000 0.449 134 Q N -0.660 119.189 119.800 0.083 0.000 2.096 134 Q HA -0.167 4.176 4.340 0.005 0.000 0.204 134 Q C 2.158 178.180 176.000 0.035 0.000 0.982 134 Q CA 0.871 56.705 55.803 0.051 0.000 0.850 134 Q CB -0.297 28.470 28.738 0.047 0.000 0.901 134 Q HN 0.289 nan 8.270 nan 0.000 0.422 135 F N 0.732 120.614 119.950 -0.114 0.000 2.025 135 F HA -0.278 4.253 4.527 0.005 0.000 0.297 135 F C 1.856 177.588 175.800 -0.113 0.000 1.132 135 F CA 1.710 59.616 58.000 -0.157 0.000 1.191 135 F CB -0.440 38.396 39.000 -0.274 0.000 0.963 135 F HN -0.025 nan 8.300 nan 0.000 0.481 136 F N 0.186 120.295 119.950 0.265 0.000 2.120 136 F HA -0.279 4.250 4.527 0.004 0.000 0.300 136 F C 2.381 178.179 175.800 -0.004 0.000 1.095 136 F CA 1.355 59.434 58.000 0.132 0.000 1.249 136 F CB -0.737 38.363 39.000 0.166 0.000 0.995 136 F HN -0.007 nan 8.300 nan 0.000 0.480 137 I N -0.361 120.296 120.570 0.144 0.000 2.226 137 I HA -0.298 3.875 4.170 0.005 0.000 0.245 137 I C 2.679 178.743 176.117 -0.090 0.000 1.100 137 I CA 1.290 62.611 61.300 0.034 0.000 1.374 137 I CB -0.397 37.617 38.000 0.022 0.000 1.057 137 I HN 0.052 nan 8.210 nan 0.000 0.413 138 R N 0.004 120.358 120.500 -0.244 0.000 2.066 138 R HA -0.114 4.229 4.340 0.005 0.000 0.232 138 R C 1.171 177.150 176.300 -0.535 0.000 1.131 138 R CA 1.222 57.033 56.100 -0.482 0.000 0.955 138 R CB -0.008 29.804 30.300 -0.813 0.000 0.851 138 R HN 0.409 nan 8.270 nan 0.000 0.432 139 H N -0.143 118.776 119.070 -0.251 0.000 2.503 139 H HA 0.079 4.638 4.556 0.004 0.000 0.296 139 H C 1.059 176.343 175.328 -0.072 0.000 1.097 139 H CA -0.161 55.744 56.048 -0.239 0.000 1.055 139 H CB 0.774 30.230 29.762 -0.510 0.000 1.580 139 H HN 0.300 nan 8.280 nan 0.000 0.546 140 Q N 1.495 121.323 119.800 0.047 0.000 2.181 140 Q HA -0.125 4.218 4.340 0.005 0.000 0.205 140 Q C 1.160 177.201 176.000 0.069 0.000 0.980 140 Q CA 1.143 56.999 55.803 0.090 0.000 0.862 140 Q CB 0.255 29.025 28.738 0.055 0.000 0.905 140 Q HN 0.411 nan 8.270 nan 0.000 0.429 141 K N -0.141 120.287 120.400 0.046 0.000 2.366 141 K HA -0.049 4.274 4.320 0.005 0.000 0.198 141 K C 1.654 178.284 176.600 0.049 0.000 1.044 141 K CA 0.602 56.909 56.287 0.033 0.000 0.973 141 K CB 0.254 32.764 32.500 0.017 0.000 0.767 141 K HN 0.069 nan 8.250 nan 0.000 0.475 142 K N 0.396 120.843 120.400 0.079 0.000 2.379 142 K HA 0.138 4.461 4.320 0.005 0.000 0.194 142 K C 0.382 177.104 176.600 0.203 0.000 1.031 142 K CA -0.067 56.280 56.287 0.100 0.000 1.037 142 K CB 0.453 32.983 32.500 0.049 0.000 0.824 142 K HN 0.034 nan 8.250 nan 0.000 0.516 143 L N 1.907 123.244 121.223 0.191 0.000 2.410 143 L HA 0.054 4.396 4.340 0.005 0.000 0.273 143 L C 0.301 177.196 176.870 0.041 0.000 1.144 143 L CA 0.142 55.135 54.840 0.256 0.000 0.863 143 L CB 0.831 43.001 42.059 0.186 0.000 1.140 143 L HN 0.129 nan 8.230 nan 0.000 0.463 144 E N 2.950 123.019 120.200 -0.218 0.000 3.232 144 E HA 0.348 4.701 4.350 0.005 0.000 0.248 144 E C -0.550 175.852 176.600 -0.330 0.000 1.048 144 E CA -0.535 55.581 56.400 -0.473 0.000 1.204 144 E CB 0.616 29.759 29.700 -0.929 0.000 1.535 144 E HN 0.390 nan 8.360 nan 0.000 0.567 145 R N 0.531 120.802 120.500 -0.382 0.000 2.421 145 R HA 0.187 4.530 4.340 0.005 0.000 0.305 145 R C -0.629 175.698 176.300 0.045 0.000 1.039 145 R CA -0.226 55.761 56.100 -0.189 0.000 1.003 145 R CB -0.174 29.933 30.300 -0.322 0.000 0.959 145 R HN 0.215 nan 8.270 nan 0.000 0.427 146 L N 3.542 124.812 121.223 0.078 0.000 2.315 146 L HA 0.149 4.492 4.340 0.005 0.000 0.283 146 L C 1.094 178.094 176.870 0.217 0.000 1.089 146 L CA 0.678 55.618 54.840 0.168 0.000 0.833 146 L CB 1.091 43.170 42.059 0.033 0.000 1.170 146 L HN 0.879 nan 8.230 nan 0.000 0.442 147 T N -0.054 114.682 114.554 0.303 0.000 3.040 147 T HA 0.318 4.671 4.350 0.005 0.000 0.252 147 T C 0.483 175.306 174.700 0.205 0.000 1.064 147 T CA 0.494 62.750 62.100 0.261 0.000 1.110 147 T CB -0.191 68.832 68.868 0.258 0.000 0.921 147 T HN 0.846 nan 8.240 nan 0.000 0.480 148 S N -0.486 115.360 115.700 0.244 0.000 2.688 148 S HA 0.519 4.991 4.470 0.005 0.000 0.269 148 S C -1.786 172.975 174.600 0.268 0.000 1.060 148 S CA -1.280 57.049 58.200 0.214 0.000 0.844 148 S CB 0.238 63.610 63.200 0.287 0.000 1.095 148 S HN 0.302 nan 8.310 nan 0.000 0.466 149 I N 1.184 121.871 120.570 0.195 0.000 2.433 149 I HA 0.711 4.884 4.170 0.005 0.000 0.292 149 I C 0.092 176.342 176.117 0.222 0.000 1.001 149 I CA -0.867 60.563 61.300 0.217 0.000 1.119 149 I CB 1.869 39.958 38.000 0.149 0.000 1.289 149 I HN 0.966 nan 8.210 nan 0.000 0.438 150 A N 7.916 130.891 122.820 0.258 0.000 2.287 150 A HA 0.820 5.143 4.320 0.005 0.000 0.317 150 A C -0.628 177.042 177.584 0.143 0.000 1.220 150 A CA -0.442 51.721 52.037 0.211 0.000 0.835 150 A CB 0.543 19.651 19.000 0.180 0.000 1.180 150 A HN 0.646 nan 8.150 nan 0.000 0.500 151 I N 1.258 121.894 120.570 0.110 0.000 2.530 151 I HA 0.512 4.685 4.170 0.005 0.000 0.297 151 I C -0.208 175.947 176.117 0.063 0.000 1.011 151 I CA -0.445 60.895 61.300 0.067 0.000 1.107 151 I CB 2.551 40.578 38.000 0.045 0.000 1.285 151 I HN 0.498 nan 8.210 nan 0.000 0.436 152 T N 6.646 121.224 114.554 0.040 0.000 2.949 152 T HA 0.658 5.011 4.350 0.005 0.000 0.300 152 T C -0.905 173.798 174.700 0.005 0.000 0.988 152 T CA -0.441 61.676 62.100 0.027 0.000 0.993 152 T CB 1.076 69.955 68.868 0.018 0.000 0.984 152 T HN 0.350 nan 8.240 nan 0.000 0.442 153 L N 2.651 123.859 121.223 -0.026 0.000 2.409 153 L HA 0.914 5.257 4.340 0.005 0.000 0.255 153 L C -3.114 173.661 176.870 -0.158 0.000 1.027 153 L CA -2.976 51.843 54.840 -0.035 0.000 0.834 153 L CB 0.086 42.148 42.059 0.006 0.000 1.426 153 L HN 0.202 nan 8.230 nan 0.000 0.411 154 P HA 0.753 nan 4.420 nan 0.000 0.278 154 P C -0.035 177.252 177.300 -0.022 0.000 1.258 154 P CA 0.085 63.093 63.100 -0.154 0.000 0.811 154 P CB 1.459 33.140 31.700 -0.031 0.000 1.063 155 G N -0.386 108.512 108.800 0.162 0.000 2.280 155 G HA2 0.050 4.012 3.960 0.005 0.000 0.277 155 G HA3 0.050 4.012 3.960 0.005 0.000 0.277 155 G C -1.717 173.428 174.900 0.407 0.000 1.288 155 G CA -0.722 44.487 45.100 0.183 0.000 1.075 155 G HN 0.459 nan 8.290 nan 0.000 0.480 156 I N 0.664 121.409 120.570 0.291 0.000 2.382 156 I HA 0.588 4.761 4.170 0.005 0.000 0.286 156 I C -0.625 175.608 176.117 0.193 0.000 1.002 156 I CA -0.520 60.883 61.300 0.172 0.000 1.135 156 I CB 1.531 39.563 38.000 0.053 0.000 1.288 156 I HN 0.373 nan 8.210 nan 0.000 0.448 157 I N 5.517 126.187 120.570 0.167 0.000 2.466 157 I HA 0.227 4.400 4.170 0.005 0.000 0.289 157 I C -0.381 175.827 176.117 0.152 0.000 1.026 157 I CA -0.370 61.050 61.300 0.200 0.000 1.078 157 I CB 1.861 39.989 38.000 0.213 0.000 1.249 157 I HN 0.421 nan 8.210 nan 0.000 0.429 158 D N 4.329 124.858 120.400 0.215 0.000 2.422 158 D HA 0.060 4.703 4.640 0.005 0.000 0.227 158 D C 1.239 177.609 176.300 0.116 0.000 1.190 158 D CA -0.053 54.043 54.000 0.161 0.000 0.905 158 D CB 1.065 42.008 40.800 0.239 0.000 1.034 158 D HN 0.692 nan 8.370 nan 0.000 0.507 159 T N 0.760 115.373 114.554 0.100 0.000 3.085 159 T HA -0.102 4.251 4.350 0.005 0.000 0.263 159 T C 1.423 176.176 174.700 0.088 0.000 1.127 159 T CA 0.681 62.840 62.100 0.099 0.000 1.103 159 T CB 0.199 69.130 68.868 0.106 0.000 0.921 159 T HN 0.286 nan 8.240 nan 0.000 0.510 160 E N 2.272 122.518 120.200 0.077 0.000 2.015 160 E HA -0.068 4.285 4.350 0.005 0.000 0.191 160 E C 1.971 178.603 176.600 0.053 0.000 0.991 160 E CA 1.398 57.837 56.400 0.066 0.000 0.802 160 E CB -0.171 29.564 29.700 0.059 0.000 0.759 160 E HN 0.526 nan 8.360 nan 0.000 0.447 161 N N -0.689 118.041 118.700 0.049 0.000 2.336 161 N HA 0.064 4.807 4.740 0.005 0.000 0.189 161 N C 0.362 175.883 175.510 0.018 0.000 1.113 161 N CA 0.806 53.873 53.050 0.028 0.000 0.858 161 N CB 0.996 39.498 38.487 0.026 0.000 0.970 161 N HN 0.310 nan 8.380 nan 0.000 0.471 162 G N 1.835 110.657 108.800 0.036 0.000 2.273 162 G HA2 -0.272 3.691 3.960 0.005 0.000 0.280 162 G HA3 -0.272 3.691 3.960 0.005 0.000 0.280 162 G C -0.129 174.781 174.900 0.017 0.000 1.047 162 G CA -0.030 45.088 45.100 0.030 0.000 0.869 162 G HN 0.323 nan 8.290 nan 0.000 0.502 163 I N 0.122 120.704 120.570 0.021 0.000 2.331 163 I HA 0.344 4.517 4.170 0.005 0.000 0.292 163 I C 0.614 176.741 176.117 0.018 0.000 0.998 163 I CA -1.060 60.219 61.300 -0.036 0.000 1.267 163 I CB 1.843 39.756 38.000 -0.145 0.000 1.386 163 I HN -0.111 nan 8.210 nan 0.000 0.476 164 V N 6.683 126.596 119.914 -0.002 0.000 2.353 164 V HA 0.107 4.230 4.120 0.005 0.000 0.264 164 V C 1.110 177.226 176.094 0.037 0.000 1.049 164 V CA -0.229 62.107 62.300 0.060 0.000 0.896 164 V CB 0.154 31.998 31.823 0.034 0.000 1.025 164 V HN 0.739 nan 8.190 nan 0.000 0.475 165 H N 3.997 123.090 119.070 0.039 0.000 2.268 165 H HA 