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 3olp_1_B DATA FIRST_RESID 3 DATA SEQUENCE IHNRAGQPAQ QSDLINVAQL TAQYYVLKPE AGNAEHAVKF GTSGHRGSAG DATA SEQUENCE RHSFNEPHIL AIAQAIAEER AKNGITGPCY VGKDTHALSE PAFISVLEVL DATA SEQUENCE AANGVDVIVQ ENNGFTPTPA VSNAILVHNK KGGPLADGIV ITPSHNPPED DATA SEQUENCE GGIKYNPPNG GPADTNVTKV VEDRANALLA GGLQGVKRIS LDAAMASGHV DATA SEQUENCE KAVDLVQPFV EGLADIVDMA AIQKAGLTLG VDPLGGSGIE YWKRIAEHYK DATA SEQUENCE LNLTLVNDQV DQTFRFMHLD KDGAIRMDCS SECAMAGLLA LRDKFDLAFA DATA SEQUENCE NDPDYDRHGI VTPAGLMNPN HYLAVAINYL FQHRPLWGKD VAVGKTLVSS DATA SEQUENCE AMIDRVVNDL GRKLVEVPVG FKWFVDGLFD GSFGFGGEES AGASFLRFDG DATA SEQUENCE TPWSTDKDGI IMCLLAAEIT AVTGKNPQEH YNELAARFGA PSYNRLQASA DATA SEQUENCE TSAQKAALSK LSPEMVSAST LAGDPITARL TAAPGNGASI GGLKVMTDNG DATA SEQUENCE WFAARPSGTE DAYKIYCESF LGEEHRKQIE KEAVEIVSEV LKN 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.145 176.117 0.046 0.000 1.063 3 I CA 0.000 61.317 61.300 0.028 0.000 1.566 3 I CB 0.000 38.017 38.000 0.029 0.000 1.214 4 H N 2.416 121.478 119.070 -0.013 0.000 2.852 4 H HA 0.096 4.652 4.556 0.001 0.000 0.362 4 H C 1.325 176.648 175.328 -0.008 0.000 1.122 4 H CA 1.250 57.291 56.048 -0.011 0.000 1.419 4 H CB 1.320 31.075 29.762 -0.011 0.000 1.401 4 H HN 0.629 nan 8.280 nan 0.000 0.609 5 N N 2.629 121.028 118.700 -0.502 0.000 2.091 5 N HA -0.184 4.557 4.740 0.002 0.000 0.193 5 N C 1.007 176.519 175.510 0.003 0.000 1.021 5 N CA 1.689 54.594 53.050 -0.243 0.000 0.862 5 N CB 0.015 38.307 38.487 -0.324 0.000 1.018 5 N HN 0.541 nan 8.380 nan 0.000 0.429 6 R N 0.153 120.802 120.500 0.248 0.000 2.507 6 R HA 0.376 4.717 4.340 0.002 0.000 0.298 6 R C -0.320 176.075 176.300 0.158 0.000 0.999 6 R CA -0.294 55.925 56.100 0.198 0.000 1.082 6 R CB 0.526 30.941 30.300 0.192 0.000 1.246 6 R HN 0.101 nan 8.270 nan 0.000 0.553 7 A N 0.599 123.516 122.820 0.162 0.000 2.546 7 A HA 0.341 4.662 4.320 0.002 0.000 0.243 7 A C 1.363 178.991 177.584 0.075 0.000 1.063 7 A CA 1.009 53.103 52.037 0.095 0.000 0.757 7 A CB -0.221 18.828 19.000 0.080 0.000 0.991 7 A HN 0.575 nan 8.150 nan 0.000 0.503 8 G N 0.905 109.750 108.800 0.076 0.000 2.189 8 G HA2 -0.227 3.734 3.960 0.002 0.000 0.267 8 G HA3 -0.227 3.734 3.960 0.002 0.000 0.267 8 G C 0.269 175.278 174.900 0.181 0.000 0.975 8 G CA 0.622 45.783 45.100 0.102 0.000 0.644 8 G HN 0.880 nan 8.290 nan 0.000 0.537 9 Q N 0.605 120.481 119.800 0.127 0.000 2.299 9 Q HA 0.376 4.717 4.340 0.002 0.000 0.246 9 Q C -2.256 173.750 176.000 0.009 0.000 0.935 9 Q CA -1.907 53.954 55.803 0.097 0.000 0.887 9 Q CB 0.922 29.692 28.738 0.052 0.000 1.223 9 Q HN 0.206 nan 8.270 nan 0.000 0.439 10 P HA -0.020 nan 4.420 nan 0.000 0.265 10 P C -0.817 176.386 177.300 -0.161 0.000 1.193 10 P CA 0.154 63.058 63.100 -0.327 0.000 0.765 10 P CB 0.298 31.843 31.700 -0.258 0.000 0.823 11 A N 4.085 126.806 122.820 -0.164 0.000 2.520 11 A HA 0.144 4.465 4.320 0.002 0.000 0.235 11 A C 0.434 177.970 177.584 -0.080 0.000 1.065 11 A CA 0.263 52.238 52.037 -0.104 0.000 0.764 11 A CB -0.184 18.746 19.000 -0.117 0.000 1.002 11 A HN 0.468 nan 8.150 nan 0.000 0.502 12 Q N -0.012 119.755 119.800 -0.054 0.000 2.306 12 Q HA 0.232 4.573 4.340 0.002 0.000 0.269 12 Q C 0.729 176.710 176.000 -0.032 0.000 1.053 12 Q CA -0.842 54.939 55.803 -0.037 0.000 0.879 12 Q CB 1.323 30.047 28.738 -0.023 0.000 1.344 12 Q HN 0.880 nan 8.270 nan 0.000 0.464 13 Q N 0.929 120.716 119.800 -0.022 0.000 2.112 13 Q HA -0.174 4.167 4.340 0.002 0.000 0.206 13 Q C 1.589 177.580 176.000 -0.015 0.000 0.987 13 Q CA 2.575 58.368 55.803 -0.017 0.000 0.858 13 Q CB -0.250 28.482 28.738 -0.010 0.000 0.905 13 Q HN 0.747 nan 8.270 nan 0.000 0.420 14 S N -0.603 115.089 115.700 -0.012 0.000 2.469 14 S HA -0.120 4.351 4.470 0.002 0.000 0.238 14 S C 1.083 175.674 174.600 -0.015 0.000 0.998 14 S CA 1.167 59.362 58.200 -0.009 0.000 0.957 14 S CB -0.201 62.996 63.200 -0.004 0.000 0.764 14 S HN 0.374 nan 8.310 nan 0.000 0.514 15 D N 1.201 121.587 120.400 -0.024 0.000 2.355 15 D HA 0.223 4.864 4.640 0.002 0.000 0.218 15 D C 0.359 176.639 176.300 -0.034 0.000 1.004 15 D CA 0.287 54.267 54.000 -0.034 0.000 0.880 15 D CB 0.046 40.817 40.800 -0.048 0.000 0.911 15 D HN 0.461 nan 8.370 nan 0.000 0.528 16 L N 1.345 122.553 121.223 -0.025 0.000 2.334 16 L HA 0.411 4.752 4.340 0.002 0.000 0.275 16 L C 0.736 177.601 176.870 -0.008 0.000 1.036 16 L CA -1.147 53.681 54.840 -0.020 0.000 0.807 16 L CB 1.643 43.690 42.059 -0.020 0.000 1.231 16 L HN -0.136 nan 8.230 nan 0.000 0.438 17 I N -1.040 119.530 120.570 0.001 0.000 2.823 17 I HA 0.251 4.422 4.170 0.002 0.000 0.290 17 I C 0.208 176.333 176.117 0.014 0.000 1.091 17 I CA -0.326 60.980 61.300 0.010 0.000 1.365 17 I CB 0.593 38.606 38.000 0.021 0.000 1.427 17 I HN 0.550 nan 8.210 nan 0.000 0.583 18 N N 4.046 122.757 118.700 0.018 0.000 2.439 18 N HA 0.149 4.890 4.740 0.002 0.000 0.243 18 N C 0.616 176.146 175.510 0.033 0.000 1.088 18 N CA -0.223 52.841 53.050 0.023 0.000 0.940 18 N CB 1.398 39.899 38.487 0.023 0.000 1.180 18 N HN 0.668 nan 8.380 nan 0.000 0.505 19 V N 3.918 123.851 119.914 0.032 0.000 2.261 19 V HA -0.238 3.883 4.120 0.002 0.000 0.246 19 V C 2.355 178.483 176.094 0.056 0.000 1.047 19 V CA 2.322 64.647 62.300 0.043 0.000 1.015 19 V CB -0.983 30.859 31.823 0.033 0.000 0.642 19 V HN 0.755 nan 8.190 nan 0.000 0.446 20 A N -0.941 121.910 122.820 0.052 0.000 1.933 20 A HA -0.291 4.030 4.320 0.002 0.000 0.218 20 A C 2.276 179.905 177.584 0.075 0.000 1.175 20 A CA 2.047 54.122 52.037 0.064 0.000 0.628 20 A CB -0.547 18.483 19.000 0.050 0.000 0.814 20 A HN 0.606 nan 8.150 nan 0.000 0.444 21 Q N -0.838 118.999 119.800 0.061 0.000 2.050 21 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 21 Q C 2.039 178.084 176.000 0.076 0.000 0.980 21 Q CA 1.730 57.571 55.803 0.063 0.000 0.840 21 Q CB -0.235 28.530 28.738 0.045 0.000 0.898 21 Q HN 0.556 nan 8.270 nan 0.000 0.424 22 L N 0.580 121.846 121.223 0.071 0.000 2.046 22 L HA -0.159 4.182 4.340 0.002 0.000 0.208 22 L C 2.161 179.105 176.870 0.123 0.000 1.077 22 L CA 2.238 57.125 54.840 0.079 0.000 0.747 22 L CB -0.790 41.309 42.059 0.066 0.000 0.896 22 L HN 0.182 nan 8.230 nan 0.000 0.432 23 T N -0.173 114.460 114.554 0.131 0.000 2.746 23 T HA -0.136 4.215 4.350 0.002 0.000 0.267 23 T C 1.929 176.799 174.700 0.284 0.000 1.039 23 T CA 1.236 63.442 62.100 0.176 0.000 1.142 23 T CB -0.592 68.368 68.868 0.153 0.000 0.866 23 T HN 0.525 nan 8.240 nan 0.000 0.444 24 A N 1.547 124.508 122.820 0.235 0.000 1.908 24 A HA -0.198 4.122 4.320 0.002 0.000 0.218 24 A C 2.280 180.018 177.584 0.257 0.000 1.181 24 A CA 1.615 53.812 52.037 0.267 0.000 0.627 24 A CB -0.722 18.370 19.000 0.154 0.000 0.818 24 A HN 0.549 nan 8.150 nan 0.000 0.445 25 Q N -2.111 117.789 119.800 0.168 0.000 2.170 25 Q HA -0.218 4.123 4.340 0.002 0.000 0.203 25 Q C 1.862 177.922 176.000 0.101 0.000 0.976 25 Q CA 1.647 57.510 55.803 0.100 0.000 0.858 25 Q CB -0.392 28.367 28.738 0.036 0.000 0.907 25 Q HN 0.860 nan 8.270 nan 0.000 0.433 26 Y N -0.252 120.042 120.300 -0.009 0.000 2.151 26 Y HA -0.340 4.210 4.550 0.002 0.000 0.284 26 Y C 1.345 177.097 175.900 -0.248 0.000 1.166 26 Y CA 1.803 59.818 58.100 -0.143 0.000 1.163 26 Y CB -0.074 38.238 38.460 -0.246 0.000 0.974 26 Y HN 0.122 nan 8.280 nan 0.000 0.511 27 Y N -1.587 118.834 120.300 0.201 0.000 2.347 27 Y HA -0.033 4.518 4.550 0.002 0.000 0.294 27 Y C 2.428 178.343 175.900 0.026 0.000 1.117 27 Y CA 1.245 59.403 58.100 0.096 0.000 1.184 27 Y CB -0.412 38.136 38.460 0.147 0.000 1.047 27 Y HN 0.103 nan 8.280 nan 0.000 0.546 28 V N -2.609 117.411 119.914 0.177 0.000 3.471 28 V HA 0.231 4.352 4.120 0.002 0.000 0.258 28 V C 0.387 176.519 176.094 0.063 0.000 1.192 28 V CA 0.115 62.483 62.300 0.112 0.000 1.116 28 V CB -0.453 31.436 31.823 0.110 0.000 0.792 28 V HN 0.056 nan 8.190 nan 0.000 0.459 29 L N 1.974 123.214 121.223 0.030 0.000 2.331 29 L HA 0.653 4.994 4.340 0.002 0.000 0.275 29 L C -0.295 176.590 176.870 0.024 0.000 1.022 29 L CA -0.712 54.145 54.840 0.029 0.000 0.812 29 L CB 1.899 43.898 42.059 -0.100 0.000 1.257 29 L HN 0.348 nan 8.230 nan 0.000 0.435 30 K N 1.899 122.367 120.400 0.113 0.000 2.395 30 K HA 0.674 4.995 4.320 0.002 0.000 0.247 30 K C -2.888 173.775 176.600 0.105 0.000 0.973 30 K CA -1.876 54.434 56.287 0.039 0.000 0.828 30 K CB 1.928 34.418 32.500 -0.017 0.000 1.272 30 K HN 0.114 nan 8.250 nan 0.000 0.439 31 P HA 0.016 nan 4.420 nan 0.000 0.271 31 P C -1.023 176.348 177.300 0.118 0.000 1.216 31 P CA -0.006 63.142 63.100 0.080 0.000 0.776 31 P CB 0.509 32.190 31.700 -0.032 0.000 0.881 32 E N 1.142 121.536 120.200 0.322 0.000 2.217 32 E HA 0.342 4.693 4.350 0.002 0.000 0.279 32 E C 0.273 176.900 176.600 0.045 0.000 1.068 32 E CA -0.560 55.915 56.400 0.125 0.000 0.882 32 E CB 0.459 30.199 29.700 0.067 0.000 1.039 32 E HN 0.438 nan 8.360 nan 0.000 0.418 33 A N 2.997 125.819 122.820 0.003 0.000 2.567 33 A HA 0.317 4.638 4.320 0.002 0.000 0.240 33 A C 1.426 178.994 177.584 -0.028 0.000 1.053 33 A CA 0.749 52.775 52.037 -0.017 0.000 0.755 33 A CB -0.365 18.619 19.000 -0.025 0.000 0.978 33 A HN 0.903 nan 8.150 nan 0.000 0.507 34 G N 1.634 110.416 108.800 -0.029 0.000 2.179 34 G HA2 -0.262 3.699 3.960 0.002 0.000 0.260 34 G HA3 -0.262 3.699 3.960 0.002 0.000 0.260 34 G C 0.306 175.171 174.900 -0.058 0.000 0.977 34 G CA 0.389 45.467 45.100 -0.036 0.000 0.641 34 G HN 1.110 nan 8.290 nan 0.000 0.533 35 N N 0.982 119.629 118.700 -0.089 0.000 2.462 35 N HA 0.607 5.348 4.740 0.002 0.000 0.242 35 N C 1.402 176.842 175.510 -0.117 0.000 1.010 35 N CA 0.596 53.539 53.050 -0.179 0.000 0.939 35 N CB 0.968 39.203 38.487 -0.420 0.000 1.127 35 N HN 0.462 nan 8.380 nan 0.000 0.509 36 A N 3.669 126.448 122.820 -0.068 0.000 2.019 36 A HA -0.118 4.203 4.320 0.002 0.000 0.219 36 A C 1.740 179.343 177.584 0.031 0.000 1.164 36 A CA 1.283 53.317 52.037 -0.004 0.000 0.644 36 A CB -0.230 18.770 19.000 0.001 0.000 0.805 36 A HN 0.798 nan 8.150 nan 0.000 0.449 37 E N -1.155 119.036 120.200 -0.015 0.000 2.274 37 E HA -0.117 4.234 4.350 0.002 0.000 0.194 37 E C 1.097 177.855 176.600 0.264 0.000 0.996 37 E CA 0.785 57.231 56.400 0.077 0.000 0.840 37 E CB -0.161 29.564 29.700 0.042 0.000 0.772 37 E HN 0.885 nan 8.360 nan 0.000 0.491 38 H N -0.762 118.384 119.070 0.128 0.000 2.539 38 H HA 0.324 4.881 4.556 0.002 0.000 0.269 38 H C 0.414 175.908 175.328 0.278 0.000 0.980 38 H CA -0.568 55.608 56.048 0.212 0.000 1.152 38 H CB 0.540 30.405 29.762 0.172 0.000 1.407 38 H HN 0.030 nan 8.280 nan 0.000 0.564 39 A N 1.270 124.260 122.820 0.284 0.000 2.313 39 A HA 0.297 4.618 4.320 0.002 0.000 0.261 39 A C 0.329 178.066 177.584 0.255 0.000 1.090 39 A CA -0.461 51.701 52.037 0.208 0.000 0.807 39 A CB 0.463 19.534 19.000 0.118 0.000 1.055 39 A HN 0.099 nan 8.150 nan 0.000 0.492 40 V N 1.480 121.481 119.914 0.145 0.000 2.572 40 V HA 0.121 4.242 4.120 0.002 0.000 0.291 40 V C 0.286 176.520 176.094 0.234 0.000 1.039 40 V CA 0.619 62.950 62.300 0.052 0.000 1.055 40 V CB 0.449 32.226 31.823 -0.077 0.000 0.969 40 V HN 0.776 nan 8.190 nan 0.000 0.482 41 K N 5.798 126.485 120.400 0.479 0.000 2.579 41 K HA 0.372 4.693 4.320 0.002 0.000 0.225 41 K C -1.089 175.731 176.600 0.367 0.000 0.992 41 K CA -0.243 56.241 56.287 0.328 0.000 1.018 41 K CB 1.232 33.861 32.500 0.215 0.000 1.249 41 K HN 0.543 nan 8.250 nan 0.000 0.489 42 F N 2.296 122.334 119.950 0.147 0.000 2.293 42 F HA 0.448 4.976 4.527 0.001 0.000 0.370 42 F C 0.451 176.297 175.800 0.077 0.000 1.090 42 F CA -0.240 57.835 58.000 0.126 0.000 1.133 42 F CB 0.639 39.693 39.000 0.089 0.000 1.360 42 F HN 0.531 nan 8.300 nan 0.000 0.489 43 G N 1.858 110.569 108.800 -0.149 0.000 3.008 43 G HA2 0.109 4.070 3.960 0.002 0.000 0.181 43 G HA3 0.109 4.070 3.960 0.002 0.000 0.181 43 G C 0.661 175.433 174.900 -0.213 0.000 1.309 43 G CA 0.217 45.252 45.100 -0.108 0.000 1.009 43 G HN 0.387 nan 8.290 nan 0.000 0.584 44 T N -0.377 114.098 114.554 -0.131 0.000 2.849 44 T HA -0.137 4.213 4.350 0.002 0.000 0.270 44 T C 1.932 176.541 174.700 -0.153 0.000 1.066 44 T CA 2.392 64.414 62.100 -0.129 0.000 1.130 44 T CB -0.482 68.329 68.868 -0.095 0.000 0.864 44 T HN 0.635 nan 8.240 nan 0.000 0.481 45 S N -0.340 115.257 115.700 -0.171 0.000 2.561 45 S HA 0.578 5.049 4.470 0.002 0.000 0.245 45 S C 1.087 175.534 174.600 -0.256 0.000 1.001 45 S CA 0.092 58.189 58.200 -0.172 0.000 1.002 45 S CB -0.222 62.904 63.200 -0.123 0.000 0.805 45 S HN 0.924 nan 8.310 nan 0.000 0.458 46 G N 1.620 110.131 108.800 -0.481 0.000 2.598 46 G HA2 -0.244 3.717 3.960 0.002 0.000 0.244 46 G HA3 -0.244 3.717 3.960 0.002 0.000 0.244 46 G C -0.495 174.164 174.900 -0.402 0.000 1.302 46 G CA 0.030 44.630 45.100 -0.834 0.000 0.903 46 G HN 0.994 nan 8.290 nan 0.000 0.575 47 H N 0.893 119.886 119.070 -0.129 0.000 2.467 47 H HA 0.788 5.345 4.556 0.001 0.000 0.326 47 H C 0.470 175.877 175.328 0.132 0.000 1.094 47 H CA -0.533 55.583 56.048 0.113 0.000 1.253 47 H CB 0.725 30.679 29.762 0.321 0.000 1.439 47 H HN 0.654 nan 8.280 nan 0.000 0.479 48 R N 3.341 123.534 120.500 -0.512 0.000 2.750 48 R HA 0.675 5.016 4.340 0.002 0.000 0.281 48 R C -0.678 175.330 176.300 -0.486 0.000 0.972 48 R CA -0.525 55.341 56.100 -0.389 0.000 0.912 48 R CB 2.354 32.477 30.300 -0.295 0.000 1.187 48 R HN 0.872 nan 8.270 nan 0.000 0.464 49 G N -0.280 108.358 108.800 -0.269 0.000 2.500 49 G HA2 0.390 4.351 3.960 0.002 0.000 0.299 49 G HA3 0.390 4.351 3.960 0.002 0.000 0.299 49 G C -1.605 173.230 174.900 -0.109 0.000 1.242 49 G CA -0.344 44.674 45.100 -0.138 0.000 0.859 49 G HN 0.428 nan 8.290 nan 0.000 0.481 50 S N -1.544 114.155 115.700 -0.002 0.000 2.546 50 S HA 0.598 5.069 4.470 0.002 0.000 0.272 50 S C 1.097 175.735 174.600 0.062 0.000 1.140 50 S CA 0.782 58.984 58.200 0.003 0.000 0.920 50 S CB 1.406 64.582 63.200 -0.040 0.000 1.083 50 S HN 1.858 nan 8.310 nan 0.000 0.476 51 A N 3.695 126.586 122.820 0.120 0.000 1.908 51 A HA 0.058 4.379 4.320 0.002 0.000 0.218 51 A C 2.003 179.532 177.584 -0.092 0.000 1.181 51 A CA 2.214 54.298 52.037 0.079 0.000 0.627 51 A CB -1.397 17.704 19.000 0.168 0.000 0.818 51 A HN 1.228 nan 8.150 nan 0.000 0.445 52 G N -1.290 107.466 108.800 -0.074 0.000 2.559 52 G HA2 -0.094 3.867 3.960 0.002 0.000 