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 3m5q_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVCPDGTRVS HAACCAFIPL AQDLQETIFQ NEcGEDAHEV IRLTFHDAIA DATA SEQUENCE ISRSQGPKAG GGADGSMLLF PTVEPNFSAN NGIDDSVNNL IPFMQKHNTI DATA SEQUENCE SAADLVQFAG AVALSNcPGA PRLEFLAGRP NKTIAAVDGL IPEPQDSVTK DATA SEQUENCE ILQRFEDAGG FTPFEVVSLL ASHSVARADK VDQTIDAAPF DSTPFTFDTQ DATA SEQUENCE VFLEVLLKGV GFPGSANNTG EVASPLPLGS GSDTGEMRLQ SDFALAHDPR DATA SEQUENCE TACIWQGFVN EQAFMAASFR AAMSKLAVLG HNRNSLIDCS DVVPVPKPAT DATA SEQUENCE GQPAMFPAST GPQDLELSCP SERFPTLTTQ PGASQSLIAH cPDGSMScPG DATA SEQUENCE VQFNGPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.045 52.037 0.014 0.000 0.836 1 A CB 0.000 19.020 19.000 0.034 0.000 0.831 2 V N 1.118 121.044 119.914 0.020 0.000 2.370 2 V HA 0.372 4.492 4.120 0.001 0.000 0.283 2 V C 0.486 176.596 176.094 0.026 0.000 1.023 2 V CA -0.650 61.663 62.300 0.021 0.000 0.857 2 V CB 0.842 32.675 31.823 0.016 0.000 0.985 2 V HN 1.063 nan 8.190 nan 0.000 0.443 3 C N 6.522 125.842 119.300 0.033 0.000 2.649 3 C HA 0.216 4.677 4.460 0.001 0.000 0.377 3 C C -0.353 174.653 174.990 0.027 0.000 1.321 3 C CA -0.559 58.479 59.018 0.035 0.000 2.368 3 C CB 0.576 28.341 27.740 0.042 0.000 2.597 3 C HN 0.727 nan 8.230 nan 0.000 0.678 4 P HA -0.044 nan 4.420 nan 0.000 0.219 4 P C -0.072 177.240 177.300 0.020 0.000 1.150 4 P CA 1.333 64.445 63.100 0.018 0.000 0.814 4 P CB 0.023 31.732 31.700 0.015 0.000 0.787 5 D N -0.160 120.256 120.400 0.026 0.000 2.500 5 D HA 0.122 4.762 4.640 0.001 0.000 0.219 5 D C 1.319 177.638 176.300 0.031 0.000 1.137 5 D CA 0.017 54.034 54.000 0.028 0.000 0.946 5 D CB 0.023 40.843 40.800 0.033 0.000 1.022 5 D HN 0.025 nan 8.370 nan 0.000 0.518 6 G N 2.953 111.768 108.800 0.025 0.000 5.272 6 G HA2 -0.305 3.655 3.960 0.001 0.000 0.250 6 G HA3 -0.305 3.655 3.960 0.001 0.000 0.250 6 G C 0.760 175.675 174.900 0.026 0.000 0.871 6 G CA 0.732 45.846 45.100 0.023 0.000 0.512 6 G HN 0.347 nan 8.290 nan 0.000 0.903 7 T N 0.129 114.702 114.554 0.032 0.000 2.853 7 T HA 0.266 4.616 4.350 0.001 0.000 0.298 7 T C 0.736 175.456 174.700 0.033 0.000 0.978 7 T CA -0.315 61.806 62.100 0.036 0.000 1.152 7 T CB 1.179 70.076 68.868 0.048 0.000 0.914 7 T HN 0.358 nan 8.240 nan 0.000 0.539 8 R N 2.690 123.206 120.500 0.027 0.000 2.347 8 R HA 0.439 4.780 4.340 0.001 0.000 0.304 8 R C -0.138 176.177 176.300 0.025 0.000 1.072 8 R CA -0.356 55.756 56.100 0.021 0.000 0.980 8 R CB 0.195 30.502 30.300 0.011 0.000 0.986 8 R HN 0.593 nan 8.270 nan 0.000 0.448 9 V N 0.719 120.648 119.914 0.025 0.000 3.141 9 V HA 0.388 4.508 4.120 0.001 0.000 0.312 9 V C 0.964 177.051 176.094 -0.011 0.000 1.157 9 V CA -0.226 62.093 62.300 0.031 0.000 1.041 9 V CB 1.837 33.702 31.823 0.070 0.000 1.071 9 V HN 0.879 nan 8.190 nan 0.000 0.441 10 S N -0.319 115.362 115.700 -0.032 0.000 2.383 10 S HA -0.003 4.467 4.470 0.001 0.000 0.227 10 S C 0.667 175.035 174.600 -0.388 0.000 1.026 10 S CA 1.085 59.159 58.200 -0.211 0.000 0.981 10 S CB -0.711 62.388 63.200 -0.168 0.000 0.818 10 S HN 0.944 nan 8.310 nan 0.000 0.472 11 H N -1.342 117.746 119.070 0.030 0.000 2.974 11 H HA 0.574 5.131 4.556 0.001 0.000 0.366 11 H C 0.884 176.237 175.328 0.043 0.000 1.155 11 H CA -0.317 55.748 56.048 0.029 0.000 1.186 11 H CB 1.735 31.511 29.762 0.022 0.000 1.799 11 H HN 0.217 nan 8.280 nan 0.000 0.541 12 A N 1.900 124.816 122.820 0.159 0.000 1.978 12 A HA -0.140 4.180 4.320 0.001 0.000 0.220 12 A C 2.167 179.820 177.584 0.116 0.000 1.170 12 A CA 2.007 54.107 52.037 0.106 0.000 0.636 12 A CB -0.626 18.418 19.000 0.074 0.000 0.810 12 A HN 0.747 nan 8.150 nan 0.000 0.448 13 A N -1.522 121.375 122.820 0.129 0.000 2.168 13 A HA -0.027 4.293 4.320 0.001 0.000 0.215 13 A C 1.986 179.702 177.584 0.219 0.000 1.152 13 A CA 1.290 53.401 52.037 0.123 0.000 0.716 13 A CB -1.024 18.022 19.000 0.077 0.000 0.794 13 A HN 0.610 nan 8.150 nan 0.000 0.465 14 C N -1.897 117.544 119.300 0.235 0.000 2.468 14 C HA -0.061 4.400 4.460 0.001 0.000 0.277 14 C C 2.647 177.812 174.990 0.293 0.000 1.400 14 C CA 0.247 59.455 59.018 0.317 0.000 1.770 14 C CB -1.826 26.043 27.740 0.215 0.000 1.905 14 C HN 0.769 nan 8.230 nan 0.000 0.519 15 C N 1.230 120.628 119.300 0.163 0.000 2.413 15 C HA -0.134 4.326 4.460 0.001 0.000 0.276 15 C C 3.075 178.098 174.990 0.055 0.000 1.248 15 C CA 1.488 60.566 59.018 0.101 0.000 1.742 15 C CB -1.435 26.343 27.740 0.064 0.000 2.017 15 C HN 0.711 nan 8.230 nan 0.000 0.481 16 A N -0.537 122.266 122.820 -0.029 0.000 2.125 16 A HA -0.062 4.258 4.320 0.001 0.000 0.219 16 A C 1.699 179.117 177.584 -0.276 0.000 1.156 16 A CA 1.163 53.106 52.037 -0.157 0.000 0.671 16 A CB -0.721 18.119 19.000 -0.267 0.000 0.794 16 A HN 0.592 nan 8.150 nan 0.000 0.459 17 F N -0.133 119.722 119.950 -0.159 0.000 2.407 17 F HA -0.005 4.522 4.527 0.001 0.000 0.299 17 F C 1.965 177.674 175.800 -0.151 0.000 1.097 17 F CA 0.686 58.452 58.000 -0.390 0.000 1.422 17 F CB -0.304 38.228 39.000 -0.780 0.000 1.067 17 F HN 0.163 nan 8.300 nan 0.000 0.539 18 I N 1.056 121.693 120.570 0.112 0.000 2.142 18 I HA -0.198 3.972 4.170 0.001 0.000 0.240 18 I C -0.256 175.929 176.117 0.112 0.000 1.078 18 I CA 1.243 62.623 61.300 0.133 0.000 1.343 18 I CB -1.840 36.225 38.000 0.109 0.000 1.046 18 I HN -0.001 nan 8.210 nan 0.000 0.405 19 P HA -0.162 nan 4.420 nan 0.000 0.218 19 P C 1.900 179.250 177.300 0.083 0.000 1.149 19 P CA 1.187 64.359 63.100 0.121 0.000 0.817 19 P CB -0.051 31.744 31.700 0.158 0.000 0.785 20 L N 0.533 121.707 121.223 -0.081 0.000 2.017 20 L HA -0.078 4.263 4.340 0.001 0.000 0.208 20 L C 2.504 179.363 176.870 -0.018 0.000 1.073 20 L CA 2.196 56.823 54.840 -0.355 0.000 0.745 20 L CB -1.618 40.209 42.059 -0.386 0.000 0.894 20 L HN -0.082 nan 8.230 nan 0.000 0.432 21 A N -0.965 121.991 122.820 0.227 0.000 1.883 21 A HA -0.293 4.027 4.320 0.001 0.000 0.217 21 A C 2.184 179.816 177.584 0.080 0.000 1.186 21 A CA 2.037 54.191 52.037 0.197 0.000 0.624 21 A CB -0.697 18.463 19.000 0.267 0.000 0.822 21 A HN 0.692 nan 8.150 nan 0.000 0.444 22 Q N -1.007 118.849 119.800 0.093 0.000 2.096 22 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 22 Q C 1.865 177.915 176.000 0.084 0.000 0.982 22 Q CA 1.508 57.359 55.803 0.081 0.000 0.850 22 Q CB -0.248 28.543 28.738 0.087 0.000 0.901 22 Q HN 0.680 nan 8.270 nan 0.000 0.422 23 D N 0.552 121.023 120.400 0.118 0.000 2.117 23 D HA -0.108 4.533 4.640 0.001 0.000 0.198 23 D C 1.835 178.249 176.300 0.190 0.000 0.982 23 D CA 0.876 55.008 54.000 0.221 0.000 0.828 23 D CB -0.058 40.980 40.800 0.397 0.000 0.967 23 D HN 0.144 nan 8.370 nan 0.000 0.464 24 L N 0.259 121.442 121.223 -0.067 0.000 2.012 24 L HA -0.197 4.143 4.340 0.001 0.000 0.210 24 L C 2.695 179.358 176.870 -0.346 0.000 1.073 24 L CA 1.043 55.601 54.840 -0.470 0.000 0.748 24 L CB -0.420 41.307 42.059 -0.552 0.000 0.891 24 L HN 0.081 nan 8.230 nan 0.000 0.431 25 Q N 0.018 119.773 119.800 -0.074 0.000 2.050 25 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 25 Q C 2.112 178.122 176.000 0.017 0.000 0.980 25 Q CA 1.590 57.415 55.803 0.037 0.000 0.840 25 Q CB -0.215 28.565 28.738 0.071 0.000 0.898 25 Q HN 0.601 nan 8.270 nan 0.000 0.424 26 E N -0.333 119.887 120.200 0.033 0.000 2.072 26 E HA -0.108 4.243 4.350 0.001 0.000 0.191 26 E C 1.863 178.488 176.600 0.042 0.000 0.985 26 E CA 1.518 57.945 56.400 0.044 0.000 0.801 26 E CB 0.113 29.851 29.700 0.063 0.000 0.750 26 E HN 0.291 nan 8.360 nan 0.000 0.452 27 T N 0.630 115.226 114.554 0.071 0.000 2.953 27 T HA 0.045 4.395 4.350 0.001 0.000 0.247 27 T C 2.060 176.783 174.700 0.037 0.000 1.029 27 T CA 0.973 63.147 62.100 0.123 0.000 1.144 27 T CB 0.115 69.186 68.868 0.339 0.000 0.870 27 T HN 0.263 nan 8.240 nan 0.000 0.446 28 I N -3.269 117.237 120.570 -0.108 0.000 4.244 28 I HA 0.405 4.576 4.170 0.001 0.000 0.318 28 I C 1.504 177.535 176.117 -0.144 0.000 1.282 28 I CA 0.186 61.365 61.300 -0.201 0.000 1.276 28 I CB 0.003 37.843 38.000 -0.267 0.000 1.183 28 I HN 0.081 nan 8.210 nan 0.000 0.431 29 F N 1.109 121.034 119.950 -0.041 0.000 2.559 29 F HA 0.234 4.762 4.527 0.001 0.000 0.286 29 F C 0.642 176.396 175.800 -0.076 0.000 1.108 29 F CA -0.393 57.561 58.000 -0.077 0.000 1.436 29 F CB 0.130 39.074 39.000 -0.094 0.000 1.130 29 F HN -0.031 nan 8.300 nan 0.000 0.584 30 Q N 1.008 120.872 119.800 0.107 0.000 2.457 30 Q HA -0.304 4.037 4.340 0.001 0.000 0.283 30 Q C -0.172 175.849 176.000 0.034 0.000 1.234 30 Q CA 1.020 56.849 55.803 0.043 0.000 0.877 30 Q CB -2.608 26.132 28.738 0.003 0.000 1.250 30 Q HN 0.669 nan 8.270 nan 0.000 0.481 31 N N -1.930 116.809 118.700 0.065 0.000 2.741 31 N HA -0.209 4.532 4.740 0.001 0.000 0.251 31 N C -0.808 174.688 175.510 -0.022 0.000 1.112 31 N CA 1.114 54.176 53.050 0.020 0.000 0.750 31 N CB -0.188 38.301 38.487 0.004 0.000 1.119 31 N HN 0.438 nan 8.380 nan 0.000 0.561 32 E N -0.073 120.109 120.200 -0.030 0.000 2.221 32 E HA 0.272 4.622 4.350 0.001 0.000 0.268 32 E C -0.344 176.180 176.600 -0.127 0.000 0.933 32 E CA -0.608 55.739 56.400 -0.088 0.000 0.809 32 E CB 1.781 31.405 29.700 -0.127 0.000 1.190 32 E HN 0.209 nan 8.360 nan 0.000 0.406 33 c N 3.502 122.038 118.600 -0.107 0.000 2.687 33 c HA 0.454 5.024 4.570 0.001 0.000 0.465 33 c C 0.757 174.736 174.090 -0.186 0.000 1.304 33 c CA -0.257 56.023 56.329 -0.082 0.000 1.620 33 c CB -1.972 40.598 42.510 0.099 0.000 2.212 33 c HN 0.646 nan 8.230 nan 0.000 0.616 34 G N 0.668 109.258 108.800 -0.350 0.000 2.702 34 G HA2 0.325 4.285 3.960 0.001 0.000 0.254 34 G HA3 0.325 4.285 3.960 0.001 0.000 0.254 34 G C 0.593 175.159 174.900 -0.556 0.000 1.380 34 G CA 0.068 44.931 45.100 -0.395 0.000 1.042 34 G HN 0.398 nan 8.290 nan 0.000 0.557 35 E N -0.267 119.781 120.200 -0.254 0.000 2.049 35 E HA -0.166 4.185 4.350 0.001 0.000 0.198 35 E C 1.779 178.347 176.600 -0.053 0.000 1.007 35 E CA 2.244 58.576 56.400 -0.113 0.000 0.809 35 E CB -0.212 29.462 29.700 -0.045 0.000 0.749 35 E HN 0.378 nan 8.360 nan 0.000 0.450 36 D N -0.453 119.944 120.400 -0.005 0.000 2.144 36 D HA -0.050 4.590 4.640 0.001 0.000 0.200 36 D C 1.755 178.176 176.300 0.201 0.000 0.978 36 D CA 1.457 55.531 54.000 0.123 0.000 0.833 36 D CB -0.515 40.380 40.800 0.158 0.000 0.961 36 D HN 0.328 nan 8.370 nan 0.000 0.470 37 A N 0.408 123.247 122.820 0.032 0.000 1.877 37 A HA -0.229 4.091 4.320 0.001 0.000 0.216 37 A C 1.860 179.399 177.584 -0.076 0.000 1.186 37 A CA 1.633 53.479 52.037 -0.318 0.000 0.620 37 A CB -1.087 17.602 19.000 -0.518 0.000 0.822 37 A HN 0.405 nan 8.150 nan 0.000 0.443 38 H N -0.754 118.288 119.070 -0.046 0.000 2.352 38 H HA -0.112 4.444 4.556 0.001 0.000 0.299 38 H C 2.115 177.451 175.328 0.014 0.000 1.097 38 H CA 0.999 57.034 56.048 -0.022 0.000 1.311 38 H CB 0.087 29.830 29.762 -0.032 0.000 1.377 38 H HN 0.429 nan 8.280 nan 0.000 0.504 39 E N 0.604 120.900 120.200 0.160 0.000 2.077 39 E HA -0.120 4.230 4.350 0.001 0.000 0.193 39 E C 2.529 179.200 176.600 0.117 0.000 0.989 39 E CA 0.638 57.105 56.400 0.113 0.000 0.800 39 E CB -0.237 29.520 29.700 0.095 0.000 0.746 39 E HN 0.280 nan 8.360 nan 0.000 0.452 40 V N 1.488 121.487 119.914 0.141 0.000 2.427 40 V HA -0.221 3.900 4.120 0.001 0.000 0.248 40 V C 2.387 178.554 176.094 0.121 0.000 1.051 40 V CA 1.232 63.620 62.300 0.146 0.000 1.048 40 V CB -0.412 31.552 31.823 0.235 0.000 0.666 40 V HN 0.189 nan 8.190 nan 0.000 0.456 41 I N -0.164 120.465 120.570 0.099 0.000 2.226 41 I HA -0.274 3.896 4.170 0.001 0.000 0.245 41 I C 2.724 178.968 176.117 0.211 0.000 1.100 41 I CA 1.857 63.238 61.300 0.135 0.000 1.374 41 I CB -0.473 37.599 38.000 0.121 0.000 1.057 41 I HN 0.227 nan 8.210 nan 0.000 0.413 42 R N 1.065 121.688 120.500 0.204 0.000 2.091 42 R HA -0.228 4.112 4.340 0.001 0.000 0.238 42 R C 2.380 178.840 176.300 0.265 0.000 1.136 42 R CA 1.652 57.912 56.100 0.267 0.000 0.959 42 R CB -0.344 30.046 30.300 0.150 0.000 0.856 42 R HN 0.246 nan 8.270 nan 0.000 0.437 43 L N 1.369 122.681 121.223 0.149 0.000 2.083 43 L HA -0.157 4.184 4.340 0.001 0.000 0.209 43 L C 2.397 179.389 176.870 0.203 0.000 1.083 43 L CA 2.557 57.478 54.840 0.136 0.000 0.752 43 L CB -0.863 41.259 42.059 0.105 0.000 0.899 43 L HN 0.459 nan 8.230 nan 0.000 0.433 44 T N -2.892 111.794 114.554 0.220 0.000 2.720 44 T HA -0.318 4.032 4.350 0.001 0.000 0.268 44 T C 1.910 176.779 