0.170 4.728 4.556 0.002 0.000 0.304 165 H C 0.798 176.153 175.328 0.045 0.000 1.064 165 H CA 1.021 57.089 56.048 0.032 0.000 1.316 165 H CB 0.555 30.330 29.762 0.021 0.000 1.386 165 H HN 0.415 nan 8.280 nan 0.000 0.496 169 F N -1.369 118.459 119.950 -0.203 0.000 2.717 169 F HA 0.305 4.837 4.527 0.008 0.000 0.297 169 F C 0.315 175.858 175.800 -0.430 0.000 1.113 169 F CA -0.210 57.586 58.000 -0.340 0.000 1.319 169 F CB -0.004 38.713 39.000 -0.473 0.000 1.097 169 F HN -0.140 nan 8.300 nan 0.000 0.595 170 Y N 1.686 122.034 120.300 0.080 0.000 2.802 170 Y HA 0.199 4.751 4.550 0.003 0.000 0.330 170 Y C 1.335 177.249 175.900 0.023 0.000 1.193 170 Y CA -0.905 57.225 58.100 0.050 0.000 1.427 170 Y CB -0.437 38.044 38.460 0.035 0.000 1.357 170 Y HN 0.091 nan 8.280 nan 0.000 0.501 171 E N 0.804 121.068 120.200 0.107 0.000 2.187 171 E HA -0.261 4.092 4.350 0.005 0.000 0.199 171 E C 0.853 177.509 176.600 0.093 0.000 1.004 171 E CA 1.542 57.995 56.400 0.087 0.000 0.813 171 E CB 0.185 29.925 29.700 0.067 0.000 0.736 171 E HN 0.763 nan 8.360 nan 0.000 0.468 172 D N 0.236 120.699 120.400 0.105 0.000 2.263 172 D HA -0.075 4.568 4.640 0.005 0.000 0.208 172 D C 0.343 176.682 176.300 0.066 0.000 0.971 172 D CA 0.379 54.427 54.000 0.080 0.000 0.867 172 D CB 0.093 40.942 40.800 0.081 0.000 0.929 172 D HN -0.039 nan 8.370 nan 0.000 0.492 173 V N 1.995 121.958 119.914 0.080 0.000 2.439 173 V HA 0.072 4.195 4.120 0.005 0.000 0.271 173 V C 0.411 176.533 176.094 0.047 0.000 1.040 173 V CA 0.256 62.586 62.300 0.051 0.000 1.002 173 V CB 0.457 32.313 31.823 0.055 0.000 1.000 173 V HN -0.065 nan 8.190 nan 0.000 0.477 174 K N 4.506 124.920 120.400 0.023 0.000 2.443 174 K HA 0.484 4.807 4.320 0.005 0.000 0.252 174 K C -0.401 176.185 176.600 -0.023 0.000 0.933 174 K CA -0.835 55.462 56.287 0.017 0.000 0.792 174 K CB 2.204 34.717 32.500 0.021 0.000 1.185 174 K HN 0.649 nan 8.250 nan 0.000 0.425 178 L N 0.787 121.991 121.223 -0.033 0.000 1.978 178 L HA -0.189 4.153 4.340 0.005 0.000 0.218 178 L C 2.128 178.987 176.870 -0.019 0.000 1.075 178 L CA 2.804 57.628 54.840 -0.028 0.000 0.767 178 L CB -0.718 41.327 42.059 -0.022 0.000 0.890 178 L HN 0.444 nan 8.230 nan 0.000 0.434 179 G N -1.211 107.579 108.800 -0.016 0.000 2.459 179 G HA2 -0.319 3.644 3.960 0.005 0.000 0.217 179 G HA3 -0.319 3.644 3.960 0.005 0.000 0.217 179 G C 1.443 176.329 174.900 -0.024 0.000 1.183 179 G CA 0.812 45.898 45.100 -0.023 0.000 0.776 179 G HN 0.472 nan 8.290 nan 0.000 0.552 180 E N 0.355 120.543 120.200 -0.020 0.000 2.051 180 E HA -0.077 4.276 4.350 0.005 0.000 0.192 180 E C 2.904 179.504 176.600 0.000 0.000 0.991 180 E CA 0.868 57.260 56.400 -0.014 0.000 0.799 180 E CB -0.193 29.499 29.700 -0.014 0.000 0.748 180 E HN 0.338 nan 8.360 nan 0.000 0.449 181 A N 0.720 123.539 122.820 -0.001 0.000 1.933 181 A HA -0.165 4.158 4.320 0.005 0.000 0.218 181 A C 2.128 179.737 177.584 0.043 0.000 1.175 181 A CA 1.075 53.119 52.037 0.011 0.000 0.628 181 A CB -0.519 18.473 19.000 -0.014 0.000 0.814 181 A HN 0.251 nan 8.150 nan 0.000 0.444 182 L N -0.923 120.318 121.223 0.030 0.000 2.217 182 L HA -0.104 4.239 4.340 0.005 0.000 0.211 182 L C 2.476 179.399 176.870 0.088 0.000 1.107 182 L CA 1.262 56.144 54.840 0.070 0.000 0.783 182 L CB -0.223 41.861 42.059 0.041 0.000 0.919 182 L HN 0.448 nan 8.230 nan 0.000 0.442 183 E N -0.821 119.400 120.200 0.035 0.000 2.046 183 E HA -0.249 4.104 4.350 0.005 0.000 0.190 183 E C 2.065 178.683 176.600 0.031 0.000 0.982 183 E CA 0.774 57.181 56.400 0.013 0.000 0.800 183 E CB -0.022 29.662 29.700 -0.027 0.000 0.756 183 E HN 0.421 nan 8.360 nan 0.000 0.449 184 Q N 0.067 119.890 119.800 0.039 0.000 2.062 184 Q HA -0.302 4.041 4.340 0.005 0.000 0.209 184 Q C 2.101 178.140 176.000 0.065 0.000 0.996 184 Q CA 2.093 57.921 55.803 0.042 0.000 0.859 184 Q CB -0.131 28.634 28.738 0.046 0.000 0.920 184 Q HN 0.333 nan 8.270 nan 0.000 0.415 185 H N -1.010 118.066 119.070 0.009 0.000 2.307 185 H HA -0.056 4.503 4.556 0.005 0.000 0.303 185 H C 2.014 177.360 175.328 0.030 0.000 1.073 185 H CA 2.298 58.359 56.048 0.022 0.000 1.338 185 H CB -0.086 29.696 29.762 0.033 0.000 1.389 185 H HN 0.406 nan 8.280 nan 0.000 0.503 186 T N -3.248 111.361 114.554 0.092 0.000 3.081 186 T HA 0.144 4.497 4.350 0.005 0.000 0.255 186 T C 1.682 176.364 174.700 -0.030 0.000 1.113 186 T CA 0.546 62.663 62.100 0.029 0.000 1.082 186 T CB -0.350 68.599 68.868 0.135 0.000 0.939 186 T HN 0.610 nan 8.240 nan 0.000 0.506 187 G N 0.473 109.261 108.800 -0.019 0.000 2.225 187 G HA2 -0.164 3.799 3.960 0.005 0.000 0.267 187 G HA3 -0.164 3.799 3.960 0.005 0.000 0.267 187 G C -0.023 174.872 174.900 -0.008 0.000 1.024 187 G CA 0.284 45.371 45.100 -0.021 0.000 0.784 187 G HN 0.821 nan 8.290 nan 0.000 0.507 188 V N 0.022 119.937 119.914 0.002 0.000 2.925 188 V HA 0.629 4.751 4.120 0.005 0.000 0.311 188 V C -2.172 173.900 176.094 -0.037 0.000 1.104 188 V CA -1.921 60.383 62.300 0.007 0.000 0.954 188 V CB 2.588 34.436 31.823 0.043 0.000 1.022 188 V HN 0.045 nan 8.190 nan 0.000 0.427 189 P HA 0.059 nan 4.420 nan 0.000 0.262 189 P C -0.941 176.126 177.300 -0.388 0.000 1.182 189 P CA 0.312 63.251 63.100 -0.269 0.000 0.761 189 P CB 0.262 31.779 31.700 -0.307 0.000 0.795 190 V N 5.660 125.330 119.914 -0.407 0.000 2.350 190 V HA 0.227 4.350 4.120 0.005 0.000 0.276 190 V C -0.340 175.478 176.094 -0.460 0.000 1.028 190 V CA -0.383 61.725 62.300 -0.320 0.000 0.860 190 V CB -0.044 31.711 31.823 -0.114 0.000 0.990 190 V HN 0.399 nan 8.190 nan 0.000 0.453 191 Y N 5.245 125.560 120.300 0.024 0.000 2.385 191 Y HA 0.604 5.156 4.550 0.004 0.000 0.341 191 Y C 0.248 176.163 175.900 0.025 0.000 0.965 191 Y CA -0.438 57.669 58.100 0.013 0.000 1.180 191 Y CB 1.159 39.611 38.460 -0.015 0.000 1.139 191 Y HN 0.454 nan 8.280 nan 0.000 0.502 192 I N 3.556 124.216 120.570 0.150 0.000 2.474 192 I HA 0.395 4.568 4.170 0.005 0.000 0.294 192 I C -0.623 175.569 176.117 0.124 0.000 1.005 192 I CA -0.788 60.577 61.300 0.109 0.000 1.113 192 I CB 2.071 40.114 38.000 0.072 0.000 1.289 192 I HN 0.532 nan 8.210 nan 0.000 0.436 193 Q N 3.527 123.397 119.800 0.118 0.000 2.462 193 Q HA 0.353 4.695 4.340 0.005 0.000 0.285 193 Q C -1.058 175.032 176.000 0.151 0.000 1.035 193 Q CA -0.746 55.140 55.803 0.139 0.000 0.799 193 Q CB 1.734 30.549 28.738 0.127 0.000 1.452 193 Q HN 0.576 nan 8.270 nan 0.000 0.404 194 H N 0.974 120.105 119.070 0.102 0.000 2.679 194 H HA 0.107 4.666 4.556 0.005 0.000 0.369 194 H C 0.213 175.621 175.328 0.134 0.000 1.178 194 H CA 0.640 56.757 56.048 0.115 0.000 1.419 194 H CB 0.976 30.807 29.762 0.115 0.000 1.458 194 H HN 0.702 nan 8.280 nan 0.000 0.605 195 D N 3.043 123.269 120.400 -0.290 0.000 2.123 195 D HA -0.173 4.470 4.640 0.005 0.000 0.196 195 D C 2.136 178.607 176.300 0.285 0.000 0.992 195 D CA 1.622 55.627 54.000 0.008 0.000 0.833 195 D CB 0.072 40.865 40.800 -0.010 0.000 0.954 195 D HN 0.572 nan 8.370 nan 0.000 0.455 196 I N 1.053 121.927 120.570 0.507 0.000 2.353 196 I HA -0.208 3.965 4.170 0.005 0.000 0.248 196 I C 2.498 178.806 176.117 0.317 0.000 1.119 196 I CA 0.917 62.484 61.300 0.445 0.000 1.417 196 I CB -0.126 38.105 38.000 0.384 0.000 1.078 196 I HN -0.007 nan 8.210 nan 0.000 0.421 197 S N 1.284 117.167 115.700 0.306 0.000 2.371 197 S HA -0.056 4.417 4.470 0.005 0.000 0.224 197 S C 2.291 177.009 174.600 0.198 0.000 1.029 197 S CA 0.661 58.977 58.200 0.194 0.000 0.978 197 S CB -0.532 62.761 63.200 0.155 0.000 0.833 197 S HN 0.355 nan 8.310 nan 0.000 0.466 198 A N 1.491 124.443 122.820 0.219 0.000 1.917 198 A HA -0.137 4.186 4.320 0.005 0.000 0.219 198 A C 1.956 179.707 177.584 0.277 0.000 1.182 198 A CA 1.688 53.840 52.037 0.193 0.000 0.633 198 A CB -1.397 17.694 19.000 0.152 0.000 0.819 198 A HN 0.789 nan 8.150 nan 0.000 0.448 199 W N 1.507 122.872 121.300 0.107 0.000 2.418 199 W HA 0.009 4.672 4.660 0.004 0.000 0.292 199 W C 0.802 177.397 176.519 0.126 0.000 1.213 199 W CA 1.435 58.858 57.345 0.129 0.000 1.283 199 W CB -1.201 28.333 29.460 0.123 0.000 1.119 199 W HN 0.190 nan 8.180 nan 0.000 0.542 203 E N 0.920 121.384 120.200 0.439 0.000 2.107 203 E HA 0.004 4.356 4.350 0.005 0.000 0.191 203 E C 2.224 178.903 176.600 0.132 0.000 0.982 203 E CA 1.218 57.793 56.400 0.292 0.000 0.809 203 E CB -0.326 29.461 29.700 0.144 0.000 0.756 203 E HN 0.651 nan 8.360 nan 0.000 0.459 204 A N 1.407 124.270 122.820 0.072 0.000 1.865 204 A HA -0.162 4.161 4.320 0.005 0.000 0.217 204 A C 2.374 179.932 177.584 -0.044 0.000 1.191 204 A CA 1.273 53.311 52.037 0.002 0.000 0.623 204 A CB -0.773 18.221 19.000 -0.011 0.000 0.826 204 A HN 0.157 nan 8.150 nan 0.000 0.444 205 L N -2.540 118.579 121.223 -0.175 0.000 2.044 205 L HA -0.052 4.291 4.340 0.005 0.000 0.205 205 L C 2.143 178.835 