0.216 52 G HA3 -0.094 3.867 3.960 0.002 0.000 0.216 52 G C 1.443 176.233 174.900 -0.184 0.000 1.126 52 G CA 0.502 45.522 45.100 -0.134 0.000 0.778 52 G HN 0.560 nan 8.290 nan 0.000 0.543 53 R N -0.554 119.871 120.500 -0.126 0.000 2.468 53 R HA 0.165 4.506 4.340 0.002 0.000 0.280 53 R C 0.113 176.388 176.300 -0.041 0.000 0.963 53 R CA -0.384 55.707 56.100 -0.016 0.000 1.083 53 R CB 0.033 30.357 30.300 0.041 0.000 1.200 53 R HN 0.436 nan 8.270 nan 0.000 0.541 54 H N -0.585 118.387 119.070 -0.162 0.000 2.958 54 H HA -0.128 4.429 4.556 0.002 0.000 0.274 54 H C 0.294 175.553 175.328 -0.115 0.000 1.184 54 H CA 1.273 57.150 56.048 -0.284 0.000 1.143 54 H CB -1.668 27.586 29.762 -0.846 0.000 1.297 54 H HN 0.372 nan 8.280 nan 0.000 0.356 55 S N -1.026 114.685 115.700 0.019 0.000 2.730 55 S HA 0.378 4.849 4.470 0.002 0.000 0.244 55 S C -0.144 174.339 174.600 -0.196 0.000 1.022 55 S CA -0.452 57.714 58.200 -0.056 0.000 1.014 55 S CB 0.420 63.660 63.200 0.068 0.000 0.963 55 S HN 0.290 nan 8.310 nan 0.000 0.540 56 F N 1.829 121.599 119.950 -0.299 0.000 3.397 56 F HA 0.456 4.983 4.527 0.001 0.000 0.406 56 F C -1.227 174.585 175.800 0.020 0.000 1.166 56 F CA -0.374 57.546 58.000 -0.133 0.000 1.322 56 F CB 0.225 39.224 39.000 -0.001 0.000 2.322 56 F HN 0.056 nan 8.300 nan 0.000 0.709 57 N N 1.545 120.212 118.700 -0.054 0.000 2.629 57 N HA 0.272 5.013 4.740 0.002 0.000 0.279 57 N C 0.627 175.557 175.510 -0.965 0.000 1.344 57 N CA -0.844 51.912 53.050 -0.490 0.000 0.789 57 N CB 1.046 39.422 38.487 -0.185 0.000 1.508 57 N HN 0.454 nan 8.380 nan 0.000 0.516 58 E N 0.212 119.563 120.200 -1.416 0.000 2.070 58 E HA -0.144 4.207 4.350 0.002 0.000 0.197 58 E C -0.999 175.335 176.600 -0.443 0.000 1.004 58 E CA 1.737 57.557 56.400 -0.967 0.000 0.805 58 E CB -0.543 28.817 29.700 -0.567 0.000 0.744 58 E HN 0.405 nan 8.360 nan 0.000 0.451 59 P HA -0.153 nan 4.420 nan 0.000 0.217 59 P C 0.780 177.872 177.300 -0.347 0.000 1.150 59 P CA 1.283 64.189 63.100 -0.323 0.000 0.832 59 P CB -0.125 31.372 31.700 -0.338 0.000 0.787 60 H N -0.663 118.223 119.070 -0.306 0.000 2.319 60 H HA -0.103 4.454 4.556 0.001 0.000 0.299 60 H C 1.844 176.979 175.328 -0.322 0.000 1.092 60 H CA 1.193 57.040 56.048 -0.335 0.000 1.302 60 H CB -0.687 28.823 29.762 -0.420 0.000 1.373 60 H HN 0.084 nan 8.280 nan 0.000 0.497 61 I N 0.999 121.454 120.570 -0.191 0.000 2.353 61 I HA -0.173 3.998 4.170 0.002 0.000 0.248 61 I C 2.775 178.828 176.117 -0.106 0.000 1.119 61 I CA 0.631 61.845 61.300 -0.143 0.000 1.417 61 I CB -1.164 36.792 38.000 -0.073 0.000 1.078 61 I HN 0.159 nan 8.210 nan 0.000 0.421 62 L N 0.909 122.060 121.223 -0.119 0.000 2.012 62 L HA -0.225 4.116 4.340 0.002 0.000 0.210 62 L C 2.845 179.640 176.870 -0.126 0.000 1.073 62 L CA 1.706 56.483 54.840 -0.105 0.000 0.748 62 L CB -0.824 41.173 42.059 -0.104 0.000 0.891 62 L HN 0.203 nan 8.230 nan 0.000 0.431 63 A N 0.214 122.942 122.820 -0.153 0.000 1.877 63 A HA -0.175 4.146 4.320 0.002 0.000 0.216 63 A C 2.207 179.682 177.584 -0.182 0.000 1.186 63 A CA 1.568 53.509 52.037 -0.161 0.000 0.620 63 A CB -0.672 18.224 19.000 -0.173 0.000 0.822 63 A HN 0.343 nan 8.150 nan 0.000 0.443 64 I N -0.202 120.251 120.570 -0.195 0.000 2.179 64 I HA -0.294 3.877 4.170 0.002 0.000 0.242 64 I C 2.983 178.963 176.117 -0.227 0.000 1.088 64 I CA 1.122 62.272 61.300 -0.251 0.000 1.357 64 I CB -0.333 37.550 38.000 -0.195 0.000 1.051 64 I HN 0.359 nan 8.210 nan 0.000 0.409 65 A N 0.045 122.776 122.820 -0.149 0.000 1.902 65 A HA -0.302 4.019 4.320 0.002 0.000 0.217 65 A C 2.233 179.727 177.584 -0.151 0.000 1.181 65 A CA 2.070 54.032 52.037 -0.125 0.000 0.623 65 A CB -0.643 18.308 19.000 -0.083 0.000 0.818 65 A HN 0.441 nan 8.150 nan 0.000 0.443 66 Q N -0.159 119.553 119.800 -0.147 0.000 2.084 66 Q HA -0.013 4.328 4.340 0.002 0.000 0.202 66 Q C 2.037 177.936 176.000 -0.168 0.000 0.978 66 Q CA 2.149 57.867 55.803 -0.142 0.000 0.844 66 Q CB -0.591 28.073 28.738 -0.123 0.000 0.898 66 Q HN 0.547 nan 8.270 nan 0.000 0.426 67 A N 0.074 122.772 122.820 -0.205 0.000 1.902 67 A HA -0.126 4.195 4.320 0.002 0.000 0.217 67 A C 2.118 179.534 177.584 -0.281 0.000 1.181 67 A CA 1.467 53.363 52.037 -0.235 0.000 0.623 67 A CB -0.687 18.144 19.000 -0.281 0.000 0.818 67 A HN 0.482 nan 8.150 nan 0.000 0.443 68 I N -0.364 120.007 120.570 -0.331 0.000 2.252 68 I HA -0.244 3.927 4.170 0.002 0.000 0.245 68 I C 2.984 178.910 176.117 -0.319 0.000 1.102 68 I CA 0.921 61.966 61.300 -0.424 0.000 1.385 68 I CB -0.350 37.386 38.000 -0.440 0.000 1.064 68 I HN 0.351 nan 8.210 nan 0.000 0.414 69 A N 0.688 123.377 122.820 -0.218 0.000 1.883 69 A HA -0.264 4.057 4.320 0.002 0.000 0.217 69 A C 2.198 179.697 177.584 -0.143 0.000 1.186 69 A CA 2.015 53.956 52.037 -0.161 0.000 0.624 69 A CB -0.658 18.259 19.000 -0.137 0.000 0.822 69 A HN 0.466 nan 8.150 nan 0.000 0.444 70 E N -1.057 119.056 120.200 -0.145 0.000 2.072 70 E HA -0.193 4.158 4.350 0.002 0.000 0.191 70 E C 2.091 178.622 176.600 -0.116 0.000 0.985 70 E CA 1.205 57.535 56.400 -0.116 0.000 0.801 70 E CB -0.098 29.536 29.700 -0.111 0.000 0.750 70 E HN 0.687 nan 8.360 nan 0.000 0.452 71 E N 1.373 121.479 120.200 -0.158 0.000 2.047 71 E HA -0.201 4.150 4.350 0.002 0.000 0.191 71 E C 2.048 178.583 176.600 -0.108 0.000 0.987 71 E CA 1.553 57.867 56.400 -0.144 0.000 0.799 71 E CB -0.065 29.512 29.700 -0.204 0.000 0.752 71 E HN 0.237 nan 8.360 nan 0.000 0.449 72 R N 0.215 120.634 120.500 -0.135 0.000 2.096 72 R HA -0.016 4.325 4.340 0.002 0.000 0.235 72 R C 2.204 178.488 176.300 -0.026 0.000 1.127 72 R CA 1.439 57.512 56.100 -0.045 0.000 0.968 72 R CB -0.595 29.691 30.300 -0.025 0.000 0.861 72 R HN 0.153 nan 8.270 nan 0.000 0.440 73 A N 2.217 125.007 122.820 -0.049 0.000 1.898 73 A HA -0.169 4.152 4.320 0.002 0.000 0.216 73 A C 2.211 179.779 177.584 -0.027 0.000 1.181 73 A CA 1.540 53.555 52.037 -0.036 0.000 0.620 73 A CB -0.544 18.427 19.000 -0.048 0.000 0.819 73 A HN 0.472 nan 8.150 nan 0.000 0.442 74 K N -0.206 120.173 120.400 -0.035 0.000 2.160 74 K HA -0.187 4.134 4.320 0.002 0.000 0.206 74 K C 0.547 177.139 176.600 -0.012 0.000 1.047 74 K CA 1.694 57.965 56.287 -0.026 0.000 0.930 74 K CB -0.218 32.260 32.500 -0.036 0.000 0.720 74 K HN 0.421 nan 8.250 nan 0.000 0.450 75 N N 0.056 118.752 118.700 -0.005 0.000 2.314 75 N HA 0.039 4.780 4.740 0.002 0.000 0.200 75 N C 0.399 175.918 175.510 0.015 0.000 1.135 75 N CA 0.892 53.948 53.050 0.010 0.000 0.835 75 N CB 0.846 39.348 38.487 0.026 0.000 0.989 75 N HN 0.458 nan 8.380 nan 0.000 0.478 76 G N 1.253 110.058 108.800 0.009 0.000 2.198 76 G HA2 -0.292 3.669 3.960 0.002 0.000 0.260 76 G HA3 -0.292 3.669 3.960 0.002 0.000 0.260 76 G C 0.023 174.936 174.900 0.022 0.000 1.025 76 G CA -0.128 44.979 45.100 0.013 0.000 0.769 76 G HN 0.382 nan 8.290 nan 0.000 0.507 77 I N 1.483 122.068 120.570 0.025 0.000 2.379 77 I HA 0.336 4.507 4.170 0.002 0.000 0.290 77 I C 1.562 177.692 176.117 0.021 0.000 1.063 77 I CA 0.614 61.934 61.300 0.035 0.000 1.351 77 I CB 1.154 39.187 38.000 0.055 0.000 1.410 77 I HN 0.260 nan 8.210 nan 0.000 0.505 78 T N 0.698 115.268 114.554 0.026 0.000 3.043 78 T HA 0.244 4.595 4.350 0.002 0.000 0.272 78 T C 0.862 175.574 174.700 0.019 0.000 0.990 78 T CA -0.108 62.002 62.100 0.018 0.000 0.897 78 T CB 0.262 69.144 68.868 0.024 0.000 1.111 78 T HN 0.553 nan 8.240 nan 0.000 0.529 79 G N 2.869 111.683 108.800 0.024 0.000 2.525 79 G HA2 0.547 4.508 3.960 0.002 0.000 0.276 79 G HA3 0.547 4.508 3.960 0.002 0.000 0.276 79 G C -2.491 172.360 174.900 -0.082 0.000 1.388 79 G CA -1.269 43.830 45.100 -0.001 0.000 1.050 79 G HN 0.276 nan 8.290 nan 0.000 0.520 80 P HA 0.237 nan 4.420 nan 0.000 0.276 80 P C -0.796 176.366 177.300 -0.230 0.000 1.244 80 P CA -0.414 62.537 63.100 -0.248 0.000 0.801 80 P CB 1.375 32.831 31.700 -0.407 0.000 1.006 81 C N 3.811 123.008 119.300 -0.172 0.000 2.255 81 C HA 0.414 4.875 4.460 0.002 0.000 0.326 81 C C -0.312 174.618 174.990 -0.099 0.000 1.258 81 C CA -0.589 58.391 59.018 -0.063 0.000 1.676 81 C CB -1.939 25.804 27.740 0.004 0.000 2.314 81 C HN 0.415 nan 8.230 nan 0.000 0.509 82 Y N 4.775 125.071 120.300 -0.007 0.000 2.531 82 Y HA 0.339 4.890 4.550 0.001 0.000 0.347 82 Y C 0.613 176.551 175.900 0.063 0.000 1.024 82 Y CA 0.278 58.389 58.100 0.019 0.000 1.306 82 Y CB 0.573 39.031 38.460 -0.003 0.000 1.149 82 Y HN 0.462 nan 8.280 nan 0.000 0.527 83 V N 4.376 124.421 119.914 0.218 0.000 2.313 83 V HA 0.588 4.708 4.120 0.002 0.000 0.278 83 V C 0.477 176.750 176.094 0.298 0.000 1.017 83 V CA -0.706 61.745 62.300 0.250 0.000 0.823 83 V CB 0.997 32.956 31.823 0.227 0.000 1.010 83 V HN 0.896 nan 8.190 nan 0.000 0.443 84 G N 4.373 113.304 108.800 0.218 0.000 2.432 84 G HA2 0.776 4.737 3.960 0.002 0.000 0.331 84 G HA3 0.776 4.737 3.960 0.002 0.000 0.331 84 G C -0.838 174.138 174.900 0.126 0.000 1.170 84 G CA -0.758 44.422 45.100 0.133 0.000 0.943 84 G HN 0.734 nan 8.290 nan 0.000 0.483 85 K N 0.241 120.675 120.400 0.056 0.000 2.435 85 K HA 0.572 4.893 4.320 0.002 0.000 0.251 85 K C -1.190 175.521 176.600 0.186 0.000 0.954 85 K CA -0.911 55.437 56.287 0.102 0.000 0.820 85 K CB 2.596 35.106 32.500 0.016 0.000 1.292 85 K HN 0.523 nan 8.250 nan 0.000 0.436 86 D N 0.381 120.889 120.400 0.180 0.000 2.539 86 D HA 0.036 4.677 4.640 0.002 0.000 0.280 86 D C 0.622 176.968 176.300 0.075 0.000 1.208 86 D CA -0.258 53.828 54.000 0.143 0.000 1.088 86 D CB 0.556 41.442 40.800 0.144 0.000 1.149 86 D HN 0.649 nan 8.370 nan 0.000 0.596 87 T N -4.205 110.260 114.554 -0.148 0.000 3.144 87 T HA 0.110 4.461 4.350 0.002 0.000 0.249 87 T C 0.382 175.069 174.700 -0.022 0.000 1.089 87 T CA -0.146 61.713 62.100 -0.403 0.000 0.989 87 T CB -0.912 67.603 68.868 -0.588 0.000 0.992 87 T HN 0.331 nan 8.240 nan 0.000 0.540 88 H N 0.858 119.998 119.070 0.117 0.000 2.871 88 H HA 0.537 5.094 4.556 0.002 0.000 0.355 88 H C 1.686 177.065 175.328 0.085 0.000 1.092 88 H CA 0.497 56.634 56.048 0.149 0.000 1.420 88 H CB 0.779 30.552 29.762 0.019 0.000 1.400 88 H HN 0.233 nan 8.280 nan 0.000 0.604 89 A N 3.544 126.472 122.820 0.181 0.000 1.873 89 A HA -0.181 4.140 4.320 0.002 0.000 0.218 89 A C 2.147 179.789 177.584 0.097 0.000 1.193 89 A CA 1.546 53.651 52.037 0.113 0.000 0.629 89 A CB -0.725 18.330 19.000 0.093 0.000 0.826 89 A HN 0.724 nan 8.150 nan 0.000 0.447 90 L N 0.171 121.442 121.223 0.079 0.000 2.456 90 L HA -0.093 4.248 4.340 0.002 0.000 0.224 90 L C 2.402 179.333 176.870 0.102 0.000 1.148 90 L CA 0.811 55.682 54.840 0.052 0.000 0.825 90 L CB -0.286 41.770 42.059 -0.005 0.000 0.937 90 L HN 0.322 nan 8.230 nan 0.000 0.450 91 S N -0.539 115.232 115.700 0.118 0.000 2.423 91 S HA -0.113 4.358 4.470 0.002 0.000 0.231 91 S C 1.755 176.461 174.600 0.177 0.000 1.014 91 S CA 0.795 59.100 58.200 0.174 0.000 0.965 91 S CB -0.050 63.257 63.200 0.177 0.000 0.785 91 S HN 0.438 nan 8.310 nan 0.000 0.495 92 E N 1.240 121.515 120.200 0.126 0.000 2.015 92 E HA -0.059 4.292 4.350 0.002 0.000 0.191 92 E C -0.579 176.088 176.600 0.111 0.000 0.991 92 E CA 1.154 57.633 56.400 0.132 0.000 0.802 92 E CB -1.730 28.037 29.700 0.111 0.000 0.759 92 E HN 0.419 nan 8.360 nan 0.000 0.447 93 P HA -0.058 nan 4.420 nan 0.000 0.217 93 P C 1.298 178.417 177.300 -0.302 0.000 1.151 93 P CA 1.633 64.557 63.100 -0.293 0.000 0.828 93 P CB -0.025 31.098 31.700 -0.962 0.000 0.788 94 A N -0.095 122.597 122.820 -0.213 0.000 1.902 94 A HA -0.198 4.123 4.320 0.002 0.000 0.217 94 A C 2.157 179.850 177.584 0.183 0.000 1.181 94 A CA 1.430 53.529 52.037 0.104 0.000 0.623 94 A CB -1.892 17.315 19.000 0.344 0.000 0.818 94 A HN 0.138 nan 8.150 nan 0.000 0.443 95 F N 0.825 120.817 119.950 0.069 0.000 2.091 95 F HA -0.218 4.309 4.527 0.001 0.000 0.299 95 F C 1.930 177.766 175.800 0.061 0.000 1.103 95 F CA 1.960 60.003 58.000 0.072 0.000 1.228 95 F CB -0.294 38.747 39.000 0.070 0.000 0.984 95 F HN 0.201 nan 8.300 nan 0.000 0.477 96 I N -0.560 120.037 120.570 0.045 0.000 2.226 96 I HA -0.320 3.851 4.170 0.002 0.000 0.245 96 I C 2.472 178.564 176.117 -0.041 0.000 1.100 96 I CA 1.465 62.735 61.300 -0.050 0.000 1.374 96 I CB -0.795 37.267 38.000 0.104 0.000 1.057 96 I HN 0.067 nan 8.210 nan 0.000 0.413 97 S N 0.385 116.116 115.700 0.052 0.000 2.370 97 S HA -0.150 4.321 4.470 0.002 0.000 0.226 97 S C 2.127 176.716 174.600 -0.017 0.000 1.033 97 S CA 1.300 59.538 58.200 0.062 0.000 1.011 97 S CB -0.348 62.939 63.200 0.145 0.000 0.852 97 S HN 0.230 nan 8.310 nan 0.000 0.457 98 V N 2.348 122.236 119.914 -0.043 0.000 2.295 98 V HA -0.163 3.958 4.120 0.002 0.000 0.246 98 V C 2.197 178.209 176.094 -0.137 0.000 1.049 98 V CA 1.512 63.768 62.300 -0.073 0.000 1.024 98 V CB -0.766 31.037 31.823 -0.033 0.000 0.648 98 V HN 0.444 nan 8.190 nan 0.000 0.447 99 L N -0.427 120.653 121.223 -0.239 0.000 2.046 99 L HA -0.210 4.131 4.340 0.002 0.000 0.208 99 L C 2.574 179.366 176.870 -0.131 0.000 1.077 99 L CA 1.818 56.518 54.840 -0.233 0.000 0.747 99 L CB -0.803 41.051 42.059 -0.343 0.000 0.896 99 L HN 0.409 nan 8.230 nan 0.000 0.432 100 E N -0.196 119.947 120.200 -0.096 0.000 2.085 100 E HA -0.195 4.156 4.350 0.002 0.000 0.194 100 E C 2.257 178.824 176.600 -0.055 0.000 0.994 100 E CA 1.407 57.777 56.400 -0.051 0.000 0.801 100 E CB -0.026 29.665 29.700 -0.017 0.000 0.743 100 E HN 0.279 nan 8.360 nan 0.000 0.453 101 V N 1.140 121.014 119.914 -0.067 0.000 2.407 101 V HA -0.183 3.938 4.120 0.002 0.000 0.245 101 V C 2.256 178.290 176.094 -0.100 0.000 1.041 101 V CA 1.106 63.361 62.300 -0.075 0.000 1.040 101 V CB -0.335 31.442 31.823 -0.077 0.000 0.671 101 V HN 0.250 nan 8.190 nan 0.000 0.455 102 L N 0.291 121.445 121.223 -0.115 0.000 2.017 102 L HA -0.161 4.180 4.340 0.002 0.000 0.208 102 L C 2.786 179.527 176.870 -0.214 0.000 1.073 102 L CA 1.747 56.498 54.840 -0.149 0.000 0.745 102 L CB -0.861 41.116 42.059 -0.135 0.000 0.894 102 L HN 0.373 nan 8.230 nan 0.000 0.432 103 A N 0.078 122.792 122.820 -0.176 0.000 1.902 103 A HA -0.180 4.141 4.320 0.002 0.000 0.217 103 A C 2.503 180.021 177.584 -0.110 0.000 1.181 103 A CA 1.723 53.656 52.037 -0.173 0.000 0.623 103 A CB -0.677 18.339 19.000 0.026 0.000 0.818 103 A HN 0.423 nan 8.150 nan 0.000 0.443 104 A N -0.176 122.602 122.820 -0.070 0.000 2.019 104 A HA -0.149 4.172 