174.700 0.282 0.000 1.037 44 T CA 1.861 64.096 62.100 0.225 0.000 1.144 44 T CB -1.229 67.759 68.868 0.200 0.000 0.864 44 T HN 0.459 nan 8.240 nan 0.000 0.444 45 F N 1.382 121.449 119.950 0.194 0.000 2.128 45 F HA -0.026 4.501 4.527 0.001 0.000 0.295 45 F C 2.704 178.608 175.800 0.173 0.000 1.100 45 F CA 1.387 59.494 58.000 0.178 0.000 1.260 45 F CB -0.193 38.940 39.000 0.221 0.000 1.009 45 F HN 0.210 nan 8.300 nan 0.000 0.476 46 H N -0.940 118.016 119.070 -0.191 0.000 2.387 46 H HA -0.172 4.384 4.556 0.001 0.000 0.299 46 H C 1.582 176.819 175.328 -0.150 0.000 1.090 46 H CA 1.364 57.230 56.048 -0.304 0.000 1.332 46 H CB -0.216 29.484 29.762 -0.103 0.000 1.386 46 H HN 0.358 nan 8.280 nan 0.000 0.516 47 D N 0.720 121.178 120.400 0.097 0.000 2.084 47 D HA -0.095 4.546 4.640 0.001 0.000 0.194 47 D C 2.330 178.662 176.300 0.055 0.000 0.990 47 D CA 1.346 55.398 54.000 0.086 0.000 0.826 47 D CB -0.145 40.732 40.800 0.127 0.000 0.971 47 D HN 0.298 nan 8.370 nan 0.000 0.453 48 A N -0.063 122.800 122.820 0.072 0.000 1.930 48 A HA -0.061 4.260 4.320 0.001 0.000 0.217 48 A C 2.237 179.841 177.584 0.034 0.000 1.175 48 A CA 0.929 53.026 52.037 0.100 0.000 0.627 48 A CB -0.612 18.494 19.000 0.176 0.000 0.815 48 A HN 0.340 nan 8.150 nan 0.000 0.443 49 I N -0.332 120.173 120.570 -0.107 0.000 3.291 49 I HA 0.126 4.296 4.170 0.001 0.000 0.279 49 I C 1.423 177.442 176.117 -0.163 0.000 1.294 49 I CA 0.318 61.512 61.300 -0.176 0.000 1.428 49 I CB -0.158 37.552 38.000 -0.484 0.000 1.070 49 I HN 0.207 nan 8.210 nan 0.000 0.478 50 A N 1.845 124.591 122.820 -0.123 0.000 2.990 50 A HA 0.482 4.802 4.320 0.001 0.000 0.282 50 A C 0.074 177.639 177.584 -0.032 0.000 1.688 50 A CA -0.030 51.963 52.037 -0.074 0.000 1.391 50 A CB -0.867 18.111 19.000 -0.035 0.000 1.112 50 A HN 0.363 nan 8.150 nan 0.000 0.588 51 I N 0.237 120.786 120.570 -0.034 0.000 2.842 51 I HA 0.534 4.704 4.170 0.001 0.000 0.297 51 I C -1.052 175.055 176.117 -0.016 0.000 1.380 51 I CA -0.227 61.062 61.300 -0.018 0.000 1.018 51 I CB 2.192 40.189 38.000 -0.005 0.000 1.311 51 I HN 0.242 nan 8.210 nan 0.000 0.439 52 S N 5.377 121.069 115.700 -0.014 0.000 2.677 52 S HA 0.508 4.979 4.470 0.001 0.000 0.283 52 S C 0.493 175.090 174.600 -0.006 0.000 1.159 52 S CA -0.674 57.521 58.200 -0.008 0.000 1.001 52 S CB 1.729 64.920 63.200 -0.015 0.000 1.032 52 S HN 0.809 nan 8.310 nan 0.000 0.487 53 R N 1.902 122.403 120.500 0.001 0.000 2.081 53 R HA -0.074 4.266 4.340 0.001 0.000 0.235 53 R C 2.429 178.727 176.300 -0.002 0.000 1.131 53 R CA 2.032 58.131 56.100 -0.002 0.000 0.960 53 R CB -0.352 29.951 30.300 0.004 0.000 0.856 53 R HN 0.796 nan 8.270 nan 0.000 0.436 54 S N 0.533 116.233 115.700 0.001 0.000 2.387 54 S HA -0.144 4.326 4.470 0.001 0.000 0.226 54 S C 1.899 176.496 174.600 -0.005 0.000 1.026 54 S CA 0.733 58.933 58.200 0.000 0.000 0.972 54 S CB -0.112 63.091 63.200 0.004 0.000 0.814 54 S HN 0.327 nan 8.310 nan 0.000 0.477 55 Q N 1.146 120.941 119.800 -0.009 0.000 2.311 55 Q HA 0.328 4.668 4.340 0.001 0.000 0.203 55 Q C 1.174 177.166 176.000 -0.014 0.000 0.954 55 Q CA 0.365 56.160 55.803 -0.013 0.000 0.885 55 Q CB -0.246 28.481 28.738 -0.018 0.000 0.963 55 Q HN 0.769 nan 8.270 nan 0.000 0.471 56 G N 0.591 109.383 108.800 -0.014 0.000 2.757 56 G HA2 -0.194 3.767 3.960 0.001 0.000 0.638 56 G HA3 -0.194 3.767 3.960 0.001 0.000 0.638 56 G C -2.351 172.537 174.900 -0.020 0.000 1.344 56 G CA -0.515 44.575 45.100 -0.016 0.000 0.855 56 G HN -0.012 nan 8.290 nan 0.000 0.537 57 P HA 0.001 nan 4.420 nan 0.000 0.220 57 P C 1.616 178.900 177.300 -0.026 0.000 1.148 57 P CA 1.476 64.561 63.100 -0.026 0.000 0.803 57 P CB -0.003 31.682 31.700 -0.025 0.000 0.782 58 K N -0.436 119.949 120.400 -0.024 0.000 2.362 58 K HA 0.032 4.352 4.320 0.001 0.000 0.200 58 K C 1.943 178.525 176.600 -0.032 0.000 1.046 58 K CA 0.999 57.270 56.287 -0.028 0.000 0.952 58 K CB -0.348 32.139 32.500 -0.023 0.000 0.753 58 K HN 0.077 nan 8.250 nan 0.000 0.466 59 A N 1.313 124.116 122.820 -0.027 0.000 2.067 59 A HA 0.150 4.470 4.320 0.001 0.000 0.217 59 A C 0.876 178.446 177.584 -0.024 0.000 1.156 59 A CA 1.077 53.098 52.037 -0.026 0.000 0.683 59 A CB 0.101 19.086 19.000 -0.025 0.000 0.808 59 A HN 0.351 nan 8.150 nan 0.000 0.455 60 G N -3.770 105.013 108.800 -0.028 0.000 2.352 60 G HA2 0.428 4.389 3.960 0.001 0.000 0.303 60 G HA3 0.428 4.389 3.960 0.001 0.000 0.303 60 G C 0.164 175.049 174.900 -0.025 0.000 1.593 60 G CA -0.072 45.014 45.100 -0.024 0.000 0.963 60 G HN 0.822 nan 8.290 nan 0.000 0.685 61 G N -0.588 108.201 108.800 -0.017 0.000 3.337 61 G HA2 0.626 4.587 3.960 0.001 0.000 0.246 61 G HA3 0.626 4.587 3.960 0.001 0.000 0.246 61 G C 1.317 176.196 174.900 -0.035 0.000 1.131 61 G CA 1.475 46.555 45.100 -0.033 0.000 0.773 61 G HN 2.386 nan 8.290 nan 0.000 0.544 62 G N 0.295 109.095 108.800 0.000 0.000 2.527 62 G HA2 0.130 4.090 3.960 0.001 0.000 0.268 62 G HA3 0.130 4.090 3.960 0.001 0.000 0.268 62 G C 0.725 175.680 174.900 0.092 0.000 1.175 62 G CA 0.092 45.211 45.100 0.032 0.000 0.962 62 G HN 1.404 nan 8.290 nan 0.000 0.560 63 A N 1.272 124.190 122.820 0.162 0.000 2.981 63 A HA 0.515 4.836 4.320 0.001 0.000 0.280 63 A C 0.912 178.682 177.584 0.309 0.000 1.743 63 A CA 1.304 53.477 52.037 0.226 0.000 1.430 63 A CB -0.576 18.572 19.000 0.247 0.000 1.085 63 A HN 1.293 nan 8.150 nan 0.000 0.597 64 D N 0.089 120.623 120.400 0.224 0.000 2.539 64 D HA 0.196 4.837 4.640 0.001 0.000 0.232 64 D C 0.925 177.336 176.300 0.184 0.000 1.256 64 D CA 0.528 54.664 54.000 0.227 0.000 0.810 64 D CB -0.605 40.293 40.800 0.163 0.000 1.090 64 D HN 0.948 nan 8.370 nan 0.000 0.519 65 G N 1.118 110.019 108.800 0.168 0.000 2.153 65 G HA2 -0.388 3.573 3.960 0.001 0.000 0.252 65 G HA3 -0.388 3.573 3.960 0.001 0.000 0.252 65 G C 1.242 176.236 174.900 0.157 0.000 0.994 65 G CA 1.144 46.334 45.100 0.149 0.000 0.698 65 G HN 0.748 nan 8.290 nan 0.000 0.521 66 S N -0.751 115.059 115.700 0.182 0.000 2.400 66 S HA -0.082 4.388 4.470 0.001 0.000 0.232 66 S C 2.335 177.071 174.600 0.226 0.000 1.025 66 S CA 1.688 60.045 58.200 0.262 0.000 0.993 66 S CB -0.259 63.047 63.200 0.176 0.000 0.808 66 S HN 0.343 nan 8.310 nan 0.000 0.478 67 M N 1.184 120.865 119.600 0.135 0.000 2.159 67 M HA 0.075 4.555 4.480 0.001 0.000 0.263 67 M C 2.185 178.536 176.300 0.085 0.000 1.063 67 M CA 1.197 56.552 55.300 0.092 0.000 1.110 67 M CB -1.174 31.473 32.600 0.079 0.000 1.374 67 M HN 0.402 nan 8.290 nan 0.000 0.411 68 L N -0.938 120.336 121.223 0.086 0.000 2.162 68 L HA -0.093 4.247 4.340 0.001 0.000 0.205 68 L C 2.261 179.131 176.870 0.000 0.000 1.086 68 L CA 0.650 55.522 54.840 0.053 0.000 0.778 68 L CB -0.505 41.592 42.059 0.064 0.000 0.928 68 L HN 0.248 nan 8.230 nan 0.000 0.446 69 L N -1.307 119.905 121.223 -0.018 0.000 2.313 69 L HA -0.033 4.307 4.340 0.001 0.000 0.214 69 L C 0.235 176.797 176.870 -0.513 0.000 1.119 69 L CA 0.796 55.493 54.840 -0.239 0.000 0.809 69 L CB 0.107 42.024 42.059 -0.238 0.000 0.933 69 L HN 0.119 nan 8.230 nan 0.000 0.449 70 F N -0.274 119.676 119.950 -0.000 0.000 2.523 70 F HA 0.298 4.825 4.527 0.001 0.000 0.322 70 F C -1.600 174.178 175.800 -0.038 0.000 1.361 70 F CA -1.631 56.359 58.000 -0.017 0.000 1.151 70 F CB 0.409 39.397 39.000 -0.020 0.000 1.391 70 F HN -0.153 nan 8.300 nan 0.000 0.566 71 P HA -0.101 nan 4.420 nan 0.000 0.226 71 P C 1.342 178.650 177.300 0.014 0.000 1.153 71 P CA 1.200 64.319 63.100 0.031 0.000 0.777 71 P CB -0.028 31.681 31.700 0.014 0.000 0.794 72 T N -4.296 110.276 114.554 0.029 0.000 3.107 72 T HA 0.149 4.499 4.350 0.001 0.000 0.249 72 T C 1.433 176.118 174.700 -0.025 0.000 1.096 72 T CA 0.058 62.165 62.100 0.011 0.000 1.012 72 T CB -0.616 68.271 68.868 0.031 0.000 0.977 72 T HN -0.157 nan 8.240 nan 0.000 0.527 73 V N 1.503 121.382 119.914 -0.058 0.000 2.804 73 V HA 0.136 4.257 4.120 0.001 0.000 0.218 73 V C 2.505 178.250 176.094 -0.582 0.000 1.159 73 V CA 0.714 62.906 62.300 -0.181 0.000 1.223 73 V CB -0.534 31.233 31.823 -0.093 0.000 0.917 73 V HN 0.323 nan 8.190 nan 0.000 0.510 74 E N 0.759 120.550 120.200 -0.681 0.000 2.118 74 E HA -0.178 4.172 4.350 0.001 0.000 0.195 74 E C -0.589 175.636 176.600 -0.625 0.000 0.992 74 E CA 1.725 57.462 56.400 -1.104 0.000 0.804 74 E CB -1.129 28.298 29.700 -0.454 0.000 0.741 74 E HN 0.527 nan 8.360 nan 0.000 0.458 75 P HA -0.122 nan 4.420 nan 0.000 0.221 75 P C 0.748 178.001 177.300 -0.079 0.000 1.145 75 P CA 1.099 64.132 63.100 -0.113 0.000 0.795 75 P CB 0.072 31.740 31.700 -0.053 0.000 0.775 76 N N -1.909 116.714 118.700 -0.128 0.000 2.336 76 N HA 0.034 4.774 4.740 0.001 0.000 0.189 76 N C -0.154 175.440 175.510 0.140 0.000 1.113 76 N CA -0.056 52.996 53.050 0.003 0.000 0.858 76 N CB -0.299 38.193 38.487 0.008 0.000 0.970 76 N HN -0.136 nan 8.380 nan 0.000 0.471 77 F N 0.716 120.693 119.950 0.044 0.000 2.506 77 F HA 0.065 4.593 4.527 0.001 0.000 0.351 77 F C 2.176 178.005 175.800 0.048 0.000 1.136 77 F CA -0.961 57.062 58.000 0.039 0.000 1.298 77 F CB 0.204 39.224 39.000 0.033 0.000 1.145 77 F HN 0.005 nan 8.300 nan 0.000 0.593 78 S N 1.457 117.293 115.700 0.227 0.000 2.383 78 S HA -0.200 4.270 4.470 0.001 0.000 0.229 78 S C 1.927 176.620 174.600 0.154 0.000 1.030 78 S CA 0.849 59.137 58.200 0.145 0.000 1.002 78 S CB -0.810 62.445 63.200 0.093 0.000 0.829 78 S HN 0.673 nan 8.310 nan 0.000 0.467 79 A N 1.970 124.893 122.820 0.171 0.000 2.172 79 A HA 0.094 4.414 4.320 0.001 0.000 0.216 79 A C 1.660 179.392 177.584 0.248 0.000 1.154 79 A CA 0.897 53.038 52.037 0.174 0.000 0.701 79 A CB -0.418 18.657 19.000 0.124 0.000 0.789 79 A HN 0.550 nan 8.150 nan 0.000 0.465 80 N N 0.534 119.384 118.700 0.250 0.000 2.251 80 N HA 0.015 4.755 4.740 0.001 0.000 0.217 80 N C -0.210 175.375 175.510 0.124 0.000 1.124 80 N CA -0.141 53.047 53.050 0.230 0.000 0.843 80 N CB -0.199 38.401 38.487 0.188 0.000 1.024 80 N HN 0.371 nan 8.380 nan 0.000 0.501 81 N N 0.876 119.652 118.700 0.127 0.000 2.411 81 N HA 0.073 4.813 4.740 0.001 0.000 0.261 81 N C 1.338 176.885 175.510 0.062 0.000 1.248 81 N CA 1.578 54.681 53.050 0.088 0.000 0.885 81 N CB 0.224 38.766 38.487 0.092 0.000 1.062 81 N HN 0.409 nan 8.380 nan 0.000 0.471 82 G N 3.502 112.327 108.800 0.042 0.000 2.217 82 G HA2 -0.234 3.726 3.960 0.001 0.000 0.246 82 G HA3 -0.234 3.726 3.960 0.001 0.000 0.246 82 G C 0.939 175.841 174.900 0.003 0.000 0.990 82 G CA 0.209 45.325 45.100 0.027 0.000 0.627 82 G HN 0.548 nan 8.290 nan 0.000 0.522 83 I N 2.739 123.297 120.570 -0.020 0.000 2.676 83 I HA -0.052 4.118 4.170 0.001 0.000 0.259 83 I C 2.608 178.725 176.117 0.000 0.000 1.194 83 I CA 2.103 63.375 61.300 -0.047 0.000 1.473 83 I CB -0.867 37.087 38.000 -0.077 0.000 1.096 83 I HN 0.505 nan 8.210 nan 0.000 0.443 84 D N 0.978 121.387 120.400 0.015 0.000 2.158 84 D HA -0.266 4.374 4.640 0.001 0.000 0.197 84 D C 1.438 177.765 176.300 0.045 0.000 0.995 84 D CA 1.416 55.433 54.000 0.029 0.000 0.846 84 D CB -0.613 40.205 40.800 0.029 0.000 0.941 84 D HN 0.231 nan 8.370 nan 0.000 0.456 85 D N 0.350 120.777 120.400 0.045 0.000 2.097 85 D HA -0.143 4.497 4.640 0.001 0.000 0.195 85 D C 2.357 178.706 176.300 0.081 0.000 0.989 85 D CA 2.334 56.370 54.000 0.059 0.000 0.827 85 D CB -0.433 40.396 40.800 0.049 0.000 0.966 85 D HN 0.441 nan 8.370 nan 0.000 0.456 86 S N 0.071 115.816 115.700 0.075 0.000 2.368 86 S HA -0.106 4.365 4.470 0.001 0.000 0.224 86 S C 2.290 176.954 174.600 0.108 0.000 1.029 86 S CA 0.899 59.158 58.200 0.098 0.000 0.988 86 S CB -0.723 62.529 63.200 0.087 0.000 0.838 86 S HN 0.085 nan 8.310 nan 0.000 0.462 87 V N 3.421 123.385 119.914 0.084 0.000 2.295 87 V HA -0.178 3.942 4.120 0.001 0.000 0.246 87 V C 2.538 178.693 176.094 0.102 0.000 1.049 87 V CA 2.106 64.457 62.300 0.085 0.000 1.024 87 V CB -1.046 30.812 31.823 0.057 0.000 0.648 87 V HN 0.496 nan 8.190 nan 0.000 0.447 88 N N 0.550 119.312 118.700 0.104 0.000 2.244 88 N HA -0.118 4.622 4.740 0.001 0.000 0.183 88 N C 1.631 177.267 175.510 0.210 0.000 1.016 88 N CA 1.063 54.189 53.050 0.126 0.000 0.866 88 N CB -0.513 38.044 38.487 0.115 0.000 0.980 88 N HN 0.450 nan 8.380 nan 0.000 0.430 89 N N 0.559 119.406 118.700 0.244 0.000 2.270 89 N HA 0.042 4.782 4.740 0.001 0.000 0.181 89 N C 1.637 177.392 175.510 0.409 0.000 1.016 89 N CA 0.384 53.670 53.050 0.393 0.000 0.870 89 N CB -0.021 38.631 38.487 0.276 0.000 0.979 89 N HN 0.290 nan 8.380 nan 0.000 0.431 90 L N -0.061 121.323 121.223 0.269 0.000 2.307 90 L HA 0.161 4.501 4.340 0.001 0.000 0.211 90 L C 1.898 178.923 176.870 0.257 0.000 1.099 90 L CA 0.158 55.170 54.840 0.287 0.000 0.816 90 L CB -0.076 42.077 42.059 0.156 0.000 0.952 90 L HN 0.050 nan 8.230 nan 0.000 0.455 91 I N 0.870 121.523 120.570 0.139 0.000 2.194 91 I HA -0.238 3.932 4.170 0.001 0.000 0.246 91 I C -0.386 175.725 176.117 -0.010 0.000 1.093 91 I CA 1.661 62.995 61.300 0.055 0.000 1.355 91 I CB -1.221 36.789 38.000 0.017 0.000 1.046 91 I HN 0.212 nan 8.210 nan 0.000 0.413 92 P HA -0.149 nan 4.420 nan 0.000 0.218 92 P C 1.465 178.582 177.300 -0.305 0.000 1.149 92 P CA 1.523 64.414 63.100 -0.349 0.000 0.817 92 P CB -0.079 31.172 31.700 -0.749 0.000 0.785 93 F N -1.529 118.391 119.950 -0.050 0.000 2.206 93 F HA -0.018 4.509 4.527 0.001 0.000 0.298 93 F C 2.603 178.453 175.800 0.084 0.000 1.090 93 F CA 1.028 59.072 58.000 0.072 0.000 1.323 93 F CB -0.993 38.038 39.000 0.052 0.000 1.028 93 F HN -0.167 nan 8.300 nan 0.000 0.492 94 M N 0.161 119.882 119.600 0.202 0.000 2.108 94 M HA -0.294 4.187 4.480 0.001 0.000 0.261 94 M C 2.052 178.376 176.300 0.040 0.000 1.066 94 M CA 1.924 57.289 55.300 0.110 0.000 1.107 94 M CB -0.239 32.406 32.600 0.075 0.000 1.356 94 M HN 0.218 nan 8.290 nan 0.000 0.406 95 Q N -0.267 119.523 119.800 -0.016 0.000 2.119 95 Q HA -0.196 4.145 4.340 0.001 0.000 0.201 95 Q C 2.061 178.006 176.000 -0.092 0.000 0.972 95 Q CA 1.639 57.402 55.803 -0.065 0.000 0.847 95 Q CB -0.112 28.564 28.738 -0.104 0.000 0.903 95 Q HN 0.561 nan 8.270 nan 0.000 0.433 96 K N 0.110 120.439 120.400 -0.117 0.000 2.044 96 K HA -0.054 4.267 4.320 0.001 0.000 0.204 96 K C 0.543 176.977 176.600 -0.276 0.000 1.045 96 K CA 0.605 56.757 56.287 -0.226 0.000 0.951 96 K CB 0.296 32.607 32.500 -0.315 0.000 0.738 96 K HN 0.204 nan 8.250 nan 0.000 0.443 97 H N 2.063 121.110 119.070 -0.039 0.000 2.680 97 H HA 0.034 4.591 4.556 0.001 0.000 0.224 97 H C -0.129 175.159 175.328 -0.066 0.000 1.866 97 H CA -0.047 55.972 56.048 -0.047 0.000 1.302 97 H CB -0.106 29.645 29.762 -0.018 0.000 1.709 97 H HN 0.392 nan 8.280 nan 0.000 0.537 98 N N 0.178 118.860 118.700 -0.030 0.000 2.313 98 N HA -0.083 4.658 4.740 0.001 0.000 0.207 98 N C 1.092 176.580 175.510 -0.036 0.000 1.141 98 N CA 0.002 53.034 53.050 -0.030 0.000 0.830 98 N CB -0.083 38.374 38.487 -0.049 0.000 1.008 98 N HN 0.290 nan 8.380 nan 0.000 0.481 99 T N -3.034 111.490 114.554 -0.050 0.000 3.069 99 T HA 0.350 4.701 4.350 0.001 0.000 0.252 99 T C 0.511 175.161 174.700 -0.084 0.000 1.053 99 T CA -0.267 61.796 62.100 -0.062 0.000 0.964 99 T CB -0.060 68.765 68.868 -0.072 0.000 1.005 99 T HN 0.106 nan 8.240 nan 0.000 0.532 100 I N 3.262 123.776 120.570 -0.094 0.000 2.378 100 I HA 0.352 4.522 4.170 0.001 0.000 0.291 100 I C 0.477 176.601 176.117 0.012 0.000 0.992 100 I CA -1.015 60.221 61.300 -0.107 0.000 1.154 100 I CB 1.913 39.736 38.000 -0.294 0.000 1.315 100 I HN 0.246 nan 8.210 nan 0.000 0.448 101 S N 4.669 120.407 115.700 0.063 0.000 2.576 101 S HA 0.188 4.659 4.470 0.001 0.000 0.272 101 S C 1.342 176.007 174.600 0.108 0.000 1.352 101 S CA -0.051 58.196 58.200 0.080 0.000 1.021 101 S CB 1.430 64.683 63.200 0.088 0.000 0.887 101 S HN 0.753 nan 8.310 nan 0.000 0.542 102 A N 2.720 125.597 122.820 0.094 0.000 1.917 102 A HA 0.037 4.357 4.320 0.001 0.000 0.219 102 A C 2.455 180.124 177.584 0.143 0.000 1.182 102 A CA 2.108 54.210 52.037 0.108 0.000 0.633 102 A CB -1.735 17.314 19.000 0.082 0.000 0.819 102 A HN 1.424 nan 8.150 nan 0.000 0.448 103 A N -0.144 122.765 122.820 0.148 0.000 1.877 103 A HA -0.195 4.126 4.320 0.001 0.000 0.216 103 A C 1.802 179.509 177.584 0.205 0.000 1.186 103 A CA 2.014 54.152 52.037 0.168 0.000 0.620 103 A CB -0.655 18.442 19.000 0.161 0.000 0.822 103 A HN 0.457 nan 8.150 nan 0.000 0.443 104 D N -0.565 119.973 120.400 0.231 0.000 2.117 104 D HA -0.114 4.526 4.640 0.001 0.000 0.197 104 D C 1.843 178.407 176.300 0.441 0.000 0.987 104 D CA 1.200 55.436 54.000 0.394 0.000 0.829 104 D CB -0.410 40.676 40.800 0.478 0.000 0.961 104 D HN 0.341 nan 8.370 nan 0.000 0.460 105 L N 0.526 121.932 121.223 0.306 0.000 2.012 105 L HA -0.167 4.174 4.340 0.001 0.000 0.210 105 L C 2.136 179.140 176.870 0.222 0.000 1.073 105 L CA 1.479 56.470 54.840 0.250 0.000 0.748 105 L CB -0.616 41.544 42.059 0.169 0.000 0.891 105 L HN -0.095 nan 8.230 nan 0.000 0.431 106 V N -0.238 119.795 119.914 0.200 0.000 2.255 106 V HA -0.299 3.822 4.120 0.001 0.000 0.247 106 V C 2.731 178.934 176.094 0.182 0.000 1.051 106 V CA 1.960 64.363 62.300 0.173 0.000 1.018 106 V CB -0.746 31.176 31.823 0.165 0.000 0.641 106 V HN 0.544 nan 8.190 nan 0.000 0.445 107 Q N -1.113 118.832 119.800 0.241 0.000 2.079 107 Q HA -0.157 4.183 4.340 0.001 0.000 0.200 107 Q C 2.068 178.172 176.000 0.174 0.000 0.974 107 Q CA 1.826 57.782 55.803 0.254 0.000 0.840 107 Q CB -0.585 28.362 28.738 0.348 0.000 0.898 107 Q HN 0.694 nan 8.270 nan 0.000 0.430 108 F N 1.170 121.069 119.950 -0.085 0.000 2.146 108 F HA -0.171 4.356 4.527 0.001 0.000 0.298 108 F C 2.171 177.846 175.800 -0.208 0.000 1.096 108 F CA 1.284 58.973 58.000 -0.518 0.000 1.275 108 F CB -0.059 38.532 39.000 -0.683 0.000 1.008 108 F HN 0.073 nan 8.300 nan 0.000 0.480 109 A N 0.293 123.090 122.820 -0.040 0.000 1.933 109 A HA -0.097 4.223 4.320 0.001 0.000 0.218 109 A C 2.415 179.963 177.584 -0.059 0.000 1.175 109 A CA 1.699 53.716 52.037 -0.034 0.000 0.628 109 A CB -1.799 17.240 19.000 0.066 0.000 0.814 109 A HN 0.513 nan 8.150 nan 0.000 0.444 110 G N -0.573 108.205 108.800 -0.037 0.000 2.418 110 G HA2 0.012 3.972 3.960 0.001 0.000 0.217 110 G HA3 0.012 3.972 3.960 0.001 0.000 0.217 110 G C 1.739 176.553 174.900 -0.143 0.000 1.158 110 G CA 1.403 46.473 45.100 -0.050 0.000 0.771 110 G HN 0.794 nan 8.290 nan 0.000 0.545 111 A N 0.139 122.840 122.820 -0.198 0.000 1.902 111 A HA 0.074 4.394 4.320 0.001 0.000 0.217 111 A C 2.612 179.988 177.584 -0.346 0.000 1.181 111 A CA 1.844 53.733 52.037 -0.246 0.000 0.623 111 A CB -0.618 18.227 19.000 -0.259 0.000 0.818 111 A HN 0.255 nan 8.150 nan 0.000 0.443 112 V N -0.104 119.515 119.914 -0.492 0.000 2.295 112 V HA -0.252 3.868 4.120 0.001 0.000 0.246 112 V C 3.078 178.949 176.094 -0.371 0.000 1.049 112 V CA 1.962 64.016 62.300 -0.410 0.000 1.024 112 V CB -1.349 30.242 31.823 -0.386 0.000 0.648 112 V HN 0.621 nan 8.190 nan 0.000 0.447 113 A N -0.183 122.312 122.820 -0.542 0.000 1.883 113 A HA -0.247 4.073 4.320 0.001 0.000 0.217 113 A C 2.195 179.510 177.584 -0.449 0.000 1.186 113 A CA 2.315 53.836 52.037 -0.859 0.000 0.624 113 A CB -0.694 17.756 19.000 -0.915 0.000 0.822 113 A HN 0.455 nan 8.150 nan 0.000 0.444 114 L N 0.811 121.853 121.223 -0.301 0.000 2.131 114 L HA -0.146 4.194 4.340 0.001 0.000 0.210 114 L C 2.760 179.483 176.870 -0.246 0.000 1.092 114 L CA 2.450 57.145 54.840 -0.242 0.000 0.759 114 L CB -0.479 41.467 42.059 -0.190 0.000 0.903 114 L HN 0.544 nan 8.230 nan 0.000 0.435 115 S N -1.096 114.468 115.700 -0.228 0.000 2.442 115 S HA -0.146 4.324 4.470 0.001 0.000 0.236 115 S C 1.641 176.154 174.600 -0.145 0.000 1.007 115 S CA 1.187 59.281 58.200 -0.177 0.000 0.965 115 S CB -0.745 62.361 63.200 -0.157 0.000 0.773 115 S HN 0.564 nan 8.310 nan 0.000 0.504 116 N N 0.636 119.237 118.700 -0.164 0.000 2.461 116 N HA 0.124 4.865 4.740 0.001 0.000 0.188 116 N C -0.488 174.976 175.510 -0.076 0.000 1.134 116 N CA 0.227 53.206 53.050 -0.118 0.000 0.878 116 N CB -0.389 38.009 38.487 -0.149 0.000 0.972 116 N HN 0.430 nan 8.380 nan 0.000 0.456 117 c N 2.821 121.374 118.600 -0.079 0.000 2.246 117 c HA 0.348 4.919 4.570 0.001 0.000 0.329 117 c C -2.157 171.934 174.090 0.001 0.000 1.221 117 c CA -1.818 54.508 56.329 -0.004 0.000 1.697 117 c CB 0.759 43.283 42.510 0.024 0.000 2.312 117 c HN 0.140 nan 8.230 nan 0.000 0.509 118 P HA 0.190 nan 4.420 nan 0.000 0.261 118 P C 1.010 178.346 177.300 0.060 0.000 1.183 118 P CA 1.876 64.994 63.100 0.029 0.000 0.761 118 P CB 0.282 32.003 31.700 0.036 0.000 0.785 119 G N 1.964 110.784 108.800 0.035 0.000 2.217 119 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 119 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 119 G C 0.471 175.395 174.900 0.039 0.000 0.990 119 G CA -0.016 45.125 45.100 0.068 0.000 0.627 119 G HN 0.839 nan 8.290 nan 0.000 0.522 120 A N 1.703 124.440 122.820 -0.138 0.000 2.425 120 A HA 0.664 4.985 4.320 0.001 0.000 0.242 120 A C -0.993 176.430 177.584 -0.268 0.000 1.077 120 A CA -0.175 51.544 52.037 -0.531 0.000 0.781 120 A CB 0.294 18.877 19.000 -0.695 0.000 1.020 120 A HN 0.322 nan 8.150 nan 0.000 0.494 121 P HA 0.187 nan 4.420 nan 0.000 0.274 121 P C -0.698 176.547 177.300 -0.092 0.000 1.246 121 P CA -0.532 62.517 63.100 -0.085 0.000 0.795 121 P CB 0.572 32.272 31.700 0.001 0.000 1.006 122 R N 1.805 122.277 120.500 -0.046 0.000 2.308 122 R HA 0.283 4.624 4.340 0.001 0.000 0.325 122 R C 0.077 176.369 176.300 -0.013 0.000 1.161 122 R CA -0.464 55.614 56.100 -0.036 0.000 1.022 122 R CB -0.670 29.620 30.300 -0.017 0.000 1.091 122 R HN 0.474 nan 8.270 nan 0.000 0.497 123 L N 2.862 124.074 121.223 -0.018 0.000 2.483 123 L HA 0.054 4.394 4.340 0.001 0.000 0.276 123 L C 0.957 177.858 176.870 0.051 0.000 1.213 123 L CA 0.307 55.151 54.840 0.008 0.000 0.843 123 L CB 0.449 42.511 42.059 0.005 0.000 1.107 123 L HN 0.604 nan 8.230 nan 0.000 0.487 124 E N 1.886 122.114 120.200 0.048 0.000 2.442 124 E HA -0.034 4.317 4.350 0.001 0.000 0.262 124 E C -1.379 175.305 176.600 0.141 0.000 1.004 124 E CA -0.025 56.414 56.400 0.065 0.000 0.928 124 E CB 0.542 30.257 29.700 0.025 0.000 0.937 124 E HN 0.335 nan 8.360 nan 0.000 0.446 125 F N 6.095 126.031 119.950 -0.022 0.000 2.612 125 F HA 0.343 4.870 4.527 0.001 0.000 0.332 125 F C -1.642 174.104 175.800 -0.090 0.000 1.167 125 F CA -0.783 57.195 58.000 -0.037 0.000 0.970 125 F CB 0.625 39.629 39.000 0.006 0.000 1.234 125 F HN 0.304 nan 8.300 nan 0.000 0.453 126 L N 5.705 126.463 121.223 -0.775 0.000 2.325 126 L HA 0.895 5.235 4.340 0.001 0.000 0.279 126 L C 0.042 176.232 176.870 -1.134 0.000 1.054 126 L CA -0.905 53.496 54.840 -0.731 0.000 0.804 126 L CB 1.451 43.288 42.059 -0.371 0.000 1.200 126 L HN 0.736 nan 8.230 nan 0.000 0.436 127 A N 0.766 123.109 122.820 -0.796 0.000 2.387 127 A HA 0.836 5.156 4.320 0.001 0.000 0.303 127 A C 0.481 177.917 177.584 -0.246 0.000 1.145 127 A CA 0.100 51.818 52.037 -0.532 0.000 0.801 127 A CB 1.646 20.425 19.000 -0.369 0.000 1.342 127 A HN 0.974 nan 8.150 nan 0.000 0.440 128 G N -0.238 108.503 108.800 -0.097 0.000 2.154 128 G HA2 -0.145 3.816 3.960 0.001 0.000 0.186 128 G HA3 -0.145 3.816 3.960 0.001 0.000 0.186 128 G C 0.110 174.959 174.900 -0.086 0.000 1.000 128 G CA -0.043 45.017 45.100 -0.067 0.000 0.664 128 G HN 0.829 nan 8.290 nan 0.000 0.513 129 R N 0.898 121.316 120.500 -0.137 0.000 2.537 129 R HA 0.396 4.737 4.340 0.001 0.000 0.280 129 R C -2.160 174.150 176.300 0.017 0.000 1.058 129 R CA -1.190 54.805 56.100 -0.174 0.000 1.057 129 R CB 0.288 30.420 30.300 -0.280 0.000 0.973 129 R HN 0.137 nan 8.270 nan 0.000 0.438 130 P HA -0.013 nan 4.420 nan 0.000 0.270 130 P C -0.212 177.147 177.300 0.100 0.000 1.223 130 P CA -0.035 63.121 63.100 0.094 0.000 0.785 130 P CB 0.542 32.309 31.700 0.111 0.000 0.923 131 N N 0.172 118.916 118.700 0.074 0.000 2.276 131 N HA 0.057 4.797 4.740 0.001 0.000 0.212 131 N C -0.602 174.945 175.510 0.062 0.000 1.127 131 N CA 0.193 53.282 53.050 0.065 0.000 0.834 131 N CB -0.158 38.353 38.487 0.040 0.000 1.014 131 N HN 0.232 nan 8.380 nan 0.000 0.491 132 K N -0.939 119.511 120.400 0.082 0.000 2.378 132 K HA 0.499 4.819 4.320 0.001 0.000 0.252 132 K C -0.773 175.906 176.600 0.132 0.000 0.931 132 K CA -0.694 55.648 56.287 0.092 0.000 0.794 132 K CB 2.332 34.876 32.500 0.072 0.000 1.181 132 K HN -0.116 nan 8.250 nan 0.000 0.425 133 T N 0.996 115.668 114.554 0.196 0.000 2.630 133 T HA 0.602 4.953 4.350 0.001 0.000 0.300 133 T C -1.677 173.192 174.700 0.283 0.000 1.261 133 T CA -0.727 61.497 62.100 0.207 0.000 1.060 133 T CB 0.640 69.624 68.868 0.193 0.000 1.670 133 T HN 0.577 nan 8.240 nan 0.000 0.473 134 I N -0.109 120.527 120.570 0.110 0.000 2.957 134 I HA 0.943 5.113 4.170 0.001 0.000 0.310 134 I C -0.066 175.739 