176.870 -0.296 0.000 1.075 205 L CA 1.377 55.969 54.840 -0.414 0.000 0.747 205 L CB -0.302 41.157 42.059 -1.001 0.000 0.903 205 L HN 0.495 nan 8.230 nan 0.000 0.435 206 F N -1.723 118.378 119.950 0.253 0.000 2.727 206 F HA 0.316 4.845 4.527 0.004 0.000 0.302 206 F C 1.514 177.537 175.800 0.372 0.000 1.107 206 F CA -0.100 58.096 58.000 0.325 0.000 1.277 206 F CB -0.100 39.116 39.000 0.361 0.000 1.079 206 F HN -0.059 nan 8.300 nan 0.000 0.594 207 G N -0.062 108.976 108.800 0.397 0.000 3.019 207 G HA2 0.465 4.428 3.960 0.005 0.000 0.152 207 G HA3 0.465 4.428 3.960 0.005 0.000 0.152 207 G C 0.964 175.821 174.900 -0.072 0.000 1.320 207 G CA 0.096 45.175 45.100 -0.034 0.000 1.013 207 G HN 0.072 nan 8.290 nan 0.000 0.593 208 A N -0.625 122.101 122.820 -0.157 0.000 2.206 208 A HA 0.259 4.581 4.320 0.005 0.000 0.211 208 A C 1.914 179.462 177.584 -0.061 0.000 1.158 208 A CA 1.907 53.879 52.037 -0.109 0.000 0.761 208 A CB -0.357 18.567 19.000 -0.126 0.000 0.801 208 A HN 1.140 nan 8.150 nan 0.000 0.473 209 S N -1.327 114.349 115.700 -0.040 0.000 2.749 209 S HA 0.310 4.783 4.470 0.005 0.000 0.246 209 S C 0.346 174.935 174.600 -0.018 0.000 1.023 209 S CA -0.626 57.553 58.200 -0.035 0.000 1.012 209 S CB -0.117 63.055 63.200 -0.046 0.000 0.942 209 S HN 0.443 nan 8.310 nan 0.000 0.531 210 R N 1.422 121.921 120.500 -0.001 0.000 2.583 210 R HA 0.335 4.677 4.340 0.005 0.000 0.274 210 R C 1.278 177.575 176.300 -0.005 0.000 0.998 210 R CA 1.054 57.157 56.100 0.005 0.000 1.081 210 R CB -0.204 30.113 30.300 0.029 0.000 0.940 210 R HN 0.571 nan 8.270 nan 0.000 0.413 211 G N 1.401 110.195 108.800 -0.009 0.000 2.341 211 G HA2 -0.293 3.669 3.960 0.005 0.000 0.292 211 G HA3 -0.293 3.669 3.960 0.005 0.000 0.292 211 G C -0.093 174.792 174.900 -0.024 0.000 1.021 211 G CA 0.420 45.511 45.100 -0.016 0.000 0.905 211 G HN 0.790 nan 8.290 nan 0.000 0.508 212 A N -0.814 121.988 122.820 -0.030 0.000 2.324 212 A HA 0.861 5.184 4.320 0.005 0.000 0.330 212 A C 1.196 178.750 177.584 -0.051 0.000 1.165 212 A CA -0.519 51.494 52.037 -0.040 0.000 0.813 212 A CB 0.922 19.896 19.000 -0.044 0.000 1.197 212 A HN 0.144 nan 8.150 nan 0.000 0.484 213 R N 0.584 121.048 120.500 -0.059 0.000 2.105 213 R HA 0.121 4.464 4.340 0.005 0.000 0.214 213 R C -0.755 175.499 176.300 -0.077 0.000 1.091 213 R CA 0.955 57.011 56.100 -0.074 0.000 1.007 213 R CB 0.211 30.465 30.300 -0.075 0.000 0.912 213 R HN 0.762 nan 8.270 nan 0.000 0.450 214 D N 0.858 121.213 120.400 -0.075 0.000 2.421 214 D HA 0.261 4.904 4.640 0.005 0.000 0.254 214 D C -1.001 175.244 176.300 -0.091 0.000 1.238 214 D CA -0.116 53.834 54.000 -0.083 0.000 0.919 214 D CB 2.383 43.139 40.800 -0.074 0.000 1.152 214 D HN -0.254 nan 8.370 nan 0.000 0.552 215 V N 2.605 122.449 119.914 -0.116 0.000 2.823 215 V HA 0.537 4.659 4.120 0.005 0.000 0.312 215 V C -0.061 175.929 176.094 -0.173 0.000 1.072 215 V CA -0.717 61.509 62.300 -0.124 0.000 0.937 215 V CB 2.802 34.559 31.823 -0.110 0.000 1.013 215 V HN 0.373 nan 8.190 nan 0.000 0.430 216 I N 3.217 123.690 120.570 -0.162 0.000 2.418 216 I HA 0.450 4.623 4.170 0.005 0.000 0.287 216 I C -0.353 175.658 176.117 -0.176 0.000 1.008 216 I CA -0.360 60.827 61.300 -0.188 0.000 1.104 216 I CB 1.834 39.742 38.000 -0.153 0.000 1.264 216 I HN 0.661 nan 8.210 nan 0.000 0.438 217 Q N 6.133 125.819 119.800 -0.189 0.000 2.314 217 Q HA 0.542 4.885 4.340 0.005 0.000 0.259 217 Q C -1.668 174.203 176.000 -0.216 0.000 0.951 217 Q CA -0.530 55.139 55.803 -0.224 0.000 0.909 217 Q CB 1.795 30.382 28.738 -0.251 0.000 1.236 217 Q HN 0.508 nan 8.270 nan 0.000 0.444 218 V N 4.524 124.303 119.914 -0.225 0.000 2.532 218 V HA 0.481 4.604 4.120 0.005 0.000 0.295 218 V C -0.530 175.430 176.094 -0.224 0.000 1.041 218 V CA -0.632 61.562 62.300 -0.177 0.000 0.926 218 V CB 1.892 33.634 31.823 -0.134 0.000 0.992 218 V HN 0.648 nan 8.190 nan 0.000 0.457 219 V N 6.163 125.989 119.914 -0.148 0.000 2.531 219 V HA 0.529 4.652 4.120 0.005 0.000 0.301 219 V C -0.482 175.611 176.094 -0.001 0.000 1.034 219 V CA -0.373 61.847 62.300 -0.134 0.000 0.865 219 V CB 1.805 33.572 31.823 -0.093 0.000 0.995 219 V HN 0.685 nan 8.190 nan 0.000 0.424 220 I N 4.423 125.012 120.570 0.031 0.000 2.420 220 I HA 0.624 4.797 4.170 0.005 0.000 0.282 220 I C -0.449 175.723 176.117 0.091 0.000 1.019 220 I CA 0.043 61.379 61.300 0.060 0.000 1.130 220 I CB 1.477 39.505 38.000 0.047 0.000 1.262 220 I HN 0.540 nan 8.210 nan 0.000 0.454 221 D N 1.214 121.668 120.400 0.090 0.000 3.236 221 D HA 0.253 4.896 4.640 0.005 0.000 0.325 221 D C 0.980 177.279 176.300 -0.002 0.000 1.352 221 D CA -0.408 53.635 54.000 0.072 0.000 0.979 221 D CB 0.946 41.886 40.800 0.234 0.000 1.410 221 D HN 0.340 nan 8.370 nan 0.000 0.588 222 H N -0.226 118.951 119.070 0.178 0.000 2.456 222 H HA 0.045 4.603 4.556 0.004 0.000 0.296 222 H C 0.065 175.519 175.328 0.210 0.000 1.079 222 H CA 0.873 57.047 56.048 0.210 0.000 1.322 222 H CB 0.090 29.999 29.762 0.246 0.000 1.388 222 H HN 0.104 nan 8.280 nan 0.000 0.538 223 N N 0.798 119.676 118.700 0.297 0.000 2.430 223 N HA 0.258 5.001 4.740 0.005 0.000 0.298 223 N C -0.585 175.024 175.510 0.165 0.000 1.130 223 N CA -0.386 52.814 53.050 0.249 0.000 0.894 223 N CB 3.028 41.712 38.487 0.327 0.000 1.209 223 N HN -0.179 nan 8.380 nan 0.000 0.503 224 V N 0.228 120.199 119.914 0.095 0.000 2.495 224 V HA 0.860 4.983 4.120 0.005 0.000 0.298 224 V C 0.580 176.678 176.094 0.008 0.000 1.031 224 V CA -0.315 62.006 62.300 0.035 0.000 0.871 224 V CB 1.121 32.935 31.823 -0.016 0.000 0.988 224 V HN 0.971 nan 8.190 nan 0.000 0.432 225 G N 2.947 111.752 108.800 0.009 0.000 2.325 225 G HA2 0.792 4.755 3.960 0.005 0.000 0.295 225 G HA3 0.792 4.755 3.960 0.005 0.000 0.295 225 G C -1.529 173.352 174.900 -0.030 0.000 1.274 225 G CA 0.138 45.229 45.100 -0.016 0.000 0.857 225 G HN 1.274 nan 8.290 nan 0.000 0.499 226 A N -1.556 121.239 122.820 -0.041 0.000 2.594 226 A HA 0.945 5.268 4.320 0.005 0.000 0.295 226 A C -0.100 177.445 177.584 -0.065 0.000 1.071 226 A CA 0.257 52.252 52.037 -0.071 0.000 0.685 226 A CB 1.578 20.534 19.000 -0.074 0.000 1.285 226 A HN 2.193 nan 8.150 nan 0.000 0.405 227 G N -0.456 108.290 108.800 -0.091 0.000 2.432 227 G HA2 0.617 4.580 3.960 0.005 0.000 0.331 227 G HA3 0.617 4.580 3.960 0.005 0.000 0.331 227 G C -1.250 173.552 174.900 -0.164 0.000 1.170 227 G CA -0.586 44.465 45.100 -0.082 0.000 0.943 227 G HN 1.071 nan 8.290 nan 0.000 0.483 228 V N 1.325 121.116 119.914 -0.206 0.000 2.656 228 V HA 0.484 4.607 4.120 0.005 0.000 0.307 228 V C -0.452 175.488 176.094 -0.257 0.000 1.051 228 V CA -0.585 61.498 62.300 -0.361 0.000 0.893 228 V CB 1.841 33.225 31.823 -0.731 0.000 0.999 228 V HN 0.628 nan 8.190 nan 0.000 0.426 229 I N 3.695 124.128 120.570 -0.228 0.000 2.389 229 I HA 0.549 4.722 4.170 0.005 0.000 0.288 229 I C -0.148 175.882 176.117 -0.145 0.000 0.999 229 I CA -0.095 61.122 61.300 -0.138 0.000 1.129 229 I CB 2.070 40.017 38.000 -0.087 0.000 1.288 229 I HN 0.649 nan 8.210 nan 0.000 0.444 230 T N 1.458 115.955 114.554 -0.096 0.000 2.863 230 T HA 0.285 4.638 4.350 0.005 0.000 0.285 230 T C -0.273 174.392 174.700 -0.058 0.000 1.009 230 T CA -0.747 61.322 62.100 -0.052 0.000 0.989 230 T CB 1.565 70.447 68.868 0.023 0.000 1.004 230 T HN 0.584 nan 8.240 nan 0.000 0.455 231 D N 1.277 121.631 120.400 -0.076 0.000 2.733 231 D HA -0.200 4.443 4.640 0.005 0.000 0.232 231 D C 1.396 177.554 176.300 -0.238 0.000 1.161 231 D CA 2.025 55.947 54.000 -0.130 0.000 0.653 231 D CB -1.472 39.258 40.800 -0.117 0.000 1.052 231 D HN 1.387 nan 8.370 nan 0.000 0.424 232 G N -0.987 107.711 108.800 -0.170 0.000 2.184 232 G HA2 -0.330 3.632 3.960 0.005 0.000 0.264 232 G HA3 -0.330 3.632 3.960 0.005 0.000 0.264 232 G C 0.039 174.906 174.900 -0.056 0.000 0.975 232 G CA 0.480 45.478 45.100 -0.169 0.000 0.642 232 G HN 0.632 nan 8.290 nan 0.000 0.536 233 H N -1.060 117.981 119.070 -0.048 0.000 2.538 233 H HA 0.559 5.118 4.556 0.005 0.000 0.353 233 H C 0.021 175.310 175.328 -0.065 0.000 1.109 233 H CA -1.437 54.583 56.048 -0.047 0.000 1.192 233 H CB 1.550 31.288 29.762 -0.039 0.000 1.555 233 H HN 0.199 nan 8.280 nan 0.000 0.518 234 L N 4.011 125.273 121.223 0.065 0.000 2.530 234 L HA 0.064 4.407 4.340 0.005 0.000 0.273 234 L C -0.290 176.564 176.870 -0.027 0.000 1.141 234 L CA -0.200 54.638 54.840 -0.003 0.000 0.905 234 L CB -0.559 41.499 42.059 -0.001 0.000 1.202 234 L HN 0.472 nan 8.230 nan 0.000 0.473 235 L N 7.128 128.304 121.223 -0.079 0.000 2.578 235 L HA 0.015 4.358 4.340 0.005 0.000 0.279 235 L C 0.993 177.812 176.870 -0.085 0.000 1.227 235 L CA 1.010 55.750 54.840 -0.166 0.000 0.900 235 L CB -0.339 41.585 42.059 -0.225 0.000 1.144 235 L HN 0.850 nan 8.230 nan 0.000 0.496 236 H N 0.974 120.049 