4.320 0.002 0.000 0.219 104 A C 1.711 179.254 177.584 -0.069 0.000 1.164 104 A CA 1.455 53.466 52.037 -0.044 0.000 0.644 104 A CB -0.484 18.492 19.000 -0.040 0.000 0.805 104 A HN 0.583 nan 8.150 nan 0.000 0.449 105 N N -0.760 117.869 118.700 -0.119 0.000 2.322 105 N HA 0.140 4.881 4.740 0.002 0.000 0.194 105 N C 0.931 176.348 175.510 -0.155 0.000 1.126 105 N CA 0.817 53.795 53.050 -0.119 0.000 0.845 105 N CB 0.383 38.797 38.487 -0.121 0.000 0.976 105 N HN 0.602 nan 8.380 nan 0.000 0.475 106 G N 0.622 109.277 108.800 -0.243 0.000 2.147 106 G HA2 -0.249 3.712 3.960 0.002 0.000 0.244 106 G HA3 -0.249 3.712 3.960 0.002 0.000 0.244 106 G C -0.064 174.561 174.900 -0.459 0.000 1.005 106 G CA -0.050 44.877 45.100 -0.288 0.000 0.713 106 G HN 0.170 nan 8.290 nan 0.000 0.515 107 V N 1.408 120.986 119.914 -0.560 0.000 2.407 107 V HA 0.350 4.471 4.120 0.002 0.000 0.278 107 V C 0.161 176.037 176.094 -0.364 0.000 1.037 107 V CA -0.979 61.118 62.300 -0.339 0.000 0.900 107 V CB 1.509 33.203 31.823 -0.214 0.000 0.983 107 V HN 0.275 nan 8.190 nan 0.000 0.459 108 D N 3.665 123.993 120.400 -0.120 0.000 2.389 108 D HA 0.335 4.975 4.640 0.002 0.000 0.247 108 D C -0.267 175.984 176.300 -0.081 0.000 1.128 108 D CA 0.183 54.183 54.000 -0.001 0.000 0.884 108 D CB 1.882 42.703 40.800 0.035 0.000 1.194 108 D HN 0.237 nan 8.370 nan 0.000 0.441 109 V N 3.424 123.299 119.914 -0.065 0.000 2.604 109 V HA 0.439 4.560 4.120 0.002 0.000 0.305 109 V C 0.272 176.296 176.094 -0.116 0.000 1.043 109 V CA -0.783 61.459 62.300 -0.096 0.000 0.888 109 V CB 1.946 33.726 31.823 -0.071 0.000 0.995 109 V HN 0.357 nan 8.190 nan 0.000 0.429 110 I N 5.062 125.515 120.570 -0.196 0.000 2.406 110 I HA 0.645 4.816 4.170 0.002 0.000 0.290 110 I C -0.421 175.698 176.117 0.002 0.000 0.999 110 I CA -0.799 60.395 61.300 -0.177 0.000 1.124 110 I CB 1.964 39.681 38.000 -0.471 0.000 1.289 110 I HN 0.529 nan 8.210 nan 0.000 0.441 111 V N 2.518 122.483 119.914 0.084 0.000 3.001 111 V HA 0.556 4.677 4.120 0.002 0.000 0.314 111 V C -0.490 175.673 176.094 0.115 0.000 1.099 111 V CA -0.963 61.442 62.300 0.175 0.000 0.989 111 V CB 1.753 33.760 31.823 0.308 0.000 1.040 111 V HN 0.737 nan 8.190 nan 0.000 0.434 112 Q N 2.340 122.183 119.800 0.073 0.000 2.313 112 Q HA 0.230 4.571 4.340 0.002 0.000 0.266 112 Q C 0.341 176.324 176.000 -0.028 0.000 0.989 112 Q CA 0.396 56.204 55.803 0.007 0.000 0.890 112 Q CB 0.601 29.312 28.738 -0.044 0.000 1.200 112 Q HN 0.976 nan 8.270 nan 0.000 0.396 113 E N 3.552 123.738 120.200 -0.023 0.000 2.408 113 E HA -0.036 4.315 4.350 0.002 0.000 0.259 113 E C -0.465 176.092 176.600 -0.072 0.000 1.110 113 E CA -0.168 56.215 56.400 -0.029 0.000 0.929 113 E CB 0.291 29.979 29.700 -0.019 0.000 0.971 113 E HN 0.725 nan 8.360 nan 0.000 0.438 114 N N 1.240 119.903 118.700 -0.062 0.000 2.725 114 N HA -0.273 4.468 4.740 0.002 0.000 0.249 114 N C -0.456 174.961 175.510 -0.155 0.000 1.103 114 N CA 1.254 54.252 53.050 -0.085 0.000 0.707 114 N CB -1.788 36.651 38.487 -0.080 0.000 1.043 114 N HN 0.890 nan 8.380 nan 0.000 0.553 115 N N -1.498 117.100 118.700 -0.170 0.000 2.696 115 N HA -0.181 4.560 4.740 0.002 0.000 0.249 115 N C 0.575 175.749 175.510 -0.560 0.000 1.090 115 N CA 1.300 54.168 53.050 -0.303 0.000 0.716 115 N CB -0.878 37.478 38.487 -0.219 0.000 1.020 115 N HN 0.660 nan 8.380 nan 0.000 0.548 116 G N -1.150 107.362 108.800 -0.480 0.000 2.621 116 G HA2 0.461 4.422 3.960 0.002 0.000 0.271 116 G HA3 0.461 4.422 3.960 0.002 0.000 0.271 116 G C -0.243 174.225 174.900 -0.720 0.000 1.236 116 G CA -0.448 44.285 45.100 -0.611 0.000 0.958 116 G HN 0.159 nan 8.290 nan 0.000 0.512 117 F N -1.292 118.616 119.950 -0.070 0.000 2.470 117 F HA 0.581 5.109 4.527 0.001 0.000 0.329 117 F C 0.596 176.366 175.800 -0.051 0.000 1.072 117 F CA -0.602 57.350 58.000 -0.080 0.000 0.989 117 F CB 2.503 41.460 39.000 -0.073 0.000 1.193 117 F HN 0.196 nan 8.300 nan 0.000 0.481 118 T N 2.899 117.507 114.554 0.090 0.000 2.949 118 T HA 0.369 4.720 4.350 0.002 0.000 0.300 118 T C -2.813 171.784 174.700 -0.172 0.000 0.988 118 T CA -1.496 60.581 62.100 -0.039 0.000 0.993 118 T CB 1.775 70.646 68.868 0.004 0.000 0.984 118 T HN 0.110 nan 8.240 nan 0.000 0.442 119 P HA 0.135 nan 4.420 nan 0.000 0.267 119 P C 1.082 178.238 177.300 -0.242 0.000 1.200 119 P CA -0.004 62.867 63.100 -0.382 0.000 0.772 119 P CB 0.431 31.719 31.700 -0.686 0.000 0.855 120 T N 3.822 118.300 114.554 -0.126 0.000 2.653 120 T HA -0.115 4.236 4.350 0.002 0.000 0.268 120 T C -0.765 173.862 174.700 -0.121 0.000 1.035 120 T CA 2.210 64.254 62.100 -0.095 0.000 1.154 120 T CB -1.623 67.206 68.868 -0.065 0.000 0.862 120 T HN 0.585 nan 8.240 nan 0.000 0.441 121 P HA 0.100 nan 4.420 nan 0.000 0.223 121 P C 1.234 178.488 177.300 -0.076 0.000 1.151 121 P CA 0.993 64.057 63.100 -0.060 0.000 0.787 121 P CB -0.108 31.630 31.700 0.064 0.000 0.788 122 A N 0.062 122.702 122.820 -0.300 0.000 1.929 122 A HA -0.059 4.262 4.320 0.002 0.000 0.216 122 A C 2.401 179.878 177.584 -0.179 0.000 1.176 122 A CA 1.315 53.168 52.037 -0.306 0.000 0.628 122 A CB -1.518 17.158 19.000 -0.541 0.000 0.816 122 A HN 0.028 nan 8.150 nan 0.000 0.444 123 V N -0.452 119.358 119.914 -0.172 0.000 2.261 123 V HA -0.230 3.891 4.120 0.002 0.000 0.246 123 V C 2.796 178.768 176.094 -0.203 0.000 1.047 123 V CA 2.329 64.533 62.300 -0.160 0.000 1.015 123 V CB -0.946 30.836 31.823 -0.068 0.000 0.642 123 V HN 0.645 nan 8.190 nan 0.000 0.446 124 S N 0.193 115.800 115.700 -0.155 0.000 2.359 124 S HA -0.308 4.163 4.470 0.002 0.000 0.223 124 S C 2.108 176.585 174.600 -0.205 0.000 1.039 124 S CA 2.262 60.374 58.200 -0.146 0.000 1.042 124 S CB -0.696 62.444 63.200 -0.100 0.000 0.915 124 S HN 0.716 nan 8.310 nan 0.000 0.439 125 N N 0.930 119.470 118.700 -0.267 0.000 2.120 125 N HA -0.120 4.621 4.740 0.002 0.000 0.188 125 N C 1.931 177.235 175.510 -0.344 0.000 1.024 125 N CA 1.470 54.267 53.050 -0.422 0.000 0.852 125 N CB -0.495 37.614 38.487 -0.630 0.000 1.003 125 N HN 0.475 nan 8.380 nan 0.000 0.424 126 A N 1.485 124.091 122.820 -0.358 0.000 1.908 126 A HA -0.108 4.213 4.320 0.002 0.000 0.218 126 A C 2.362 179.625 177.584 -0.534 0.000 1.181 126 A CA 1.069 52.785 52.037 -0.534 0.000 0.627 126 A CB -0.667 17.782 19.000 -0.918 0.000 0.818 126 A HN 0.383 nan 8.150 nan 0.000 0.445 127 I N -0.499 119.809 120.570 -0.437 0.000 2.179 127 I HA -0.271 3.900 4.170 0.002 0.000 0.242 127 I C 2.435 178.550 176.117 -0.002 0.000 1.088 127 I CA 1.231 62.442 61.300 -0.148 0.000 1.357 127 I CB -0.340 37.603 38.000 -0.095 0.000 1.051 127 I HN 0.301 nan 8.210 nan 0.000 0.409 128 L N -0.230 120.966 121.223 -0.046 0.000 2.017 128 L HA -0.197 4.144 4.340 0.002 0.000 0.208 128 L C 2.590 179.474 176.870 0.024 0.000 1.073 128 L CA 1.061 55.919 54.840 0.029 0.000 0.745 128 L CB -0.624 41.431 42.059 -0.006 0.000 0.894 128 L HN 0.076 nan 8.230 nan 0.000 0.432 129 V N -0.742 119.147 119.914 -0.042 0.000 2.343 129 V HA -0.339 3.781 4.120 0.002 0.000 0.247 129 V C 2.539 178.660 176.094 0.045 0.000 1.051 129 V CA 1.942 64.230 62.300 -0.021 0.000 1.036 129 V CB -0.861 30.922 31.823 -0.066 0.000 0.654 129 V HN 0.536 nan 8.190 nan 0.000 0.451 130 H N 0.917 119.997 119.070 0.017 0.000 2.290 130 H HA -0.157 4.400 4.556 0.002 0.000 0.298 130 H C 2.161 177.538 175.328 0.082 0.000 1.087 130 H CA 2.164 58.269 56.048 0.095 0.000 1.291 130 H CB -0.038 29.855 29.762 0.217 0.000 1.369 130 H HN 0.380 nan 8.280 nan 0.000 0.492 131 N N 0.539 119.383 118.700 0.240 0.000 2.396 131 N HA -0.094 4.647 4.740 0.002 0.000 0.180 131 N C 2.170 177.740 175.510 0.100 0.000 1.028 131 N CA 1.376 54.544 53.050 0.196 0.000 0.893 131 N CB -0.316 38.302 38.487 0.217 0.000 0.967 131 N HN 0.501 nan 8.380 nan 0.000 0.440 132 K N 1.615 122.053 120.400 0.064 0.000 2.211 132 K HA -0.097 4.224 4.320 0.002 0.000 0.204 132 K C 1.866 178.468 176.600 0.004 0.000 1.047 132 K CA 1.402 57.705 56.287 0.027 0.000 0.935 132 K CB -0.695 31.811 32.500 0.010 0.000 0.728 132 K HN 0.334 nan 8.250 nan 0.000 0.452 133 K N -1.488 118.895 120.400 -0.028 0.000 2.486 133 K HA 0.159 4.480 4.320 0.002 0.000 0.194 133 K C 1.181 177.763 176.600 -0.031 0.000 1.033 133 K CA 0.450 56.707 56.287 -0.051 0.000 1.004 133 K CB 0.161 32.596 32.500 -0.110 0.000 0.798 133 K HN 0.556 nan 8.250 nan 0.000 0.495 134 G N 0.789 109.588 108.800 -0.001 0.000 2.143 134 G HA2 -0.256 3.705 3.960 0.002 0.000 0.248 134 G HA3 -0.256 3.705 3.960 0.002 0.000 0.248 134 G C 0.395 175.310 174.900 0.025 0.000 0.991 134 G CA 0.056 45.169 45.100 0.022 0.000 0.689 134 G HN 0.516 nan 8.290 nan 0.000 0.522 135 G N -0.166 108.645 108.800 0.019 0.000 2.695 135 G HA2 0.717 4.678 3.960 0.002 0.000 0.213 135 G HA3 0.717 4.678 3.960 0.002 0.000 0.213 135 G C -1.993 172.960 174.900 0.089 0.000 1.406 135 G CA -0.518 44.606 45.100 0.041 0.000 1.049 135 G HN 0.276 nan 8.290 nan 0.000 0.573 136 P HA 0.191 nan 4.420 nan 0.000 0.264 136 P C -0.423 176.990 177.300 0.188 0.000 1.183 136 P CA 0.117 63.292 63.100 0.124 0.000 0.763 136 P CB 0.483 32.251 31.700 0.112 0.000 0.807 137 L N 1.984 123.285 121.223 0.130 0.000 2.331 137 L HA 0.423 4.764 4.340 0.002 0.000 0.278 137 L C 0.857 177.773 176.870 0.076 0.000 1.106 137 L CA -0.581 54.341 54.840 0.137 0.000 0.824 137 L CB 0.598 42.711 42.059 0.091 0.000 1.142 137 L HN 0.408 nan 8.230 nan 0.000 0.443 138 A N 2.713 125.564 122.820 0.052 0.000 2.302 138 A HA 0.594 4.915 4.320 0.002 0.000 0.285 138 A C -0.625 176.982 177.584 0.038 0.000 1.105 138 A CA -0.499 51.498 52.037 -0.068 0.000 0.816 138 A CB 0.663 19.527 19.000 -0.227 0.000 1.067 138 A HN 0.801 nan 8.150 nan 0.000 0.489 139 D N -0.448 119.987 120.400 0.058 0.000 2.904 139 D HA 0.758 5.399 4.640 0.002 0.000 0.290 139 D C -0.128 176.237 176.300 0.107 0.000 1.180 139 D CA -0.003 54.024 54.000 0.045 0.000 1.065 139 D CB 0.837 41.673 40.800 0.061 0.000 1.386 139 D HN 0.940 nan 8.370 nan 0.000 0.599 140 G N -1.267 107.555 108.800 0.036 0.000 2.698 140 G HA2 0.586 4.547 3.960 0.002 0.000 0.293 140 G HA3 0.586 4.547 3.960 0.002 0.000 0.293 140 G C -1.583 173.398 174.900 0.134 0.000 1.437 140 G CA -0.817 44.346 45.100 0.104 0.000 0.852 140 G HN 0.442 nan 8.290 nan 0.000 0.499 141 I N 0.664 121.347 120.570 0.188 0.000 2.498 141 I HA 0.430 4.601 4.170 0.002 0.000 0.290 141 I C -0.548 175.674 176.117 0.175 0.000 1.032 141 I CA -1.107 60.327 61.300 0.224 0.000 1.073 141 I CB 2.464 40.608 38.000 0.240 0.000 1.251 141 I HN 0.167 nan 8.210 nan 0.000 0.426 142 V N 7.155 127.159 119.914 0.150 0.000 2.384 142 V HA 0.423 4.544 4.120 0.002 0.000 0.287 142 V C 0.018 176.199 176.094 0.145 0.000 1.020 142 V CA -0.476 61.895 62.300 0.117 0.000 0.850 142 V CB 1.642 33.496 31.823 0.052 0.000 0.987 142 V HN 0.469 nan 8.190 nan 0.000 0.436 143 I N 4.686 125.356 120.570 0.166 0.000 2.310 143 I HA 0.530 4.701 4.170 0.002 0.000 0.287 143 I C 0.141 176.331 176.117 0.121 0.000 1.073 143 I CA 0.384 61.799 61.300 0.193 0.000 1.216 143 I CB 1.095 39.253 38.000 0.263 0.000 1.415 143 I HN 0.741 nan 8.210 nan 0.000 0.480 144 T N 6.617 121.202 114.554 0.052 0.000 3.087 144 T HA 0.345 4.696 4.350 0.002 0.000 0.351 144 T C -2.717 171.883 174.700 -0.167 0.000 1.520 144 T CA -0.826 61.246 62.100 -0.047 0.000 1.111 144 T CB 2.122 70.990 68.868 -0.000 0.000 1.353 144 T HN 0.278 nan 8.240 nan 0.000 0.481 145 P HA 0.296 nan 4.420 nan 0.000 0.262 145 P C 0.703 177.784 177.300 -0.366 0.000 1.651 145 P CA 0.154 63.008 63.100 -0.411 0.000 1.119 145 P CB 0.019 31.357 31.700 -0.604 0.000 1.552 146 S N 2.225 117.791 115.700 -0.223 0.000 4.059 146 S HA -0.275 4.195 4.470 0.002 0.000 0.624 146 S C 1.127 175.688 174.600 -0.064 0.000 2.019 146 S CA 1.877 60.013 58.200 -0.106 0.000 4.197 146 S CB -2.030 61.096 63.200 -0.123 0.000 0.215 146 S HN 0.634 nan 8.310 nan 0.000 0.609 147 H N 1.528 120.551 119.070 -0.078 0.000 2.526 147 H HA 0.540 5.097 4.556 0.001 0.000 0.274 147 H C 0.569 175.834 175.328 -0.105 0.000 0.999 147 H CA 0.077 56.081 56.048 -0.074 0.000 1.157 147 H CB -0.632 29.085 29.762 -0.074 0.000 1.407 147 H HN 0.263 nan 8.280 nan 0.000 0.568 148 N N 2.492 121.007 118.700 -0.308 0.000 2.305 148 N HA 0.009 4.749 4.740 0.002 0.000 0.232 148 N C -2.305 173.139 175.510 -0.111 0.000 1.274 148 N CA -1.204 51.697 53.050 -0.248 0.000 0.870 148 N CB 0.162 38.452 38.487 -0.328 0.000 1.105 148 N HN 0.237 nan 8.380 nan 0.000 0.436 149 P HA 0.058 nan 4.420 nan 0.000 0.271 149 P C -1.702 175.569 177.300 -0.048 0.000 1.238 149 P CA -0.710 62.325 63.100 -0.108 0.000 0.794 149 P CB 0.078 31.721 31.700 -0.095 0.000 0.959 150 P HA -0.183 nan 4.420 nan 0.000 0.221 150 P C 1.103 178.462 177.300 0.099 0.000 1.145 150 P CA 1.371 64.478 63.100 0.012 0.000 0.795 150 P CB -0.281 31.468 31.700 0.082 0.000 0.775 151 E N -1.014 119.200 120.200 0.023 0.000 2.502 151 E HA -0.017 4.334 4.350 0.002 0.000 0.194 151 E C -0.212 176.358 176.600 -0.051 0.000 1.062 151 E CA 0.551 56.953 56.400 0.003 0.000 0.867 151 E CB -0.483 29.209 29.700 -0.013 0.000 0.888 151 E HN 0.193 nan 8.360 nan 0.000 0.510 152 D N 0.810 121.149 120.400 -0.100 0.000 2.229 152 D HA 0.542 5.183 4.640 0.002 0.000 0.249 152 D C -0.110 175.901 176.300 -0.481 0.000 1.027 152 D CA -0.124 53.710 54.000 -0.276 0.000 0.923 152 D CB 1.621 42.237 40.800 -0.305 0.000 1.174 152 D HN 0.172 nan 8.370 nan 0.000 0.443 153 G N -1.276 107.015 108.800 -0.848 0.000 2.533 153 G HA2 0.698 4.659 3.960 0.002 0.000 0.304 153 G HA3 0.698 4.659 3.960 0.002 0.000 0.304 153 G C -0.706 173.464 174.900 -1.217 0.000 1.263 153 G CA -0.842 43.367 45.100 -1.485 0.000 0.964 153 G HN 0.504 nan 8.290 nan 0.000 0.479 154 G N -1.039 107.372 108.800 -0.648 0.000 2.718 154 G HA2 0.629 4.590 3.960 0.002 0.000 0.295 154 G HA3 0.629 4.590 3.960 0.002 0.000 0.295 154 G C -1.812 173.250 174.900 0.271 0.000 1.421 154 G CA -0.562 44.496 45.100 -0.070 0.000 0.902 154 G HN 0.938 nan 8.290 nan 0.000 0.501 155 I N 0.453 121.225 120.570 0.336 0.000 2.644 155 I HA 0.634 4.805 4.170 0.002 0.000 0.291 155 I C -1.080 175.193 176.117 0.260 0.000 1.180 155 I CA -0.914 60.587 61.300 0.336 0.000 1.040 155 I CB 2.135 40.385 38.000 0.418 0.000 1.255 155 I HN 0.744 nan 8.210 nan 0.000 0.422 156 K N 5.375 125.902 120.400 0.212 0.000 2.509 156 K HA 0.444 