176.117 -0.520 0.000 1.063 134 I CA -1.533 59.634 61.300 -0.222 0.000 1.033 134 I CB 1.812 39.725 38.000 -0.145 0.000 1.230 134 I HN 0.685 nan 8.210 nan 0.000 0.447 135 A N 2.848 125.017 122.820 -1.085 0.000 2.440 135 A HA 0.706 5.027 4.320 0.001 0.000 0.251 135 A C 0.465 177.902 177.584 -0.244 0.000 1.089 135 A CA 0.011 51.642 52.037 -0.677 0.000 0.779 135 A CB 0.074 18.656 19.000 -0.696 0.000 1.022 135 A HN 1.110 nan 8.150 nan 0.000 0.492 136 A N 1.665 124.435 122.820 -0.083 0.000 2.313 136 A HA 0.538 4.859 4.320 0.001 0.000 0.261 136 A C 0.684 178.350 177.584 0.138 0.000 1.090 136 A CA 0.207 52.255 52.037 0.019 0.000 0.807 136 A CB -0.106 18.926 19.000 0.053 0.000 1.055 136 A HN 2.103 nan 8.150 nan 0.000 0.492 137 V N -0.758 119.213 119.914 0.095 0.000 3.036 137 V HA 0.428 4.549 4.120 0.001 0.000 0.308 137 V C 0.254 176.334 176.094 -0.022 0.000 1.070 137 V CA -0.815 61.519 62.300 0.057 0.000 1.056 137 V CB 0.892 32.695 31.823 -0.033 0.000 1.084 137 V HN 0.829 nan 8.190 nan 0.000 0.471 138 D N 0.911 121.038 120.400 -0.455 0.000 2.360 138 D HA 0.475 5.116 4.640 0.001 0.000 0.242 138 D C 1.167 177.279 176.300 -0.314 0.000 1.184 138 D CA 1.345 54.864 54.000 -0.802 0.000 0.930 138 D CB 1.111 41.183 40.800 -1.213 0.000 1.161 138 D HN 1.452 nan 8.370 nan 0.000 0.447 139 G N 1.128 109.790 108.800 -0.231 0.000 2.175 139 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 139 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 139 G C 1.050 175.898 174.900 -0.086 0.000 0.982 139 G CA 0.444 45.468 45.100 -0.126 0.000 0.641 139 G HN 0.464 nan 8.290 nan 0.000 0.527 140 L N 0.486 121.660 121.223 -0.081 0.000 2.585 140 L HA 0.371 4.711 4.340 0.001 0.000 0.226 140 L C 0.644 177.420 176.870 -0.157 0.000 1.113 140 L CA -0.039 54.744 54.840 -0.096 0.000 0.876 140 L CB 0.069 42.081 42.059 -0.078 0.000 1.072 140 L HN 0.121 nan 8.230 nan 0.000 0.468 141 I N 1.194 121.677 120.570 -0.144 0.000 2.321 141 I HA 0.323 4.493 4.170 0.001 0.000 0.291 141 I C -2.075 173.974 176.117 -0.113 0.000 0.998 141 I CA -2.601 58.556 61.300 -0.238 0.000 1.227 141 I CB 0.663 38.528 38.000 -0.226 0.000 1.368 141 I HN -0.248 nan 8.210 nan 0.000 0.466 142 P HA 0.159 nan 4.420 nan 0.000 0.267 142 P C -0.508 176.858 177.300 0.110 0.000 1.200 142 P CA 0.045 63.189 63.100 0.073 0.000 0.772 142 P CB 0.790 32.616 31.700 0.210 0.000 0.855 143 E N 3.258 123.523 120.200 0.109 0.000 2.277 143 E HA 0.215 4.565 4.350 0.001 0.000 0.266 143 E C -1.714 174.955 176.600 0.116 0.000 0.901 143 E CA -1.911 54.559 56.400 0.117 0.000 0.782 143 E CB 1.516 31.267 29.700 0.086 0.000 1.228 143 E HN 0.311 nan 8.360 nan 0.000 0.424 144 P HA -0.183 nan 4.420 nan 0.000 0.226 144 P C 0.950 178.290 177.300 0.068 0.000 1.153 144 P CA 1.074 64.227 63.100 0.089 0.000 0.777 144 P CB 0.353 32.098 31.700 0.076 0.000 0.794 145 Q N -0.536 119.303 119.800 0.065 0.000 2.451 145 Q HA 0.009 4.349 4.340 0.001 0.000 0.206 145 Q C -0.205 175.828 176.000 0.055 0.000 0.947 145 Q CA 0.599 56.434 55.803 0.054 0.000 0.937 145 Q CB -0.725 28.040 28.738 0.045 0.000 1.025 145 Q HN 0.182 nan 8.270 nan 0.000 0.511 146 D N 2.762 123.200 120.400 0.064 0.000 2.362 146 D HA 0.077 4.718 4.640 0.001 0.000 0.242 146 D C 0.115 176.451 176.300 0.061 0.000 1.132 146 D CA 0.163 54.200 54.000 0.062 0.000 0.907 146 D CB 1.126 41.971 40.800 0.075 0.000 1.195 146 D HN 0.289 nan 8.370 nan 0.000 0.429 147 S N -0.076 115.657 115.700 0.054 0.000 2.600 147 S HA 0.110 4.581 4.470 0.001 0.000 0.265 147 S C 1.378 176.010 174.600 0.053 0.000 1.325 147 S CA -0.870 57.360 58.200 0.049 0.000 1.002 147 S CB 0.976 64.201 63.200 0.042 0.000 0.921 147 S HN 0.208 nan 8.310 nan 0.000 0.554 148 V N 1.979 121.917 119.914 0.040 0.000 2.332 148 V HA -0.180 3.940 4.120 0.001 0.000 0.248 148 V C 2.806 178.933 176.094 0.053 0.000 1.055 148 V CA 2.526 64.849 62.300 0.038 0.000 1.038 148 V CB -1.677 30.153 31.823 0.013 0.000 0.651 148 V HN 1.051 nan 8.190 nan 0.000 0.450 149 T N -0.474 114.109 114.554 0.047 0.000 2.684 149 T HA -0.290 4.061 4.350 0.001 0.000 0.267 149 T C 1.967 176.708 174.700 0.068 0.000 1.036 149 T CA 2.089 64.221 62.100 0.053 0.000 1.148 149 T CB -0.229 68.664 68.868 0.041 0.000 0.863 149 T HN 0.488 nan 8.240 nan 0.000 0.436 150 K N 0.525 120.965 120.400 0.066 0.000 2.057 150 K HA -0.029 4.291 4.320 0.001 0.000 0.207 150 K C 2.266 178.931 176.600 0.109 0.000 1.049 150 K CA 1.215 57.546 56.287 0.073 0.000 0.931 150 K CB -0.292 32.243 32.500 0.059 0.000 0.714 150 K HN 0.306 nan 8.250 nan 0.000 0.440 151 I N 1.195 121.845 120.570 0.133 0.000 2.179 151 I HA -0.313 3.858 4.170 0.001 0.000 0.242 151 I C 2.227 178.522 176.117 0.298 0.000 1.088 151 I CA 1.186 62.619 61.300 0.223 0.000 1.357 151 I CB -0.212 37.903 38.000 0.192 0.000 1.051 151 I HN 0.190 nan 8.210 nan 0.000 0.409 152 L N 0.025 121.359 121.223 0.185 0.000 2.083 152 L HA -0.225 4.115 4.340 0.001 0.000 0.209 152 L C 2.697 179.693 176.870 0.210 0.000 1.083 152 L CA 1.124 56.072 54.840 0.180 0.000 0.752 152 L CB -0.698 41.424 42.059 0.104 0.000 0.899 152 L HN 0.387 nan 8.230 nan 0.000 0.433 153 Q N 0.764 120.658 119.800 0.156 0.000 2.124 153 Q HA -0.246 4.094 4.340 0.001 0.000 0.202 153 Q C 2.253 178.339 176.000 0.143 0.000 0.977 153 Q CA 1.604 57.485 55.803 0.129 0.000 0.850 153 Q CB -0.023 28.766 28.738 0.086 0.000 0.901 153 Q HN 0.264 nan 8.270 nan 0.000 0.429 154 R N -0.367 120.221 120.500 0.148 0.000 2.073 154 R HA -0.101 4.240 4.340 0.001 0.000 0.234 154 R C 2.180 178.540 176.300 0.099 0.000 1.134 154 R CA 1.760 57.907 56.100 0.078 0.000 0.952 154 R CB -0.895 29.418 30.300 0.021 0.000 0.850 154 R HN 0.262 nan 8.270 nan 0.000 0.433 155 F N 0.619 120.650 119.950 0.136 0.000 2.186 155 F HA -0.051 4.477 4.527 0.001 0.000 0.299 155 F C 2.420 178.407 175.800 0.312 0.000 1.090 155 F CA 1.761 59.897 58.000 0.226 0.000 1.307 155 F CB -0.281 38.802 39.000 0.138 0.000 1.019 155 F HN 0.261 nan 8.300 nan 0.000 0.489 156 E N 0.311 120.733 120.200 0.370 0.000 2.072 156 E HA -0.278 4.072 4.350 0.001 0.000 0.191 156 E C 1.732 178.429 176.600 0.161 0.000 0.985 156 E CA 1.610 58.153 56.400 0.239 0.000 0.801 156 E CB -0.163 29.637 29.700 0.166 0.000 0.750 156 E HN 0.358 nan 8.360 nan 0.000 0.452 157 D N -0.327 120.152 120.400 0.132 0.000 2.178 157 D HA -0.084 4.556 4.640 0.001 0.000 0.202 157 D C 1.777 178.119 176.300 0.072 0.000 0.974 157 D CA 1.385 55.430 54.000 0.076 0.000 0.841 157 D CB -0.046 40.785 40.800 0.051 0.000 0.953 157 D HN 0.271 nan 8.370 nan 0.000 0.478 158 A N -0.594 122.291 122.820 0.109 0.000 1.898 158 A HA 0.237 4.557 4.320 0.001 0.000 0.216 158 A C 2.007 179.659 177.584 0.112 0.000 1.181 158 A CA 1.637 53.737 52.037 0.105 0.000 0.620 158 A CB -0.316 18.750 19.000 0.110 0.000 0.819 158 A HN 0.371 nan 8.150 nan 0.000 0.442 159 G N -3.543 105.331 108.800 0.123 0.000 4.818 159 G HA2 0.451 4.411 3.960 0.001 0.000 0.253 159 G HA3 0.451 4.411 3.960 0.001 0.000 0.253 159 G C 0.878 175.591 174.900 -0.312 0.000 0.986 159 G CA 0.728 45.744 45.100 -0.141 0.000 0.785 159 G HN 1.607 nan 8.290 nan 0.000 0.325 160 G N 0.138 108.890 108.800 -0.079 0.000 2.160 160 G HA2 -0.301 3.660 3.960 0.001 0.000 0.251 160 G HA3 -0.301 3.660 3.960 0.001 0.000 0.251 160 G C 0.259 175.129 174.900 -0.049 0.000 1.008 160 G CA 0.024 45.089 45.100 -0.058 0.000 0.724 160 G HN 0.491 nan 8.290 nan 0.000 0.514 161 F N 1.815 121.850 119.950 0.140 0.000 2.529 161 F HA 0.417 4.944 4.527 0.001 0.000 0.365 161 F C 1.742 177.607 175.800 0.108 0.000 1.102 161 F CA 0.601 58.684 58.000 0.138 0.000 1.271 161 F CB 0.674 39.797 39.000 0.206 0.000 1.120 161 F HN 0.214 nan 8.300 nan 0.000 0.579 162 T N 0.651 115.370 114.554 0.275 0.000 2.849 162 T HA 0.224 4.574 4.350 0.001 0.000 0.284 162 T C -1.937 172.863 174.700 0.166 0.000 1.004 162 T CA -1.759 60.460 62.100 0.197 0.000 1.021 162 T CB 1.388 70.369 68.868 0.187 0.000 1.013 162 T HN 0.274 nan 8.240 nan 0.000 0.527 163 P HA -0.043 nan 4.420 nan 0.000 0.216 163 P C 1.211 178.555 177.300 0.073 0.000 1.150 163 P CA 0.649 63.791 63.100 0.068 0.000 0.837 163 P CB -0.145 31.602 31.700 0.078 0.000 0.786 164 F N 1.193 121.157 119.950 0.024 0.000 2.095 164 F HA -0.204 4.324 4.527 0.000 0.000 0.298 164 F C 1.960 177.785 175.800 0.043 0.000 1.104 164 F CA 1.715 59.731 58.000 0.028 0.000 1.232 164 F CB -0.582 38.439 39.000 0.035 0.000 0.987 164 F HN -0.077 nan 8.300 nan 0.000 0.475 165 E N -0.367 119.894 120.200 0.102 0.000 2.110 165 E HA -0.172 4.178 4.350 0.001 0.000 0.193 165 E C 2.308 178.786 176.600 -0.204 0.000 0.988 165 E CA 1.436 57.848 56.400 0.020 0.000 0.804 165 E CB -0.309 29.575 29.700 0.308 0.000 0.745 165 E HN 0.307 nan 8.360 nan 0.000 0.458 166 V N 0.855 120.599 119.914 -0.284 0.000 2.261 166 V HA -0.249 3.871 4.120 0.001 0.000 0.246 166 V C 2.325 178.162 176.094 -0.428 0.000 1.047 166 V CA 1.494 63.420 62.300 -0.622 0.000 1.015 166 V CB -0.438 30.966 31.823 -0.698 0.000 0.642 166 V HN 0.144 nan 8.190 nan 0.000 0.446 167 V N -0.123 119.649 119.914 -0.237 0.000 2.407 167 V HA -0.232 3.888 4.120 0.001 0.000 0.248 167 V C 2.561 178.570 176.094 -0.141 0.000 1.055 167 V CA 2.157 64.407 62.300 -0.082 0.000 1.049 167 V CB -0.745 31.108 31.823 0.050 0.000 0.662 167 V HN 0.549 nan 8.190 nan 0.000 0.455 168 S N 0.248 115.775 115.700 -0.290 0.000 2.374 168 S HA -0.176 4.295 4.470 0.001 0.000 0.227 168 S C 1.896 176.401 174.600 -0.159 0.000 1.037 168 S CA 1.626 59.587 58.200 -0.398 0.000 1.024 168 S CB -0.417 62.526 63.200 -0.429 0.000 0.861 168 S HN 0.490 nan 8.310 nan 0.000 0.456 169 L N 0.808 121.928 121.223 -0.172 0.000 2.201 169 L HA -0.012 4.329 4.340 0.001 0.000 0.212 169 L C 1.828 178.667 176.870 -0.052 0.000 1.105 169 L CA 0.764 55.563 54.840 -0.068 0.000 0.775 169 L CB -0.413 41.466 42.059 -0.300 0.000 0.913 169 L HN 0.283 nan 8.230 nan 0.000 0.440 170 L N -0.496 120.595 121.223 -0.220 0.000 2.622 170 L HA -0.053 4.287 4.340 0.001 0.000 0.233 170 L C 2.578 179.235 176.870 -0.355 0.000 1.156 170 L CA 0.162 54.791 54.840 -0.352 0.000 0.866 170 L CB -0.485 41.387 42.059 -0.311 0.000 0.980 170 L HN 0.208 nan 8.230 nan 0.000 0.448 171 A N 0.232 122.905 122.820 -0.245 0.000 2.024 171 A HA -0.239 4.081 4.320 0.001 0.000 0.220 171 A C 2.508 179.692 177.584 -0.665 0.000 1.164 171 A CA 1.822 53.569 52.037 -0.482 0.000 0.643 171 A CB -0.527 18.131 19.000 -0.570 0.000 0.806 171 A HN 0.554 nan 8.150 nan 0.000 0.451 172 S N -0.502 114.984 115.700 -0.356 0.000 2.419 172 S HA -0.262 4.208 4.470 0.001 0.000 0.235 172 S C 1.499 176.077 174.600 -0.036 0.000 1.019 172 S CA 1.480 59.602 58.200 -0.131 0.000 0.982 172 S CB -1.105 62.164 63.200 0.115 0.000 0.789 172 S HN 0.801 nan 8.310 nan 0.000 0.490 173 H N 0.418 119.351 119.070 -0.227 0.000 2.563 173 H HA 0.175 4.731 4.556 0.001 0.000 0.272 173 H C 2.056 177.243 175.328 -0.234 0.000 1.005 173 H CA 0.459 56.447 56.048 -0.100 0.000 1.171 173 H CB 0.037 29.792 29.762 -0.011 0.000 1.351 173 H HN 0.507 nan 8.280 nan 0.000 0.602 174 S N 0.891 116.393 115.700 -0.330 0.000 2.481 174 S HA -0.067 4.403 4.470 0.001 0.000 0.231 174 S C 1.214 175.613 174.600 -0.335 0.000 0.996 174 S CA 0.756 58.712 58.200 -0.406 0.000 0.942 174 S CB 0.005 62.812 63.200 -0.654 0.000 0.768 174 S HN 0.327 nan 8.310 nan 0.000 0.520 175 V N -0.968 118.752 119.914 -0.322 0.000 2.562 175 V HA 0.891 5.011 4.120 0.001 0.000 0.274 175 V C -0.439 175.161 176.094 -0.823 0.000 1.075 175 V CA -0.291 61.749 62.300 -0.434 0.000 1.204 175 V CB -0.124 31.618 31.823 -0.135 0.000 1.478 175 V HN 0.312 nan 8.190 nan 0.000 0.622 176 A N 1.918 124.324 122.820 -0.691 0.000 2.520 176 A HA 0.973 5.294 4.320 0.001 0.000 0.298 176 A C -0.541 176.484 177.584 -0.931 0.000 1.051 176 A CA -0.893 50.723 52.037 -0.702 0.000 0.690 176 A CB 2.110 20.856 19.000 -0.423 0.000 1.281 176 A HN 0.591 nan 8.150 nan 0.000 0.402 177 R N 0.114 120.101 120.500 -0.853 0.000 2.836 177 R HA 0.817 5.158 4.340 0.001 0.000 0.269 177 R C -0.792 175.111 176.300 -0.662 0.000 1.010 177 R CA -0.780 54.829 56.100 -0.819 0.000 0.930 177 R CB 2.490 32.573 30.300 -0.361 0.000 1.218 177 R HN 1.001 nan 8.270 nan 0.000 0.473 178 A N 0.598 123.162 122.820 -0.426 0.000 2.331 178 A HA 0.412 4.732 4.320 0.001 0.000 0.320 178 A C -0.588 176.984 177.584 -0.020 0.000 1.138 178 A CA -0.638 51.334 52.037 -0.108 0.000 