119.070 0.009 0.000 3.898 236 H HA -0.203 4.356 4.556 0.006 0.000 0.171 236 H C 0.853 176.183 175.328 0.004 0.000 0.920 236 H CA 0.709 56.762 56.048 0.009 0.000 1.238 236 H CB -1.862 27.904 29.762 0.008 0.000 0.997 236 H HN 0.846 nan 8.280 nan 0.000 0.380 237 A N 1.211 124.070 122.820 0.066 0.000 2.600 237 A HA 0.275 4.598 4.320 0.005 0.000 0.253 237 A C 1.771 179.376 177.584 0.034 0.000 0.997 237 A CA 2.007 54.063 52.037 0.031 0.000 0.820 237 A CB -0.543 18.442 19.000 -0.027 0.000 0.888 237 A HN 1.444 nan 8.150 nan 0.000 0.508 238 G N 1.911 110.738 108.800 0.047 0.000 2.283 238 G HA2 -0.071 3.892 3.960 0.005 0.000 0.280 238 G HA3 -0.071 3.892 3.960 0.005 0.000 0.280 238 G C 0.450 175.385 174.900 0.057 0.000 1.029 238 G CA 1.268 46.397 45.100 0.048 0.000 0.840 238 G HN 2.382 nan 8.290 nan 0.000 0.505 239 S N -1.735 114.012 115.700 0.078 0.000 2.766 239 S HA 0.778 5.251 4.470 0.005 0.000 0.307 239 S C 1.224 175.863 174.600 0.066 0.000 1.121 239 S CA 0.605 58.852 58.200 0.079 0.000 0.980 239 S CB 1.799 65.070 63.200 0.119 0.000 1.159 239 S HN 1.351 nan 8.310 nan 0.000 0.546 240 S N 0.219 115.950 115.700 0.053 0.000 2.660 240 S HA 0.330 4.803 4.470 0.005 0.000 0.227 240 S C 0.373 174.970 174.600 -0.006 0.000 0.948 240 S CA -0.041 58.186 58.200 0.045 0.000 0.948 240 S CB -1.111 62.126 63.200 0.061 0.000 0.779 240 S HN 1.174 nan 8.310 nan 0.000 0.487 241 S N 0.564 116.232 115.700 -0.052 0.000 2.548 241 S HA 0.812 5.285 4.470 0.005 0.000 0.286 241 S C -0.808 173.612 174.600 -0.300 0.000 1.098 241 S CA -0.896 57.196 58.200 -0.180 0.000 0.930 241 S CB 1.415 64.485 63.200 -0.216 0.000 1.070 241 S HN 0.311 nan 8.310 nan 0.000 0.480 242 L N 1.469 122.505 121.223 -0.312 0.000 2.286 242 L HA 0.626 4.969 4.340 0.005 0.000 0.265 242 L C -0.477 176.202 176.870 -0.319 0.000 1.012 242 L CA -1.514 53.163 54.840 -0.272 0.000 0.818 242 L CB 1.813 43.788 42.059 -0.139 0.000 1.337 242 L HN 0.533 nan 8.230 nan 0.000 0.438 243 V N 0.847 120.687 119.914 -0.123 0.000 2.521 243 V HA 0.033 4.156 4.120 0.005 0.000 0.286 243 V C 0.081 176.133 176.094 -0.069 0.000 1.034 243 V CA 0.352 62.632 62.300 -0.032 0.000 1.045 243 V CB 0.928 32.778 31.823 0.044 0.000 0.974 243 V HN 0.693 nan 8.190 nan 0.000 0.480 244 E N 3.181 123.359 120.200 -0.037 0.000 3.858 244 E HA 0.275 4.627 4.350 0.005 0.000 0.208 244 E C 0.949 177.566 176.600 0.028 0.000 1.041 244 E CA -0.192 56.211 56.400 0.005 0.000 1.368 244 E CB 0.156 29.858 29.700 0.003 0.000 1.176 244 E HN 0.734 nan 8.360 nan 0.000 0.448 245 I N -3.072 117.494 120.570 -0.007 0.000 2.756 245 I HA 0.102 4.275 4.170 0.005 0.000 0.262 245 I C 1.805 177.875 176.117 -0.077 0.000 1.225 245 I CA 1.211 62.500 61.300 -0.018 0.000 1.472 245 I CB 0.043 38.042 38.000 -0.002 0.000 1.094 245 I HN 0.210 nan 8.210 nan 0.000 0.454 246 G N 0.464 109.167 108.800 -0.162 0.000 2.471 246 G HA2 -0.120 3.843 3.960 0.005 0.000 0.219 246 G HA3 -0.120 3.843 3.960 0.005 0.000 0.219 246 G C 1.124 175.733 174.900 -0.485 0.000 1.125 246 G CA 0.349 45.259 45.100 -0.318 0.000 0.775 246 G HN 0.605 nan 8.290 nan 0.000 0.548 247 H N 0.229 119.250 119.070 -0.082 0.000 2.550 247 H HA 0.154 4.714 4.556 0.006 0.000 0.304 247 H C 0.472 175.737 175.328 -0.105 0.000 1.086 247 H CA 0.286 56.261 56.048 -0.121 0.000 1.089 247 H CB -0.046 29.622 29.762 -0.158 0.000 1.528 247 H HN 0.229 nan 8.280 nan 0.000 0.539 248 T N -0.468 114.068 114.554 -0.031 0.000 2.743 248 T HA 0.089 4.441 4.350 0.005 0.000 0.293 248 T C 0.148 174.814 174.700 -0.057 0.000 0.945 248 T CA -0.769 61.310 62.100 -0.034 0.000 1.030 248 T CB 1.573 70.428 68.868 -0.021 0.000 0.912 248 T HN 0.357 nan 8.240 nan 0.000 0.483 249 Q N 3.459 123.213 119.800 -0.076 0.000 2.274 249 Q HA 0.216 4.558 4.340 0.005 0.000 0.280 249 Q C 0.816 176.778 176.000 -0.063 0.000 1.047 249 Q CA -0.101 55.641 55.803 -0.101 0.000 0.907 249 Q CB 0.925 29.566 28.738 -0.162 0.000 1.171 249 Q HN 0.812 nan 8.270 nan 0.000 0.381 250 V N 1.063 120.946 119.914 -0.052 0.000 3.570 250 V HA 0.247 4.370 4.120 0.005 0.000 0.257 250 V C -0.242 175.857 176.094 0.009 0.000 1.272 250 V CA 0.691 62.985 62.300 -0.011 0.000 1.079 250 V CB 1.061 32.887 31.823 0.005 0.000 0.829 250 V HN 0.760 nan 8.190 nan 0.000 0.454 251 D N 1.620 122.018 120.400 -0.003 0.000 2.462 251 D HA 0.448 5.091 4.640 0.005 0.000 0.245 251 D C -1.734 174.584 176.300 0.029 0.000 1.122 251 D CA -2.299 51.729 54.000 0.048 0.000 0.864 251 D CB 2.114 42.960 40.800 0.077 0.000 1.098 251 D HN 0.166 nan 8.370 nan 0.000 0.541 252 P HA -0.125 nan 4.420 nan 0.000 0.226 252 P C 0.267 177.401 177.300 -0.277 0.000 1.146 252 P CA 0.938 63.925 63.100 -0.189 0.000 0.773 252 P CB 0.048 31.562 31.700 -0.309 0.000 0.772 253 Y N -1.174 119.217 120.300 0.152 0.000 2.557 253 Y HA 0.385 4.941 4.550 0.010 0.000 0.247 253 Y C 1.920 177.871 175.900 0.086 0.000 1.164 253 Y CA -0.515 57.642 58.100 0.096 0.000 1.218 253 Y CB 0.102 38.589 38.460 0.045 0.000 1.210 253 Y HN -0.097 nan 8.280 nan 0.000 0.529 254 G N 1.369 110.307 108.800 0.230 0.000 2.631 254 G HA2 0.172 4.135 3.960 0.005 0.000 0.271 254 G HA3 0.172 4.135 3.960 0.005 0.000 0.271 254 G C -0.264 174.717 174.900 0.135 0.000 1.302 254 G CA -0.754 44.438 45.100 0.154 0.000 1.002 254 G HN 0.231 nan 8.290 nan 0.000 0.519 255 K N -0.356 120.102 120.400 0.097 0.000 2.202 255 K HA 0.284 4.607 4.320 0.005 0.000 0.264 255 K C 0.257 176.919 176.600 0.102 0.000 1.010 255 K CA -0.647 55.687 56.287 0.079 0.000 0.940 255 K CB 1.212 33.751 32.500 0.065 0.000 0.983 255 K HN 0.423 nan 8.250 nan 0.000 0.475 256 R N 0.997 121.548 120.500 0.085 0.000 2.522 256 R HA -0.017 4.326 4.340 0.005 0.000 0.284 256 R C -0.570 175.774 176.300 0.073 0.000 1.032 256 R CA -0.119 56.036 56.100 0.092 0.000 1.049 256 R CB 0.314 30.651 30.300 0.062 0.000 0.956 256 R HN 0.767 nan 8.270 nan 0.000 0.422 257 C N 5.418 124.742 119.300 0.040 0.000 2.365 257 C HA 0.338 4.801 4.460 0.005 0.000 0.349 257 C C 1.564 176.513 174.990 -0.068 0.000 1.191 257 C CA -0.875 58.126 59.018 -0.028 0.000 2.114 257 C CB 0.285 27.966 27.740 -0.099 0.000 2.367 257 C HN 0.980 nan 8.230 nan 0.000 0.530 258 Y N 2.508 122.823 120.300 0.025 0.000 2.421 258 Y HA 0.004 4.559 4.550 0.007 0.000 0.292 258 Y C 2.204 178.086 175.900 -0.031 0.000 1.136 258 Y CA 1.293 59.389 58.100 -0.007 0.000 1.255 258 Y CB -1.549 36.890 38.460 -0.036 0.000 0.991 258 Y HN 0.743 nan 8.280 nan 0.000 0.552 259 C N 0.132 119.021 119.300 -0.686 0.000 2.419 259 C HA 0.411 4.874 4.460 0.005 0.000 0.283 259 C C 2.281 177.139 174.990 -0.220 0.000 1.373 259 C CA 0.399 59.114 59.018 -0.505 0.000 1.781 259 C CB -0.990 26.259 27.740 -0.819 0.000 1.886 259 C HN 0.996 nan 8.230 nan 0.000 0.520 260 G N 0.418 109.136 108.800 -0.138 0.000 2.184 260 G HA2 -0.164 3.799 3.960 0.005 0.000 0.206 260 G HA3 -0.164 3.799 3.960 0.005 0.000 0.206 260 G C -0.148 174.732 174.900 -0.033 0.000 0.995 260 G CA 0.244 45.313 45.100 -0.052 0.000 0.651 260 G HN 0.627 nan 8.290 nan 0.000 0.511 261 N N 0.573 119.229 118.700 -0.072 0.000 2.643 261 N HA 0.686 5.429 4.740 0.005 0.000 0.305 261 N C -0.046 175.466 175.510 0.004 0.000 1.283 261 N CA 0.081 53.087 53.050 -0.073 0.000 0.946 261 N CB 1.058 39.450 38.487 -0.158 0.000 1.149 261 N HN 0.647 nan 8.380 nan 0.000 0.600 262 H N -3.696 115.344 119.070 -0.050 0.000 2.865 262 H HA 0.564 5.117 4.556 -0.005 0.000 0.372 262 H C 0.520 175.823 175.328 -0.042 0.000 1.173 262 H CA -0.521 55.505 56.048 -0.038 0.000 1.147 262 H CB 1.128 30.871 29.762 -0.030 0.000 1.805 262 H HN 0.665 nan 8.280 nan 0.000 0.553 263 G N -0.141 108.691 108.800 0.053 0.000 2.148 263 G HA2 -0.329 3.634 3.960 0.005 0.000 0.254 263 G HA3 -0.329 3.634 3.960 0.005 0.000 0.254 263 G C 0.195 175.059 174.900 -0.060 0.000 0.981 263 G CA -0.054 45.049 45.100 0.005 0.000 0.670 263 G HN 0.862 nan 8.290 nan 0.000 0.528 264 C N 0.341 119.599 119.300 -0.070 0.000 2.665 264 C HA 0.223 4.686 4.460 0.005 0.000 0.416 264 C C 2.439 177.366 174.990 -0.106 0.000 1.305 264 C CA 0.210 59.175 59.018 -0.090 0.000 1.903 264 C CB -0.013 27.677 27.740 -0.082 0.000 2.704 264 C HN 0.550 nan 8.230 nan 0.000 0.629 265 L N 1.228 122.379 121.223 -0.120 0.000 2.034 265 L HA -0.242 4.101 4.340 0.005 0.000 0.217 265 L C 2.632 179.426 176.870 -0.126 0.000 1.077 265 L CA 2.174 56.938 54.840 -0.127 0.000 0.769 265 L CB -0.490 41.507 42.059 -0.102 0.000 0.890 265 L HN 0.896 nan 8.230 nan 0.000 0.435 266 E N -1.101 119.006 120.200 -0.155 0.000 2.110 266 E HA -0.231 4.121 4.350 0.005 0.000 0.193 266 E C 1.853 178.434 176.600 -0.031 0.000 0.988 266 E CA 1.629 57.968 56.400 -0.101 0.000 0.804 266 E CB 0.073 29.674 29.700 -0.165 0.000 0.745 266 E HN 0.420 nan 8.360 nan 0.000 0.458 267 T N 0.128 114.659 114.554 -0.038 0.000 2.822 267 