4.765 4.320 0.002 0.000 0.266 156 K C -2.182 174.605 176.600 0.312 0.000 0.987 156 K CA -0.811 55.559 56.287 0.139 0.000 0.868 156 K CB 2.336 34.812 32.500 -0.040 0.000 1.421 156 K HN 0.455 nan 8.250 nan 0.000 0.444 157 Y N 1.023 121.446 120.300 0.205 0.000 2.393 157 Y HA 0.413 4.964 4.550 0.001 0.000 0.341 157 Y C -1.339 174.617 175.900 0.093 0.000 0.988 157 Y CA -0.958 57.257 58.100 0.190 0.000 1.078 157 Y CB 1.967 40.596 38.460 0.280 0.000 1.203 157 Y HN 0.708 nan 8.280 nan 0.000 0.453 158 N N 8.680 127.020 118.700 -0.600 0.000 2.479 158 N HA 0.305 5.046 4.740 0.002 0.000 0.261 158 N C -2.846 172.143 175.510 -0.868 0.000 0.979 158 N CA -1.576 51.142 53.050 -0.553 0.000 0.930 158 N CB 2.020 40.356 38.487 -0.251 0.000 1.172 158 N HN 0.388 nan 8.380 nan 0.000 0.499 159 P HA 0.126 nan 4.420 nan 0.000 0.275 159 P C -1.876 175.279 177.300 -0.242 0.000 1.270 159 P CA -0.845 61.996 63.100 -0.432 0.000 0.791 159 P CB 0.204 31.788 31.700 -0.194 0.000 1.089 160 P HA -0.166 nan 4.420 nan 0.000 0.221 160 P C 0.783 177.973 177.300 -0.183 0.000 1.145 160 P CA 1.433 64.475 63.100 -0.096 0.000 0.795 160 P CB -0.574 31.099 31.700 -0.045 0.000 0.775 161 N N -0.998 117.488 118.700 -0.356 0.000 2.571 161 N HA -0.010 4.731 4.740 0.002 0.000 0.189 161 N C 1.344 176.697 175.510 -0.261 0.000 1.154 161 N CA 1.162 53.824 53.050 -0.647 0.000 0.907 161 N CB -1.244 36.696 38.487 -0.912 0.000 0.977 161 N HN 0.188 nan 8.380 nan 0.000 0.449 162 G N -2.093 106.610 108.800 -0.160 0.000 2.234 162 G HA2 -0.199 3.762 3.960 0.002 0.000 0.260 162 G HA3 -0.199 3.762 3.960 0.002 0.000 0.260 162 G C 0.349 175.201 174.900 -0.081 0.000 0.987 162 G CA 0.285 45.329 45.100 -0.092 0.000 0.625 162 G HN 0.851 nan 8.290 nan 0.000 0.532 163 G N 0.134 108.887 108.800 -0.079 0.000 2.552 163 G HA2 0.748 4.709 3.960 0.002 0.000 0.318 163 G HA3 0.748 4.709 3.960 0.002 0.000 0.318 163 G C -2.409 172.451 174.900 -0.066 0.000 1.240 163 G CA -0.856 44.233 45.100 -0.017 0.000 1.002 163 G HN 0.205 nan 8.290 nan 0.000 0.493 164 P HA 0.225 nan 4.420 nan 0.000 0.265 164 P C 0.107 177.369 177.300 -0.064 0.000 1.193 164 P CA 0.041 63.112 63.100 -0.048 0.000 0.765 164 P CB 0.682 32.373 31.700 -0.016 0.000 0.823 165 A N 3.177 125.971 122.820 -0.045 0.000 2.540 165 A HA 0.045 4.366 4.320 0.002 0.000 0.239 165 A C 0.603 178.180 177.584 -0.012 0.000 1.061 165 A CA 0.224 52.274 52.037 0.022 0.000 0.758 165 A CB -0.376 18.762 19.000 0.230 0.000 0.991 165 A HN 0.524 nan 8.150 nan 0.000 0.502 166 D N 0.460 120.840 120.400 -0.033 0.000 2.411 166 D HA 0.219 4.860 4.640 0.002 0.000 0.251 166 D C 1.826 178.103 176.300 -0.040 0.000 1.201 166 D CA 0.702 54.646 54.000 -0.093 0.000 0.996 166 D CB 1.104 41.828 40.800 -0.127 0.000 1.101 166 D HN 0.607 nan 8.370 nan 0.000 0.504 167 T N -1.263 113.246 114.554 -0.075 0.000 2.929 167 T HA -0.195 4.156 4.350 0.002 0.000 0.271 167 T C 1.363 176.071 174.700 0.013 0.000 1.085 167 T CA 1.572 63.658 62.100 -0.023 0.000 1.125 167 T CB -0.593 68.252 68.868 -0.039 0.000 0.874 167 T HN 0.622 nan 8.240 nan 0.000 0.494 168 N N 0.802 119.504 118.700 0.003 0.000 2.309 168 N HA -0.060 4.681 4.740 0.002 0.000 0.182 168 N C 1.612 177.142 175.510 0.034 0.000 1.018 168 N CA 0.775 53.835 53.050 0.016 0.000 0.876 168 N CB -0.333 38.158 38.487 0.007 0.000 0.972 168 N HN 0.290 nan 8.380 nan 0.000 0.434 169 V N 0.766 120.714 119.914 0.057 0.000 2.500 169 V HA -0.131 3.990 4.120 0.002 0.000 0.243 169 V C 2.795 178.963 176.094 0.122 0.000 1.039 169 V CA 1.889 64.242 62.300 0.087 0.000 1.053 169 V CB -0.572 31.340 31.823 0.149 0.000 0.695 169 V HN 0.651 nan 8.190 nan 0.000 0.463 170 T N -0.754 113.910 114.554 0.184 0.000 2.821 170 T HA -0.169 4.182 4.350 0.002 0.000 0.267 170 T C 2.033 176.871 174.700 0.230 0.000 1.046 170 T CA 1.991 64.289 62.100 0.331 0.000 1.139 170 T CB -0.481 68.558 68.868 0.284 0.000 0.871 170 T HN 0.477 nan 8.240 nan 0.000 0.454 171 K N 1.088 121.561 120.400 0.121 0.000 2.097 171 K HA 0.165 4.486 4.320 0.002 0.000 0.205 171 K C 2.548 179.170 176.600 0.038 0.000 1.050 171 K CA 1.434 57.768 56.287 0.079 0.000 0.938 171 K CB -1.373 31.159 32.500 0.052 0.000 0.718 171 K HN 0.409 nan 8.250 nan 0.000 0.442 172 V N 0.815 120.739 119.914 0.017 0.000 2.307 172 V HA -0.218 3.903 4.120 0.002 0.000 0.245 172 V C 2.494 178.543 176.094 -0.075 0.000 1.045 172 V CA 1.699 63.983 62.300 -0.026 0.000 1.024 172 V CB -0.067 31.738 31.823 -0.030 0.000 0.651 172 V HN 0.399 nan 8.190 nan 0.000 0.449 173 V N 0.008 119.855 119.914 -0.112 0.000 2.343 173 V HA -0.314 3.807 4.120 0.002 0.000 0.247 173 V C 2.421 178.365 176.094 -0.250 0.000 1.051 173 V CA 2.403 64.536 62.300 -0.278 0.000 1.036 173 V CB -0.606 30.890 31.823 -0.545 0.000 0.654 173 V HN 0.686 nan 8.190 nan 0.000 0.451 174 E N 0.201 120.344 120.200 -0.095 0.000 2.023 174 E HA -0.292 4.059 4.350 0.002 0.000 0.196 174 E C 1.936 178.515 176.600 -0.035 0.000 1.003 174 E CA 1.880 58.277 56.400 -0.006 0.000 0.809 174 E CB -0.146 29.625 29.700 0.117 0.000 0.755 174 E HN 0.599 nan 8.360 nan 0.000 0.449 175 D N -0.181 120.203 120.400 -0.026 0.000 2.104 175 D HA -0.189 4.452 4.640 0.002 0.000 0.194 175 D C 2.111 178.377 176.300 -0.057 0.000 0.994 175 D CA 1.116 55.098 54.000 -0.030 0.000 0.830 175 D CB -0.326 40.462 40.800 -0.021 0.000 0.959 175 D HN 0.048 nan 8.370 nan 0.000 0.452 176 R N 1.109 121.559 120.500 -0.084 0.000 2.081 176 R HA -0.005 4.336 4.340 0.002 0.000 0.235 176 R C 1.983 178.213 176.300 -0.116 0.000 1.131 176 R CA 1.716 57.756 56.100 -0.101 0.000 0.960 176 R CB -0.819 29.408 30.300 -0.121 0.000 0.856 176 R HN 0.094 nan 8.270 nan 0.000 0.436 177 A N 0.191 122.924 122.820 -0.145 0.000 1.902 177 A HA -0.186 4.135 4.320 0.002 0.000 0.217 177 A C 1.930 179.445 177.584 -0.115 0.000 1.181 177 A CA 1.953 53.898 52.037 -0.154 0.000 0.623 177 A CB -0.766 18.116 19.000 -0.198 0.000 0.818 177 A HN 0.608 nan 8.150 nan 0.000 0.443 178 N N -0.076 118.576 118.700 -0.081 0.000 2.188 178 N HA 0.005 4.745 4.740 0.002 0.000 0.184 178 N C 1.940 177.415 175.510 -0.059 0.000 1.018 178 N CA 1.038 54.054 53.050 -0.057 0.000 0.858 178 N CB -0.263 38.210 38.487 -0.023 0.000 0.989 178 N HN 0.485 nan 8.380 nan 0.000 0.426 179 A N 1.191 123.976 122.820 -0.059 0.000 1.883 179 A HA -0.142 4.179 4.320 0.002 0.000 0.217 179 A C 2.117 179.662 177.584 -0.066 0.000 1.186 179 A CA 1.203 53.206 52.037 -0.056 0.000 0.624 179 A CB -0.867 18.101 19.000 -0.054 0.000 0.822 179 A HN 0.198 nan 8.150 nan 0.000 0.444 180 L N -0.843 120.331 121.223 -0.082 0.000 2.083 180 L HA -0.175 4.166 4.340 0.002 0.000 0.209 180 L C 2.590 179.403 176.870 -0.094 0.000 1.083 180 L CA 0.984 55.770 54.840 -0.089 0.000 0.752 180 L CB -0.450 41.546 42.059 -0.105 0.000 0.899 180 L HN 0.382 nan 8.230 nan 0.000 0.433 181 L N -0.567 120.592 121.223 -0.105 0.000 2.046 181 L HA -0.196 4.145 4.340 0.002 0.000 0.208 181 L C 2.776 179.593 176.870 -0.088 0.000 1.077 181 L CA 1.182 55.951 54.840 -0.118 0.000 0.747 181 L CB -0.569 41.408 42.059 -0.136 0.000 0.896 181 L HN 0.254 nan 8.230 nan 0.000 0.432 182 A N -0.294 122.485 122.820 -0.068 0.000 2.067 182 A HA -0.075 4.246 4.320 0.002 0.000 0.219 182 A C 2.037 179.591 177.584 -0.050 0.000 1.158 182 A CA 1.444 53.449 52.037 -0.052 0.000 0.661 182 A CB -0.782 18.192 19.000 -0.042 0.000 0.801 182 A HN 0.454 nan 8.150 nan 0.000 0.452 183 G N -1.537 107.230 108.800 -0.055 0.000 3.314 183 G HA2 0.388 4.349 3.960 0.002 0.000 0.238 183 G HA3 0.388 4.349 3.960 0.002 0.000 0.238 183 G C 1.015 175.884 174.900 -0.053 0.000 1.184 183 G CA 0.457 45.528 45.100 -0.050 0.000 0.806 183 G HN 1.458 nan 8.290 nan 0.000 0.536 184 G N 0.694 109.458 108.800 -0.059 0.000 2.305 184 G HA2 -0.285 3.676 3.960 0.002 0.000 0.287 184 G HA3 -0.285 3.676 3.960 0.002 0.000 0.287 184 G C 0.931 175.792 174.900 -0.065 0.000 1.036 184 G CA 0.293 45.356 45.100 -0.061 0.000 0.887 184 G HN 1.198 nan 8.290 nan 0.000 0.505 185 L N -3.148 118.030 121.223 -0.077 0.000 4.813 185 L HA -0.230 4.111 4.340 0.002 0.000 0.434 185 L C 1.355 178.187 176.870 -0.063 0.000 1.106 185 L CA 1.509 56.302 54.840 -0.078 0.000 0.991 185 L CB -1.726 40.282 42.059 -0.085 0.000 2.005 185 L HN 0.669 nan 8.230 nan 0.000 0.817 186 Q N 0.253 120.021 119.800 -0.054 0.000 2.337 186 Q HA 0.320 4.661 4.340 0.002 0.000 0.270 186 Q C 1.436 177.406 176.000 -0.050 0.000 1.002 186 Q CA 0.852 56.628 55.803 -0.046 0.000 0.888 186 Q CB 0.832 29.547 28.738 -0.039 0.000 1.222 186 Q HN 0.377 nan 8.270 nan 0.000 0.400 187 G N 1.317 110.089 108.800 -0.048 0.000 2.199 187 G HA2 -0.259 3.702 3.960 0.002 0.000 0.254 187 G HA3 -0.259 3.702 3.960 0.002 0.000 0.254 187 G C 0.120 174.983 174.900 -0.062 0.000 0.982 187 G CA -0.030 45.038 45.100 -0.052 0.000 0.632 187 G HN 0.488 nan 8.290 nan 0.000 0.529 188 V N 1.869 121.744 119.914 -0.065 0.000 2.455 188 V HA 0.344 4.465 4.120 0.002 0.000 0.273 188 V C 0.735 176.794 176.094 -0.058 0.000 1.045 188 V CA 0.010 62.268 62.300 -0.070 0.000 0.976 188 V CB 1.272 33.049 31.823 -0.077 0.000 0.993 188 V HN 0.320 nan 8.190 nan 0.000 0.475 189 K N 6.593 126.958 120.400 -0.059 0.000 2.201 189 K HA 0.610 4.931 4.320 0.002 0.000 0.278 189 K C -0.113 176.458 176.600 -0.047 0.000 1.027 189 K CA -0.615 55.643 56.287 -0.049 0.000 0.909 189 K CB 0.960 33.430 32.500 -0.050 0.000 1.062 189 K HN 0.685 nan 8.250 nan 0.000 0.465 190 R N 3.565 124.044 120.500 -0.035 0.000 2.626 190 R HA 0.459 4.800 4.340 0.002 0.000 0.274 190 R C -0.925 175.366 176.300 -0.016 0.000 1.031 190 R CA -0.699 55.385 56.100 -0.027 0.000 0.898 190 R CB 0.547 30.833 30.300 -0.023 0.000 1.222 190 R HN 0.727 nan 8.270 nan 0.000 0.455 191 I N -1.283 119.281 120.570 -0.011 0.000 3.023 191 I HA 0.584 4.755 4.170 0.002 0.000 0.312 191 I C 0.382 176.500 176.117 0.001 0.000 1.056 191 I CA -1.074 60.224 61.300 -0.003 0.000 1.033 191 I CB 2.172 40.174 38.000 0.004 0.000 1.233 191 I HN 0.790 nan 8.210 nan 0.000 0.462 192 S N 1.930 117.632 115.700 0.003 0.000 2.589 192 S HA 0.097 4.568 4.470 0.002 0.000 0.265 192 S C 0.859 175.461 174.600 0.003 0.000 1.342 192 S CA -0.560 57.644 58.200 0.006 0.000 1.005 192 S CB 1.261 64.463 63.200 0.003 0.000 0.909 192 S HN 0.756 nan 8.310 nan 0.000 0.555 193 L N 0.855 122.082 121.223 0.006 0.000 2.042 193 L HA -0.091 4.250 4.340 0.002 0.000 0.210 193 L C 1.773 178.643 176.870 -0.000 0.000 1.076 193 L CA 2.098 56.938 54.840 0.000 0.000 0.749 193 L CB -1.208 40.858 42.059 0.011 0.000 0.893 193 L HN 0.765 nan 8.230 nan 0.000 0.432 194 D N -0.163 120.239 120.400 0.002 0.000 2.117 194 D HA -0.150 4.491 4.640 0.002 0.000 0.197 194 D C 2.221 178.520 176.300 -0.001 0.000 0.987 194 D CA 1.578 55.578 54.000 0.000 0.000 0.829 194 D CB -0.282 40.518 40.800 -0.001 0.000 0.961 194 D HN 0.501 nan 8.370 nan 0.000 0.460 195 A N 1.022 123.842 122.820 -0.000 0.000 1.908 195 A HA -0.083 4.238 4.320 0.002 0.000 0.218 195 A C 2.312 179.899 177.584 0.006 0.000 1.181 195 A CA 2.305 54.343 52.037 0.001 0.000 0.627 195 A CB -0.721 18.281 19.000 0.003 0.000 0.818 195 A HN 0.241 nan 8.150 nan 0.000 0.445 196 A N -1.039 121.786 122.820 0.008 0.000 1.933 196 A HA -0.103 4.218 4.320 0.002 0.000 0.218 196 A C 2.114 179.706 177.584 0.013 0.000 1.175 196 A CA 1.957 54.005 52.037 0.018 0.000 0.628 196 A CB -0.431 18.565 19.000 -0.007 0.000 0.814 196 A HN 0.425 nan 8.150 nan 0.000 0.444 197 M N -0.543 119.057 119.600 0.001 0.000 2.254 197 M HA 0.033 4.514 4.480 0.002 0.000 0.265 197 M C 2.296 178.590 176.300 -0.010 0.000 1.066 197 M CA 1.299 56.599 55.300 -0.001 0.000 1.123 197 M CB -1.448 31.153 32.600 0.002 0.000 1.388 197 M HN 0.463 nan 8.290 nan 0.000 0.425 198 A N 0.053 122.865 122.820 -0.013 0.000 2.119 198 A HA -0.016 4.305 4.320 0.002 0.000 0.216 198 A C 2.298 179.855 177.584 -0.045 0.000 1.152 198 A CA 1.389 53.412 52.037 -0.024 0.000 0.708 198 A CB -0.666 18.323 19.000 -0.018 0.000 0.805 198 A HN 0.571 nan 8.150 nan 0.000 0.460 199 S N -1.403 114.268 115.700 -0.048 0.000 2.453 199 S HA 0.254 4.725 4.470 0.002 0.000 0.231 199 S C 1.637 176.100 174.600 -0.229 0.000 1.005 199 S CA 1.335 59.469 58.200 -0.109 0.000 0.949 199 S CB -0.513 62.670 63.200 -0.027 0.000 0.774 199 S HN 1.852 nan 8.310 nan 0.000 0.510 200 G N 0.625 109.334 108.800 -0.152 0.000 2.179 200 G HA2 -0.268 3.693 3.960 0.002 0.000 0.260 200 G HA3 -0.268 3.693 3.960 0.002 0.000 0.260 200 G C 0.604 175.407 174.900 -0.162 0.000 0.977 200 G CA 0.504 45.510 45.100 -0.157 0.000 0.641 200 G HN 0.600 nan 8.290 nan 0.000 0.533 201 H N -0.596 118.454 119.070 -0.033 0.000 2.512 201 H HA 0.224 4.781 4.556 0.001 0.000 0.279 201 H C 1.226 176.523 175.328 -0.051 0.000 0.999 201 H CA 1.267 57.289 56.048 -0.043 0.000 1.283 201 H CB 0.340 30.073 29.762 -0.048 0.000 1.421 201 H HN 0.321 nan 8.280 nan 0.000 0.554 202 V N 1.949 121.901 119.914 0.063 0.000 2.333 202 V HA 0.455 4.576 4.120 0.002 0.000 0.274 202 V C 0.452 176.553 176.094 0.011 0.000 1.028 202 V CA -0.658 61.655 62.300 0.022 0.000 0.851 202 V CB 0.835 32.663 31.823 0.009 0.000 1.000 202 V HN 0.296 nan 8.190 nan 0.000 0.456 203 K N 2.894 123.295 120.400 0.002 0.000 2.274 203 K HA 0.897 5.218 4.320 0.002 0.000 0.262 203 K C -0.159 176.451 176.600 0.017 0.000 0.961 203 K CA -0.137 56.151 56.287 0.003 0.000 0.833 203 K CB 1.829 34.323 32.500 -0.010 0.000 1.102 203 K HN 1.131 nan 8.250 nan 0.000 0.436 204 A N 1.560 124.395 122.820 0.026 0.000 2.274 204 A HA 0.744 5.065 4.320 0.002 0.000 0.309 204 A C 0.247 177.850 177.584 0.031 0.000 1.226 204 A CA -0.039 52.020 52.037 0.037 0.000 0.853 204 A CB 0.148 19.167 19.000 0.032 0.000 1.146 204 A HN 1.853 nan 8.150 nan 0.000 0.518 205 V N -0.275 119.665 119.914 0.044 0.000 3.141 205 V HA 0.713 4.834 4.120 0.002 0.000 0.312 205 V C -0.805 175.310 176.094 0.034 0.000 1.157 205 V CA -0.983 61.344 62.300 0.046 0.000 1.041 205 V CB 1.945 33.814 31.823 0.077 0.000 1.071 205 V HN 0.718 nan 8.190 nan 0.000 0.441 206 D N 0.729 121.142 120.400 0.021 0.000 2.347 206 D HA 0.422 5.063 4.640 0.002 0.000 0.235 206 D C 0.715 177.022 176.300 0.012 0.000 1.149 206 D CA -0.057 53.939 54.000 -0.006 0.000 0.850 206 D CB 0.987 41.768 40.800 -0.032 0.000 1.061 206 D HN 0.603 nan 8.370 nan 0.000 0.487 207 L N 3.212 124.446 121.223 0.019 0.000 2.446 207 