0.790 178 A CB 0.837 19.907 19.000 0.117 0.000 1.206 178 A HN 0.765 nan 8.150 nan 0.000 0.470 179 D N 0.949 121.358 120.400 0.015 0.000 2.422 179 D HA 0.048 4.688 4.640 0.001 0.000 0.218 179 D C 0.853 177.181 176.300 0.046 0.000 1.047 179 D CA 0.657 54.676 54.000 0.032 0.000 0.885 179 D CB 0.517 41.337 40.800 0.032 0.000 1.035 179 D HN 0.449 nan 8.370 nan 0.000 0.502 180 K N 0.447 120.883 120.400 0.061 0.000 2.391 180 K HA 0.188 4.509 4.320 0.001 0.000 0.197 180 K C 1.985 178.628 176.600 0.071 0.000 1.087 180 K CA 0.076 56.401 56.287 0.064 0.000 1.012 180 K CB 0.579 33.122 32.500 0.070 0.000 0.925 180 K HN -0.027 nan 8.250 nan 0.000 0.547 181 V N 1.754 121.722 119.914 0.089 0.000 2.343 181 V HA -0.145 3.975 4.120 0.001 0.000 0.247 181 V C 0.966 177.101 176.094 0.067 0.000 1.051 181 V CA 1.527 63.882 62.300 0.092 0.000 1.036 181 V CB -0.172 31.726 31.823 0.125 0.000 0.654 181 V HN 0.301 nan 8.190 nan 0.000 0.451 182 D N -0.129 120.308 120.400 0.063 0.000 2.408 182 D HA 0.142 4.782 4.640 0.001 0.000 0.243 182 D C 0.938 177.259 176.300 0.034 0.000 1.075 182 D CA -0.453 53.573 54.000 0.043 0.000 0.832 182 D CB 1.791 42.621 40.800 0.049 0.000 1.162 182 D HN 0.302 nan 8.370 nan 0.000 0.515 183 Q N 1.979 121.793 119.800 0.023 0.000 2.436 183 Q HA -0.078 4.263 4.340 0.001 0.000 0.209 183 Q C 1.281 177.290 176.000 0.016 0.000 0.965 183 Q CA 0.831 56.646 55.803 0.021 0.000 0.910 183 Q CB -0.455 28.292 28.738 0.016 0.000 0.980 183 Q HN 0.499 nan 8.270 nan 0.000 0.491 184 T N -1.422 113.140 114.554 0.014 0.000 3.065 184 T HA 0.316 4.667 4.350 0.001 0.000 0.252 184 T C 1.087 175.794 174.700 0.012 0.000 1.099 184 T CA -0.053 62.053 62.100 0.010 0.000 1.063 184 T CB -0.268 68.603 68.868 0.005 0.000 0.948 184 T HN 0.416 nan 8.240 nan 0.000 0.506 185 I N -0.990 119.591 120.570 0.019 0.000 2.969 185 I HA 0.746 4.917 4.170 0.001 0.000 0.307 185 I C -1.864 174.268 176.117 0.024 0.000 1.149 185 I CA -1.302 60.009 61.300 0.018 0.000 1.008 185 I CB 2.517 40.533 38.000 0.026 0.000 1.232 185 I HN -0.001 nan 8.210 nan 0.000 0.435 186 D N 3.884 124.296 120.400 0.021 0.000 2.490 186 D HA 0.548 5.189 4.640 0.001 0.000 0.232 186 D C 0.130 176.463 176.300 0.055 0.000 1.053 186 D CA -0.130 53.892 54.000 0.037 0.000 0.914 186 D CB 2.107 42.932 40.800 0.042 0.000 1.431 186 D HN 1.344 nan 8.370 nan 0.000 0.483 187 A N 0.073 122.926 122.820 0.056 0.000 2.739 187 A HA 0.110 4.431 4.320 0.001 0.000 0.296 187 A C 0.402 177.992 177.584 0.011 0.000 1.488 187 A CA 0.638 52.711 52.037 0.060 0.000 0.746 187 A CB -2.177 16.954 19.000 0.219 0.000 1.047 187 A HN 1.336 nan 8.150 nan 0.000 0.477 188 A N 1.197 123.995 122.820 -0.037 0.000 2.350 188 A HA 0.637 4.958 4.320 0.001 0.000 0.293 188 A C -1.388 176.100 177.584 -0.161 0.000 1.231 188 A CA -1.000 51.016 52.037 -0.036 0.000 0.883 188 A CB 0.186 19.205 19.000 0.032 0.000 1.133 188 A HN 0.535 nan 8.150 nan 0.000 0.533 189 P HA 0.210 nan 4.420 nan 0.000 0.277 189 P C -0.131 177.097 177.300 -0.120 0.000 1.240 189 P CA -0.242 62.687 63.100 -0.286 0.000 0.798 189 P CB 0.578 32.142 31.700 -0.227 0.000 0.979 190 F N 0.177 120.016 119.950 -0.184 0.000 2.664 190 F HA 0.098 4.625 4.527 0.000 0.000 0.296 190 F C 1.218 176.935 175.800 -0.139 0.000 1.125 190 F CA 0.236 58.140 58.000 -0.159 0.000 1.444 190 F CB -0.526 38.345 39.000 -0.216 0.000 1.114 190 F HN 0.300 nan 8.300 nan 0.000 0.576 191 D N -2.492 117.898 120.400 -0.018 0.000 2.610 191 D HA 0.164 4.804 4.640 0.001 0.000 0.271 191 D C 0.569 176.814 176.300 -0.093 0.000 1.174 191 D CA -0.264 53.702 54.000 -0.057 0.000 0.949 191 D CB 0.691 41.432 40.800 -0.100 0.000 1.430 191 D HN -0.158 nan 8.370 nan 0.000 0.467 192 S N -1.623 114.036 115.700 -0.068 0.000 2.607 192 S HA 0.080 4.550 4.470 0.001 0.000 0.224 192 S C 0.670 175.220 174.600 -0.084 0.000 0.969 192 S CA 0.623 58.788 58.200 -0.058 0.000 0.927 192 S CB -1.014 62.175 63.200 -0.019 0.000 0.772 192 S HN 0.755 nan 8.310 nan 0.000 0.533 193 T N -1.132 113.345 114.554 -0.130 0.000 3.658 193 T HA 0.428 4.778 4.350 0.001 0.000 0.245 193 T C -2.260 172.293 174.700 -0.245 0.000 1.292 193 T CA -1.269 60.751 62.100 -0.133 0.000 1.598 193 T CB 1.361 70.186 68.868 -0.073 0.000 0.861 193 T HN 0.044 nan 8.240 nan 0.000 0.663 194 P HA 0.118 nan 4.420 nan 0.000 0.242 194 P C 0.180 177.143 177.300 -0.561 0.000 1.197 194 P CA 0.157 62.893 63.100 -0.607 0.000 0.765 194 P CB -0.277 30.965 31.700 -0.763 0.000 0.936 195 F N -0.511 119.465 119.950 0.042 0.000 2.653 195 F HA 0.268 4.795 4.527 0.000 0.000 0.304 195 F C 0.637 176.461 175.800 0.041 0.000 1.092 195 F CA -0.061 57.981 58.000 0.071 0.000 1.279 195 F CB -0.389 38.621 39.000 0.017 0.000 1.044 195 F HN -0.266 nan 8.300 nan 0.000 0.564 196 T N 0.154 114.760 114.554 0.087 0.000 2.879 196 T HA 0.255 4.606 4.350 0.001 0.000 0.290 196 T C -0.969 173.747 174.700 0.027 0.000 0.993 196 T CA -0.372 61.768 62.100 0.067 0.000 0.975 196 T CB 1.341 70.229 68.868 0.034 0.000 0.981 196 T HN -0.033 nan 8.240 nan 0.000 0.439 197 F N 5.587 125.480 119.950 -0.094 0.000 2.605 197 F HA 0.276 4.804 4.527 0.001 0.000 0.352 197 F C 0.260 175.976 175.800 -0.139 0.000 1.236 197 F CA -0.646 57.259 58.000 -0.157 0.000 1.267 197 F CB -0.369 38.519 39.000 -0.186 0.000 1.632 197 F HN 0.595 nan 8.300 nan 0.000 0.639 198 D N -0.352 119.914 120.400 -0.223 0.000 2.689 198 D HA 0.217 4.857 4.640 0.001 0.000 0.255 198 D C 0.721 176.882 176.300 -0.232 0.000 1.113 198 D CA -0.391 53.510 54.000 -0.164 0.000 1.115 198 D CB 0.540 41.287 40.800 -0.087 0.000 1.334 198 D HN 0.085 nan 8.370 nan 0.000 0.621 199 T N -3.015 111.465 114.554 -0.124 0.000 3.144 199 T HA -0.002 4.348 4.350 0.001 0.000 0.249 199 T C 1.050 175.732 174.700 -0.031 0.000 1.089 199 T CA -0.052 62.027 62.100 -0.035 0.000 0.989 199 T CB -0.061 68.796 68.868 -0.018 0.000 0.992 199 T HN 0.186 nan 8.240 nan 0.000 0.540 200 Q N 0.920 120.659 119.800 -0.102 0.000 2.135 200 Q HA -0.056 4.284 4.340 0.001 0.000 0.204 200 Q C 2.410 178.351 176.000 -0.098 0.000 0.981 200 Q CA 1.169 56.919 55.803 -0.088 0.000 0.856 200 Q CB -0.995 27.689 28.738 -0.089 0.000 0.902 200 Q HN 0.526 nan 8.270 nan 0.000 0.425 201 V N 0.365 120.152 119.914 -0.212 0.000 2.392 201 V HA -0.259 3.862 4.120 0.001 0.000 0.249 201 V C 1.901 177.863 176.094 -0.221 0.000 1.059 201 V CA 1.579 63.726 62.300 -0.255 0.000 1.051 201 V CB -0.491 31.080 31.823 -0.420 0.000 0.658 201 V HN 0.217 nan 8.190 nan 0.000 0.455 202 F N -0.850 119.000 119.950 -0.168 0.000 2.134 202 F HA -0.133 4.394 4.527 0.000 0.000 0.299 202 F C 2.282 178.198 175.800 0.194 0.000 1.097 202 F CA 1.813 59.687 58.000 -0.211 0.000 1.264 202 F CB -0.498 38.185 39.000 -0.528 0.000 1.001 202 F HN 0.140 nan 8.300 nan 0.000 0.479 203 L N 0.700 122.052 121.223 0.215 0.000 1.994 203 L HA -0.205 4.136 4.340 0.001 0.000 0.208 203 L C 1.985 178.970 176.870 0.191 0.000 1.071 203 L CA 2.155 57.110 54.840 0.191 0.000 0.745 203 L CB -0.784 41.276 42.059 0.002 0.000 0.892 203 L HN 0.247 nan 8.230 nan 0.000 0.431 204 E N -0.798 119.478 120.200 0.127 0.000 2.208 204 E HA -0.140 4.211 4.350 0.001 0.000 0.193 204 E C 2.148 178.835 176.600 0.144 0.000 0.988 204 E CA 0.837 57.304 56.400 0.112 0.000 0.828 204 E CB 0.090 29.825 29.700 0.058 0.000 0.763 204 E HN 0.365 nan 8.360 nan 0.000 0.478 205 V N 1.293 121.326 119.914 0.198 0.000 2.759 205 V HA -0.188 3.933 4.120 0.001 0.000 0.256 205 V C 1.929 178.104 176.094 0.135 0.000 1.080 205 V CA 1.219 63.615 62.300 0.160 0.000 1.101 205 V CB -0.259 31.665 31.823 0.169 0.000 0.698 205 V HN 0.298 nan 8.190 nan 0.000 0.477 206 L N -0.526 120.804 121.223 0.179 0.000 2.599 206 L HA 0.142 4.482 4.340 0.001 0.000 0.230 206 L C 0.646 177.616 176.870 0.167 0.000 1.141 206 L CA 0.243 55.171 54.840 0.147 0.000 0.877 206 L CB -0.179 41.997 42.059 0.195 0.000 1.009 206 L HN 0.260 nan 8.230 nan 0.000 0.447 207 L N 0.257 121.578 121.223 0.165 0.000 2.418 207 L HA 0.186 4.526 4.340 0.001 0.000 0.265 207 L C 0.803 177.741 176.870 0.114 0.000 1.143 207 L CA -0.380 54.543 54.840 0.138 0.000 0.809 207 L CB 0.542 42.685 42.059 0.140 0.000 1.124 207 L HN -0.022 nan 8.230 nan 0.000 0.456 208 K N 1.729 122.172 120.400 0.072 0.000 2.451 208 K HA 0.082 4.403 4.320 0.001 0.000 0.280 208 K C 0.005 176.602 176.600 -0.005 0.000 1.020 208 K CA -0.136 56.174 56.287 0.038 0.000 1.008 208 K CB 0.819 33.324 32.500 0.009 0.000 0.917 208 K HN 0.783 nan 8.250 nan 0.000 0.478 209 G N 1.935 110.703 108.800 -0.054 0.000 2.442 209 G HA2 0.282 4.242 3.960 0.001 0.000 0.249 209 G HA3 0.282 4.242 3.960 0.001 0.000 0.249 209 G C 0.674 175.486 174.900 -0.146 0.000 1.263 209 G CA -0.286 44.727 45.100 -0.145 0.000 0.846 209 G HN 0.562 nan 8.290 nan 0.000 0.555 210 V N -0.241 119.578 119.914 -0.158 0.000 3.451 210 V HA 0.724 4.845 4.120 0.001 0.000 0.288 210 V C 0.808 176.826 176.094 -0.126 0.000 1.502 210 V CA 0.922 63.155 62.300 -0.111 0.000 1.026 210 V CB -0.059 31.728 31.823 -0.060 0.000 0.840 210 V HN 1.398 nan 8.190 nan 0.000 0.437 211 G N -0.185 108.472 108.800 -0.238 0.000 2.341 211 G HA2 0.537 4.498 3.960 0.001 0.000 0.299 211 G HA3 0.537 4.498 3.960 0.001 0.000 0.299 211 G C -2.090 172.553 174.900 -0.428 0.000 1.274 211 G CA -0.617 44.371 45.100 -0.186 0.000 0.853 211 G HN 0.108 nan 8.290 nan 0.000 0.493 212 F N 0.473 120.414 119.950 -0.014 0.000 2.551 212 F HA 0.558 5.086 4.527 0.001 0.000 0.316 212 F C -1.285 174.514 175.800 -0.001 0.000 1.089 212 F CA -1.735 56.258 58.000 -0.011 0.000 0.915 212 F CB 2.809 41.800 39.000 -0.015 0.000 1.186 212 F HN 0.260 nan 8.300 nan 0.000 0.456 213 P HA 0.076 nan 4.420 nan 0.000 0.225 213 P C 0.497 177.856 177.300 0.099 0.000 1.156 213 P CA 1.076 64.238 63.100 0.103 0.000 0.787 213 P CB 0.699 32.448 31.700 0.083 0.000 0.802 214 G N -0.004 108.869 108.800 0.123 0.000 3.259 214 G HA2 0.341 4.301 3.960 0.001 0.000 0.193 214 G HA3 0.341 4.301 3.960 0.001 0.000 0.193 214 G C -0.473 174.455 174.900 0.046 0.000 1.457 214 G CA 0.230 45.372 45.100 0.069 0.000 0.771 214 G HN 0.284 nan 8.290 nan 0.000 0.765 215 S N -0.341 115.352 115.700 -0.011 0.000 2.652 215 S HA 0.583 5.054 4.470 0.001 0.000 0.270 215 S C 0.870 175.287 174.600 -0.305 0.000 1.243 215 S CA 0.422 58.558 58.200 -0.108 0.000 0.999 215 S CB 1.721 64.870 63.200 -0.086 0.000 0.973 215 S HN 1.311 nan 8.310 nan 0.000 0.544 216 A N 0.903 123.416 122.820 -0.513 0.000 2.308 216 A HA 0.211 4.532 4.320 0.001 0.000 0.217 216 A C 0.890 178.028 177.584 -0.742 0.000 1.216 216 A CA 0.036 51.394 52.037 -1.132 0.000 0.864 216 A CB -0.782 17.734 19.000 -0.807 0.000 0.902 216 A HN 0.898 nan 8.150 nan 0.000 0.499 217 N N -0.455 118.010 118.700 -0.391 0.000 2.338 217 N HA 0.118 4.858 4.740 0.001 0.000 0.251 217 N C -0.973 174.457 175.510 -0.132 0.000 1.199 217 N CA -0.452 52.469 53.050 -0.214 0.000 0.879 217 N CB -0.843 37.560 38.487 -0.140 0.000 1.159 217 N HN 0.337 nan 8.380 nan 0.000 0.514 218 N N -0.406 118.221 118.700 -0.121 0.000 2.430 218 N HA 0.283 5.023 4.740 0.001 0.000 0.292 218 N C -0.808 174.695 175.510 -0.012 0.000 1.051 218 N CA -0.550 52.474 53.050 -0.043 0.000 0.917 218 N CB 1.076 39.558 38.487 -0.009 0.000 1.164 218 N HN -0.023 nan 8.380 nan 0.000 0.484 219 T N 1.154 115.709 114.554 0.003 0.000 2.934 219 T HA 0.219 4.569 4.350 0.001 0.000 0.306 219 T C 1.451 176.172 174.700 0.035 0.000 1.042 219 T CA 1.049 63.160 62.100 0.018 0.000 1.145 219 T CB 0.322 69.204 68.868 0.022 0.000 0.982 219 T HN 0.851 nan 8.240 nan 0.000 0.544 220 G N 2.292 111.114 108.800 0.036 0.000 2.159 220 G HA2 -0.229 3.732 3.960 0.001 0.000 0.256 220 G HA3 -0.229 3.732 3.960 0.001 0.000 0.256 220 G C -0.087 174.837 174.900 0.038 0.000 0.977 220 G CA 0.419 45.545 45.100 0.043 0.000 0.652 220 G HN 0.823 nan 8.290 nan 0.000 0.531 221 E N -0.355 119.875 120.200 0.049 0.000 2.256 221 E HA 0.680 5.030 4.350 0.001 0.000 0.267 221 E C 0.216 176.875 176.600 0.100 0.000 0.892 221 E CA -0.417 56.029 56.400 0.077 0.000 0.775 221 E CB 2.452 32.229 29.700 0.128 0.000 1.207 221 E HN 0.737 nan 8.360 nan 0.000 0.420 222 V N -0.354 119.585 119.914 0.041 0.000 3.158 222 V HA 0.872 4.992 4.120 0.001 0.000 0.311 222 V C -0.163 175.793 176.094 -0.230 0.000 1.181 222 V CA -0.829 61.439 62.300 -0.054 0.000 1.054 222 V CB 1.033 32.633 31.823 -0.371 0.000 1.085 222 V HN 0.834 nan 8.190 nan 