T HA -0.146 4.207 4.350 0.005 0.000 0.270 267 T C 1.477 176.167 174.700 -0.018 0.000 1.064 267 T CA 1.142 63.240 62.100 -0.004 0.000 1.131 267 T CB -0.033 68.832 68.868 -0.005 0.000 0.858 267 T HN 0.143 nan 8.240 nan 0.000 0.483 268 I N -0.719 119.808 120.570 -0.071 0.000 3.883 268 I HA 0.317 4.490 4.170 0.005 0.000 0.305 268 I C 2.010 178.073 176.117 -0.091 0.000 1.247 268 I CA 0.319 61.553 61.300 -0.111 0.000 1.350 268 I CB 0.245 38.087 38.000 -0.263 0.000 1.194 268 I HN 0.085 nan 8.210 nan 0.000 0.441 269 A N -0.407 122.369 122.820 -0.072 0.000 2.419 269 A HA 0.280 4.603 4.320 0.005 0.000 0.233 269 A C 1.131 178.722 177.584 0.011 0.000 1.217 269 A CA 0.220 52.240 52.037 -0.027 0.000 0.944 269 A CB -0.304 18.681 19.000 -0.025 0.000 1.025 269 A HN 0.296 nan 8.150 nan 0.000 0.524 270 S N -0.355 115.359 115.700 0.023 0.000 2.566 270 S HA 0.175 4.648 4.470 0.005 0.000 0.280 270 S C 1.215 175.841 174.600 0.042 0.000 1.343 270 S CA 0.158 58.392 58.200 0.056 0.000 1.036 270 S CB 0.809 64.072 63.200 0.104 0.000 0.866 270 S HN 0.336 nan 8.310 nan 0.000 0.526 271 V N 2.100 122.021 119.914 0.011 0.000 2.469 271 V HA -0.170 3.953 4.120 0.005 0.000 0.251 271 V C 2.006 178.108 176.094 0.013 0.000 1.064 271 V CA 2.440 64.723 62.300 -0.028 0.000 1.066 271 V CB -1.169 30.566 31.823 -0.146 0.000 0.667 271 V HN 0.897 nan 8.190 nan 0.000 0.461 272 D N -0.027 120.415 120.400 0.071 0.000 2.183 272 D HA -0.106 4.537 4.640 0.005 0.000 0.203 272 D C 2.328 178.681 176.300 0.088 0.000 0.969 272 D CA 1.440 55.509 54.000 0.114 0.000 0.842 272 D CB -0.171 40.756 40.800 0.212 0.000 0.957 272 D HN 0.582 nan 8.370 nan 0.000 0.484 273 S N 0.041 115.789 115.700 0.079 0.000 2.395 273 S HA -0.020 4.453 4.470 0.005 0.000 0.225 273 S C 2.102 176.726 174.600 0.040 0.000 1.027 273 S CA 0.158 58.393 58.200 0.059 0.000 0.965 273 S CB -0.449 62.781 63.200 0.050 0.000 0.812 273 S HN 0.209 nan 8.310 nan 0.000 0.482 274 I N 1.893 122.483 120.570 0.034 0.000 2.151 274 I HA -0.186 3.986 4.170 0.005 0.000 0.243 274 I C 2.339 178.472 176.117 0.026 0.000 1.080 274 I CA 1.393 62.711 61.300 0.030 0.000 1.339 274 I CB -0.480 37.536 38.000 0.027 0.000 1.039 274 I HN 0.257 nan 8.210 nan 0.000 0.409 275 L N -0.055 121.185 121.223 0.028 0.000 2.156 275 L HA -0.135 4.208 4.340 0.005 0.000 0.208 275 L C 2.435 179.319 176.870 0.024 0.000 1.095 275 L CA 1.100 55.953 54.840 0.022 0.000 0.770 275 L CB -0.492 41.582 42.059 0.025 0.000 0.914 275 L HN 0.269 nan 8.230 nan 0.000 0.439 276 E N 0.171 120.391 120.200 0.034 0.000 2.051 276 E HA -0.258 4.095 4.350 0.005 0.000 0.192 276 E C 2.060 178.675 176.600 0.026 0.000 0.991 276 E CA 1.061 57.481 56.400 0.033 0.000 0.799 276 E CB -0.029 29.697 29.700 0.043 0.000 0.748 276 E HN 0.203 nan 8.360 nan 0.000 0.449 277 L N 0.905 122.144 121.223 0.027 0.000 1.994 277 L HA -0.151 4.192 4.340 0.005 0.000 0.208 277 L C 2.175 179.054 176.870 0.014 0.000 1.071 277 L CA 2.178 57.032 54.840 0.024 0.000 0.745 277 L CB -0.802 41.274 42.059 0.028 0.000 0.892 277 L HN 0.068 nan 8.230 nan 0.000 0.431 278 A N -1.008 121.818 122.820 0.010 0.000 1.873 278 A HA -0.338 3.985 4.320 0.005 0.000 0.218 278 A C 2.274 179.847 177.584 -0.018 0.000 1.193 278 A CA 2.045 54.079 52.037 -0.006 0.000 0.629 278 A CB -0.927 18.068 19.000 -0.009 0.000 0.826 278 A HN 0.596 nan 8.150 nan 0.000 0.447 279 Q N -0.127 119.667 119.800 -0.009 0.000 2.062 279 Q HA -0.175 4.168 4.340 0.005 0.000 0.209 279 Q C 1.910 177.908 176.000 -0.004 0.000 0.996 279 Q CA 2.162 57.959 55.803 -0.010 0.000 0.859 279 Q CB -0.570 28.172 28.738 0.006 0.000 0.920 279 Q HN 0.675 nan 8.270 nan 0.000 0.415 280 L N -0.473 120.754 121.223 0.007 0.000 2.046 280 L HA -0.194 4.149 4.340 0.005 0.000 0.208 280 L C 2.572 179.448 176.870 0.010 0.000 1.077 280 L CA 1.604 56.452 54.840 0.013 0.000 0.747 280 L CB -0.351 41.719 42.059 0.018 0.000 0.896 280 L HN 0.210 nan 8.230 nan 0.000 0.432 281 R N -0.358 120.144 120.500 0.004 0.000 2.096 281 R HA -0.149 4.193 4.340 0.005 0.000 0.235 281 R C 2.283 178.575 176.300 -0.014 0.000 1.127 281 R CA 1.045 57.145 56.100 0.000 0.000 0.968 281 R CB -0.360 29.940 30.300 -0.001 0.000 0.861 281 R HN 0.347 nan 8.270 nan 0.000 0.440 282 L N 1.282 122.478 121.223 -0.045 0.000 2.083 282 L HA -0.174 4.169 4.340 0.005 0.000 0.209 282 L C 1.218 178.071 176.870 -0.029 0.000 1.083 282 L CA 1.430 56.200 54.840 -0.117 0.000 0.752 282 L CB -0.303 41.642 42.059 -0.192 0.000 0.899 282 L HN 0.230 nan 8.230 nan 0.000 0.433 283 N N 0.091 118.803 118.700 0.020 0.000 2.289 283 N HA -0.201 4.542 4.740 0.005 0.000 0.184 283 N C 1.584 177.137 175.510 0.072 0.000 1.016 283 N CA 1.068 54.158 53.050 0.067 0.000 0.872 283 N CB -0.079 38.435 38.487 0.045 0.000 0.973 283 N HN 0.503 nan 8.380 nan 0.000 0.433 284 Q N -0.877 118.955 119.800 0.052 0.000 2.384 284 Q HA 0.204 4.547 4.340 0.005 0.000 0.207 284 Q C 0.515 176.551 176.000 0.061 0.000 0.904 284 Q CA -0.046 55.786 55.803 0.048 0.000 0.933 284 Q CB 0.622 29.378 28.738 0.031 0.000 1.077 284 Q HN 0.061 nan 8.270 nan 0.000 0.522 291 H N 0.305 119.380 119.070 0.008 0.000 2.555 291 H HA 0.192 4.751 4.556 0.005 0.000 0.269 291 H C 1.838 177.169 175.328 0.006 0.000 0.988 291 H CA 1.162 57.215 56.048 0.007 0.000 1.178 291 H CB 0.444 30.210 29.762 0.006 0.000 1.373 291 H HN 0.394 nan 8.280 nan 0.000 0.588 292 G N -0.246 108.622 108.800 0.113 0.000 2.551 292 G HA2 -0.038 3.925 3.960 0.005 0.000 0.216 292 G HA3 -0.038 3.925 3.960 0.005 0.000 0.216 292 G C 0.064 174.993 174.900 0.048 0.000 1.137 292 G CA 0.139 45.280 45.100 0.069 0.000 0.798 292 G HN 0.279 nan 8.290 nan 0.000 0.536 293 Q N -0.288 119.537 119.800 0.042 0.000 2.456 293 Q HA 0.474 4.817 4.340 0.005 0.000 0.283 293 Q C -2.745 173.271 176.000 0.027 0.000 1.084 293 Q CA -2.144 53.676 55.803 0.029 0.000 0.801 293 Q CB 1.089 29.838 28.738 0.019 0.000 1.434 293 Q HN -0.104 nan 8.270 nan 0.000 0.419 294 P HA -0.076 nan 4.420 nan 0.000 0.267 294 P C -0.745 176.562 177.300 0.011 0.000 1.195 294 P CA -0.081 63.030 63.100 0.019 0.000 0.773 294 P CB 0.645 32.355 31.700 0.017 0.000 0.837 295 L N 2.789 124.016 121.223 0.007 0.000 2.278 295 L HA 0.286 4.629 4.340 0.005 0.000 0.287 295 L C 0.306 177.179 176.870 0.006 0.000 1.072 295 L CA 0.175 55.014 54.840 -0.001 0.000 0.819 295 L CB 0.424 42.478 42.059 -0.009 0.000 1.176 295 L HN 0.635 nan 8.230 nan 0.000 0.435 296 T N -0.103 114.454 114.554 0.006 0.000 2.896 296 T HA 0.310 4.662 4.350 0.005 0.000 0.297 296 T C 1.171 175.875 174.700 0.007 0.000 1.108 296 T CA -0.777 61.330 62.100 0.010 0.000 1.004 296 T CB 1.642 70.519 68.868 0.014 0.000 1.159 296 T HN 0.180 nan 8.240 nan 0.000 0.499 297 V N 0.357 120.275 119.914 0.007 0.000 2.370 297 V HA -0.188 3.934 4.120 0.005 0.000 0.252 297 V C 2.344 178.441 176.094 0.005 0.000 1.068 297 V CA 2.415 64.718 62.300 0.004 0.000 1.061 297 V CB -1.185 30.638 31.823 0.001 0.000 0.656 297 V HN 1.051 nan 8.190 nan 0.000 0.455 298 D N 0.788 121.192 120.400 0.007 0.000 2.097 298 D HA -0.160 4.483 4.640 0.005 0.000 0.197 298 D C 2.365 178.666 176.300 0.002 0.000 0.984 298 D CA 1.636 55.640 54.000 0.006 0.000 0.826 298 D CB -0.144 40.661 40.800 0.008 0.000 0.973 298 D HN 0.577 nan 8.370 nan 0.000 0.460 299 S N -0.141 115.561 115.700 0.003 0.000 2.383 299 S HA -0.123 4.350 4.470 0.005 0.000 0.227 299 S C 2.260 176.857 174.600 -0.004 0.000 1.026 299 S CA 0.407 58.607 58.200 0.000 0.000 0.981 299 S CB -0.692 62.509 63.200 0.001 0.000 0.818 299 S HN 0.355 nan 8.310 nan 0.000 0.472 300 L N 0.813 122.033 121.223 -0.004 0.000 2.013 300 L HA -0.154 4.189 4.340 0.005 0.000 0.212 300 L C 2.580 179.446 176.870 -0.006 0.000 1.073 300 L CA 2.088 56.924 54.840 -0.006 0.000 0.753 300 L CB -0.929 41.129 42.059 -0.002 0.000 0.890 300 L HN 0.504 nan 8.230 nan 0.000 0.432 301 C N -0.974 118.323 119.300 -0.005 0.000 2.466 301 C HA -0.119 4.344 4.460 0.005 0.000 0.278 301 C C 2.699 177.681 174.990 -0.013 0.000 1.288 301 C CA 0.189 59.200 59.018 -0.010 0.000 1.722 301 C CB -0.641 27.092 27.740 -0.012 0.000 2.017 301 C HN 0.548 nan 8.230 nan 0.000 0.488 302 Q N 0.735 120.530 119.800 -0.009 0.000 2.030 302 Q HA -0.212 4.130 4.340 0.005 0.000 0.204 302 Q C 2.529 178.525 176.000 -0.007 0.000 0.986 302 Q CA 2.066 57.864 55.803 -0.008 0.000 0.843 302 Q CB -0.362 28.373 28.738 -0.004 0.000 0.904 302 Q HN 0.726 nan 8.270 nan 0.000 0.420 303 A N 0.759 123.575 122.820 -0.006 0.000 1.908 303 A HA -0.169 4.154 4.320 0.005 0.000 0.218 303 A C 2.243 179.823 177.584 -0.006 0.000 1.181 303 A CA 1.851 53.885 52.037 -0.005 0.000 0.627 303 A CB -0.758 18.238 19.000 -0.007 0.000 0.818 303 A HN 0.464 nan 8.150 nan 0.000 0.445 304 A N -0.288 122.527 122.820 -0.008 0.000 1.873 304 A HA -0.019 4.304 4.320 0.005 0.000 0.215 