L HA -0.000 4.341 4.340 0.002 0.000 0.219 207 L C 2.063 178.934 176.870 0.002 0.000 1.116 207 L CA 0.001 54.872 54.840 0.052 0.000 0.844 207 L CB 0.039 42.156 42.059 0.097 0.000 0.970 207 L HN 0.351 nan 8.230 nan 0.000 0.457 208 V N -0.340 119.466 119.914 -0.180 0.000 2.261 208 V HA -0.304 3.817 4.120 0.002 0.000 0.246 208 V C 2.478 178.446 176.094 -0.210 0.000 1.047 208 V CA 1.801 63.794 62.300 -0.512 0.000 1.015 208 V CB -0.481 30.933 31.823 -0.682 0.000 0.642 208 V HN 0.375 nan 8.190 nan 0.000 0.446 209 Q N 0.385 120.105 119.800 -0.133 0.000 2.061 209 Q HA -0.131 4.210 4.340 0.002 0.000 0.204 209 Q C 0.015 176.000 176.000 -0.025 0.000 0.984 209 Q CA 2.428 58.177 55.803 -0.091 0.000 0.846 209 Q CB -1.456 27.233 28.738 -0.082 0.000 0.902 209 Q HN 0.526 nan 8.270 nan 0.000 0.421 210 P HA -0.158 nan 4.420 nan 0.000 0.217 210 P C 1.050 178.432 177.300 0.137 0.000 1.150 210 P CA 1.049 64.186 63.100 0.062 0.000 0.832 210 P CB -0.259 31.475 31.700 0.057 0.000 0.787 211 F N 1.004 120.983 119.950 0.049 0.000 2.075 211 F HA -0.180 4.348 4.527 0.002 0.000 0.297 211 F C 2.225 178.209 175.800 0.307 0.000 1.113 211 F CA 1.438 59.546 58.000 0.180 0.000 1.218 211 F CB -0.792 38.355 39.000 0.245 0.000 0.984 211 F HN -0.338 nan 8.300 nan 0.000 0.472 212 V N 0.489 120.641 119.914 0.398 0.000 2.343 212 V HA -0.298 3.822 4.120 0.002 0.000 0.247 212 V C 2.200 178.406 176.094 0.187 0.000 1.051 212 V CA 2.340 64.814 62.300 0.290 0.000 1.036 212 V CB -0.708 31.194 31.823 0.132 0.000 0.654 212 V HN 0.369 nan 8.190 nan 0.000 0.451 213 E N 0.225 120.423 120.200 -0.005 0.000 2.106 213 E HA -0.137 4.214 4.350 0.002 0.000 0.192 213 E C 2.277 178.989 176.600 0.186 0.000 0.984 213 E CA 1.101 57.485 56.400 -0.028 0.000 0.806 213 E CB -0.425 29.203 29.700 -0.121 0.000 0.750 213 E HN 0.654 nan 8.360 nan 0.000 0.458 214 G N 1.001 109.925 108.800 0.207 0.000 2.509 214 G HA2 -0.192 3.769 3.960 0.002 0.000 0.218 214 G HA3 -0.192 3.769 3.960 0.002 0.000 0.218 214 G C 1.490 176.436 174.900 0.077 0.000 1.124 214 G CA 0.120 45.395 45.100 0.292 0.000 0.776 214 G HN 0.109 nan 8.290 nan 0.000 0.547 215 L N 0.537 121.722 121.223 -0.064 0.000 2.265 215 L HA -0.074 4.267 4.340 0.002 0.000 0.215 215 L C 3.219 179.935 176.870 -0.256 0.000 1.117 215 L CA 0.753 55.337 54.840 -0.426 0.000 0.782 215 L CB -0.194 41.696 42.059 -0.281 0.000 0.914 215 L HN 0.299 nan 8.230 nan 0.000 0.441 216 A N -0.707 122.128 122.820 0.025 0.000 2.070 216 A HA -0.243 4.078 4.320 0.002 0.000 0.220 216 A C 1.849 179.545 177.584 0.186 0.000 1.159 216 A CA 1.801 53.903 52.037 0.109 0.000 0.656 216 A CB -0.405 18.747 19.000 0.253 0.000 0.800 216 A HN 0.361 nan 8.150 nan 0.000 0.453 217 D N -1.610 118.863 120.400 0.122 0.000 2.349 217 D HA 0.114 4.755 4.640 0.002 0.000 0.224 217 D C 1.203 177.605 176.300 0.170 0.000 1.029 217 D CA 0.637 54.775 54.000 0.230 0.000 0.879 217 D CB 0.066 40.980 40.800 0.189 0.000 0.906 217 D HN 0.498 nan 8.370 nan 0.000 0.528 218 I N -1.486 118.968 120.570 -0.193 0.000 4.578 218 I HA 0.179 4.350 4.170 0.002 0.000 0.312 218 I C -0.657 175.064 176.117 -0.659 0.000 1.224 218 I CA 0.104 61.059 61.300 -0.576 0.000 1.318 218 I CB 1.009 38.503 38.000 -0.844 0.000 1.388 218 I HN -0.324 nan 8.210 nan 0.000 0.461 219 V N 1.537 121.268 119.914 -0.305 0.000 2.769 219 V HA 0.322 4.443 4.120 0.002 0.000 0.312 219 V C -0.765 175.445 176.094 0.194 0.000 1.061 219 V CA -0.690 61.552 62.300 -0.097 0.000 0.931 219 V CB 1.660 33.408 31.823 -0.125 0.000 1.010 219 V HN 0.063 nan 8.190 nan 0.000 0.433 220 D N 3.711 124.285 120.400 0.290 0.000 2.551 220 D HA 0.121 4.762 4.640 0.002 0.000 0.223 220 D C 1.084 177.415 176.300 0.053 0.000 1.144 220 D CA -0.177 53.961 54.000 0.230 0.000 1.025 220 D CB 0.626 41.553 40.800 0.213 0.000 1.085 220 D HN 0.302 nan 8.370 nan 0.000 0.506 221 M N 1.387 120.968 119.600 -0.032 0.000 2.159 221 M HA -0.094 4.387 4.480 0.002 0.000 0.263 221 M C 2.068 178.367 176.300 -0.002 0.000 1.063 221 M CA 0.678 55.895 55.300 -0.139 0.000 1.110 221 M CB -1.244 31.043 32.600 -0.522 0.000 1.374 221 M HN 0.381 nan 8.290 nan 0.000 0.411 222 A N 0.462 123.305 122.820 0.038 0.000 1.883 222 A HA -0.042 4.279 4.320 0.002 0.000 0.217 222 A C 2.470 180.079 177.584 0.041 0.000 1.186 222 A CA 2.306 54.375 52.037 0.054 0.000 0.624 222 A CB -0.969 18.053 19.000 0.037 0.000 0.822 222 A HN 0.474 nan 8.150 nan 0.000 0.444 223 A N -0.132 122.708 122.820 0.034 0.000 1.902 223 A HA -0.085 4.236 4.320 0.002 0.000 0.217 223 A C 2.118 179.725 177.584 0.038 0.000 1.181 223 A CA 1.533 53.592 52.037 0.036 0.000 0.623 223 A CB -0.635 18.392 19.000 0.044 0.000 0.818 223 A HN 0.516 nan 8.150 nan 0.000 0.443 224 I N -0.298 120.293 120.570 0.036 0.000 2.127 224 I HA -0.362 3.809 4.170 0.002 0.000 0.241 224 I C 2.821 178.973 176.117 0.059 0.000 1.075 224 I CA 1.816 63.142 61.300 0.044 0.000 1.334 224 I CB -0.604 37.421 38.000 0.042 0.000 1.040 224 I HN 0.447 nan 8.210 nan 0.000 0.405 225 Q N 0.977 120.818 119.800 0.068 0.000 2.077 225 Q HA -0.268 4.073 4.340 0.002 0.000 0.206 225 Q C 2.587 178.621 176.000 0.057 0.000 0.989 225 Q CA 2.363 58.213 55.803 0.078 0.000 0.853 225 Q CB -0.542 28.251 28.738 0.092 0.000 0.907 225 Q HN 0.609 nan 8.270 nan 0.000 0.418 226 K N 0.796 121.224 120.400 0.048 0.000 2.211 226 K HA 0.096 4.417 4.320 0.002 0.000 0.203 226 K C 2.004 178.625 176.600 0.036 0.000 1.050 226 K CA 1.262 57.572 56.287 0.038 0.000 0.945 226 K CB -0.818 31.701 32.500 0.032 0.000 0.732 226 K HN 0.367 nan 8.250 nan 0.000 0.451 227 A N -0.174 122.670 122.820 0.039 0.000 2.014 227 A HA 0.389 4.710 4.320 0.002 0.000 0.218 227 A C 2.166 179.772 177.584 0.036 0.000 1.163 227 A CA 1.220 53.279 52.037 0.036 0.000 0.652 227 A CB -0.755 18.267 19.000 0.037 0.000 0.808 227 A HN 1.636 nan 8.150 nan 0.000 0.449 228 G N -0.574 108.251 108.800 0.042 0.000 2.314 228 G HA2 -0.218 3.743 3.960 0.002 0.000 0.292 228 G HA3 -0.218 3.743 3.960 0.002 0.000 0.292 228 G C -0.019 174.905 174.900 0.041 0.000 1.059 228 G CA 0.399 45.524 45.100 0.042 0.000 0.982 228 G HN 0.491 nan 8.290 nan 0.000 0.505 229 L N 0.032 121.283 121.223 0.046 0.000 2.439 229 L HA 0.349 4.690 4.340 0.002 0.000 0.269 229 L C 1.031 177.932 176.870 0.051 0.000 1.179 229 L CA -0.170 54.696 54.840 0.044 0.000 0.828 229 L CB 0.720 42.805 42.059 0.043 0.000 1.106 229 L HN 0.174 nan 8.230 nan 0.000 0.467 230 T N 4.314 118.904 114.554 0.060 0.000 2.739 230 T HA 0.468 4.819 4.350 0.002 0.000 0.298 230 T C -0.023 174.748 174.700 0.118 0.000 0.929 230 T CA -0.329 61.835 62.100 0.107 0.000 1.014 230 T CB -0.042 68.893 68.868 0.111 0.000 0.914 230 T HN 0.248 nan 8.240 nan 0.000 0.509 231 L N 2.620 123.851 121.223 0.013 0.000 2.325 231 L HA 0.796 5.137 4.340 0.002 0.000 0.278 231 L C 0.773 177.264 176.870 -0.630 0.000 1.023 231 L CA -0.945 53.733 54.840 -0.271 0.000 0.811 231 L CB 1.724 43.656 42.059 -0.211 0.000 1.249 231 L HN 0.679 nan 8.230 nan 0.000 0.431 232 G N 1.083 109.081 108.800 -1.336 0.000 2.482 232 G HA2 0.604 4.565 3.960 0.002 0.000 0.317 232 G HA3 0.604 4.565 3.960 0.002 0.000 0.317 232 G C -1.822 172.373 174.900 -1.176 0.000 1.241 232 G CA -0.487 43.556 45.100 -1.762 0.000 0.967 232 G HN 0.367 nan 8.290 nan 0.000 0.482 233 V N 1.235 120.675 119.914 -0.790 0.000 2.760 233 V HA 0.596 4.717 4.120 0.002 0.000 0.309 233 V C -1.608 174.267 176.094 -0.364 0.000 1.077 233 V CA -0.910 61.018 62.300 -0.620 0.000 0.910 233 V CB 2.153 33.475 31.823 -0.834 0.000 1.008 233 V HN 0.699 nan 8.190 nan 0.000 0.424 234 D N 7.248 127.504 120.400 -0.240 0.000 2.412 234 D HA 0.499 5.140 4.640 0.002 0.000 0.224 234 D C -1.979 174.312 176.300 -0.015 0.000 1.093 234 D CA -2.069 51.870 54.000 -0.102 0.000 0.850 234 D CB 2.346 43.117 40.800 -0.048 0.000 1.046 234 D HN 0.344 nan 8.370 nan 0.000 0.507 235 P HA 0.043 nan 4.420 nan 0.000 0.230 235 P C 0.555 178.013 177.300 0.263 0.000 1.158 235 P CA 0.148 63.410 63.100 0.269 0.000 0.769 235 P CB 0.060 31.925 31.700 0.275 0.000 0.807 236 L N -2.401 118.925 121.223 0.172 0.000 3.737 236 L HA -0.258 4.083 4.340 0.002 0.000 0.418 236 L C 1.063 178.220 176.870 0.478 0.000 1.216 236 L CA 0.384 55.420 54.840 0.327 0.000 0.915 236 L CB -2.552 39.664 42.059 0.261 0.000 1.834 236 L HN 0.371 nan 8.230 nan 0.000 0.943 237 G N -0.957 107.973 108.800 0.216 0.000 2.258 237 G HA2 -0.221 3.740 3.960 0.002 0.000 0.274 237 G HA3 -0.221 3.740 3.960 0.002 0.000 0.274 237 G C 0.669 175.689 174.900 0.201 0.000 1.021 237 G CA 0.576 45.780 45.100 0.174 0.000 0.798 237 G HN 0.991 nan 8.290 nan 0.000 0.507 238 G N -1.033 107.942 108.800 0.292 0.000 2.537 238 G HA2 0.624 4.585 3.960 0.002 0.000 0.297 238 G HA3 0.624 4.585 3.960 0.002 0.000 0.297 238 G C 1.277 176.183 174.900 0.010 0.000 1.310 238 G CA 0.747 46.033 45.100 0.311 0.000 1.027 238 G HN 1.172 nan 8.290 nan 0.000 0.505 239 S N -1.802 113.835 115.700 -0.104 0.000 2.481 239 S HA 0.050 4.521 4.470 0.002 0.000 0.231 239 S C 1.789 176.094 174.600 -0.492 0.000 0.996 239 S CA 1.021 59.079 58.200 -0.237 0.000 0.942 239 S CB 0.096 63.225 63.200 -0.117 0.000 0.768 239 S HN 0.901 nan 8.310 nan 0.000 0.520 240 G N 0.529 108.552 108.800 -1.295 0.000 3.434 240 G HA2 0.349 4.310 3.960 0.002 0.000 0.258 240 G HA3 0.349 4.310 3.960 0.002 0.000 0.258 240 G C 0.819 175.505 174.900 -0.355 0.000 1.128 240 G CA -0.251 44.081 45.100 -1.280 0.000 0.792 240 G HN 0.486 nan 8.290 nan 0.000 0.539 241 I N -0.002 120.524 120.570 -0.074 0.000 2.194 241 I HA -0.160 4.011 4.170 0.002 0.000 0.246 241 I C 2.282 178.521 176.117 0.202 0.000 1.093 241 I CA 1.240 62.651 61.300 0.185 0.000 1.355 241 I CB 0.335 38.408 38.000 0.121 0.000 1.046 241 I HN 0.081 nan 8.210 nan 0.000 0.413 242 E N 0.019 120.313 120.200 0.156 0.000 2.208 242 E HA -0.199 4.152 4.350 0.002 0.000 0.193 242 E C 1.990 178.629 176.600 0.066 0.000 0.988 242 E CA 1.121 57.581 56.400 0.099 0.000 0.828 242 E CB -0.330 29.389 29.700 0.031 0.000 0.763 242 E HN 0.599 nan 8.360 nan 0.000 0.478 243 Y N -0.473 119.777 120.300 -0.083 0.000 2.145 243 Y HA -0.202 4.349 4.550 0.001 0.000 0.286 243 Y C 2.284 178.172 175.900 -0.020 0.000 1.145 243 Y CA 1.152 59.176 58.100 -0.128 0.000 1.148 243 Y CB -0.831 37.417 38.460 -0.352 0.000 0.981 243 Y HN 0.122 nan 8.280 nan 0.000 0.507 244 W N 0.676 122.139 121.300 0.273 0.000 2.338 244 W HA -0.212 4.448 4.660 0.001 0.000 0.304 244 W C 2.355 178.980 176.519 0.177 0.000 1.212 244 W CA 1.288 58.774 57.345 0.236 0.000 1.264 244 W CB -0.247 29.352 29.460 0.232 0.000 1.142 244 W HN -0.057 nan 8.180 nan 0.000 0.512 245 K N 0.038 120.655 120.400 0.360 0.000 2.032 245 K HA -0.167 4.154 4.320 0.002 0.000 0.209 245 K C 2.039 178.754 176.600 0.192 0.000 1.048 245 K CA 1.260 57.684 56.287 0.227 0.000 0.927 245 K CB -0.364 32.224 32.500 0.146 0.000 0.712 245 K HN 0.061 nan 8.250 nan 0.000 0.441 246 R N 0.780 121.369 120.500 0.148 0.000 2.092 246 R HA -0.033 4.308 4.340 0.002 0.000 0.231 246 R C 2.354 178.773 176.300 0.197 0.000 1.119 246 R CA 1.012 57.177 56.100 0.108 0.000 0.970 246 R CB -0.620 29.678 30.300 -0.003 0.000 0.864 246 R HN 0.269 nan 8.270 nan 0.000 0.440 247 I N 1.050 121.791 120.570 0.285 0.000 2.163 247 I HA -0.298 3.873 4.170 0.002 0.000 0.243 247 I C 2.650 179.033 176.117 0.443 0.000 1.085 247 I CA 1.580 63.144 61.300 0.440 0.000 1.347 247 I CB -0.489 37.776 38.000 0.442 0.000 1.044 247 I HN 0.109 nan 8.210 nan 0.000 0.408 248 A N 0.300 123.340 122.820 0.367 0.000 1.877 248 A HA -0.244 4.077 4.320 0.002 0.000 0.216 248 A C 2.206 179.914 177.584 0.207 0.000 1.186 248 A CA 1.919 54.124 52.037 0.282 0.000 0.620 248 A CB -0.625 18.513 19.000 0.231 0.000 0.822 248 A HN 0.454 nan 8.150 nan 0.000 0.443 249 E N -1.563 118.741 120.200 0.173 0.000 2.015 249 E HA -0.213 4.138 4.350 0.002 0.000 0.191 249 E C 2.048 178.696 176.600 0.080 0.000 0.991 249 E CA 1.453 57.920 56.400 0.112 0.000 0.802 249 E CB -0.316 29.441 29.700 0.095 0.000 0.759 249 E HN 0.843 nan 8.360 nan 0.000 0.447 250 H N -0.738 118.315 119.070 -0.029 0.000 2.353 250 H HA -0.143 4.414 4.556 0.001 0.000 0.300 250 H C 0.918 176.057 175.328 -0.316 0.000 1.090 250 H CA 1.619 57.537 56.048 -0.216 0.000 1.327 250 H CB 0.040 29.594 29.762 -0.346 0.000 1.383 250 H HN 0.172 nan 8.280 nan 0.000 0.508 251 Y N 0.805 121.148 120.300 0.072 0.000 2.468 251 Y HA 0.203 4.754 4.550 0.002 0.000 0.268 251 Y C 0.289 176.207 175.900 0.029 0.000 1.177 251 Y CA -0.200 57.912 58.100 0.020 0.000 1.265 251 Y CB 0.383 38.911 38.460 0.113 0.000 1.103 251 Y HN 0.012 nan 8.280 nan 0.000 0.522 252 K N 0.127 120.599 120.400 0.119 0.000 3.150 252 K HA -0.209 4.112 4.320 0.002 0.000 0.267 252 K C -0.719 175.952 176.600 0.119 0.000 1.028 252 K CA 0.485 56.826 56.287 0.090 0.000 0.753 252 K CB -2.418 30.110 32.500 0.046 0.000 1.288 252 K HN 0.426 nan 8.250 nan 0.000 0.473 253 L N 0.396 121.714 121.223 0.157 0.000 2.379 253 L HA 0.269 4.610 4.340 0.002 0.000 0.269 253 L C 1.115 178.053 176.870 0.113 0.000 1.084 253 L CA -0.880 54.047 54.840 0.146 0.000 0.802 253 L CB 0.687 42.862 42.059 0.193 0.000 1.175 253 L HN 0.022 nan 8.230 nan 0.000 0.448 254 N N 2.903 121.657 118.700 0.091 0.000 2.968 254 N HA 0.210 4.951 4.740 0.002 0.000 0.271 254 N C -1.367 174.180 175.510 0.062 0.000 1.174 254 N CA -0.184 52.911 53.050 0.075 0.000 1.096 254 N CB -0.133 38.394 38.487 0.067 0.000 1.403 254 N HN 0.338 nan 8.380 nan 0.000 0.522 255 L N 2.172 123.431 121.223 0.060 0.000 2.372 255 L HA 0.528 4.869 4.340 0.002 0.000 0.274 255 L C -0.685 176.176 176.870 -0.015 0.000 0.988 255 L CA -0.295 54.545 54.840 0.001 0.000 0.833 255 L CB 1.640 43.746 42.059 0.077 0.000 1.236 255 L HN 0.133 nan 8.230 nan 0.000 0.410 256 T N 5.900 120.399 114.554 -0.092 0.000 2.767 256 T HA 0.523 4.874 4.350 0.002 0.000 0.284 256 T C -0.324 174.291 174.700 -0.142 0.000 0.973 256 T CA -0.312 61.763 62.100 -0.042 0.000 0.996 256 T CB 0.887 69.817 68.868 0.104 0.000 0.927 256 T HN 0.300 nan 8.240 nan 0.000 0.456 257 L N 4.411 125.594 121.223 -0.065 0.000 2.315 257 L HA 0.179 4.520 4.340 0.002 0.000 0.283 257 L C 1.623 178.460 176.870 -0.054 0.000 1.089 257 L CA 0.096 54.888 54.840 -0.081 0.000 0.833 257 L CB 0.912 42.963 42.059 -0.014 0.000 1.170 257 L HN 0.651 nan 8.230 nan 0.000 0.442 258 V N 1.018 