0.000 0.446 223 A N 1.117 123.613 122.820 -0.541 0.000 2.498 223 A HA 0.577 4.897 4.320 0.001 0.000 0.239 223 A C 0.499 177.764 177.584 -0.532 0.000 1.068 223 A CA 0.740 52.183 52.037 -0.990 0.000 0.766 223 A CB 0.095 18.648 19.000 -0.746 0.000 1.003 223 A HN 1.605 nan 8.150 nan 0.000 0.497 224 S N 2.107 117.521 115.700 -0.477 0.000 2.608 224 S HA 0.621 5.091 4.470 0.001 0.000 0.291 224 S C -1.622 172.883 174.600 -0.158 0.000 1.146 224 S CA -1.419 56.647 58.200 -0.224 0.000 1.043 224 S CB 1.257 64.367 63.200 -0.151 0.000 1.037 224 S HN 0.542 nan 8.310 nan 0.000 0.520 225 P HA 0.194 nan 4.420 nan 0.000 0.240 225 P C -0.033 177.257 177.300 -0.016 0.000 1.190 225 P CA 0.441 63.522 63.100 -0.031 0.000 0.781 225 P CB 0.045 31.757 31.700 0.021 0.000 0.931 226 L N 1.278 122.491 121.223 -0.017 0.000 2.725 226 L HA 0.323 4.663 4.340 0.001 0.000 0.270 226 L C -1.796 175.071 176.870 -0.004 0.000 1.422 226 L CA -1.259 53.581 54.840 0.000 0.000 0.770 226 L CB 1.673 43.742 42.059 0.015 0.000 1.081 226 L HN -0.196 nan 8.230 nan 0.000 0.527 227 P HA -0.060 nan 4.420 nan 0.000 0.245 227 P C 0.568 177.878 177.300 0.017 0.000 1.206 227 P CA 0.070 63.168 63.100 -0.004 0.000 0.781 227 P CB 0.541 32.229 31.700 -0.021 0.000 0.994 228 L N 1.094 122.326 121.223 0.014 0.000 2.455 228 L HA 0.469 4.809 4.340 0.001 0.000 0.272 228 L C 0.341 177.223 176.870 0.021 0.000 1.174 228 L CA 0.506 55.357 54.840 0.018 0.000 0.869 228 L CB -0.082 41.987 42.059 0.016 0.000 1.130 228 L HN -0.027 nan 8.230 nan 0.000 0.474 229 G N 2.430 111.243 108.800 0.021 0.000 2.680 229 G HA2 0.660 4.620 3.960 0.001 0.000 0.290 229 G HA3 0.660 4.620 3.960 0.001 0.000 0.290 229 G C -1.670 173.237 174.900 0.013 0.000 1.355 229 G CA -0.412 44.699 45.100 0.019 0.000 0.903 229 G HN 0.715 nan 8.290 nan 0.000 0.474 230 S N -1.064 114.641 115.700 0.007 0.000 2.562 230 S HA 0.629 5.099 4.470 0.001 0.000 0.274 230 S C 0.587 175.180 174.600 -0.010 0.000 1.160 230 S CA 1.056 59.257 58.200 0.002 0.000 0.933 230 S CB 0.730 63.934 63.200 0.007 0.000 1.100 230 S HN 2.649 nan 8.310 nan 0.000 0.468 231 G N 3.720 112.508 108.800 -0.020 0.000 2.583 231 G HA2 -0.323 3.637 3.960 0.001 0.000 0.292 231 G HA3 -0.323 3.637 3.960 0.001 0.000 0.292 231 G C 1.068 175.922 174.900 -0.076 0.000 1.203 231 G CA 1.127 46.204 45.100 -0.039 0.000 0.987 231 G HN 2.013 nan 8.290 nan 0.000 0.554 232 S N 0.086 115.712 115.700 -0.124 0.000 2.603 232 S HA 0.216 4.686 4.470 0.001 0.000 0.220 232 S C 0.478 174.951 174.600 -0.211 0.000 0.967 232 S CA 1.217 59.246 58.200 -0.285 0.000 0.920 232 S CB 0.280 63.176 63.200 -0.507 0.000 0.773 232 S HN 0.490 nan 8.310 nan 0.000 0.529 233 D N 3.538 123.911 120.400 -0.046 0.000 2.508 233 D HA 0.234 4.875 4.640 0.001 0.000 0.224 233 D C -0.269 176.049 176.300 0.030 0.000 1.171 233 D CA 0.259 54.286 54.000 0.044 0.000 1.006 233 D CB 0.354 41.189 40.800 0.058 0.000 1.073 233 D HN 0.230 nan 8.370 nan 0.000 0.513 234 T N 0.374 114.949 114.554 0.036 0.000 2.926 234 T HA 0.362 4.712 4.350 0.001 0.000 0.307 234 T C 1.166 175.885 174.700 0.031 0.000 1.059 234 T CA -0.466 61.651 62.100 0.028 0.000 1.122 234 T CB 1.141 70.029 68.868 0.033 0.000 0.972 234 T HN 0.303 nan 8.240 nan 0.000 0.545 235 G N 1.014 109.831 108.800 0.029 0.000 2.667 235 G HA2 0.265 4.226 3.960 0.001 0.000 0.250 235 G HA3 0.265 4.226 3.960 0.001 0.000 0.250 235 G C -0.172 174.745 174.900 0.027 0.000 1.212 235 G CA -0.589 44.526 45.100 0.026 0.000 0.874 235 G HN 0.820 nan 8.290 nan 0.000 0.561 236 E N -0.277 119.936 120.200 0.022 0.000 2.384 236 E HA 0.230 4.581 4.350 0.001 0.000 0.266 236 E C 0.124 176.760 176.600 0.060 0.000 1.012 236 E CA -0.186 56.235 56.400 0.034 0.000 0.901 236 E CB 0.473 30.188 29.700 0.025 0.000 0.967 236 E HN 0.399 nan 8.360 nan 0.000 0.435 237 M N 4.362 124.040 119.600 0.129 0.000 2.472 237 M HA 0.354 4.835 4.480 0.001 0.000 0.331 237 M C -0.824 175.552 176.300 0.127 0.000 1.170 237 M CA -0.698 54.696 55.300 0.157 0.000 1.009 237 M CB 1.313 34.066 32.600 0.256 0.000 1.672 237 M HN 0.469 nan 8.290 nan 0.000 0.453 238 R N 4.541 125.047 120.500 0.010 0.000 2.480 238 R HA 0.561 4.901 4.340 0.001 0.000 0.306 238 R C -1.696 174.534 176.300 -0.116 0.000 0.958 238 R CA -0.593 55.459 56.100 -0.080 0.000 0.861 238 R CB 1.179 31.427 30.300 -0.087 0.000 1.171 238 R HN 0.816 nan 8.270 nan 0.000 0.445 239 L N 3.825 124.906 121.223 -0.237 0.000 2.371 239 L HA 0.093 4.433 4.340 0.001 0.000 0.272 239 L C 1.755 178.590 176.870 -0.058 0.000 1.124 239 L CA -0.270 54.467 54.840 -0.172 0.000 0.816 239 L CB 1.386 43.276 42.059 -0.281 0.000 1.129 239 L HN 0.708 nan 8.230 nan 0.000 0.448 240 Q N 1.741 121.535 119.800 -0.009 0.000 2.135 240 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 240 Q C 1.933 177.983 176.000 0.085 0.000 0.981 240 Q CA 2.389 58.222 55.803 0.051 0.000 0.856 240 Q CB 0.096 28.861 28.738 0.046 0.000 0.902 240 Q HN 0.921 nan 8.270 nan 0.000 0.425 241 S N 0.411 116.133 115.700 0.037 0.000 2.368 241 S HA -0.129 4.342 4.470 0.001 0.000 0.224 241 S C 1.531 176.107 174.600 -0.040 0.000 1.029 241 S CA 1.230 59.445 58.200 0.025 0.000 0.988 241 S CB -0.330 62.901 63.200 0.051 0.000 0.838 241 S HN 0.290 nan 8.310 nan 0.000 0.462 242 D N 1.023 121.382 120.400 -0.069 0.000 2.117 242 D HA -0.012 4.628 4.640 0.001 0.000 0.197 242 D C 1.554 177.600 176.300 -0.424 0.000 0.987 242 D CA 0.889 54.767 54.000 -0.203 0.000 0.829 242 D CB -0.549 40.205 40.800 -0.076 0.000 0.961 242 D HN 0.457 nan 8.370 nan 0.000 0.460 243 F N 1.681 121.436 119.950 -0.326 0.000 2.095 243 F HA -0.244 4.283 4.527 0.000 0.000 0.298 243 F C 2.225 177.891 175.800 -0.223 0.000 1.104 243 F CA 1.943 59.785 58.000 -0.265 0.000 1.232 243 F CB -0.108 38.831 39.000 -0.101 0.000 0.987 243 F HN -0.052 nan 8.300 nan 0.000 0.475 244 A N 0.632 123.395 122.820 -0.095 0.000 1.902 244 A HA -0.151 4.170 4.320 0.001 0.000 0.217 244 A C 2.231 179.661 177.584 -0.258 0.000 1.181 244 A CA 1.842 53.793 52.037 -0.144 0.000 0.623 244 A CB -1.233 17.770 19.000 0.006 0.000 0.818 244 A HN 0.516 nan 8.150 nan 0.000 0.443 245 L N -0.769 120.281 121.223 -0.289 0.000 2.083 245 L HA -0.195 4.145 4.340 0.001 0.000 0.209 245 L C 3.011 179.605 176.870 -0.460 0.000 1.083 245 L CA 1.028 55.709 54.840 -0.266 0.000 0.752 245 L CB -0.458 41.521 42.059 -0.134 0.000 0.899 245 L HN 0.433 nan 8.230 nan 0.000 0.433 246 A N -1.280 120.943 122.820 -0.996 0.000 2.067 246 A HA -0.180 4.140 4.320 0.001 0.000 0.219 246 A C 1.889 178.919 177.584 -0.922 0.000 1.158 246 A CA 1.322 52.570 52.037 -1.314 0.000 0.661 246 A CB -0.492 17.382 19.000 -1.877 0.000 0.801 246 A HN 0.475 nan 8.150 nan 0.000 0.452 247 H N -1.318 117.461 119.070 -0.485 0.000 2.874 247 H HA 0.109 4.665 4.556 0.000 0.000 0.264 247 H C -0.189 175.008 175.328 -0.220 0.000 1.007 247 H CA -0.229 55.601 56.048 -0.363 0.000 1.207 247 H CB 0.196 29.647 29.762 -0.518 0.000 1.487 247 H HN 0.476 nan 8.280 nan 0.000 0.505 248 D N 2.130 122.466 120.400 -0.107 0.000 2.382 248 D HA 0.008 4.649 4.640 0.001 0.000 0.245 248 D C -1.663 174.621 176.300 -0.027 0.000 1.120 248 D CA -1.651 52.318 54.000 -0.052 0.000 0.890 248 D CB 2.393 43.165 40.800 -0.048 0.000 1.201 248 D HN 0.008 nan 8.370 nan 0.000 0.433 249 P HA -0.084 nan 4.420 nan 0.000 0.219 249 P C 1.032 178.339 177.300 0.012 0.000 1.146 249 P CA 1.049 64.151 63.100 0.003 0.000 0.808 249 P CB 0.230 31.933 31.700 0.005 0.000 0.779 250 R N -1.020 119.488 120.500 0.013 0.000 2.148 250 R HA -0.014 4.326 4.340 0.001 0.000 0.227 250 R C 1.619 177.941 176.300 0.036 0.000 1.103 250 R CA 1.906 58.021 56.100 0.026 0.000 0.983 250 R CB -0.661 29.656 30.300 0.028 0.000 0.874 250 R HN 0.344 nan 8.270 nan 0.000 0.451 251 T N -4.429 110.143 114.554 0.030 0.000 2.986 251 T HA 0.338 4.689 4.350 0.001 0.000 0.264 251 T C 1.714 176.461 174.700 0.079 0.000 0.964 251 T CA 0.186 62.321 62.100 0.058 0.000 0.895 251 T CB 0.650 69.552 68.868 0.057 0.000 1.163 251 T HN 0.098 nan 8.240 nan 0.000 0.517 252 A N 1.729 124.569 122.820 0.032 0.000 1.902 252 A HA -0.075 4.246 4.320 0.001 0.000 0.217 252 A C 2.645 180.283 177.584 0.090 0.000 1.181 252 A CA 1.771 53.826 52.037 0.030 0.000 0.623 252 A CB -1.542 17.452 19.000 -0.011 0.000 0.818 252 A HN 0.945 nan 8.150 nan 0.000 0.443 253 C N -0.802 118.532 119.300 0.056 0.000 2.440 253 C HA 0.036 4.496 4.460 0.001 0.000 0.278 253 C C 2.402 177.391 174.990 -0.002 0.000 1.295 253 C CA 0.729 59.769 59.018 0.037 0.000 1.738 253 C CB -1.645 26.109 27.740 0.023 0.000 1.987 253 C HN 0.514 nan 8.230 nan 0.000 0.492 254 I N -0.275 120.296 120.570 0.001 0.000 2.179 254 I HA -0.167 4.003 4.170 0.001 0.000 0.242 254 I C 2.822 178.777 176.117 -0.270 0.000 1.088 254 I CA 2.036 63.259 61.300 -0.129 0.000 1.357 254 I CB -0.636 37.350 38.000 -0.023 0.000 1.051 254 I HN 0.583 nan 8.210 nan 0.000 0.409 255 W N 2.031 123.237 121.300 -0.157 0.000 2.333 255 W HA -0.291 4.370 4.660 0.000 0.000 0.316 255 W C 2.504 178.979 176.519 -0.073 0.000 1.215 255 W CA 2.091 59.420 57.345 -0.026 0.000 1.278 255 W CB -0.510 28.974 29.460 0.041 0.000 1.154 255 W HN 0.264 nan 8.180 nan 0.000 0.486 256 Q N -0.224 119.697 119.800 0.203 0.000 2.170 256 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 256 Q C 2.277 178.220 176.000 -0.096 0.000 0.976 256 Q CA 1.969 57.851 55.803 0.131 0.000 0.858 256 Q CB -0.796 28.053 28.738 0.185 0.000 0.907 256 Q HN 0.274 nan 8.270 nan 0.000 0.433 257 G N -0.769 107.904 108.800 -0.211 0.000 2.535 257 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 257 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 257 G C 0.857 175.580 174.900 -0.294 0.000 1.122 257 G CA 0.193 45.150 45.100 -0.238 0.000 0.769 257 G HN 0.377 nan 8.290 nan 0.000 0.549 258 F N 0.204 119.908 119.950 -0.409 0.000 2.754 258 F HA 0.205 4.732 4.527 0.001 0.000 0.297 258 F C 1.071 176.621 175.800 -0.417 0.000 1.122 258 F CA -0.641 56.988 58.000 -0.618 0.000 1.400 258 F CB 0.434 38.534 39.000 -1.501 0.000 1.117 258 F HN -0.225 nan 8.300 nan 0.000 0.587 259 V N 2.016 121.838 119.914 -0.154 0.000 2.509 259 V HA -0.137 3.983 4.120 0.001 0.000 0.297 259 V C 0.669 176.678 176.094 -0.141 0.000 1.014 259 V CA 0.479 62.709 62.300 -0.117 0.000 1.127 259 V CB -0.157 31.562 31.823 -0.172 0.000 0.925 259 V HN 0.597 nan 8.190 nan 0.000 0.480 260 N N 3.078 121.716 118.700 -0.103 0.000 2.741 260 N HA -0.177 4.564 4.740 0.001 0.000 0.251 260 N C 0.046 175.533 175.510 -0.038 0.000 1.112 260 N CA 1.242 54.240 53.050 -0.087 0.000 0.750 260 N CB -0.413 37.997 38.487 -0.129 0.000 1.119 260 N HN 0.803 nan 8.380 nan 0.000 0.561 261 E N 0.148 120.353 120.200 0.008 0.000 3.568 261 E HA 0.106 4.457 4.350 0.001 0.000 0.213 261 E C 0.590 177.256 176.600 0.110 0.000 1.197 261 E CA -0.399 56.062 56.400 0.102 0.000 1.126 261 E CB 0.862 30.702 29.700 0.232 0.000 1.285 261 E HN 0.368 nan 8.360 nan 0.000 0.418 262 Q N 1.125 120.954 119.800 0.048 0.000 2.050 262 Q HA -0.118 4.222 4.340 0.001 0.000 0.202 262 Q C 1.661 177.699 176.000 0.063 0.000 0.980 262 Q CA 1.669 57.486 55.803 0.024 0.000 0.840 262 Q CB 0.185 28.929 28.738 0.011 0.000 0.898 262 Q HN 0.436 nan 8.270 nan 0.000 0.424 263 A N 0.254 123.132 122.820 0.096 0.000 1.933 263 A HA -0.174 4.146 4.320 0.001 0.000 0.218 263 A C 1.899 179.600 177.584 0.195 0.000 1.175 263 A CA 1.302 53.409 52.037 0.116 0.000 0.628 263 A CB -0.887 18.171 19.000 0.097 0.000 0.814 263 A HN 0.474 nan 8.150 nan 0.000 0.444 264 F N 0.249 120.237 119.950 0.063 0.000 2.102 264 F HA -0.164 4.363 4.527 0.001 0.000 0.298 264 F C 2.235 178.115 175.800 0.134 0.000 1.105 264 F CA 1.832 59.911 58.000 0.133 0.000 1.239 264 F CB -0.506 38.588 39.000 0.155 0.000 0.991 264 F HN 0.288 nan 8.300 nan 0.000 0.474 265 M N 0.033 119.575 119.600 -0.098 0.000 2.080 265 M HA -0.184 4.296 4.480 0.001 0.000 0.260 265 M C 2.278 178.400 176.300 -0.297 0.000 1.068 265 M CA 2.274 57.189 55.300 -0.642 0.000 1.109 265 M CB -0.520 31.712 32.600 -0.614 0.000 1.342 265 M HN 0.224 nan 8.290 nan 0.000 0.405 266 A N 0.126 122.929 122.820 -0.028 0.000 1.902 266 A HA -0.042 4.279 4.320 0.001 0.000 0.217 266 A C 2.297 179.947 177.584 0.110 0.000 1.181 266 A CA 1.932 54.039 52.037 0.117 0.000 0.623 266 A CB -1.160 17.907 19.000 0.111 0.000 0.818 266 A HN 0.682 nan 8.150 nan 0.000 0.443 267 A N -0.564 122.314 