304 A C 2.077 179.654 177.584 -0.011 0.000 1.186 304 A CA 1.396 53.428 52.037 -0.008 0.000 0.616 304 A CB -0.643 18.352 19.000 -0.008 0.000 0.823 304 A HN 0.469 nan 8.150 nan 0.000 0.442 305 L N -0.835 120.379 121.223 -0.016 0.000 2.349 305 L HA -0.170 4.173 4.340 0.005 0.000 0.220 305 L C 2.477 179.339 176.870 -0.013 0.000 1.130 305 L CA 0.947 55.776 54.840 -0.020 0.000 0.791 305 L CB -0.363 41.680 42.059 -0.026 0.000 0.918 305 L HN 0.403 nan 8.230 nan 0.000 0.444 306 R N -0.411 120.084 120.500 -0.009 0.000 2.280 306 R HA 0.141 4.484 4.340 0.005 0.000 0.195 306 R C 1.225 177.523 176.300 -0.003 0.000 0.935 306 R CA 0.677 56.774 56.100 -0.005 0.000 1.033 306 R CB 0.324 30.623 30.300 -0.002 0.000 0.964 306 R HN 0.384 nan 8.270 nan 0.000 0.489 307 G N 2.254 111.052 108.800 -0.003 0.000 2.135 307 G HA2 -0.247 3.716 3.960 0.005 0.000 0.183 307 G HA3 -0.247 3.716 3.960 0.005 0.000 0.183 307 G C -0.553 174.348 174.900 0.001 0.000 1.004 307 G CA -0.061 45.038 45.100 -0.001 0.000 0.677 307 G HN 0.407 nan 8.290 nan 0.000 0.512 308 D N 0.499 120.899 120.400 0.001 0.000 2.382 308 D HA 0.376 5.019 4.640 0.005 0.000 0.259 308 D C 2.037 178.337 176.300 0.001 0.000 1.224 308 D CA -0.271 53.731 54.000 0.002 0.000 0.894 308 D CB 0.230 41.029 40.800 -0.001 0.000 1.127 308 D HN 0.190 nan 8.370 nan 0.000 0.487 309 L N 3.736 124.961 121.223 0.004 0.000 2.083 309 L HA -0.156 4.187 4.340 0.005 0.000 0.209 309 L C 2.375 179.247 176.870 0.003 0.000 1.083 309 L CA 0.602 55.444 54.840 0.004 0.000 0.752 309 L CB -0.493 41.570 42.059 0.006 0.000 0.899 309 L HN 0.633 nan 8.230 nan 0.000 0.433 310 L N 0.036 121.259 121.223 -0.000 0.000 2.012 310 L HA -0.240 4.102 4.340 0.005 0.000 0.210 310 L C 2.826 179.693 176.870 -0.005 0.000 1.073 310 L CA 1.599 56.437 54.840 -0.005 0.000 0.748 310 L CB -0.326 41.723 42.059 -0.017 0.000 0.891 310 L HN 0.285 nan 8.230 nan 0.000 0.431 311 A N -0.304 122.511 122.820 -0.008 0.000 1.877 311 A HA -0.280 4.043 4.320 0.005 0.000 0.216 311 A C 2.292 179.877 177.584 0.001 0.000 1.186 311 A CA 2.007 54.040 52.037 -0.007 0.000 0.620 311 A CB -0.449 18.545 19.000 -0.009 0.000 0.822 311 A HN 0.366 nan 8.150 nan 0.000 0.443 312 K N -0.424 119.977 120.400 0.001 0.000 2.002 312 K HA -0.216 4.107 4.320 0.005 0.000 0.209 312 K C 1.833 178.439 176.600 0.009 0.000 1.048 312 K CA 1.803 58.092 56.287 0.004 0.000 0.930 312 K CB -0.295 32.207 32.500 0.002 0.000 0.714 312 K HN 0.472 nan 8.250 nan 0.000 0.438 313 D N 0.135 120.540 120.400 0.008 0.000 2.116 313 D HA -0.197 4.446 4.640 0.005 0.000 0.193 313 D C 1.725 178.036 176.300 0.020 0.000 0.998 313 D CA 1.628 55.635 54.000 0.012 0.000 0.836 313 D CB -0.019 40.788 40.800 0.011 0.000 0.951 313 D HN 0.212 nan 8.370 nan 0.000 0.449 314 I N 0.027 120.609 120.570 0.020 0.000 2.127 314 I HA -0.275 3.898 4.170 0.005 0.000 0.241 314 I C 2.367 178.507 176.117 0.038 0.000 1.075 314 I CA 0.986 62.304 61.300 0.030 0.000 1.334 314 I CB -0.231 37.782 38.000 0.020 0.000 1.040 314 I HN 0.145 nan 8.210 nan 0.000 0.405 315 I N -0.126 120.462 120.570 0.030 0.000 2.179 315 I HA -0.300 3.873 4.170 0.005 0.000 0.242 315 I C 2.526 178.668 176.117 0.042 0.000 1.088 315 I CA 1.564 62.886 61.300 0.036 0.000 1.357 315 I CB -0.661 37.354 38.000 0.025 0.000 1.051 315 I HN 0.240 nan 8.210 nan 0.000 0.409 316 T N 0.628 115.200 114.554 0.030 0.000 2.653 316 T HA -0.216 4.137 4.350 0.005 0.000 0.268 316 T C 1.904 176.615 174.700 0.019 0.000 1.035 316 T CA 1.719 63.832 62.100 0.023 0.000 1.154 316 T CB -0.912 67.963 68.868 0.011 0.000 0.862 316 T HN 0.632 nan 8.240 nan 0.000 0.441 317 G N 1.073 109.892 108.800 0.031 0.000 2.514 317 G HA2 -0.223 3.740 3.960 0.005 0.000 0.217 317 G HA3 -0.223 3.740 3.960 0.005 0.000 0.217 317 G C 1.718 176.684 174.900 0.111 0.000 1.198 317 G CA 1.145 46.272 45.100 0.045 0.000 0.780 317 G HN 0.445 nan 8.290 nan 0.000 0.565 318 V N 1.833 121.831 119.914 0.141 0.000 2.324 318 V HA -0.157 3.966 4.120 0.005 0.000 0.250 318 V C 3.172 179.336 176.094 0.116 0.000 1.060 318 V CA 2.164 64.560 62.300 0.160 0.000 1.042 318 V CB -1.265 30.618 31.823 0.101 0.000 0.650 318 V HN 0.487 nan 8.190 nan 0.000 0.450 319 G N -0.288 108.556 108.800 0.073 0.000 2.491 319 G HA2 -0.297 3.665 3.960 0.005 0.000 0.218 319 G HA3 -0.297 3.665 3.960 0.005 0.000 0.218 319 G C 1.789 176.701 174.900 0.020 0.000 1.180 319 G CA 1.347 46.479 45.100 0.054 0.000 0.774 319 G HN 0.651 nan 8.290 nan 0.000 0.562 320 A N 0.051 122.853 122.820 -0.031 0.000 1.908 320 A HA -0.126 4.197 4.320 0.005 0.000 0.218 320 A C 2.198 179.713 177.584 -0.115 0.000 1.181 320 A CA 1.914 53.888 52.037 -0.105 0.000 0.627 320 A CB -0.748 18.136 19.000 -0.194 0.000 0.818 320 A HN 0.500 nan 8.150 nan 0.000 0.445 321 H N -0.883 118.193 119.070 0.012 0.000 2.321 321 H HA -0.072 4.488 4.556 0.005 0.000 0.300 321 H C 2.374 177.702 175.328 0.002 0.000 1.087 321 H CA 1.833 57.885 56.048 0.007 0.000 1.319 321 H CB -0.530 29.236 29.762 0.007 0.000 1.379 321 H HN 0.299 nan 8.280 nan 0.000 0.501 322 V N 0.441 120.430 119.914 0.125 0.000 2.307 322 V HA -0.154 3.969 4.120 0.005 0.000 0.245 322 V C 2.805 178.914 176.094 0.026 0.000 1.045 322 V CA 1.625 63.960 62.300 0.059 0.000 1.024 322 V CB -1.125 30.725 31.823 0.044 0.000 0.651 322 V HN 0.535 nan 8.190 nan 0.000 0.449 323 G N -0.013 108.797 108.800 0.017 0.000 2.556 323 G HA2 -0.403 3.560 3.960 0.005 0.000 0.220 323 G HA3 -0.403 3.560 3.960 0.005 0.000 0.220 323 G C 1.696 176.601 174.900 0.008 0.000 1.156 323 G CA 1.504 46.605 45.100 0.002 0.000 0.766 323 G HN 0.458 nan 8.290 nan 0.000 0.583 324 R N -0.322 120.185 120.500 0.012 0.000 2.073 324 R HA -0.001 4.342 4.340 0.005 0.000 0.234 324 R C 2.546 178.861 176.300 0.024 0.000 1.134 324 R CA 1.562 57.671 56.100 0.014 0.000 0.952 324 R CB -0.399 29.911 30.300 0.016 0.000 0.850 324 R HN 0.376 nan 8.270 nan 0.000 0.433 325 I N 0.346 120.936 120.570 0.033 0.000 2.286 325 I HA -0.204 3.968 4.170 0.005 0.000 0.245 325 I C 1.890 178.026 176.117 0.032 0.000 1.104 325 I CA 0.693 62.013 61.300 0.032 0.000 1.397 325 I CB -0.122 37.896 38.000 0.030 0.000 1.072 325 I HN 0.234 nan 8.210 nan 0.000 0.417 326 L N 0.587 121.822 121.223 0.021 0.000 2.083 326 L HA -0.135 4.208 4.340 0.005 0.000 0.209 326 L C 2.508 179.397 176.870 0.032 0.000 1.083 326 L CA 2.116 56.966 54.840 0.017 0.000 0.752 326 L CB -1.286 40.765 42.059 -0.013 0.000 0.899 326 L HN 0.297 nan 8.230 nan 0.000 0.433 327 A N -0.632 122.203 122.820 0.026 0.000 1.940 327 A HA -0.107 4.216 4.320 0.005 0.000 0.219 327 A C 1.589 179.200 177.584 0.044 0.000 1.176 327 A CA 0.957 53.013 52.037 0.033 0.000 0.631 327 A CB -0.690 18.323 19.000 0.021 0.000 0.814 327 A HN 0.389 nan 8.150 nan 0.000 0.446 331 N N 1.018 119.806 118.700 0.147 0.000 2.205 331 N HA -0.043 4.700 4.740 0.005 0.000 0.186 331 N C 1.591 177.172 175.510 0.118 0.000 1.015 331 N CA 1.746 54.913 53.050 0.196 0.000 0.862 331 N CB -0.098 38.437 38.487 0.080 0.000 0.986 331 N HN 0.536 nan 8.380 nan 0.000 0.429 332 L N -1.863 119.321 121.223 -0.065 0.000 2.202 332 L HA 0.100 4.442 4.340 0.005 0.000 0.205 332 L C 1.338 177.942 176.870 -0.444 0.000 1.083 332 L CA 0.682 55.334 54.840 -0.313 0.000 0.790 332 L CB -0.219 41.501 42.059 -0.564 0.000 0.942 332 L HN -0.004 nan 8.230 nan 0.000 0.452 333 F N -1.053 118.853 119.950 -0.073 0.000 2.717 333 F HA 0.164 4.693 4.527 0.004 0.000 0.297 333 F C 0.900 176.554 175.800 -0.244 0.000 1.113 333 F CA -0.320 57.603 58.000 -0.127 0.000 1.319 333 F CB 0.065 39.008 39.000 -0.094 0.000 1.097 333 F HN 0.097 nan 8.300 nan 0.000 0.595 334 N N 2.048 120.612 118.700 -0.228 0.000 2.650 334 N HA -0.144 4.598 4.740 0.005 0.000 0.272 334 N C -2.788 172.587 175.510 -0.226 0.000 1.058 334 N CA -0.530 52.208 53.050 -0.521 0.000 0.765 334 N CB -0.162 37.643 38.487 -1.136 0.000 0.902 334 N HN 0.015 nan 8.380 nan 0.000 0.551 335 P HA 0.070 nan 4.420 nan 0.000 0.279 335 P C -0.149 177.109 177.300 -0.070 0.000 1.252 335 P CA -0.122 62.932 63.100 -0.076 0.000 0.811 335 P CB 0.816 32.480 31.700 -0.061 0.000 1.035 336 Q N 0.545 120.307 119.800 -0.062 0.000 2.212 336 Q HA 0.066 4.409 4.340 0.005 0.000 0.199 336 Q C 0.232 176.209 176.000 -0.039 0.000 0.950 336 Q CA 1.052 56.831 55.803 -0.041 0.000 0.863 336 Q CB -0.069 28.646 28.738 -0.038 0.000 0.944 336 Q HN 0.432 nan 8.270 nan 0.000 0.465 337 K N 0.547 120.912 120.400 -0.058 0.000 2.469 337 K HA 0.546 4.868 4.320 0.005 0.000 0.254 337 K C -1.239 175.305 176.600 -0.093 0.000 0.939 337 K CA -0.581 55.665 56.287 -0.068 0.000 0.812 337 K CB 2.522 34.980 32.500 -0.070 0.000 1.301 337 K HN -0.082 nan 8.250 nan 0.000 0.433 338 I N 3.393 123.894 120.570 -0.114 0.000 2.389 338 I HA 0.307 4.480 4.170 0.005 0.000 0.288 338 I C -0.705 175.294 176.117 -0.197 0.000 0.999 338 I CA -0.801 60.408 61.300 -0.152 0.000 1.129 338 I CB 1.169 39.077 38.000 -0.153 0.000 1.288 338 I HN 0.292 nan 8.210 nan 0.000 0.444 339 L N 6.825 127.926 121.223 -0.204 0.000 2.287 339 L HA 0.508 4.851 4.340 0.005 0.000 0.287 339 L C -0.556 176.151 176.870 -0.272 0.000 1.022 339 L CA -0.837 53.869 54.840 -0.223 0.000 0.814 339 L CB 1.473 43.410 42.059 -0.203 0.000 1.217 339 L HN 0.375 nan 8.230 nan 0.000 0.420 340 I N 2.838 123.233 120.570 -0.291 0.000 2.315 340 I HA 0.373 4.546 4.170 0.005 0.000 0.291 340 I C 0.699 176.723 176.117 -0.156 0.000 1.006 340 I CA -0.238 60.918 61.300 -0.241 0.000 1.265 340 I CB 1.234 39.071 38.000 -0.272 0.000 1.387 340 I HN 0.581 nan 8.210 nan 0.000 0.475 341 G N 3.692 112.309 108.800 -0.305 0.000 2.502 341 G HA2 0.547 4.510 3.960 0.005 0.000 0.311 341 G HA3 0.547 4.510 3.960 0.005 0.000 0.311 341 G C -0.672 174.183 174.900 -0.075 0.000 1.270 341 G CA -0.374 44.484 45.100 -0.403 0.000 0.948 341 G HN 0.619 nan 8.290 nan 0.000 0.487 342 S N 2.499 118.345 115.700 0.243 0.000 2.675 342 S HA 0.454 4.926 4.470 0.005 0.000 0.297 342 S C -2.388 172.335 174.600 0.206 0.000 1.035 342 S CA -0.548 57.790 58.200 0.229 0.000 0.852 342 S CB 1.654 64.936 63.200 0.136 0.000 1.051 342 S HN 0.145 nan 8.310 nan 0.000 0.451 343 P HA -0.022 nan 4.420 nan 0.000 0.216 343 P C 1.373 178.713 177.300 0.066 0.000 1.150 343 P CA 1.099 64.253 63.100 0.090 0.000 0.843 343 P CB -0.064 31.662 31.700 0.044 0.000 0.787 344 L N -0.517 120.747 121.223 0.069 0.000 2.447 344 L HA -0.142 4.200 4.340 0.005 0.000 0.225 344 L C 2.247 179.142 176.870 0.041 0.000 1.148 344 L CA 1.554 56.426 54.840 0.054 0.000 0.808 344 L CB -1.269 40.833 42.059 0.070 0.000 0.928 344 L HN 0.123 nan 8.230 nan 0.000 0.448 345 S N -1.024 114.719 115.700 0.071 0.000 2.515 345 S HA -0.074 4.399 4.470 0.005 0.000 0.231 345 S C 1.831 176.362 174.600 -0.116 0.000 0.987 345 S CA 0.135 58.323 58.200 -0.020 0.000 0.936 345 S CB -0.142 63.151 63.200 0.155 0.000 0.766 345 S HN 0.325 nan 8.310 nan 0.000 0.528 346 K N 2.273 122.648 120.400 -0.041 0.000 2.089 346 K HA -0.037 4.285 4.320 0.005 0.000 0.210 346 K C 1.656 178.201 176.600 -0.091 0.000 1.048 346 K CA 1.501 57.758 56.287 -0.050 0.000 0.926 346 K CB -0.893 31.596 32.500 -0.017 0.000 0.714 346 K HN 0.579 nan 8.250 nan 0.000 0.448 347 A N 0.713 123.477 122.820 -0.093 0.000 2.797 347 A HA 0.426 4.749 4.320 0.005 0.000 0.287 347 A C 1.778 179.235 177.584 -0.211 0.000 1.369 347 A CA 0.644 52.616 52.037 -0.109 0.000 0.968 347 A CB -0.360 18.609 19.000 -0.052 0.000 1.069 347 A HN 0.220 nan 8.150 nan 0.000 0.571 348 A N 0.591 123.171 122.820 -0.401 0.000 1.940 348 A HA -0.255 4.068 4.320 0.005 0.000 0.221 348 A C 1.545 178.825 177.584 -0.505 0.000 1.190 348 A CA 2.130 53.628 52.037 -0.898 0.000 0.647 348 A CB -0.416 17.895 19.000 -1.149 0.000 0.821 348 A HN 0.473 nan 8.150 nan 0.000 0.457 349 D N -1.023 119.217 120.400 -0.266 0.000 2.378 349 D HA 0.027 4.670 4.640 0.005 0.000 0.222 349 D C 1.494 177.757 176.300 -0.063 0.000 0.980 349 D CA 0.789 54.710 54.000 -0.130 0.000 0.907 349 D CB -0.072 40.674 40.800 -0.090 0.000 0.899 349 D HN 0.602 nan 8.370 nan 0.000 0.527 350 I N -0.616 119.918 120.570 -0.060 0.000 3.194 350 I HA -0.028 4.145 4.170 0.005 0.000 0.271 350 I C 2.221 178.359 176.117 0.035 0.000 1.150 350 I CA -0.052 61.242 61.300 -0.009 0.000 1.440 350 I CB 0.373 38.367 38.000 -0.009 0.000 1.276 350 I HN -0.078 nan 8.210 nan 0.000 0.457 351 L N 0.624 121.874 121.223 0.045 0.000 1.994 351 L HA -0.218 4.125 4.340 0.005 0.000 0.208 351 L C 2.632 179.681 176.870 0.300 0.000 1.071 351 L CA 2.164 57.097 54.840 0.155 0.000 0.745 351 L CB -0.375 41.800 42.059 0.193 0.000 0.892 351 L HN 0.212 nan 8.230 nan 0.000 0.431 352 F N 0.291 120.239 119.950 -0.004 0.000 2.095 352 F HA -0.182 4.348 4.527 0.005 0.000 0.298 352 F C -0.079 175.717 175.800 -0.007 0.000 1.104 352 F CA 0.595 58.590 58.000 -0.007 0.000 1.232 352 F CB -1.710 37.284 39.000 -0.009 0.000 0.987 352 F HN 0.241 nan 8.300 nan 0.000 0.475 353 P HA -0.123 nan 4.420 nan 0.000 0.219 353 P C 1.661 179.001 177.300 0.067 0.000 1.146 353 P CA 1.051 64.210 63.100 0.098 0.000 0.808 353 P CB -0.072 31.666 31.700 0.064 0.000 0.779 354 V N -0.311 119.647 119.914 0.073 0.000 2.323 354 V HA -0.205 3.918 4.120 0.005 0.000 0.244 354 V C 2.399 178.511 176.094 0.030 0.000 1.041 354 V CA 1.412 63.738 62.300 0.042 0.000 1.025 354 V CB -0.958 30.889 31.823 0.039 0.000 0.656 354 V HN 0.029 nan 8.190 nan 0.000 0.451 355 I N 0.092 120.685 120.570 0.038 0.000 2.069 355 I HA -0.300 3.872 4.170 0.005 0.000 0.237 355 I C 2.669 178.782 176.117 -0.007 0.000 1.053 355 I CA 1.942 63.243 61.300 0.001 0.000 1.311 355 I CB -0.813 37.166 38.000 -0.035 0.000 1.030 355 I HN 0.272 nan 8.210 nan 0.000 0.398 356 S N 0.641 116.339 115.700 -0.004 0.000 2.393 356 S HA -0.297 4.176 4.470 0.005 0.000 0.234 356 S C 1.572 176.177 174.600 0.008 0.000 1.064 356 S CA 2.210 60.410 58.200 0.001 0.000 1.088 356 S CB -0.547 62.664 63.200 0.019 0.000 0.939 356 S HN 0.458 nan 8.310 nan 0.000 0.448 357 D N 0.635 121.043 120.400 0.013 0.000 2.144 357 D HA 0.010 4.653 4.640 0.005 0.000 0.200 357 D C 2.255 178.558 176.300 0.005 0.000 0.978 357 D CA 0.983 54.989 54.000 0.009 0.000 0.833 357 D CB -0.493 40.312 40.800 0.009 0.000 0.961 357 D HN 0.300 nan 8.370 nan 0.000 0.470 358 S N 0.349 116.050 115.700 0.002 0.000 2.348 358 S HA -0.099 4.374 4.470 0.005 0.000 0.221 358 S C 2.204 176.806 174.600 0.004 0.000 1.033 358 S CA 0.598 58.797 58.200 -0.001 0.000 1.010 358 S CB -0.275 62.923 63.200 -0.005 0.000 0.891 358 S HN 0.253 nan 8.310 nan 0.000 0.442 359 I N 1.228 121.801 120.570 0.006 0.000 2.264 359 I HA -0.245 3.928 4.170 0.005 0.000 0.248 359 I C 2.694 178.824 176.117 0.021 0.000 1.111 359 I CA 1.316 62.624 61.300 0.014 0.000 1.382 359 I CB -0.283 37.722 38.000 0.008 0.000 1.060 359 I HN 0.176 nan 8.210 nan 0.000 0.418 360 R N 0.196 120.706 120.500 0.017 0.000 2.073 360 R HA -0.127 4.216 4.340 0.005 0.000 0.229 360 R C 2.219 178.527 176.300 0.013 0.000 1.120 360 R CA 1.132 57.244 56.100 0.020 0.000 0.967 360 R CB -0.182 30.129 30.300 0.018 0.000 0.862 360 R HN 0.415 nan 8.270 nan 0.000 0.436 361 Q N -0.352 119.453 119.800 0.008 0.000 2.435 361 Q HA -0.060 4.283 4.340 0.005 0.000 0.207 361 Q C 1.080 177.080 176.000 0.001 0.000 0.956 361 Q CA 0.890 56.694 55.803 0.002 0.000 0.917 361 Q CB 0.562 29.300 28.738 -0.000 0.000 0.997 361 Q HN 0.356 nan 8.270 nan 0.000 0.497 362 Q N -1.624 118.179 119.800 0.005 0.000 2.157 362 Q HA 0.323 4.666 4.340 0.005 0.000 0.235 362 Q C -0.590 175.416 176.000 0.010 0.000 0.803 362 Q CA -0.230 55.576 55.803 0.004 0.000 0.967 362 Q CB 1.660 30.401 28.738 0.004 0.000 1.150 362 Q HN 0.110 nan 8.270 nan 0.000 0.482 363 A N 0.434 123.266 122.820 0.019 0.000 2.350 363 A HA 0.517 4.840 4.320 0.005 0.000 0.318 363 A C -0.653 176.935 177.584 0.006 0.000 1.132 363 A CA -0.660 51.396 52.037 0.032 0.000 0.811 363 A CB 0.830 19.874 19.000 0.073 0.000 1.313 363 A HN 0.258 nan 8.150 nan 0.000 0.454 364 L N 1.723 122.927 121.223 -0.033 0.000 2.700 364 L HA -0.010 4.333 4.340 0.005 0.000 0.276 364 L C -1.373 175.460 176.870 -0.062 0.000 1.200 364 L CA -0.710 54.056 54.840 -0.124 0.000 0.951 364 L CB 0.892 42.727 42.059 -0.373 0.000 1.226 364 L HN 0.562 nan 8.230 nan 0.000 0.489 365 P HA -0.275 nan 4.420 nan 0.000 0.217 365 P C 1.308 178.609 177.300 0.002 0.000 1.158 365 P CA 2.079 65.173 63.100 -0.009 0.000 0.887 365 P CB 0.207 31.895 31.700 -0.019 0.000 0.792 366 A N -2.103 120.685 122.820 -0.054 0.000 2.024 366 A HA -0.231 4.091 4.320 0.005 0.000 0.220 366 A C 1.816 179.466 177.584 0.110 0.000 1.164 366 A CA 1.662 53.681 52.037 -0.031 0.000 0.643 366 A CB -1.630 17.308 19.000 -0.102 0.000 0.806 366 A HN 0.178 nan 8.150 nan 0.000 0.451 367 Y N 0.037 120.330 120.300 -0.012 0.000 2.476 367 Y HA 0.038 4.591 4.550 0.004 0.000 0.283 367 Y C 2.652 178.558 175.900 0.010 0.000 1.109 367 Y CA 0.407 58.505 58.100 -0.004 0.000 1.246 367 Y CB -0.478 37.980 38.460 -0.002 0.000 1.068 367 Y HN 0.432 nan 8.280 nan 0.000 0.552 368 S N -1.331 114.470 115.700 0.169 0.000 2.556 368 S HA 0.014 4.487 4.470 0.005 0.000 0.216 368 S C 1.680 176.344 174.600 0.107 0.000 0.970 368 S CA 0.124 58.391 58.200 0.112 0.000 0.912 368 S CB 0.107 63.353 63.200 0.077 0.000 0.790 368 S HN 0.273 nan 8.310 nan 0.000 0.504 369 Q N 1.891 121.771 119.800 0.133 0.000 1.993 369 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 369 Q C 0.428 176.638 176.000 0.350 0.000 0.984 369 Q CA 1.751 57.681 55.803 0.213 0.000 0.837 369 Q CB -0.180 28.662 28.738 0.172 0.000 0.902 369 Q HN 0.678 nan 8.270 nan 0.000 0.423 370 H N -0.870 118.213 119.070 0.023 0.000 2.507 370 