120.886 119.914 -0.077 0.000 3.141 258 V HA 0.103 4.224 4.120 0.002 0.000 0.265 258 V C 0.478 176.559 176.094 -0.021 0.000 1.126 258 V CA 1.098 63.392 62.300 -0.010 0.000 1.141 258 V CB -1.411 30.420 31.823 0.014 0.000 0.743 258 V HN 1.010 nan 8.190 nan 0.000 0.492 259 N N -0.808 117.854 118.700 -0.063 0.000 2.745 259 N HA 0.318 5.059 4.740 0.002 0.000 0.256 259 N C -0.684 174.749 175.510 -0.128 0.000 1.268 259 N CA -0.040 52.951 53.050 -0.099 0.000 0.887 259 N CB 1.283 39.683 38.487 -0.145 0.000 1.575 259 N HN 0.098 nan 8.380 nan 0.000 0.496 260 D N -0.179 120.146 120.400 -0.125 0.000 2.462 260 D HA 0.026 4.667 4.640 0.002 0.000 0.221 260 D C -0.595 175.607 176.300 -0.164 0.000 1.173 260 D CA -0.054 53.885 54.000 -0.102 0.000 0.831 260 D CB 0.097 40.873 40.800 -0.040 0.000 1.001 260 D HN 0.452 nan 8.370 nan 0.000 0.499 261 Q N 0.693 120.306 119.800 -0.310 0.000 2.311 261 Q HA 0.221 4.562 4.340 0.002 0.000 0.272 261 Q C -0.239 175.557 176.000 -0.340 0.000 1.012 261 Q CA 0.037 55.629 55.803 -0.353 0.000 0.891 261 Q CB 2.232 30.634 28.738 -0.561 0.000 1.201 261 Q HN 0.073 nan 8.270 nan 0.000 0.391 262 V N 3.408 123.215 119.914 -0.178 0.000 2.409 262 V HA 0.339 4.460 4.120 0.002 0.000 0.291 262 V C -0.416 175.593 176.094 -0.140 0.000 1.020 262 V CA -0.636 61.560 62.300 -0.173 0.000 0.848 262 V CB 1.868 33.614 31.823 -0.129 0.000 0.990 262 V HN 0.662 nan 8.190 nan 0.000 0.430 263 D N 3.116 123.384 120.400 -0.221 0.000 2.764 263 D HA 0.242 4.883 4.640 0.002 0.000 0.227 263 D C 0.389 176.385 176.300 -0.508 0.000 1.347 263 D CA -0.421 53.458 54.000 -0.201 0.000 0.953 263 D CB 2.314 43.121 40.800 0.012 0.000 1.476 263 D HN 0.505 nan 8.370 nan 0.000 0.585 264 Q N 0.826 120.429 119.800 -0.328 0.000 2.488 264 Q HA -0.024 4.317 4.340 0.002 0.000 0.211 264 Q C 1.616 177.553 176.000 -0.105 0.000 0.967 264 Q CA 1.280 56.916 55.803 -0.278 0.000 0.926 264 Q CB 0.270 28.959 28.738 -0.083 0.000 0.992 264 Q HN 0.614 nan 8.270 nan 0.000 0.506 265 T N -3.421 111.065 114.554 -0.113 0.000 3.081 265 T HA -0.010 4.341 4.350 0.002 0.000 0.255 265 T C 0.451 175.166 174.700 0.025 0.000 1.113 265 T CA -0.259 61.835 62.100 -0.009 0.000 1.082 265 T CB -0.243 68.605 68.868 -0.033 0.000 0.939 265 T HN 0.261 nan 8.240 nan 0.000 0.506 266 F N 1.812 121.600 119.950 -0.269 0.000 3.067 266 F HA -0.268 4.260 4.527 0.002 0.000 0.279 266 F C 1.600 176.931 175.800 -0.782 0.000 0.945 266 F CA 0.555 58.167 58.000 -0.647 0.000 0.948 266 F CB -1.893 36.792 39.000 -0.525 0.000 0.898 266 F HN 0.375 nan 8.300 nan 0.000 0.746 267 R N 0.761 121.044 120.500 -0.361 0.000 2.148 267 R HA -0.155 4.186 4.340 0.002 0.000 0.227 267 R C 1.942 178.122 176.300 -0.199 0.000 1.103 267 R CA 2.018 57.996 56.100 -0.203 0.000 0.983 267 R CB -0.870 29.390 30.300 -0.067 0.000 0.874 267 R HN 0.495 nan 8.270 nan 0.000 0.451 268 F N -0.227 119.718 119.950 -0.007 0.000 2.604 268 F HA 0.273 4.800 4.527 0.001 0.000 0.298 268 F C 0.681 176.484 175.800 0.004 0.000 1.131 268 F CA -0.608 57.386 58.000 -0.011 0.000 1.457 268 F CB -0.358 38.645 39.000 0.005 0.000 1.095 268 F HN -0.145 nan 8.300 nan 0.000 0.574 269 M N 1.544 120.918 119.600 -0.377 0.000 2.248 269 M HA 0.100 4.581 4.480 0.002 0.000 0.337 269 M C -0.317 175.938 176.300 -0.074 0.000 1.121 269 M CA 0.116 55.344 55.300 -0.119 0.000 1.155 269 M CB -0.039 32.435 32.600 -0.210 0.000 1.514 269 M HN 0.133 nan 8.290 nan 0.000 0.452 270 H N 1.246 120.317 119.070 0.003 0.000 2.525 270 H HA 0.415 4.972 4.556 0.002 0.000 0.339 270 H C -0.333 174.978 175.328 -0.028 0.000 1.109 270 H CA -0.336 55.709 56.048 -0.004 0.000 1.352 270 H CB 0.545 30.315 29.762 0.013 0.000 1.461 270 H HN 0.498 nan 8.280 nan 0.000 0.533 271 L N 2.101 123.362 121.223 0.063 0.000 2.456 271 L HA 0.030 4.371 4.340 0.002 0.000 0.272 271 L C 0.923 177.804 176.870 0.020 0.000 1.189 271 L CA -0.002 54.843 54.840 0.008 0.000 0.846 271 L CB 0.290 42.341 42.059 -0.014 0.000 1.111 271 L HN 0.657 nan 8.230 nan 0.000 0.475 272 D N 1.116 121.506 120.400 -0.016 0.000 2.414 272 D HA 0.015 4.656 4.640 0.002 0.000 0.251 272 D C 0.912 177.208 176.300 -0.007 0.000 1.252 272 D CA -0.348 53.644 54.000 -0.014 0.000 0.999 272 D CB 0.966 41.749 40.800 -0.028 0.000 1.093 272 D HN 0.437 nan 8.370 nan 0.000 0.515 273 K N 0.140 120.538 120.400 -0.002 0.000 2.211 273 K HA -0.142 4.179 4.320 0.002 0.000 0.204 273 K C 0.808 177.430 176.600 0.037 0.000 1.047 273 K CA 1.637 57.935 56.287 0.018 0.000 0.935 273 K CB -0.303 32.201 32.500 0.007 0.000 0.728 273 K HN 0.347 nan 8.250 nan 0.000 0.452 274 D N -0.803 119.593 120.400 -0.007 0.000 2.358 274 D HA 0.176 4.817 4.640 0.002 0.000 0.224 274 D C 1.005 177.164 176.300 -0.235 0.000 1.123 274 D CA 0.231 54.210 54.000 -0.034 0.000 0.833 274 D CB -0.042 40.734 40.800 -0.040 0.000 0.946 274 D HN 0.351 nan 8.370 nan 0.000 0.505 275 G N -0.461 108.200 108.800 -0.231 0.000 2.179 275 G HA2 -0.179 3.782 3.960 0.002 0.000 0.260 275 G HA3 -0.179 3.782 3.960 0.002 0.000 0.260 275 G C 0.503 175.250 174.900 -0.255 0.000 0.977 275 G CA 0.186 45.049 45.100 -0.396 0.000 0.641 275 G HN 0.843 nan 8.290 nan 0.000 0.533 276 A N -0.378 122.338 122.820 -0.173 0.000 2.286 276 A HA 0.781 5.102 4.320 0.002 0.000 0.286 276 A C 0.492 178.016 177.584 -0.100 0.000 1.097 276 A CA -0.484 51.477 52.037 -0.126 0.000 0.821 276 A CB 0.538 19.475 19.000 -0.104 0.000 1.076 276 A HN 0.733 nan 8.150 nan 0.000 0.490 277 I N 1.342 121.850 120.570 -0.102 0.000 2.421 277 I HA 0.249 4.420 4.170 0.002 0.000 0.291 277 I C 0.702 176.740 176.117 -0.132 0.000 1.089 277 I CA 0.489 61.720 61.300 -0.115 0.000 1.354 277 I CB 0.099 38.021 38.000 -0.129 0.000 1.413 277 I HN 0.596 nan 8.210 nan 0.000 0.513 278 R N 5.972 126.410 120.500 -0.104 0.000 2.538 278 R HA 0.437 4.778 4.340 0.002 0.000 0.292 278 R C -0.777 175.482 176.300 -0.068 0.000 1.008 278 R CA -0.905 55.149 56.100 -0.077 0.000 0.896 278 R CB 1.303 31.598 30.300 -0.009 0.000 1.187 278 R HN 0.427 nan 8.270 nan 0.000 0.440 279 M N 3.005 122.555 119.600 -0.083 0.000 3.709 279 M HA 0.143 4.624 4.480 0.002 0.000 0.202 279 M C -0.583 175.701 176.300 -0.027 0.000 1.360 279 M CA -0.025 55.246 55.300 -0.048 0.000 1.600 279 M CB -0.236 32.311 32.600 -0.088 0.000 1.061 279 M HN 0.252 nan 8.290 nan 0.000 0.575 280 D N -0.298 120.049 120.400 -0.089 0.000 2.411 280 D HA 0.114 4.755 4.640 0.002 0.000 0.225 280 D C 0.957 177.150 176.300 -0.179 0.000 1.156 280 D CA -0.334 53.511 54.000 -0.259 0.000 0.874 280 D CB 0.791 41.424 40.800 -0.279 0.000 1.034 280 D HN 0.626 nan 8.370 nan 0.000 0.502 281 C N 1.887 121.080 119.300 -0.179 0.000 2.466 281 C HA 0.006 4.467 4.460 0.002 0.000 0.283 281 C C 1.913 176.823 174.990 -0.134 0.000 1.472 281 C CA 0.391 59.334 59.018 -0.125 0.000 1.765 281 C CB -1.606 26.066 27.740 -0.114 0.000 1.724 281 C HN 0.537 nan 8.230 nan 0.000 0.560 282 S N -0.167 115.429 115.700 -0.173 0.000 2.540 282 S HA 0.158 4.629 4.470 0.002 0.000 0.218 282 S C 0.509 175.039 174.600 -0.117 0.000 0.977 282 S CA 0.381 58.493 58.200 -0.148 0.000 0.918 282 S CB -0.374 62.727 63.200 -0.165 0.000 0.806 282 S HN 0.591 nan 8.310 nan 0.000 0.496 283 S N 0.796 116.429 115.700 -0.111 0.000 2.438 283 S HA 0.531 5.002 4.470 0.002 0.000 0.293 283 S C 1.187 175.748 174.600 -0.065 0.000 1.141 283 S CA 0.319 58.472 58.200 -0.080 0.000 1.080 283 S CB 1.099 64.257 63.200 -0.072 0.000 0.978 283 S HN 0.565 nan 8.310 nan 0.000 0.479 284 E N 3.000 123.165 120.200 -0.058 0.000 2.160 284 E HA -0.144 4.207 4.350 0.002 0.000 0.195 284 E C 2.073 178.642 176.600 -0.052 0.000 0.991 284 E CA 1.978 58.345 56.400 -0.055 0.000 0.810 284 E CB -1.302 28.369 29.700 -0.048 0.000 0.742 284 E HN 0.932 nan 8.360 nan 0.000 0.466 285 C N 0.087 119.366 119.300 -0.035 0.000 2.462 285 C HA 0.257 4.718 4.460 0.002 0.000 0.278 285 C C 3.269 178.255 174.990 -0.006 0.000 1.253 285 C CA 1.064 60.073 59.018 -0.016 0.000 1.713 285 C CB -0.702 27.040 27.740 0.003 0.000 2.049 285 C HN 0.786 nan 8.230 nan 0.000 0.477 286 A N 0.098 122.913 122.820 -0.008 0.000 1.933 286 A HA -0.119 4.202 4.320 0.002 0.000 0.218 286 A C 1.986 179.570 177.584 0.001 0.000 1.175 286 A CA 1.582 53.626 52.037 0.012 0.000 0.628 286 A CB -0.424 18.568 19.000 -0.013 0.000 0.814 286 A HN 0.541 nan 8.150 nan 0.000 0.444 287 M N -0.193 119.381 119.600 -0.044 0.000 2.633 287 M HA 0.133 4.613 4.480 0.002 0.000 0.226 287 M C 2.035 178.260 176.300 -0.126 0.000 1.137 287 M CA 0.663 55.926 55.300 -0.062 0.000 1.020 287 M CB -1.240 31.321 32.600 -0.064 0.000 1.675 287 M HN 0.506 nan 8.290 nan 0.000 0.500 288 A N 0.609 123.300 122.820 -0.216 0.000 1.978 288 A HA -0.037 4.284 4.320 0.002 0.000 0.220 288 A C 2.353 179.676 177.584 -0.436 0.000 1.170 288 A CA 1.975 53.802 52.037 -0.350 0.000 0.636 288 A CB -1.108 17.621 19.000 -0.451 0.000 0.810 288 A HN 0.502 nan 8.150 nan 0.000 0.448 289 G N -0.210 108.289 108.800 -0.502 0.000 2.433 289 G HA2 -0.147 3.814 3.960 0.002 0.000 0.216 289 G HA3 -0.147 3.814 3.960 0.002 0.000 0.216 289 G C 1.470 176.333 174.900 -0.062 0.000 1.186 289 G CA 1.165 46.149 45.100 -0.193 0.000 0.779 289 G HN 0.483 nan 8.290 nan 0.000 0.543 290 L N 0.463 121.658 121.223 -0.047 0.000 2.083 290 L HA 0.138 4.478 4.340 0.002 0.000 0.209 290 L C 2.668 179.525 176.870 -0.021 0.000 1.083 290 L CA 1.247 56.072 54.840 -0.024 0.000 0.752 290 L CB -0.392 41.633 42.059 -0.056 0.000 0.899 290 L HN 0.205 nan 8.230 nan 0.000 0.433 291 L N -0.847 120.342 121.223 -0.058 0.000 2.141 291 L HA -0.131 4.210 4.340 0.002 0.000 0.209 291 L C 2.542 179.388 176.870 -0.040 0.000 1.094 291 L CA 0.941 55.751 54.840 -0.050 0.000 0.763 291 L CB -0.752 41.266 42.059 -0.068 0.000 0.908 291 L HN 0.352 nan 8.230 nan 0.000 0.437 292 A N -0.202 122.587 122.820 -0.051 0.000 2.070 292 A HA -0.078 4.243 4.320 0.002 0.000 0.220 292 A C 1.919 179.490 177.584 -0.022 0.000 1.159 292 A CA 1.154 53.170 52.037 -0.036 0.000 0.656 292 A CB -0.402 18.578 19.000 -0.033 0.000 0.800 292 A HN 0.459 nan 8.150 nan 0.000 0.453 293 L N -0.659 120.564 121.223 0.000 0.000 2.728 293 L HA 0.114 4.455 4.340 0.002 0.000 0.238 293 L C 2.168 179.044 176.870 0.010 0.000 1.143 293 L CA 0.186 55.027 54.840 0.001 0.000 0.937 293 L CB -0.125 41.986 42.059 0.087 0.000 1.225 293 L HN 0.497 nan 8.230 nan 0.000 0.507 294 R N 0.070 120.584 120.500 0.022 0.000 2.152 294 R HA -0.155 4.186 4.340 0.002 0.000 0.232 294 R C 1.407 177.702 176.300 -0.008 0.000 1.117 294 R CA 1.605 57.731 56.100 0.043 0.000 0.981 294 R CB -1.077 29.229 30.300 0.009 0.000 0.870 294 R HN 0.350 nan 8.270 nan 0.000 0.451 295 D N 0.917 121.279 120.400 -0.064 0.000 2.348 295 D HA -0.022 4.619 4.640 0.002 0.000 0.216 295 D C 2.055 178.250 176.300 -0.176 0.000 0.970 295 D CA 1.409 55.354 54.000 -0.092 0.000 0.889 295 D CB -0.243 40.509 40.800 -0.080 0.000 0.912 295 D HN 0.625 nan 8.370 nan 0.000 0.524 296 K N -0.710 119.492 120.400 -0.330 0.000 2.444 296 K HA 0.500 4.821 4.320 0.002 0.000 0.193 296 K C 0.040 176.144 176.600 -0.826 0.000 1.024 296 K CA 0.086 56.006 56.287 -0.612 0.000 1.077 296 K CB -0.262 31.749 32.500 -0.816 0.000 0.833 296 K HN 0.468 nan 8.250 nan 0.000 0.517 297 F N -0.468 119.428 119.950 -0.090 0.000 2.588 297 F HA 0.336 4.864 4.527 0.001 0.000 0.314 297 F C 0.449 176.190 175.800 -0.098 0.000 1.069 297 F CA -1.669 56.264 58.000 -0.111 0.000 0.931 297 F CB 2.156 41.054 39.000 -0.170 0.000 1.260 297 F HN -0.102 nan 8.300 nan 0.000 0.465 298 D N 0.641 121.107 120.400 0.110 0.000 2.144 298 D HA -0.010 4.631 4.640 0.002 0.000 0.200 298 D C 0.066 176.376 176.300 0.016 0.000 0.978 298 D CA 1.740 55.765 54.000 0.042 0.000 0.833 298 D CB 0.318 41.136 40.800 0.031 0.000 0.961 298 D HN 0.184 nan 8.370 nan 0.000 0.470 299 L N -1.138 120.068 121.223 -0.028 0.000 2.506 299 L HA 0.577 4.918 4.340 0.002 0.000 0.257 299 L C -1.831 174.785 176.870 -0.422 0.000 0.964 299 L CA -0.621 54.132 54.840 -0.145 0.000 0.836 299 L CB 2.145 44.148 42.059 -0.094 0.000 1.384 299 L HN -0.074 nan 8.230 nan 0.000 0.410 300 A N 2.394 124.902 122.820 -0.520 0.000 2.556 300 A HA 0.963 5.284 4.320 0.002 0.000 0.294 300 A C -1.746 175.397 177.584 -0.734 0.000 1.091 300 A CA -0.396 51.120 52.037 -0.869 0.000 0.704 300 A CB 1.420 20.092 19.000 -0.547 0.000 1.300 300 A HN 0.679 nan 8.150 nan 0.000 0.406 301 F N -1.968 117.789 119.950 -0.321 0.000 2.711 301 F HA 0.935 5.463 4.527 0.001 0.000 0.313 301 F C -0.109 175.542 175.800 -0.249 0.000 1.141 301 F CA -0.909 56.944 58.000 -0.246 0.000 0.941 301 F CB 1.272 40.159 39.000 -0.189 0.000 1.349 301 F HN 1.127 nan 8.300 nan 0.000 0.464 302 A N 0.835 123.713 122.820 0.098 0.000 2.594 302 A HA 0.863 5.184 4.320 0.002 0.000 0.291 302 A C -1.863 175.707 177.584 -0.025 0.000 1.105 302 A CA -0.945 51.096 52.037 0.007 0.000 0.694 302 A CB 1.855 20.839 19.000 -0.026 0.000 1.291 302 A HN 0.893 nan 8.150 nan 0.000 0.410 303 N N 0.216 118.822 118.700 -0.157 0.000 2.284 303 N HA 0.507 5.248 4.740 0.002 0.000 0.289 303 N C -1.499 173.844 175.510 -0.278 0.000 1.179 303 N CA -0.768 52.074 53.050 -0.347 0.000 0.774 303 N CB 1.606 39.505 38.487 -0.980 0.000 1.548 303 N HN 0.791 nan 8.380 nan 0.000 0.473 304 D N -0.033 120.259 120.400 -0.179 0.000 2.384 304 D HA 0.136 4.777 4.640 0.002 0.000 0.244 304 D C -1.936 174.411 176.300 0.078 0.000 1.251 304 D CA -1.473 52.508 54.000 -0.030 0.000 0.961 304 D CB 0.035 40.847 40.800 0.020 0.000 1.116 304 D HN 0.216 nan 8.370 nan 0.000 0.484 305 P HA -0.071 nan 4.420 nan 0.000 0.220 305 P C 0.514 178.001 177.300 0.311 0.000 1.148 305 P CA 1.245 64.517 63.100 0.286 0.000 0.803 305 P CB 0.023 31.874 31.700 0.252 0.000 0.782 306 D N -3.351 117.177 120.400 0.214 0.000 2.340 306 D HA -0.097 4.544 4.640 0.002 0.000 0.220 306 D C 0.084 176.502 176.300 0.197 0.000 1.039 306 D CA -0.357 53.732 54.000 0.148 0.000 0.866 306 D CB -0.956 39.880 40.800 0.060 0.000 0.913 306 D HN 0.100 nan 8.370 nan 0.000 0.523 307 Y N 0.828 121.109 120.300 -0.032 0.000 4.177 307 Y HA -0.240 4.311 4.550 0.001 0.000 0.227 307 Y C 0.846 176.713 175.900 -0.055 0.000 1.154 307 Y CA 0.498 58.567 58.100 -0.051 0.000 1.887 307 Y CB -2.162 36.199 38.460 -0.165 0.000 1.594 307 Y HN 0.302 nan 8.280 nan 0.000 0.668 308 D N -1.177 119.242 120.400 0.032 0.000 2.367 308 D HA 