122.820 0.096 0.000 1.902 267 A HA -0.056 4.265 4.320 0.001 0.000 0.217 267 A C 2.441 180.090 177.584 0.108 0.000 1.181 267 A CA 2.057 54.165 52.037 0.118 0.000 0.623 267 A CB -0.815 18.285 19.000 0.167 0.000 0.818 267 A HN 0.454 nan 8.150 nan 0.000 0.443 268 S N -1.116 114.618 115.700 0.057 0.000 2.368 268 S HA -0.109 4.362 4.470 0.001 0.000 0.224 268 S C 1.664 176.252 174.600 -0.020 0.000 1.029 268 S CA 1.357 59.576 58.200 0.033 0.000 0.988 268 S CB -0.514 62.599 63.200 -0.146 0.000 0.838 268 S HN 0.618 nan 8.310 nan 0.000 0.462 269 F N 2.731 122.562 119.950 -0.198 0.000 2.095 269 F HA -0.100 4.428 4.527 0.001 0.000 0.298 269 F C 2.446 178.219 175.800 -0.045 0.000 1.104 269 F CA 1.608 59.532 58.000 -0.126 0.000 1.232 269 F CB -0.284 38.697 39.000 -0.030 0.000 0.987 269 F HN 0.001 nan 8.300 nan 0.000 0.475 270 R N 0.290 120.805 120.500 0.025 0.000 2.083 270 R HA -0.180 4.160 4.340 0.001 0.000 0.237 270 R C 2.349 178.608 176.300 -0.068 0.000 1.137 270 R CA 1.466 57.535 56.100 -0.051 0.000 0.951 270 R CB -0.697 29.621 30.300 0.031 0.000 0.851 270 R HN 0.394 nan 8.270 nan 0.000 0.434 271 A N 0.521 123.341 122.820 -0.001 0.000 1.902 271 A HA -0.077 4.244 4.320 0.001 0.000 0.217 271 A C 2.324 179.925 177.584 0.029 0.000 1.181 271 A CA 1.645 53.705 52.037 0.038 0.000 0.623 271 A CB -0.709 18.353 19.000 0.103 0.000 0.818 271 A HN 0.540 nan 8.150 nan 0.000 0.443 272 A N -1.179 121.637 122.820 -0.008 0.000 1.930 272 A HA -0.040 4.281 4.320 0.001 0.000 0.217 272 A C 2.128 179.708 177.584 -0.007 0.000 1.175 272 A CA 1.729 53.793 52.037 0.044 0.000 0.627 272 A CB -0.433 18.545 19.000 -0.038 0.000 0.815 272 A HN 0.406 nan 8.150 nan 0.000 0.443 273 M N 0.812 120.267 119.600 -0.241 0.000 2.213 273 M HA -0.122 4.358 4.480 0.001 0.000 0.263 273 M C 2.476 178.751 176.300 -0.042 0.000 1.062 273 M CA 1.859 57.020 55.300 -0.233 0.000 1.105 273 M CB -1.374 30.944 32.600 -0.470 0.000 1.385 273 M HN 0.691 nan 8.290 nan 0.000 0.417 274 S N 0.197 115.884 115.700 -0.022 0.000 2.383 274 S HA -0.170 4.301 4.470 0.001 0.000 0.229 274 S C 1.929 176.561 174.600 0.052 0.000 1.030 274 S CA 1.193 59.403 58.200 0.017 0.000 1.002 274 S CB -0.320 62.887 63.200 0.012 0.000 0.829 274 S HN 0.477 nan 8.310 nan 0.000 0.467 275 K N 0.379 120.835 120.400 0.094 0.000 2.076 275 K HA 0.172 4.492 4.320 0.001 0.000 0.204 275 K C 2.157 178.886 176.600 0.215 0.000 1.051 275 K CA 1.001 57.353 56.287 0.107 0.000 0.949 275 K CB -0.421 32.123 32.500 0.074 0.000 0.726 275 K HN 0.283 nan 8.250 nan 0.000 0.443 276 L N 1.280 122.715 121.223 0.353 0.000 2.042 276 L HA -0.142 4.199 4.340 0.001 0.000 0.210 276 L C 2.120 179.137 176.870 0.245 0.000 1.076 276 L CA 1.818 56.897 54.840 0.399 0.000 0.749 276 L CB -0.561 41.656 42.059 0.264 0.000 0.893 276 L HN 0.128 nan 8.230 nan 0.000 0.432 277 A N -1.197 121.723 122.820 0.166 0.000 2.121 277 A HA -0.050 4.271 4.320 0.001 0.000 0.218 277 A C 1.827 179.497 177.584 0.143 0.000 1.154 277 A CA 1.462 53.588 52.037 0.149 0.000 0.679 277 A CB -0.847 18.225 19.000 0.120 0.000 0.795 277 A HN 0.534 nan 8.150 nan 0.000 0.458 278 V N -3.117 116.882 119.914 0.142 0.000 3.319 278 V HA 0.398 4.519 4.120 0.001 0.000 0.317 278 V C 0.362 176.585 176.094 0.216 0.000 1.411 278 V CA -0.534 61.864 62.300 0.164 0.000 1.112 278 V CB -0.912 30.957 31.823 0.077 0.000 1.031 278 V HN 0.272 nan 8.190 nan 0.000 0.448 279 L N 2.551 123.886 121.223 0.186 0.000 2.540 279 L HA 0.437 4.777 4.340 0.001 0.000 0.276 279 L C 1.578 178.484 176.870 0.060 0.000 1.212 279 L CA 1.515 56.428 54.840 0.121 0.000 0.893 279 L CB 0.055 42.203 42.059 0.147 0.000 1.138 279 L HN 0.594 nan 8.230 nan 0.000 0.491 280 G N 1.718 110.470 108.800 -0.079 0.000 2.175 280 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 280 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 280 G C -0.080 174.458 174.900 -0.603 0.000 0.982 280 G CA -0.064 44.854 45.100 -0.304 0.000 0.641 280 G HN 0.762 nan 8.290 nan 0.000 0.527 281 H N -0.901 118.177 119.070 0.012 0.000 2.928 281 H HA 0.613 5.169 4.556 0.001 0.000 0.371 281 H C -0.436 174.886 175.328 -0.009 0.000 1.186 281 H CA -0.790 55.260 56.048 0.003 0.000 1.134 281 H CB 1.152 30.915 29.762 0.001 0.000 1.824 281 H HN 0.083 nan 8.280 nan 0.000 0.554 282 N N 1.544 120.308 118.700 0.106 0.000 2.414 282 N HA 0.027 4.767 4.740 0.001 0.000 0.256 282 N C 0.928 176.462 175.510 0.040 0.000 1.029 282 N CA -0.388 52.692 53.050 0.049 0.000 0.948 282 N CB 0.809 39.312 38.487 0.028 0.000 1.102 282 N HN 0.794 nan 8.380 nan 0.000 0.496 283 R N 3.105 123.617 120.500 0.019 0.000 2.193 283 R HA -0.073 4.267 4.340 0.001 0.000 0.229 283 R C 0.382 176.667 176.300 -0.026 0.000 1.110 283 R CA 1.468 57.562 56.100 -0.010 0.000 0.988 283 R CB -0.378 29.913 30.300 -0.015 0.000 0.871 283 R HN 0.463 nan 8.270 nan 0.000 0.458 284 N N 0.216 118.907 118.700 -0.014 0.000 2.550 284 N HA -0.023 4.718 4.740 0.001 0.000 0.186 284 N C 0.378 175.873 175.510 -0.025 0.000 1.110 284 N CA 0.940 53.979 53.050 -0.019 0.000 0.912 284 N CB 0.368 38.849 38.487 -0.010 0.000 0.968 284 N HN 0.161 nan 8.380 nan 0.000 0.448 285 S N -0.131 115.556 115.700 -0.022 0.000 2.554 285 S HA 0.278 4.748 4.470 0.001 0.000 0.226 285 S C 0.020 174.586 174.600 -0.057 0.000 0.980 285 S CA -0.186 57.999 58.200 -0.025 0.000 0.939 285 S CB 0.413 63.616 63.200 0.004 0.000 0.832 285 S HN 0.151 nan 8.310 nan 0.000 0.486 286 L N 1.355 122.524 121.223 -0.090 0.000 2.346 286 L HA 0.612 4.952 4.340 0.001 0.000 0.276 286 L C -0.430 176.331 176.870 -0.182 0.000 1.006 286 L CA -0.712 54.037 54.840 -0.152 0.000 0.817 286 L CB 1.785 43.729 42.059 -0.191 0.000 1.272 286 L HN 0.142 nan 8.230 nan 0.000 0.421 287 I N 1.595 122.024 120.570 -0.234 0.000 2.532 287 I HA 0.120 4.291 4.170 0.001 0.000 0.292 287 I C -0.105 175.830 176.117 -0.303 0.000 1.014 287 I CA -0.113 61.004 61.300 -0.305 0.000 1.340 287 I CB 1.180 38.941 38.000 -0.399 0.000 1.422 287 I HN 0.580 nan 8.210 nan 0.000 0.528 288 D N 6.485 126.751 120.400 -0.225 0.000 2.336 288 D HA 0.162 4.803 4.640 0.001 0.000 0.249 288 D C -0.471 175.817 176.300 -0.019 0.000 1.213 288 D CA -0.137 53.801 54.000 -0.104 0.000 0.870 288 D CB 0.579 41.384 40.800 0.009 0.000 1.076 288 D HN 0.509 nan 8.370 nan 0.000 0.483 289 C N 2.930 122.172 119.300 -0.098 0.000 2.647 289 C HA 0.173 4.634 4.460 0.001 0.000 0.296 289 C C 2.069 177.141 174.990 0.137 0.000 1.403 289 C CA -0.393 58.636 59.018 0.018 0.000 1.781 289 C CB -1.207 26.475 27.740 -0.097 0.000 2.464 289 C HN 0.580 nan 8.230 nan 0.000 0.559 290 S N 2.120 117.884 115.700 0.106 0.000 2.419 290 S HA -0.156 4.314 4.470 0.001 0.000 0.233 290 S C 1.818 176.495 174.600 0.129 0.000 1.016 290 S CA 1.721 60.005 58.200 0.140 0.000 0.974 290 S CB -0.226 63.024 63.200 0.083 0.000 0.786 290 S HN 0.858 nan 8.310 nan 0.000 0.492 291 D N 1.581 122.046 120.400 0.109 0.000 2.348 291 D HA -0.071 4.569 4.640 0.001 0.000 0.216 291 D C 1.569 177.936 176.300 0.112 0.000 0.970 291 D CA 0.845 54.899 54.000 0.091 0.000 0.889 291 D CB -0.392 40.449 40.800 0.069 0.000 0.912 291 D HN 0.512 nan 8.370 nan 0.000 0.524 292 V N -1.961 118.046 119.914 0.155 0.000 3.647 292 V HA 0.201 4.321 4.120 0.001 0.000 0.279 292 V C 0.759 177.016 176.094 0.271 0.000 1.314 292 V CA -0.583 61.833 62.300 0.194 0.000 1.125 292 V CB -0.270 31.667 31.823 0.190 0.000 0.907 292 V HN -0.122 nan 8.190 nan 0.000 0.434 293 V N 3.172 123.212 119.914 0.210 0.000 2.572 293 V HA 0.255 4.376 4.120 0.001 0.000 0.291 293 V C -1.821 174.286 176.094 0.021 0.000 1.039 293 V CA -1.064 61.280 62.300 0.074 0.000 1.055 293 V CB 0.518 32.357 31.823 0.028 0.000 0.969 293 V HN 0.399 nan 8.190 nan 0.000 0.482 294 P HA 0.054 nan 4.420 nan 0.000 0.267 294 P C -0.333 176.948 177.300 -0.032 0.000 1.200 294 P CA -0.122 62.963 63.100 -0.025 0.000 0.772 294 P CB 0.325 31.992 31.700 -0.055 0.000 0.855 295 V N 5.300 125.206 119.914 -0.015 0.000 2.529 295 V HA 0.077 4.197 4.120 0.001 0.000 0.292 295 V C -1.736 174.336 176.094 -0.036 0.000 1.028 295 V CA -0.801 61.489 62.300 -0.018 0.000 1.074 295 V CB -0.127 31.693 31.823 -0.005 0.000 0.958 295 V HN 0.604 nan 8.190 nan 0.000 0.481 296 P HA 0.238 nan 4.420 nan 0.000 0.274 296 P C -0.460 176.813 177.300 -0.046 0.000 1.231 296 P CA -0.638 62.422 63.100 -0.066 0.000 0.790 296 P CB 0.505 32.153 31.700 -0.087 0.000 0.951 297 K N 3.088 123.460 120.400 -0.047 0.000 2.451 297 K HA 0.116 4.436 4.320 0.001 0.000 0.280 297 K C -1.920 174.669 176.600 -0.019 0.000 1.020 297 K CA -1.003 55.267 56.287 -0.028 0.000 1.008 297 K CB -0.424 32.061 32.500 -0.025 0.000 0.917 297 K HN 0.434 nan 8.250 nan 0.000 0.478 298 P HA 0.057 nan 4.420 nan 0.000 0.277 298 P C -0.786 176.519 177.300 0.009 0.000 1.240 298 P CA -0.376 62.724 63.100 0.000 0.000 0.798 298 P CB 0.943 32.645 31.700 0.002 0.000 0.979 299 A N 1.860 124.690 122.820 0.016 0.000 2.386 299 A HA 0.253 4.574 4.320 0.001 0.000 0.246 299 A C 1.692 179.286 177.584 0.016 0.000 1.089 299 A CA 0.488 52.538 52.037 0.021 0.000 0.790 299 A CB -0.751 18.264 19.000 0.026 0.000 1.042 299 A HN 0.671 nan 8.150 nan 0.000 0.497 300 T N -2.214 112.350 114.554 0.016 0.000 2.995 300 T HA 0.306 4.656 4.350 0.001 0.000 0.269 300 T C 1.434 176.141 174.700 0.012 0.000 1.091 300 T CA 1.348 63.456 62.100 0.013 0.000 1.128 300 T CB -0.307 68.569 68.868 0.014 0.000 0.891 300 T HN 2.484 nan 8.240 nan 0.000 0.492 301 G N 0.668 109.475 108.800 0.012 0.000 2.175 301 G HA2 -0.236 3.725 3.960 0.001 0.000 0.244 301 G HA3 -0.236 3.725 3.960 0.001 0.000 0.244 301 G C -0.076 174.829 174.900 0.008 0.000 0.982 301 G CA 0.041 45.148 45.100 0.011 0.000 0.641 301 G HN 0.683 nan 8.290 nan 0.000 0.527 302 Q N 0.900 120.705 119.800 0.008 0.000 2.373 302 Q HA 0.400 4.741 4.340 0.001 0.000 0.255 302 Q C -1.899 174.101 176.000 -0.000 0.000 0.980 302 Q CA -1.185 54.622 55.803 0.006 0.000 0.882 302 Q CB 0.507 29.250 28.738 0.009 0.000 1.249 302 Q HN 0.270 nan 8.270 nan 0.000 0.438 303 P HA 0.039 nan 4.420 nan 0.000 0.270 303 P C -1.116 176.171 177.300 -0.021 0.000 1.223 303 P CA -0.194 62.899 63.100 -0.012 0.000 0.785 303 P CB 0.395 32.091 31.700 -0.007 0.000 0.923 304 A N 2.165 124.958 122.820 -0.044 0.000 2.466 304 A HA 0.416 4.736 4.320 0.001 0.000 0.238 304 A C 0.053 177.597 177.584 -0.067 0.000 1.074 304 A CA 0.420 52.417 52.037 -0.067 0.000 0.774 304 A CB -0.477 18.462 19.000 -0.102 0.000 1.015 304 A HN 0.518 nan 8.150 nan 0.000 0.498 305 M N 0.605 120.162 119.600 -0.071 0.000 2.531 305 M HA 0.402 4.882 4.480 0.001 0.000 0.286 305 M C -1.351 174.911 176.300 -0.064 0.000 1.232 305 M CA -0.161 55.126 55.300 -0.023 0.000 0.877 305 M CB 1.972 34.600 32.600 0.047 0.000 1.726 305 M HN 0.575 nan 8.290 nan 0.000 0.463 306 F N 2.158 122.152 119.950 0.072 0.000 2.543 306 F HA 0.260 4.787 4.527 0.001 0.000 0.375 306 F C -1.901 173.926 175.800 0.045 0.000 1.075 306 F CA -1.080 56.960 58.000 0.067 0.000 1.225 306 F CB -0.121 38.918 39.000 0.065 0.000 1.099 306 F HN 0.183 nan 8.300 nan 0.000 0.561 307 P HA 0.078 nan 4.420 nan 0.000 0.269 307 P C -0.773 176.601 177.300 0.123 0.000 1.215 307 P CA -0.306 62.866 63.100 0.120 0.000 0.780 307 P CB 0.537 32.288 31.700 0.085 0.000 0.898 308 A N 2.579 125.448 122.820 0.082 0.000 2.565 308 A HA 0.334 4.655 4.320 0.001 0.000 0.237 308 A C 1.130 178.746 177.584 0.053 0.000 1.053 308 A CA 1.265 53.338 52.037 0.061 0.000 0.755 308 A CB -1.041 17.985 19.000 0.045 0.000 0.980 308 A HN 0.936 nan 8.150 nan 0.000 0.506 309 S N -0.629 115.094 115.700 0.038 0.000 2.541 309 S HA -0.189 4.282 4.470 0.001 0.000 0.262 309 S C 0.321 174.937 174.600 0.026 0.000 1.321 309 S CA 1.672 59.886 58.200 0.025 0.000 1.243 309 S CB -2.869 60.344 63.200 0.023 0.000 1.531 309 S HN 2.712 nan 8.310 nan 0.000 0.656 310 T N -1.551 113.033 114.554 0.050 0.000 2.907 310 T HA 0.897 5.247 4.350 0.001 0.000 0.290 310 T C 0.300 174.975 174.700 -0.043 0.000 1.066 310 T CA -0.071 62.062 62.100 0.054 0.000 1.012 310 T CB 1.491 70.459 68.868 0.167 0.000 1.184 310 T HN 1.958 nan 8.240 nan 0.000 0.522 311 G N -0.011 108.654 108.800 -0.225 0.000 2.488 311 G HA2 0.540 4.500 3.960 0.001 0.000 0.301 311 G HA3 0.540 4.500 3.960 0.001 0.000 0.301 311 G C -2.718 171.634 174.900 -0.915 0.000 1.339 311 G CA -0.896 43.746 45.100 -0.764 0.000 0.803 311 G HN 0.441 nan 8.290 nan 0.000 