H HA 0.386 4.944 4.556 0.005 0.000 0.281 370 H C -1.090 174.240 175.328 0.004 0.000 1.160 370 H CA -0.433 55.623 56.048 0.012 0.000 0.981 370 H CB -0.107 29.661 29.762 0.011 0.000 1.665 370 H HN 0.181 nan 8.280 nan 0.000 0.554 371 I N 1.949 122.573 120.570 0.091 0.000 2.315 371 I HA 0.128 4.301 4.170 0.005 0.000 0.291 371 I C 0.004 176.121 176.117 -0.000 0.000 1.006 371 I CA -0.526 60.796 61.300 0.036 0.000 1.265 371 I CB 0.603 38.620 38.000 0.028 0.000 1.387 371 I HN 0.226 nan 8.210 nan 0.000 0.475 372 S N 6.676 122.366 115.700 -0.016 0.000 2.475 372 S HA 0.435 4.907 4.470 0.005 0.000 0.281 372 S C -0.423 174.131 174.600 -0.078 0.000 1.198 372 S CA -0.830 57.351 58.200 -0.032 0.000 1.063 372 S CB 1.309 64.497 63.200 -0.021 0.000 0.972 372 S HN 0.315 nan 8.310 nan 0.000 0.486 373 V N 4.947 124.797 119.914 -0.106 0.000 2.405 373 V HA 0.315 4.438 4.120 0.005 0.000 0.264 373 V C 0.414 176.345 176.094 -0.272 0.000 1.048 373 V CA -0.248 61.897 62.300 -0.258 0.000 0.966 373 V CB -0.437 31.197 31.823 -0.315 0.000 1.015 373 V HN 1.014 nan 8.190 nan 0.000 0.477 374 E N 3.160 123.194 120.200 -0.276 0.000 2.312 374 E HA 0.638 4.991 4.350 0.005 0.000 0.267 374 E C -0.525 176.033 176.600 -0.070 0.000 0.894 374 E CA -0.786 55.577 56.400 -0.061 0.000 0.773 374 E CB 1.918 31.612 29.700 -0.009 0.000 1.241 374 E HN 0.447 nan 8.360 nan 0.000 0.432 375 S N 1.088 116.945 115.700 0.261 0.000 2.600 375 S HA 0.118 4.591 4.470 0.005 0.000 0.265 375 S C 0.182 174.821 174.600 0.066 0.000 1.325 375 S CA -0.294 58.055 58.200 0.249 0.000 1.002 375 S CB 1.074 64.479 63.200 0.341 0.000 0.921 375 S HN 0.530 nan 8.310 nan 0.000 0.554 376 T N 1.669 116.255 114.554 0.054 0.000 2.898 376 T HA 0.119 4.472 4.350 0.005 0.000 0.301 376 T C 1.236 175.949 174.700 0.022 0.000 1.049 376 T CA -0.029 62.082 62.100 0.017 0.000 1.095 376 T CB 0.851 69.767 68.868 0.080 0.000 0.976 376 T HN 0.813 nan 8.240 nan 0.000 0.539 377 Q N 2.117 121.825 119.800 -0.153 0.000 2.172 377 Q HA 0.048 4.391 4.340 0.005 0.000 0.200 377 Q C -0.334 175.531 176.000 -0.225 0.000 0.964 377 Q CA 1.133 56.734 55.803 -0.336 0.000 0.855 377 Q CB 0.147 28.442 28.738 -0.738 0.000 0.918 377 Q HN 0.692 nan 8.270 nan 0.000 0.444 378 F N -0.738 119.387 119.950 0.291 0.000 2.483 378 F HA 0.233 4.763 4.527 0.004 0.000 0.329 378 F C 1.214 177.150 175.800 0.226 0.000 1.064 378 F CA -0.809 57.310 58.000 0.199 0.000 0.986 378 F CB 1.650 40.730 39.000 0.132 0.000 1.218 378 F HN -0.071 nan 8.300 nan 0.000 0.484 379 S N -0.358 115.477 115.700 0.224 0.000 2.556 379 S HA 0.038 4.511 4.470 0.005 0.000 0.216 379 S C 0.577 174.940 174.600 -0.396 0.000 0.970 379 S CA 0.129 58.365 58.200 0.061 0.000 0.912 379 S CB -0.536 62.695 63.200 0.052 0.000 0.790 379 S HN 0.800 nan 8.310 nan 0.000 0.504 380 N N 1.594 119.937 118.700 -0.595 0.000 2.727 380 N HA -0.165 4.578 4.740 0.005 0.000 0.249 380 N C -0.701 174.487 175.510 -0.536 0.000 1.048 380 N CA 0.521 53.047 53.050 -0.873 0.000 0.714 380 N CB -1.289 36.040 38.487 -1.930 0.000 0.959 380 N HN 0.494 nan 8.380 nan 0.000 0.544 381 Q N 0.136 119.720 119.800 -0.361 0.000 2.299 381 Q HA 0.512 4.855 4.340 0.005 0.000 0.246 381 Q C 1.548 177.321 176.000 -0.379 0.000 0.935 381 Q CA 0.800 56.415 55.803 -0.313 0.000 0.887 381 Q CB 0.717 29.332 28.738 -0.206 0.000 1.223 381 Q HN 0.561 nan 8.270 nan 0.000 0.439 382 G N 1.596 110.076 108.800 -0.533 0.000 2.582 382 G HA2 -0.328 3.635 3.960 0.005 0.000 0.288 382 G HA3 -0.328 3.635 3.960 0.005 0.000 0.288 382 G C 0.123 174.722 174.900 -0.501 0.000 1.247 382 G CA 0.395 45.100 45.100 -0.659 0.000 0.972 382 G HN 0.902 nan 8.290 nan 0.000 0.557 386 G N 0.989 109.818 108.800 0.048 0.000 2.547 386 G HA2 -0.084 3.879 3.960 0.005 0.000 0.221 386 G HA3 -0.084 3.879 3.960 0.005 0.000 0.221 386 G C 1.714 176.649 174.900 0.058 0.000 1.140 386 G CA 2.303 47.472 45.100 0.114 0.000 0.760 386 G HN 1.477 nan 8.290 nan 0.000 0.583 387 A N 0.931 123.813 122.820 0.102 0.000 1.997 387 A HA 0.129 4.452 4.320 0.005 0.000 0.221 387 A C 2.786 180.433 177.584 0.104 0.000 1.172 387 A CA 2.521 54.589 52.037 0.051 0.000 0.645 387 A CB -0.673 18.321 19.000 -0.010 0.000 0.813 387 A HN 0.990 nan 8.150 nan 0.000 0.454 388 A N -0.557 122.379 122.820 0.192 0.000 1.970 388 A HA 0.131 4.454 4.320 0.005 0.000 0.216 388 A C 2.088 179.624 177.584 -0.081 0.000 1.170 388 A CA 1.119 53.228 52.037 0.120 0.000 0.645 388 A CB -0.414 18.677 19.000 0.152 0.000 0.816 388 A HN 0.467 nan 8.150 nan 0.000 0.447 389 L N -0.537 120.633 121.223 -0.087 0.000 2.056 389 L HA -0.144 4.199 4.340 0.005 0.000 0.207 389 L C 2.497 179.141 176.870 -0.377 0.000 1.078 389 L CA 1.186 55.923 54.840 -0.172 0.000 0.749 389 L CB -0.819 41.204 42.059 -0.061 0.000 0.901 389 L HN 0.245 nan 8.230 nan 0.000 0.433 390 V N -0.361 119.305 119.914 -0.412 0.000 2.255 390 V HA -0.199 3.924 4.120 0.005 0.000 0.243 390 V C 2.579 178.376 176.094 -0.495 0.000 1.038 390 V CA 1.400 63.377 62.300 -0.539 0.000 1.008 390 V CB -0.494 30.859 31.823 -0.783 0.000 0.645 390 V HN 0.342 nan 8.190 nan 0.000 0.449 391 K N 0.188 120.326 120.400 -0.437 0.000 2.113 391 K HA -0.264 4.059 4.320 0.005 0.000 0.208 391 K C 1.885 177.973 176.600 -0.852 0.000 1.047 391 K CA 2.042 57.928 56.287 -0.668 0.000 0.928 391 K CB -0.681 31.475 32.500 -0.572 0.000 0.716 391 K HN 0.602 nan 8.250 nan 0.000 0.446 392 D N 0.365 120.449 120.400 -0.526 0.000 2.123 392 D HA -0.093 4.550 4.640 0.005 0.000 0.196 392 D C 0.620 176.730 176.300 -0.316 0.000 0.992 392 D CA 1.045 54.835 54.000 -0.350 0.000 0.833 392 D CB 0.065 40.712 40.800 -0.255 0.000 0.954 392 D HN 0.226 nan 8.370 nan 0.000 0.455 396 N N 1.618 120.369 118.700 0.085 0.000 2.521 396 N HA 0.147 4.890 4.740 0.005 0.000 0.188 396 N C 1.466 176.974 175.510 -0.003 0.000 1.146 396 N CA 1.530 54.589 53.050 0.016 0.000 0.893 396 N CB 0.289 38.763 38.487 -0.022 0.000 0.975 396 N HN 0.526 nan 8.380 nan 0.000 0.451 397 G N -0.721 108.071 108.800 -0.013 0.000 2.205 397 G HA2 -0.400 3.563 3.960 0.005 0.000 0.261 397 G HA3 -0.400 3.563 3.960 0.005 0.000 0.261 397 G C 1.193 176.062 174.900 -0.051 0.000 0.980 397 G CA 1.092 46.171 45.100 -0.036 0.000 0.632 397 G HN 0.783 nan 8.290 nan 0.000 0.533 398 S N 0.202 115.878 115.700 -0.040 0.000 2.343 398 S HA 0.031 4.504 4.470 0.005 0.000 0.219 398 S C 2.271 176.872 174.600 0.002 0.000 1.033 398 S CA 1.559 59.758 58.200 -0.001 0.000 1.014 398 S CB -0.444 62.783 63.200 0.045 0.000 0.915 398 S HN 0.714 nan 8.310 nan 0.000 0.435 399 L N 0.672 121.886 121.223 -0.015 0.000 2.079 399 L HA -0.046 4.296 4.340 0.005 0.000 0.210 399 L C 2.722 179.519 176.870 -0.122 0.000 1.081 399 L CA 1.461 56.288 54.840 -0.021 0.000 0.752 399 L CB -0.499 41.507 42.059 -0.089 0.000 0.896 399 L HN 0.455 nan 8.230 nan 0.000 0.433 400 L N -0.601 120.514 121.223 -0.180 0.000 1.989 400 L HA -0.316 4.027 4.340 0.005 0.000 0.211 400 L C 2.549 179.333 176.870 -0.144 0.000 1.071 400 L CA 1.681 56.385 54.840 -0.228 0.000 0.749 400 L CB -0.206 41.724 42.059 -0.215 0.000 0.890 400 L HN 0.231 nan 8.230 nan 0.000 0.431 401 I N -0.359 120.162 120.570 -0.083 0.000 2.208 401 I HA -0.294 3.879 4.170 0.005 0.000 0.245 401 I C 2.698 178.790 176.117 -0.042 0.000 1.097 401 I CA 1.284 62.555 61.300 -0.050 0.000 1.363 401 I CB -0.419 37.566 38.000 -0.025 0.000 1.051 401 I HN 0.189 nan 8.210 nan 0.000 0.413 402 R N 0.056 120.537 120.500 -0.033 0.000 2.091 402 R HA -0.143 4.200 4.340 0.005 0.000 0.238 402 R C 2.263 178.548 176.300 -0.025 0.000 1.136 402 R CA 1.380 57.471 56.100 -0.014 0.000 0.959 402 R CB -1.052 29.252 30.300 0.008 0.000 0.856 402 R HN 0.387 nan 8.270 nan 0.000 0.437 403 L N 0.660 121.836 121.223 -0.078 0.000 2.093 403 L HA -0.114 4.229 4.340 0.005 0.000 0.208 403 L C 2.239 179.066 176.870 -0.071 0.000 1.085 403 L CA 0.890 55.659 54.840 -0.118 0.000 0.755 403 L CB -0.418 41.436 42.059 -0.342 0.000 0.904 403 L HN 0.104 nan 8.230 nan 0.000 0.435 404 L N -0.472 120.705 121.223 -0.077 0.000 2.633 404 L HA -0.159 4.183 4.340 0.005 0.000 0.235 404 L C 2.323 179.189 176.870 -0.007 0.000 1.163 404 L CA 0.060 54.874 54.840 -0.042 0.000 0.859 404 L CB -0.339 41.691 42.059 -0.048 0.000 0.973 404 L HN 0.274 nan 8.230 nan 0.000 0.451 405 Q N 0.495 120.299 119.800 0.006 0.000 2.046 405 Q HA 0.098 4.441 4.340 0.005 0.000 0.200 405 Q C 1.283 177.304 176.000 0.035 0.000 0.975 405 Q CA 1.056 56.871 55.803 0.019 0.000 0.836 405 Q CB -0.255 28.494 28.738 0.020 0.000 0.896 405 Q HN 0.457 nan 8.270 nan 0.000 0.428 406 G N 0.000 108.839 108.800 0.066 0.000 5.446 406 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 406 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 406 G CA 0.000 45.153 45.100 0.089 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925