0.106 4.747 4.640 0.002 0.000 0.207 308 D C 0.759 177.059 176.300 -0.000 0.000 1.034 308 D CA 0.349 54.339 54.000 -0.017 0.000 0.861 308 D CB 0.226 40.981 40.800 -0.075 0.000 0.943 308 D HN 0.383 nan 8.370 nan 0.000 0.515 309 R N -0.021 120.478 120.500 -0.002 0.000 2.902 309 R HA 0.471 4.812 4.340 0.002 0.000 0.258 309 R C -0.183 176.125 176.300 0.012 0.000 1.071 309 R CA -0.792 55.299 56.100 -0.014 0.000 1.024 309 R CB 1.517 31.759 30.300 -0.095 0.000 1.184 309 R HN 0.279 nan 8.270 nan 0.000 0.492 310 H N -1.660 117.396 119.070 -0.023 0.000 2.895 310 H HA 0.596 5.153 4.556 0.001 0.000 0.373 310 H C -1.050 174.263 175.328 -0.025 0.000 1.174 310 H CA -1.161 54.875 56.048 -0.020 0.000 1.144 310 H CB 2.141 31.922 29.762 0.032 0.000 1.793 310 H HN 0.776 nan 8.280 nan 0.000 0.551 311 G N 2.151 110.971 108.800 0.033 0.000 2.643 311 G HA2 0.486 4.447 3.960 0.002 0.000 0.305 311 G HA3 0.486 4.447 3.960 0.002 0.000 0.305 311 G C -1.012 173.905 174.900 0.030 0.000 1.387 311 G CA -0.662 44.427 45.100 -0.019 0.000 0.982 311 G HN 0.465 nan 8.290 nan 0.000 0.501 312 I N 2.436 122.986 120.570 -0.034 0.000 2.354 312 I HA 0.375 4.546 4.170 0.002 0.000 0.292 312 I C -0.227 175.850 176.117 -0.065 0.000 0.989 312 I CA -0.999 60.259 61.300 -0.070 0.000 1.188 312 I CB 1.318 39.128 38.000 -0.318 0.000 1.342 312 I HN 0.044 nan 8.210 nan 0.000 0.457 313 V N 5.727 125.603 119.914 -0.063 0.000 2.495 313 V HA 0.586 4.707 4.120 0.002 0.000 0.298 313 V C 0.433 176.490 176.094 -0.062 0.000 1.031 313 V CA -0.420 61.839 62.300 -0.069 0.000 0.871 313 V CB 1.995 33.767 31.823 -0.085 0.000 0.988 313 V HN 0.948 nan 8.190 nan 0.000 0.432 314 T N 2.189 116.725 114.554 -0.029 0.000 2.910 314 T HA 0.524 4.875 4.350 0.002 0.000 0.287 314 T C -2.250 172.449 174.700 -0.002 0.000 1.050 314 T CA -2.182 59.912 62.100 -0.010 0.000 1.011 314 T CB 2.147 71.022 68.868 0.011 0.000 1.195 314 T HN 0.322 nan 8.240 nan 0.000 0.540 315 P HA 0.031 nan 4.420 nan 0.000 0.221 315 P C 1.341 178.640 177.300 -0.001 0.000 1.145 315 P CA 1.194 64.293 63.100 -0.002 0.000 0.795 315 P CB -0.290 31.407 31.700 -0.005 0.000 0.775 316 A N -1.367 121.457 122.820 0.007 0.000 2.119 316 A HA 0.400 4.721 4.320 0.002 0.000 0.217 316 A C 1.269 178.855 177.584 0.004 0.000 1.153 316 A CA 1.378 53.421 52.037 0.011 0.000 0.692 316 A CB -0.844 18.173 19.000 0.029 0.000 0.799 316 A HN 0.353 nan 8.150 nan 0.000 0.458 317 G N -1.954 106.843 108.800 -0.005 0.000 2.298 317 G HA2 0.235 4.196 3.960 0.002 0.000 0.309 317 G HA3 0.235 4.196 3.960 0.002 0.000 0.309 317 G C -0.921 173.962 174.900 -0.027 0.000 1.279 317 G CA -0.377 44.713 45.100 -0.018 0.000 1.042 317 G HN 0.935 nan 8.290 nan 0.000 0.480 318 L N 1.501 122.699 121.223 -0.041 0.000 2.361 318 L HA 0.656 4.997 4.340 0.002 0.000 0.278 318 L C 1.125 177.958 176.870 -0.063 0.000 1.113 318 L CA -0.170 54.637 54.840 -0.055 0.000 0.849 318 L CB 0.419 42.440 42.059 -0.064 0.000 1.155 318 L HN 0.596 nan 8.230 nan 0.000 0.452 319 M N 4.149 123.713 119.600 -0.059 0.000 2.239 319 M HA 0.022 4.503 4.480 0.002 0.000 0.348 319 M C 0.408 176.634 176.300 -0.124 0.000 1.239 319 M CA 0.239 55.502 55.300 -0.062 0.000 1.114 319 M CB 0.155 32.744 32.600 -0.018 0.000 1.641 319 M HN 0.695 nan 8.290 nan 0.000 0.453 320 N N 3.907 122.447 118.700 -0.266 0.000 2.492 320 N HA 0.052 4.793 4.740 0.002 0.000 0.262 320 N C -1.962 173.413 175.510 -0.225 0.000 1.202 320 N CA -0.983 51.836 53.050 -0.385 0.000 0.926 320 N CB 0.953 38.910 38.487 -0.884 0.000 1.078 320 N HN 0.261 nan 8.380 nan 0.000 0.454 321 P HA -0.161 nan 4.420 nan 0.000 0.215 321 P C 0.592 177.921 177.300 0.048 0.000 1.153 321 P CA 1.119 64.216 63.100 -0.004 0.000 0.853 321 P CB 0.184 31.856 31.700 -0.047 0.000 0.788 322 N N -1.211 117.451 118.700 -0.063 0.000 2.120 322 N HA -0.166 4.575 4.740 0.002 0.000 0.188 322 N C 1.762 177.350 175.510 0.131 0.000 1.024 322 N CA 1.239 54.291 53.050 0.004 0.000 0.852 322 N CB -0.811 37.602 38.487 -0.124 0.000 1.003 322 N HN 0.439 nan 8.380 nan 0.000 0.424 323 H N -1.552 117.414 119.070 -0.173 0.000 2.353 323 H HA -0.159 4.398 4.556 0.002 0.000 0.300 323 H C 1.688 177.033 175.328 0.028 0.000 1.090 323 H CA 1.118 56.944 56.048 -0.372 0.000 1.327 323 H CB -0.082 29.120 29.762 -0.933 0.000 1.383 323 H HN 0.232 nan 8.280 nan 0.000 0.508 324 Y N 1.809 122.172 120.300 0.105 0.000 2.242 324 Y HA -0.165 4.386 4.550 0.002 0.000 0.291 324 Y C 2.265 178.266 175.900 0.168 0.000 1.137 324 Y CA 0.816 59.004 58.100 0.146 0.000 1.181 324 Y CB -0.503 38.054 38.460 0.162 0.000 0.989 324 Y HN 0.056 nan 8.280 nan 0.000 0.527 325 L N -0.427 120.835 121.223 0.064 0.000 2.013 325 L HA -0.299 4.042 4.340 0.002 0.000 0.212 325 L C 2.759 179.557 176.870 -0.120 0.000 1.073 325 L CA 1.495 56.342 54.840 0.012 0.000 0.753 325 L CB -1.153 41.007 42.059 0.168 0.000 0.890 325 L HN 0.316 nan 8.230 nan 0.000 0.432 326 A N -0.493 122.339 122.820 0.020 0.000 1.902 326 A HA -0.141 4.179 4.320 0.002 0.000 0.217 326 A C 2.315 179.898 177.584 -0.002 0.000 1.181 326 A CA 1.778 53.837 52.037 0.037 0.000 0.623 326 A CB -0.779 18.342 19.000 0.202 0.000 0.818 326 A HN 0.217 nan 8.150 nan 0.000 0.443 327 V N -0.240 119.699 119.914 0.042 0.000 2.358 327 V HA -0.211 3.910 4.120 0.002 0.000 0.246 327 V C 3.040 179.040 176.094 -0.157 0.000 1.047 327 V CA 1.812 64.123 62.300 0.019 0.000 1.035 327 V CB -1.158 30.763 31.823 0.164 0.000 0.658 327 V HN 0.614 nan 8.190 nan 0.000 0.452 328 A N -0.021 122.570 122.820 -0.382 0.000 1.902 328 A HA -0.177 4.144 4.320 0.002 0.000 0.217 328 A C 2.172 179.525 177.584 -0.385 0.000 1.181 328 A CA 1.936 53.699 52.037 -0.457 0.000 0.623 328 A CB -0.518 18.105 19.000 -0.630 0.000 0.818 328 A HN 0.503 nan 8.150 nan 0.000 0.443 329 I N -0.217 120.065 120.570 -0.481 0.000 2.202 329 I HA -0.265 3.906 4.170 0.002 0.000 0.242 329 I C 2.507 178.612 176.117 -0.020 0.000 1.091 329 I CA 1.509 62.609 61.300 -0.335 0.000 1.368 329 I CB -0.458 37.273 38.000 -0.448 0.000 1.058 329 I HN 0.502 nan 8.210 nan 0.000 0.410 330 N N 0.239 118.911 118.700 -0.046 0.000 2.104 330 N HA -0.283 4.458 4.740 0.002 0.000 0.190 330 N C 2.158 177.702 175.510 0.056 0.000 1.024 330 N CA 1.655 54.722 53.050 0.029 0.000 0.853 330 N CB -0.040 38.479 38.487 0.052 0.000 1.008 330 N HN 0.345 nan 8.380 nan 0.000 0.424 331 Y N 1.474 121.705 120.300 -0.116 0.000 2.153 331 Y HA -0.048 4.503 4.550 0.002 0.000 0.289 331 Y C 2.334 178.187 175.900 -0.078 0.000 1.127 331 Y CA 1.181 59.207 58.100 -0.124 0.000 1.131 331 Y CB -0.493 37.772 38.460 -0.325 0.000 0.995 331 Y HN -0.008 nan 8.280 nan 0.000 0.505 332 L N -0.959 120.161 121.223 -0.172 0.000 2.012 332 L HA -0.257 4.084 4.340 0.002 0.000 0.210 332 L C 2.113 178.623 176.870 -0.600 0.000 1.073 332 L CA 1.607 56.154 54.840 -0.487 0.000 0.748 332 L CB -0.678 41.063 42.059 -0.530 0.000 0.891 332 L HN 0.200 nan 8.230 nan 0.000 0.431 333 F N -0.508 119.309 119.950 -0.222 0.000 2.699 333 F HA -0.108 4.420 4.527 0.002 0.000 0.298 333 F C 2.267 177.959 175.800 -0.181 0.000 1.154 333 F CA 0.752 58.679 58.000 -0.122 0.000 1.457 333 F CB -0.224 38.774 39.000 -0.003 0.000 1.106 333 F HN 0.167 nan 8.300 nan 0.000 0.585 334 Q N -1.752 117.958 119.800 -0.151 0.000 2.281 334 Q HA 0.075 4.416 4.340 0.002 0.000 0.215 334 Q C 0.117 175.749 176.000 -0.612 0.000 0.867 334 Q CA 0.387 56.012 55.803 -0.296 0.000 0.940 334 Q CB 0.298 28.885 28.738 -0.252 0.000 1.111 334 Q HN 0.495 nan 8.270 nan 0.000 0.513 335 H N -0.563 118.171 119.070 -0.561 0.000 2.665 335 H HA 0.275 4.832 4.556 0.002 0.000 0.248 335 H C -0.606 174.417 175.328 -0.508 0.000 1.175 335 H CA -0.199 55.510 56.048 -0.566 0.000 0.952 335 H CB 0.714 29.918 29.762 -0.930 0.000 1.883 335 H HN -0.189 nan 8.280 nan 0.000 0.623 336 R N 1.471 121.659 120.500 -0.520 0.000 2.585 336 R HA 0.188 4.529 4.340 0.002 0.000 0.278 336 R C -2.170 173.894 176.300 -0.394 0.000 1.663 336 R CA -1.561 54.131 56.100 -0.680 0.000 1.592 336 R CB 0.785 30.013 30.300 -1.787 0.000 1.200 336 R HN 0.243 nan 8.270 nan 0.000 0.611 337 P HA -0.096 nan 4.420 nan 0.000 0.220 337 P C 1.051 178.352 177.300 0.002 0.000 1.148 337 P CA 0.850 63.899 63.100 -0.086 0.000 0.803 337 P CB 0.459 32.115 31.700 -0.074 0.000 0.782 338 L N -2.950 118.298 121.223 0.042 0.000 2.492 338 L HA 0.046 4.387 4.340 0.002 0.000 0.223 338 L C 0.937 177.982 176.870 0.291 0.000 1.132 338 L CA -0.040 54.890 54.840 0.150 0.000 0.850 338 L CB -0.592 41.574 42.059 0.179 0.000 0.966 338 L HN -0.055 nan 8.230 nan 0.000 0.454 339 W N 1.642 122.955 121.300 0.021 0.000 2.253 339 W HA 0.318 4.978 4.660 0.001 0.000 0.322 339 W C 1.044 177.586 176.519 0.038 0.000 1.342 339 W CA -1.067 56.290 57.345 0.020 0.000 1.218 339 W CB -0.177 29.266 29.460 -0.028 0.000 1.205 339 W HN -0.106 nan 8.180 nan 0.000 0.551 340 G N 1.672 110.606 108.800 0.224 0.000 2.636 340 G HA2 0.345 4.306 3.960 0.002 0.000 0.246 340 G HA3 0.345 4.306 3.960 0.002 0.000 0.246 340 G C 0.988 175.982 174.900 0.156 0.000 1.216 340 G CA 0.152 45.337 45.100 0.142 0.000 0.854 340 G HN 0.605 nan 8.290 nan 0.000 0.572 341 K N -0.979 119.489 120.400 0.112 0.000 2.209 341 K HA 0.018 4.339 4.320 0.002 0.000 0.204 341 K C 2.205 178.866 176.600 0.101 0.000 1.048 341 K CA 2.153 58.503 56.287 0.105 0.000 0.940 341 K CB -1.367 31.174 32.500 0.067 0.000 0.729 341 K HN 0.827 nan 8.250 nan 0.000 0.451 342 D N 0.032 120.480 120.400 0.080 0.000 2.317 342 D HA 0.198 4.839 4.640 0.002 0.000 0.211 342 D C 0.913 177.262 176.300 0.082 0.000 0.966 342 D CA 0.703 54.739 54.000 0.060 0.000 0.876 342 D CB -0.361 40.456 40.800 0.029 0.000 0.927 342 D HN 0.279 nan 8.370 nan 0.000 0.519 343 V N 1.126 121.115 119.914 0.125 0.000 2.475 343 V HA 0.458 4.579 4.120 0.002 0.000 0.292 343 V C 0.929 177.187 176.094 0.273 0.000 1.003 343 V CA -0.112 62.285 62.300 0.161 0.000 1.120 343 V CB 0.014 31.920 31.823 0.138 0.000 0.937 343 V HN 0.639 nan 8.190 nan 0.000 0.476 344 A N 5.662 128.636 122.820 0.257 0.000 2.269 344 A HA 0.828 5.149 4.320 0.002 0.000 0.327 344 A C -0.459 177.283 177.584 0.262 0.000 1.112 344 A CA -0.603 51.579 52.037 0.243 0.000 0.865 344 A CB 1.340 20.516 19.000 0.294 0.000 1.227 344 A HN 0.620 nan 8.150 nan 0.000 0.498 345 V N 0.823 120.742 119.914 0.009 0.000 2.347 345 V HA 0.555 4.676 4.120 0.002 0.000 0.280 345 V C 0.802 176.795 176.094 -0.168 0.000 1.021 345 V CA -0.182 62.060 62.300 -0.097 0.000 0.847 345 V CB 1.007 32.621 31.823 -0.347 0.000 0.990 345 V HN 1.082 nan 8.190 nan 0.000 0.444 346 G N 3.867 112.396 108.800 -0.451 0.000 2.338 346 G HA2 0.568 4.529 3.960 0.002 0.000 0.298 346 G HA3 0.568 4.529 3.960 0.002 0.000 0.298 346 G C -0.606 174.107 174.900 -0.312 0.000 1.140 346 G CA -0.387 44.311 45.100 -0.670 0.000 0.860 346 G HN 0.621 nan 8.290 nan 0.000 0.470 347 K N 1.533 121.973 120.400 0.068 0.000 2.482 347 K HA 0.439 4.760 4.320 0.002 0.000 0.251 347 K C 0.094 176.816 176.600 0.203 0.000 0.936 347 K CA -0.585 55.788 56.287 0.143 0.000 0.791 347 K CB 1.756 34.268 32.500 0.020 0.000 1.213 347 K HN 0.610 nan 8.250 nan 0.000 0.428 348 T N 1.736 116.431 114.554 0.235 0.000 2.913 348 T HA 0.101 4.452 4.350 0.002 0.000 0.297 348 T C 1.635 176.295 174.700 -0.067 0.000 1.029 348 T CA -0.891 61.239 62.100 0.049 0.000 1.104 348 T CB 0.498 69.413 68.868 0.077 0.000 0.964 348 T HN 0.577 nan 8.240 nan 0.000 0.532 349 L N 1.863 122.983 121.223 -0.171 0.000 2.465 349 L HA 0.085 4.426 4.340 0.002 0.000 0.224 349 L C 1.798 178.442 176.870 -0.377 0.000 1.145 349 L CA 1.262 55.936 54.840 -0.278 0.000 0.834 349 L CB -1.953 39.928 42.059 -0.296 0.000 0.944 349 L HN 0.703 nan 8.230 nan 0.000 0.451 350 V N -3.094 116.679 119.914 -0.234 0.000 3.649 350 V HA 0.247 4.368 4.120 0.002 0.000 0.275 350 V C 1.260 177.534 176.094 0.300 0.000 1.281 350 V CA -0.246 62.001 62.300 -0.089 0.000 1.143 350 V CB -0.582 30.868 31.823 -0.621 0.000 0.892 350 V HN 0.309 nan 8.190 nan 0.000 0.441 351 S N 1.207 116.987 115.700 0.135 0.000 2.600 351 S HA 0.328 4.799 4.470 0.002 0.000 0.265 351 S C 0.443 175.224 174.600 0.303 0.000 1.325 351 S CA 0.253 58.570 58.200 0.195 0.000 1.002 351 S CB 1.194 64.468 63.200 0.123 0.000 0.921 351 S HN 0.669 nan 8.310 nan 0.000 0.554 352 S N 0.916 116.780 115.700 0.274 0.000 2.552 352 S HA 0.136 4.607 4.470 0.002 0.000 0.289 352 S C 1.163 175.975 174.600 0.354 0.000 1.304 352 S CA -0.238 58.206 58.200 0.407 0.000 1.063 352 S CB 0.258 63.605 63.200 0.246 0.000 0.848 352 S HN 0.797 nan 8.310 nan 0.000 0.499 353 A N 5.236 128.374 122.820 0.531 0.000 2.248 353 A HA -0.008 4.313 4.320 0.002 0.000 0.210 353 A C 1.808 179.615 177.584 0.371 0.000 1.174 353 A CA 1.132 53.397 52.037 0.380 0.000 0.750 353 A CB -0.574 18.723 19.000 0.496 0.000 0.780 353 A HN 0.917 nan 8.150 nan 0.000 0.478 354 M N 0.027 119.905 119.600 0.463 0.000 2.202 354 M HA -0.092 4.389 4.480 0.002 0.000 0.262 354 M C 1.604 177.961 176.300 0.095 0.000 1.063 354 M CA 1.580 57.093 55.300 0.355 0.000 1.097 354 M CB -0.635 32.178 32.600 0.355 0.000 1.382 354 M HN 0.433 nan 8.290 nan 0.000 0.413 355 I N 0.007 120.628 120.570 0.085 0.000 2.179 355 I HA -0.322 3.849 4.170 0.002 0.000 0.242 355 I C 1.651 177.711 176.117 -0.096 0.000 1.088 355 I CA 1.610 62.901 61.300 -0.016 0.000 1.357 355 I CB -0.807 37.192 38.000 -0.001 0.000 1.051 355 I HN 0.244 nan 8.210 nan 0.000 0.409 356 D N 0.455 120.805 120.400 -0.083 0.000 2.116 356 D HA -0.231 4.410 4.640 0.002 0.000 0.193 356 D C 2.236 178.405 176.300 -0.218 0.000 0.998 356 D CA 1.240 55.159 54.000 -0.136 0.000 0.836 356 D CB -0.220 40.511 40.800 -0.115 0.000 0.951 356 D HN 0.122 nan 8.370 nan 0.000 0.449 357 R N 0.136 120.456 120.500 -0.300 0.000 2.073 357 R HA -0.084 4.257 4.340 0.002 0.000 0.234 357 R C 2.116 178.051 176.300 -0.608 0.000 1.134 357 R CA 0.766 56.510 56.100 -0.594 0.000 0.952 357 R CB -0.488 29.256 30.300 -0.927 0.000 0.850 357 R HN 0.058 nan 8.270 nan 0.000 0.433 358 V N -0.559 119.109 119.914 -0.410 0.000 2.307 358 V HA -0.209 3.912 4.120 0.002 0.000 0.245 358 V C 2.144 178.133 176.094 -0.175 0.000 1.045 358 V CA 1.697 63.867 62.300 -0.217 0.000 1.024 358 V CB -0.189 31.575 31.823 -0.099 0.000 0.651 358 V HN 0.175 nan 8.190 nan 0.000 0.449 359 V N 0.546 120.338 119.914 -0.202 0.000 2.307 359 V HA -0.263 