0.482 312 P HA -0.104 nan 4.420 nan 0.000 0.219 312 P C 1.885 179.034 177.300 -0.252 0.000 1.146 312 P CA 1.485 64.278 63.100 -0.511 0.000 0.808 312 P CB 0.183 31.701 31.700 -0.304 0.000 0.779 313 Q N -0.427 119.243 119.800 -0.217 0.000 2.364 313 Q HA -0.163 4.178 4.340 0.001 0.000 0.209 313 Q C 0.536 176.480 176.000 -0.094 0.000 0.977 313 Q CA 1.513 57.239 55.803 -0.127 0.000 0.885 313 Q CB -0.953 27.722 28.738 -0.104 0.000 0.941 313 Q HN 0.280 nan 8.270 nan 0.000 0.464 314 D N 0.753 121.095 120.400 -0.096 0.000 2.339 314 D HA 0.185 4.825 4.640 0.001 0.000 0.217 314 D C 0.344 176.643 176.300 -0.002 0.000 1.050 314 D CA -0.027 53.953 54.000 -0.033 0.000 0.856 314 D CB 0.323 41.119 40.800 -0.007 0.000 0.922 314 D HN 0.230 nan 8.370 nan 0.000 0.518 315 L N 1.350 122.554 121.223 -0.032 0.000 2.456 315 L HA 0.090 4.431 4.340 0.001 0.000 0.272 315 L C 0.654 177.512 176.870 -0.020 0.000 1.189 315 L CA 0.389 55.205 54.840 -0.039 0.000 0.846 315 L CB 0.607 42.543 42.059 -0.204 0.000 1.111 315 L HN -0.242 nan 8.230 nan 0.000 0.475 316 E N 4.832 125.056 120.200 0.039 0.000 2.376 316 E HA 0.347 4.698 4.350 0.001 0.000 0.236 316 E C -0.955 175.720 176.600 0.125 0.000 0.962 316 E CA -0.261 56.179 56.400 0.067 0.000 0.768 316 E CB 0.967 30.724 29.700 0.094 0.000 1.236 316 E HN 0.441 nan 8.360 nan 0.000 0.431 317 L N 0.964 122.214 121.223 0.045 0.000 2.375 317 L HA 0.316 4.657 4.340 0.001 0.000 0.271 317 L C 0.827 177.748 176.870 0.085 0.000 1.107 317 L CA -0.165 54.711 54.840 0.060 0.000 0.806 317 L CB 1.351 43.418 42.059 0.013 0.000 1.146 317 L HN 0.403 nan 8.230 nan 0.000 0.447 318 S N -0.143 115.615 115.700 0.097 0.000 2.993 318 S HA 0.064 4.535 4.470 0.001 0.000 0.257 318 S C -0.403 174.231 174.600 0.056 0.000 0.997 318 S CA -0.380 57.868 58.200 0.081 0.000 1.191 318 S CB 0.542 63.813 63.200 0.119 0.000 1.143 318 S HN 0.663 nan 8.310 nan 0.000 0.655 319 C N 4.540 123.882 119.300 0.070 0.000 2.294 319 C HA 0.544 5.005 4.460 0.001 0.000 0.319 319 C C -1.710 173.314 174.990 0.056 0.000 1.164 319 C CA -1.953 57.102 59.018 0.062 0.000 1.497 319 C CB 0.100 27.887 27.740 0.078 0.000 2.061 319 C HN 0.292 nan 8.230 nan 0.000 0.438 320 P HA -0.037 nan 4.420 nan 0.000 0.229 320 P C 1.093 178.410 177.300 0.030 0.000 1.160 320 P CA 1.149 64.269 63.100 0.032 0.000 0.777 320 P CB 0.090 31.803 31.700 0.021 0.000 0.814 321 S N -2.356 113.360 115.700 0.026 0.000 2.554 321 S HA 0.222 4.693 4.470 0.001 0.000 0.226 321 S C 0.330 174.939 174.600 0.015 0.000 0.980 321 S CA -0.431 57.778 58.200 0.016 0.000 0.939 321 S CB -0.192 63.013 63.200 0.008 0.000 0.832 321 S HN 0.081 nan 8.310 nan 0.000 0.486 322 E N 1.324 121.541 120.200 0.029 0.000 2.275 322 E HA 0.363 4.713 4.350 0.001 0.000 0.270 322 E C -1.028 175.604 176.600 0.053 0.000 0.882 322 E CA -0.701 55.713 56.400 0.023 0.000 0.758 322 E CB 2.029 31.734 29.700 0.008 0.000 1.195 322 E HN 0.205 nan 8.360 nan 0.000 0.419 323 R N 2.880 123.404 120.500 0.040 0.000 2.401 323 R HA 0.131 4.472 4.340 0.001 0.000 0.299 323 R C -0.813 175.542 176.300 0.091 0.000 1.064 323 R CA -0.250 55.894 56.100 0.073 0.000 1.000 323 R CB 0.324 30.651 30.300 0.046 0.000 0.973 323 R HN 0.454 nan 8.270 nan 0.000 0.438 324 F N 7.528 127.501 119.950 0.038 0.000 2.495 324 F HA 0.284 4.811 4.527 0.000 0.000 0.365 324 F C -1.587 174.246 175.800 0.056 0.000 1.090 324 F CA -1.720 56.312 58.000 0.054 0.000 1.235 324 F CB 0.532 39.581 39.000 0.081 0.000 1.119 324 F HN 0.547 nan 8.300 nan 0.000 0.562 325 P HA 0.113 nan 4.420 nan 0.000 0.274 325 P C -1.025 176.308 177.300 0.056 0.000 1.246 325 P CA -0.420 62.572 63.100 -0.181 0.000 0.795 325 P CB 0.523 32.043 31.700 -0.299 0.000 1.006 326 T N 2.184 116.790 114.554 0.086 0.000 2.737 326 T HA 0.414 4.764 4.350 0.001 0.000 0.296 326 T C 0.201 174.985 174.700 0.141 0.000 0.922 326 T CA -0.091 62.101 62.100 0.153 0.000 1.079 326 T CB -0.376 68.554 68.868 0.103 0.000 0.892 326 T HN 0.174 nan 8.240 nan 0.000 0.514 327 L N 2.907 124.277 121.223 0.246 0.000 2.341 327 L HA 0.584 4.924 4.340 0.001 0.000 0.267 327 L C 1.006 178.051 176.870 0.292 0.000 1.009 327 L CA -1.272 53.698 54.840 0.217 0.000 0.819 327 L CB 2.114 44.267 42.059 0.156 0.000 1.323 327 L HN 0.594 nan 8.230 nan 0.000 0.425 328 T N -2.031 112.645 114.554 0.204 0.000 2.849 328 T HA 0.377 4.727 4.350 0.001 0.000 0.284 328 T C 0.034 174.903 174.700 0.282 0.000 1.004 328 T CA -0.469 61.746 62.100 0.192 0.000 1.021 328 T CB 1.207 70.143 68.868 0.112 0.000 1.013 328 T HN 0.524 nan 8.240 nan 0.000 0.527 329 T N 2.541 117.220 114.554 0.208 0.000 2.797 329 T HA 0.318 4.669 4.350 0.001 0.000 0.279 329 T C 0.029 174.802 174.700 0.122 0.000 0.991 329 T CA -0.672 61.549 62.100 0.202 0.000 0.979 329 T CB 1.283 70.210 68.868 0.100 0.000 0.943 329 T HN 0.607 nan 8.240 nan 0.000 0.444 330 Q N 3.031 122.902 119.800 0.119 0.000 2.330 330 Q HA 0.144 4.485 4.340 0.001 0.000 0.279 330 Q C -2.154 173.882 176.000 0.060 0.000 1.024 330 Q CA -1.300 54.550 55.803 0.078 0.000 0.900 330 Q CB 0.123 28.904 28.738 0.071 0.000 1.221 330 Q HN 0.350 nan 8.270 nan 0.000 0.396 331 P HA 0.225 nan 4.420 nan 0.000 0.272 331 P C -0.446 176.872 177.300 0.030 0.000 1.230 331 P CA 0.098 63.218 63.100 0.033 0.000 0.788 331 P CB 0.653 32.370 31.700 0.028 0.000 0.949 332 G N -0.292 108.522 108.800 0.023 0.000 2.453 332 G HA2 0.249 4.209 3.960 0.001 0.000 0.665 332 G HA3 0.249 4.209 3.960 0.001 0.000 0.665 332 G C 0.221 175.131 174.900 0.017 0.000 1.411 332 G CA -0.158 44.955 45.100 0.020 0.000 0.889 332 G HN 0.461 nan 8.290 nan 0.000 0.651 333 A N 0.171 122.999 122.820 0.012 0.000 2.030 333 A HA 0.638 4.959 4.320 0.001 0.000 0.215 333 A C 1.726 179.316 177.584 0.010 0.000 1.164 333 A CA 2.123 54.166 52.037 0.008 0.000 0.697 333 A CB -0.249 18.754 19.000 0.005 0.000 0.827 333 A HN 2.394 nan 8.150 nan 0.000 0.457 334 S N -1.242 114.466 115.700 0.013 0.000 2.689 334 S HA 0.504 4.975 4.470 0.001 0.000 0.306 334 S C -0.335 174.276 174.600 0.019 0.000 1.104 334 S CA -0.668 57.540 58.200 0.014 0.000 0.973 334 S CB 0.930 64.137 63.200 0.012 0.000 1.121 334 S HN 0.392 nan 8.310 nan 0.000 0.523 335 Q N 0.915 120.727 119.800 0.019 0.000 2.364 335 Q HA 0.271 4.612 4.340 0.001 0.000 0.267 335 Q C -0.615 175.400 176.000 0.024 0.000 0.999 335 Q CA -0.061 55.756 55.803 0.024 0.000 0.886 335 Q CB 0.530 29.280 28.738 0.020 0.000 1.243 335 Q HN 0.752 nan 8.270 nan 0.000 0.415 336 S N 3.162 118.879 115.700 0.028 0.000 2.584 336 S HA 0.294 4.764 4.470 0.001 0.000 0.273 336 S C 0.051 174.668 174.600 0.029 0.000 1.311 336 S CA -0.637 57.580 58.200 0.029 0.000 1.034 336 S CB 0.522 63.742 63.200 0.033 0.000 0.939 336 S HN 0.520 nan 8.310 nan 0.000 0.513 337 L N 2.516 123.758 121.223 0.031 0.000 2.461 337 L HA 0.245 4.585 4.340 0.001 0.000 0.272 337 L C -0.165 176.730 176.870 0.042 0.000 1.197 337 L CA 0.004 54.865 54.840 0.035 0.000 0.836 337 L CB 0.073 42.155 42.059 0.038 0.000 1.105 337 L HN 0.535 nan 8.230 nan 0.000 0.477 338 I N 2.792 123.387 120.570 0.042 0.000 2.301 338 I HA 0.226 4.396 4.170 0.001 0.000 0.292 338 I C 0.679 176.850 176.117 0.089 0.000 1.046 338 I CA -0.241 61.085 61.300 0.043 0.000 1.282 338 I CB 1.235 39.238 38.000 0.005 0.000 1.409 338 I HN 0.647 nan 8.210 nan 0.000 0.484 339 A N 4.364 127.263 122.820 0.132 0.000 2.498 339 A HA -0.040 4.280 4.320 0.001 0.000 0.239 339 A C 1.061 178.826 177.584 0.302 0.000 1.068 339 A CA 0.115 52.268 52.037 0.193 0.000 0.766 339 A CB -0.050 19.064 19.000 0.189 0.000 1.003 339 A HN 0.851 nan 8.150 nan 0.000 0.497 340 H N 0.424 119.590 119.070 0.160 0.000 2.462 340 H HA 0.037 4.593 4.556 0.001 0.000 0.292 340 H C 0.120 175.603 175.328 0.257 0.000 1.049 340 H CA 1.400 57.560 56.048 0.188 0.000 1.334 340 H CB 0.037 29.853 29.762 0.090 0.000 1.404 340 H HN 0.608 nan 8.280 nan 0.000 0.544 341 c N 0.376 119.023 118.600 0.079 0.000 2.561 341 c HA 0.258 4.828 4.570 0.001 0.000 0.319 341 c C -1.103 172.673 174.090 -0.524 0.000 1.198 341 c CA -1.273 54.895 56.329 -0.268 0.000 1.665 341 c CB 2.182 44.608 42.510 -0.139 0.000 2.258 341 c HN 0.304 nan 8.230 nan 0.000 0.493 342 P HA -0.123 nan 4.420 nan 0.000 0.219 342 P C 0.707 177.823 177.300 -0.307 0.000 1.146 342 P CA 1.491 64.070 63.100 -0.869 0.000 0.808 342 P CB 0.010 31.261 31.700 -0.749 0.000 0.779 343 D N -2.428 117.841 120.400 -0.219 0.000 2.339 343 D HA 0.132 4.772 4.640 0.001 0.000 0.217 343 D C 1.403 177.675 176.300 -0.046 0.000 1.050 343 D CA 0.467 54.405 54.000 -0.102 0.000 0.856 343 D CB -0.693 40.056 40.800 -0.084 0.000 0.922 343 D HN 0.227 nan 8.370 nan 0.000 0.518 344 G N -0.067 108.716 108.800 -0.028 0.000 2.195 344 G HA2 -0.267 3.693 3.960 0.001 0.000 0.224 344 G HA3 -0.267 3.693 3.960 0.001 0.000 0.224 344 G C 0.511 175.435 174.900 0.041 0.000 0.990 344 G CA 0.357 45.475 45.100 0.030 0.000 0.639 344 G HN 0.783 nan 8.290 nan 0.000 0.514 345 S N -0.596 115.115 115.700 0.018 0.000 2.646 345 S HA 0.742 5.212 4.470 0.001 0.000 0.273 345 S C 1.645 176.294 174.600 0.082 0.000 1.168 345 S CA 0.255 58.476 58.200 0.035 0.000 1.013 345 S CB 0.736 63.943 63.200 0.011 0.000 1.098 345 S HN 0.046 nan 8.310 nan 0.000 0.544 346 M N 0.447 120.092 119.600 0.075 0.000 2.534 346 M HA 0.302 4.782 4.480 0.001 0.000 0.263 346 M C 0.020 176.406 176.300 0.143 0.000 1.152 346 M CA 0.388 55.747 55.300 0.098 0.000 1.145 346 M CB -1.023 31.599 32.600 0.037 0.000 1.333 346 M HN 0.600 nan 8.290 nan 0.000 0.477 347 S N 0.783 116.543 115.700 0.100 0.000 2.614 347 S HA 0.522 4.992 4.470 0.001 0.000 0.288 347 S C -0.192 174.437 174.600 0.048 0.000 1.137 347 S CA -0.970 57.288 58.200 0.097 0.000 0.992 347 S CB 1.915 65.141 63.200 0.043 0.000 1.026 347 S HN 0.427 nan 8.310 nan 0.000 0.486 348 c N 0.734 119.360 118.600 0.043 0.000 2.808 348 c HA 0.350 4.920 4.570 0.001 0.000 0.236 348 c C -2.539 171.538 174.090 -0.022 0.000 1.021 348 c CA -1.480 54.837 56.329 -0.021 0.000 0.966 348 c CB -1.524 40.933 42.510 -0.089 0.000 1.763 348 c HN 0.698 nan 8.230 nan 0.000 0.687 349 P HA 0.407 nan 4.420 nan 0.000 0.271 349 P C 0.633 177.911 177.300 -0.036 0.000 1.220 349 P CA 1.099 64.197 63.100 -0.004 0.000 0.768 349 P CB 1.031 32.730 31.700 -0.002 0.000 0.848 350 G N 1.660 110.435 108.800 -0.041 0.000 2.562 350 G HA2 0.386 4.346 3.960 0.001 0.000 0.275 350 G HA3 0.386 4.346 3.960 0.001 0.000 0.275 350 G C -0.428 174.419 174.900 -0.088 0.000 1.196 350 G CA -0.680 44.383 45.100 -0.060 0.000 0.908 350 G HN 0.408 nan 8.290 nan 0.000 0.524 351 V N 0.531 120.371 119.914 -0.123 0.000 2.555 351 V HA 0.324 4.444 4.120 0.001 0.000 0.286 351 V C 0.149 176.088 176.094 -0.258 0.000 1.044 351 V CA 0.138 62.302 62.300 -0.227 0.000 1.026 351 V CB 1.114 32.771 31.823 -0.276 0.000 0.981 351 V HN 0.734 nan 8.190 nan 0.000 0.480 352 Q N 4.097 123.707 119.800 -0.316 0.000 2.269 352 Q HA 0.502 4.842 4.340 0.001 0.000 0.263 352 Q C -1.452 174.385 176.000 -0.273 0.000 0.983 352 Q CA -0.349 55.320 55.803 -0.223 0.000 0.777 352 Q CB 1.328 30.018 28.738 -0.080 0.000 1.273 352 Q HN 0.507 nan 8.270 nan 0.000 0.440 353 F N 1.838 121.801 119.950 0.022 0.000 2.384 353 F HA 0.414 4.941 4.527 0.001 0.000 0.338 353 F C 0.893 176.700 175.800 0.012 0.000 1.103 353 F CA -0.317 57.689 58.000 0.010 0.000 1.157 353 F CB 0.854 39.857 39.000 0.006 0.000 1.167 353 F HN 0.516 nan 8.300 nan 0.000 0.529 354 N N 0.409 119.228 118.700 0.199 0.000 2.453 354 N HA 0.549 5.289 4.740 0.001 0.000 0.253 354 N C 0.167 175.740 175.510 0.104 0.000 1.252 354 N CA 0.180 53.299 53.050 0.115 0.000 0.917 354 N CB 0.710 39.243 38.487 0.077 0.000 1.117 354 N HN 0.810 nan 8.380 nan 0.000 0.442 355 G N -0.061 108.780 108.800 0.067 0.000 2.489 355 G HA2 0.229 4.189 3.960 0.001 0.000 0.305 355 G HA3 0.229 4.189 3.960 0.001 0.000 0.305 355 G C -2.365 172.553 174.900 0.031 0.000 1.311 355 G CA -0.589 44.538 45.100 0.045 0.000 0.813 355 G HN 0.374 nan 8.290 nan 0.000 0.480 356 P HA 0.264 nan 4.420 nan 0.000 0.240 356 P C 0.934 178.245 177.300 0.018 0.000 1.190 356 P CA 1.008 64.117 63.100 0.014 0.000 0.781 356 P CB 0.431 32.133 31.700 0.004 0.000 0.931 357 A N 0.000 122.834 122.820 0.024 0.000 2.254 357 A HA 0.000 4.320 4.320 0.001 0.000 0.244 357 A CA 0.000 52.049 52.037 0.020 0.000 0.836 357 A CB 0.000 19.014 19.000 0.023 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486