3.857 4.120 0.002 0.000 0.245 359 V C 2.323 178.317 176.094 -0.166 0.000 1.045 359 V CA 2.334 64.505 62.300 -0.215 0.000 1.024 359 V CB -0.930 30.754 31.823 -0.232 0.000 0.651 359 V HN 0.686 nan 8.190 nan 0.000 0.449 360 N N 0.297 118.901 118.700 -0.160 0.000 2.104 360 N HA -0.269 4.472 4.740 0.002 0.000 0.190 360 N C 1.743 177.199 175.510 -0.090 0.000 1.024 360 N CA 2.024 54.999 53.050 -0.124 0.000 0.853 360 N CB -0.092 38.312 38.487 -0.139 0.000 1.008 360 N HN 0.619 nan 8.380 nan 0.000 0.424 361 D N 0.348 120.693 120.400 -0.092 0.000 2.149 361 D HA -0.097 4.544 4.640 0.002 0.000 0.198 361 D C 2.014 178.313 176.300 -0.002 0.000 0.990 361 D CA 0.876 54.871 54.000 -0.007 0.000 0.839 361 D CB -0.052 40.798 40.800 0.083 0.000 0.948 361 D HN 0.302 nan 8.370 nan 0.000 0.460 362 L N -0.686 120.518 121.223 -0.032 0.000 2.551 362 L HA 0.192 4.532 4.340 0.002 0.000 0.228 362 L C 1.718 178.573 176.870 -0.026 0.000 1.153 362 L CA 0.457 55.282 54.840 -0.024 0.000 0.851 362 L CB -0.360 41.670 42.059 -0.049 0.000 0.959 362 L HN 0.284 nan 8.230 nan 0.000 0.451 363 G N 0.325 109.102 108.800 -0.039 0.000 2.203 363 G HA2 -0.272 3.689 3.960 0.002 0.000 0.263 363 G HA3 -0.272 3.689 3.960 0.002 0.000 0.263 363 G C 0.398 175.274 174.900 -0.039 0.000 1.012 363 G CA 0.033 45.113 45.100 -0.032 0.000 0.749 363 G HN 0.216 nan 8.290 nan 0.000 0.512 364 R N -0.186 120.266 120.500 -0.079 0.000 2.549 364 R HA 0.426 4.767 4.340 0.002 0.000 0.267 364 R C 0.574 176.814 176.300 -0.099 0.000 1.045 364 R CA -0.784 55.254 56.100 -0.103 0.000 1.115 364 R CB 0.717 30.866 30.300 -0.251 0.000 1.121 364 R HN 0.316 nan 8.270 nan 0.000 0.543 365 K N 2.049 122.410 120.400 -0.065 0.000 2.316 365 K HA 0.105 4.426 4.320 0.002 0.000 0.289 365 K C -0.608 175.963 176.600 -0.048 0.000 1.070 365 K CA -0.351 55.915 56.287 -0.034 0.000 0.928 365 K CB 0.405 32.916 32.500 0.018 0.000 1.039 365 K HN 0.229 nan 8.250 nan 0.000 0.480 366 L N 5.757 126.946 121.223 -0.057 0.000 2.275 366 L HA 0.280 4.621 4.340 0.002 0.000 0.288 366 L C -1.226 175.642 176.870 -0.004 0.000 1.046 366 L CA -0.287 54.517 54.840 -0.061 0.000 0.805 366 L CB 1.540 43.542 42.059 -0.094 0.000 1.193 366 L HN 0.361 nan 8.230 nan 0.000 0.426 367 V N 5.376 125.313 119.914 0.038 0.000 2.304 367 V HA 0.356 4.477 4.120 0.002 0.000 0.278 367 V C -0.057 176.054 176.094 0.028 0.000 1.018 367 V CA -0.682 61.676 62.300 0.096 0.000 0.814 367 V CB 0.864 32.896 31.823 0.348 0.000 1.021 367 V HN 0.727 nan 8.190 nan 0.000 0.440 368 E N 3.280 123.459 120.200 -0.035 0.000 2.259 368 E HA 0.512 4.863 4.350 0.002 0.000 0.281 368 E C -0.347 176.164 176.600 -0.148 0.000 1.027 368 E CA -0.228 56.118 56.400 -0.089 0.000 0.838 368 E CB 2.142 31.759 29.700 -0.138 0.000 1.066 368 E HN 0.624 nan 8.360 nan 0.000 0.401 369 V N 0.594 120.386 119.914 -0.203 0.000 3.126 369 V HA 0.630 4.751 4.120 0.002 0.000 0.314 369 V C -2.734 173.062 176.094 -0.497 0.000 1.138 369 V CA -2.880 59.164 62.300 -0.425 0.000 1.034 369 V CB 1.587 33.136 31.823 -0.455 0.000 1.075 369 V HN 0.432 nan 8.190 nan 0.000 0.442 370 P HA 0.214 nan 4.420 nan 0.000 0.274 370 P C -0.270 176.917 177.300 -0.188 0.000 1.260 370 P CA -0.250 62.566 63.100 -0.475 0.000 0.793 370 P CB 0.309 31.697 31.700 -0.520 0.000 1.048 371 V N 0.451 120.355 119.914 -0.017 0.000 2.720 371 V HA 0.343 4.464 4.120 0.002 0.000 0.307 371 V C 0.913 177.158 176.094 0.251 0.000 1.071 371 V CA 1.873 64.226 62.300 0.089 0.000 1.199 371 V CB -0.886 30.988 31.823 0.086 0.000 0.900 371 V HN 0.991 nan 8.190 nan 0.000 0.494 372 G N 3.871 112.791 108.800 0.200 0.000 2.535 372 G HA2 -0.073 3.888 3.960 0.002 0.000 0.662 372 G HA3 -0.073 3.888 3.960 0.002 0.000 0.662 372 G C -0.535 174.401 174.900 0.060 0.000 1.417 372 G CA -0.281 44.910 45.100 0.153 0.000 0.866 372 G HN 0.596 nan 8.290 nan 0.000 0.647 373 F N 1.903 121.829 119.950 -0.039 0.000 2.456 373 F HA 0.058 4.586 4.527 0.002 0.000 0.298 373 F C 2.780 178.508 175.800 -0.119 0.000 1.104 373 F CA 1.856 59.856 58.000 -0.001 0.000 1.435 373 F CB 0.190 39.260 39.000 0.117 0.000 1.078 373 F HN 0.668 nan 8.300 nan 0.000 0.546 374 K N -0.573 119.733 120.400 -0.157 0.000 2.160 374 K HA -0.252 4.069 4.320 0.002 0.000 0.206 374 K C 1.648 178.010 176.600 -0.397 0.000 1.047 374 K CA 2.131 58.237 56.287 -0.300 0.000 0.930 374 K CB -1.329 30.886 32.500 -0.474 0.000 0.720 374 K HN 0.410 nan 8.250 nan 0.000 0.450 375 W N 0.035 121.131 121.300 -0.340 0.000 2.525 375 W HA 0.022 4.683 4.660 0.002 0.000 0.259 375 W C 1.066 177.432 176.519 -0.255 0.000 1.253 375 W CA -0.204 56.930 57.345 -0.352 0.000 1.262 375 W CB -0.124 29.044 29.460 -0.486 0.000 1.122 375 W HN 0.001 nan 8.180 nan 0.000 0.607 376 F N -1.610 118.323 119.950 -0.029 0.000 2.746 376 F HA 0.056 4.584 4.527 0.001 0.000 0.297 376 F C 1.961 177.810 175.800 0.081 0.000 1.113 376 F CA -0.354 57.610 58.000 -0.060 0.000 1.367 376 F CB -1.176 37.416 39.000 -0.680 0.000 1.111 376 F HN -0.303 nan 8.300 nan 0.000 0.590 377 V N 0.342 120.354 119.914 0.163 0.000 2.261 377 V HA -0.287 3.834 4.120 0.002 0.000 0.246 377 V C 2.012 178.221 176.094 0.191 0.000 1.047 377 V CA 2.206 64.606 62.300 0.167 0.000 1.015 377 V CB -0.471 31.398 31.823 0.078 0.000 0.642 377 V HN 0.158 nan 8.190 nan 0.000 0.446 378 D N 0.645 121.133 120.400 0.147 0.000 2.117 378 D HA -0.113 4.528 4.640 0.002 0.000 0.197 378 D C 2.170 178.549 176.300 0.132 0.000 0.987 378 D CA 1.664 55.747 54.000 0.138 0.000 0.829 378 D CB -0.632 40.213 40.800 0.075 0.000 0.961 378 D HN 0.483 nan 8.370 nan 0.000 0.460 379 G N 0.265 109.113 108.800 0.079 0.000 2.403 379 G HA2 -0.128 3.833 3.960 0.002 0.000 0.216 379 G HA3 -0.128 3.833 3.960 0.002 0.000 0.216 379 G C 1.770 176.712 174.900 0.071 0.000 1.154 379 G CA 0.087 45.066 45.100 -0.202 0.000 0.784 379 G HN 0.230 nan 8.290 nan 0.000 0.538 380 L N -0.753 120.642 121.223 0.286 0.000 2.056 380 L HA 0.043 4.384 4.340 0.002 0.000 0.207 380 L C 2.517 179.480 176.870 0.155 0.000 1.078 380 L CA 0.875 55.841 54.840 0.211 0.000 0.749 380 L CB -0.398 41.801 42.059 0.233 0.000 0.901 380 L HN 0.221 nan 8.230 nan 0.000 0.433 381 F N 2.122 122.101 119.950 0.048 0.000 2.095 381 F HA -0.289 4.239 4.527 0.001 0.000 0.298 381 F C 2.161 177.958 175.800 -0.005 0.000 1.104 381 F CA 2.124 60.135 58.000 0.019 0.000 1.232 381 F CB -0.285 38.727 39.000 0.019 0.000 0.987 381 F HN 0.360 nan 8.300 nan 0.000 0.475 382 D N -1.202 119.167 120.400 -0.050 0.000 2.340 382 D HA 0.145 4.786 4.640 0.002 0.000 0.220 382 D C 1.702 177.911 176.300 -0.151 0.000 1.039 382 D CA 0.801 54.700 54.000 -0.168 0.000 0.866 382 D CB -0.435 40.333 40.800 -0.053 0.000 0.913 382 D HN 0.454 nan 8.370 nan 0.000 0.523 383 G N 0.116 108.843 108.800 -0.123 0.000 2.159 383 G HA2 -0.356 3.605 3.960 0.002 0.000 0.256 383 G HA3 -0.356 3.605 3.960 0.002 0.000 0.256 383 G C 1.164 175.988 174.900 -0.126 0.000 0.977 383 G CA 0.838 45.857 45.100 -0.135 0.000 0.652 383 G HN 0.681 nan 8.290 nan 0.000 0.531 384 S N -1.173 114.448 115.700 -0.132 0.000 2.470 384 S HA 0.423 4.894 4.470 0.002 0.000 0.225 384 S C 0.645 175.189 174.600 -0.092 0.000 1.006 384 S CA 0.243 58.352 58.200 -0.151 0.000 0.934 384 S CB 0.120 63.179 63.200 -0.234 0.000 0.778 384 S HN 0.332 nan 8.310 nan 0.000 0.517 385 F N 2.089 122.030 119.950 -0.015 0.000 2.404 385 F HA 0.678 5.206 4.527 0.002 0.000 0.354 385 F C 1.451 177.200 175.800 -0.086 0.000 1.122 385 F CA -1.632 56.367 58.000 -0.001 0.000 1.080 385 F CB 1.207 40.219 39.000 0.020 0.000 1.131 385 F HN 0.119 nan 8.300 nan 0.000 0.471 386 G N 2.749 111.655 108.800 0.177 0.000 2.551 386 G HA2 -0.014 3.946 3.960 0.002 0.000 0.216 386 G HA3 -0.014 3.946 3.960 0.002 0.000 0.216 386 G C -0.433 174.520 174.900 0.088 0.000 1.137 386 G CA 0.460 45.393 45.100 -0.278 0.000 0.798 386 G HN 0.435 nan 8.290 nan 0.000 0.536 387 F N -0.599 119.431 119.950 0.133 0.000 2.635 387 F HA 0.566 5.094 4.527 0.002 0.000 0.314 387 F C -0.668 174.963 175.800 -0.282 0.000 1.119 387 F CA -0.736 57.325 58.000 0.102 0.000 1.000 387 F CB 1.595 40.779 39.000 0.308 0.000 1.278 387 F HN 0.115 nan 8.300 nan 0.000 0.446 388 G N 2.309 110.582 108.800 -0.879 0.000 2.687 388 G HA2 0.618 4.578 3.960 0.002 0.000 0.301 388 G HA3 0.618 4.578 3.960 0.002 0.000 0.301 388 G C -1.412 172.791 174.900 -1.162 0.000 1.416 388 G CA -0.539 43.601 45.100 -1.600 0.000 1.005 388 G HN 1.038 nan 8.290 nan 0.000 0.509 389 G N 0.420 108.813 108.800 -0.678 0.000 2.619 389 G HA2 0.748 4.709 3.960 0.002 0.000 0.296 389 G HA3 0.748 4.709 3.960 0.002 0.000 0.296 389 G C -1.070 174.022 174.900 0.320 0.000 1.334 389 G CA -0.783 44.329 45.100 0.020 0.000 0.934 389 G HN 0.641 nan 8.290 nan 0.000 0.476 390 E N 0.088 120.507 120.200 0.366 0.000 2.312 390 E HA 0.267 4.618 4.350 0.002 0.000 0.267 390 E C 0.222 176.953 176.600 0.218 0.000 0.894 390 E CA -0.907 55.682 56.400 0.316 0.000 0.773 390 E CB 2.464 32.365 29.700 0.336 0.000 1.241 390 E HN 0.506 nan 8.360 nan 0.000 0.432 391 E N 1.353 121.659 120.200 0.178 0.000 2.401 391 E HA -0.140 4.211 4.350 0.002 0.000 0.199 391 E C 0.766 177.425 176.600 0.098 0.000 1.023 391 E CA 1.170 57.640 56.400 0.117 0.000 0.859 391 E CB -0.203 29.567 29.700 0.117 0.000 0.780 391 E HN 0.420 nan 8.360 nan 0.000 0.523 392 S N -0.120 115.653 115.700 0.123 0.000 2.743 392 S HA 0.524 4.995 4.470 0.002 0.000 0.230 392 S C 0.915 175.512 174.600 -0.005 0.000 0.950 392 S CA 0.197 58.443 58.200 0.075 0.000 0.976 392 S CB -0.233 63.037 63.200 0.117 0.000 0.779 392 S HN 0.712 nan 8.310 nan 0.000 0.487 393 A N -1.016 121.787 122.820 -0.028 0.000 3.115 393 A HA 0.106 4.427 4.320 0.002 0.000 0.255 393 A C 0.596 178.036 177.584 -0.240 0.000 1.380 393 A CA 0.330 52.230 52.037 -0.228 0.000 0.806 393 A CB -1.879 16.916 19.000 -0.342 0.000 1.044 393 A HN 1.525 nan 8.150 nan 0.000 0.589 394 G N -1.493 107.334 108.800 0.046 0.000 2.566 394 G HA2 1.004 4.965 3.960 0.002 0.000 0.311 394 G HA3 1.004 4.965 3.960 0.002 0.000 0.311 394 G C -0.448 174.587 174.900 0.225 0.000 1.322 394 G CA 0.381 45.545 45.100 0.108 0.000 0.969 394 G HN 2.098 nan 8.290 nan 0.000 0.490 395 A N 0.859 123.791 122.820 0.187 0.000 2.599 395 A HA 0.933 5.254 4.320 0.002 0.000 0.290 395 A C -0.695 176.883 177.584 -0.010 0.000 1.101 395 A CA -0.356 51.731 52.037 0.083 0.000 0.674 395 A CB 1.672 20.646 19.000 -0.042 0.000 1.277 395 A HN 1.669 nan 8.150 nan 0.000 0.419 396 S N -1.120 114.526 115.700 -0.091 0.000 2.596 396 S HA 0.919 5.390 4.470 0.002 0.000 0.270 396 S C -1.514 173.039 174.600 -0.079 0.000 1.155 396 S CA -0.278 57.889 58.200 -0.054 0.000 0.827 396 S CB 1.095 64.371 63.200 0.126 0.000 1.130 396 S HN 1.792 nan 8.310 nan 0.000 0.467 397 F N 0.295 120.231 119.950 -0.023 0.000 2.685 397 F HA 0.718 5.246 4.527 0.002 0.000 0.315 397 F C -1.454 174.391 175.800 0.076 0.000 1.126 397 F CA -1.412 56.621 58.000 0.054 0.000 0.950 397 F CB 0.421 39.594 39.000 0.287 0.000 1.360 397 F HN 0.458 nan 8.300 nan 0.000 0.469 398 L N 1.991 123.349 121.223 0.224 0.000 2.453 398 L HA 0.480 4.820 4.340 0.002 0.000 0.261 398 L C 0.722 177.752 176.870 0.266 0.000 1.179 398 L CA -0.815 54.080 54.840 0.091 0.000 0.813 398 L CB 0.470 42.365 42.059 -0.274 0.000 1.110 398 L HN 0.654 nan 8.230 nan 0.000 0.466 399 R N 0.178 120.779 120.500 0.168 0.000 2.905 399 R HA -0.021 4.320 4.340 0.002 0.000 0.273 399 R C 0.928 177.413 176.300 0.309 0.000 1.033 399 R CA -0.042 56.146 56.100 0.146 0.000 1.182 399 R CB 0.129 30.544 30.300 0.191 0.000 1.097 399 R HN 0.377 nan 8.270 nan 0.000 0.504 400 F N 1.172 121.274 119.950 0.252 0.000 2.120 400 F HA -0.235 4.293 4.527 0.001 0.000 0.300 400 F C 2.120 178.095 175.800 0.292 0.000 1.095 400 F CA 2.004 60.127 58.000 0.204 0.000 1.249 400 F CB -0.357 38.680 39.000 0.061 0.000 0.995 400 F HN 0.636 nan 8.300 nan 0.000 0.480 401 D N -0.887 119.758 120.400 0.408 0.000 2.363 401 D HA 0.080 4.721 4.640 0.002 0.000 0.226 401 D C 1.720 178.167 176.300 0.245 0.000 1.020 401 D CA 0.895 55.067 54.000 0.287 0.000 0.892 401 D CB -0.536 40.375 40.800 0.186 0.000 0.900 401 D HN 0.352 nan 8.370 nan 0.000 0.531 402 G N -0.025 108.930 108.800 0.258 0.000 2.136 402 G HA2 -0.229 3.732 3.960 0.002 0.000 0.242 402 G HA3 -0.229 3.732 3.960 0.002 0.000 0.242 402 G C 0.324 175.177 174.900 -0.079 0.000 0.989 402 G CA 0.499 45.570 45.100 -0.049 0.000 0.682 402 G HN 0.819 nan 8.290 nan 0.000 0.522 403 T N -1.267 113.289 114.554 0.003 0.000 2.925 403 T HA 0.780 5.131 4.350 0.002 0.000 0.285 403 T C -2.504 172.199 174.700 0.006 0.000 1.021 403 T CA -1.841 60.243 62.100 -0.027 0.000 1.042 403 T CB 3.248 72.113 68.868 -0.006 0.000 1.037 403 T HN 0.103 nan 8.240 nan 0.000 0.481 404 P HA 0.033 nan 4.420 nan 0.000 0.271 404 P C 0.062 177.430 177.300 0.113 0.000 1.218 404 P CA -0.546 62.584 63.100 0.050 0.000 0.780 404 P CB 1.082 32.815 31.700 0.055 0.000 0.901 405 W N 3.041 124.295 121.300 -0.076 0.000 2.780 405 W HA 0.145 4.806 4.660 0.001 0.000 0.272 405 W C -0.547 175.930 176.519 -0.069 0.000 1.116 405 W CA 0.514 57.792 57.345 -0.111 0.000 1.600 405 W CB 0.345 29.674 29.460 -0.217 0.000 1.086 405 W HN 0.327 nan 8.180 nan 0.000 0.584 406 S N 0.277 115.987 115.700 0.017 0.000 2.575 406 S HA 0.296 4.767 4.470 0.002 0.000 0.278 406 S C 0.260 174.915 174.600 0.091 0.000 1.139 406 S CA 0.055 58.235 58.200 -0.034 0.000 0.954 406 S CB 1.503 64.719 63.200 0.027 0.000 1.054 406 S HN 0.144 nan 8.310 nan 0.000 0.483 407 T N 0.275 114.891 114.554 0.103 0.000 3.086 407 T HA 0.237 4.588 4.350 0.002 0.000 0.250 407 T C 0.340 175.208 174.700 0.281 0.000 1.074 407 T CA -0.071 62.156 62.100 0.211 0.000 0.988 407 T CB -0.086 68.898 68.868 0.193 0.000 0.988 407 T HN 0.502 nan 8.240 nan 0.000 0.530 408 D N 1.612 122.077 120.400 0.109 0.000 2.387 408 D HA 0.293 4.934 4.640 0.002 0.000 0.255 408 D C -0.134 175.994 176.300 -0.287 0.000 1.081 408 D CA -0.621 53.350 54.000 -0.049 0.000 0.994 408 D CB 1.403 42.144 40.800 -0.097 0.000 1.127 408 D HN 0.260 nan 8.370 nan 0.000 0.513 409 K N 0.824 120.755 120.400 -0.781 0.000 2.414 409 K HA 0.140 4.461 4.320 0.002 0.000 0.272 409 K C -0.183 176.289 176.600 -0.213 0.000 0.993 409 K CA -0.057 55.840 56.287 -0.649 0.000 0.964 409 K CB 0.566 32.673 32.500 -0.655 0.000 0.925 409 K HN 0.226 nan 8.250 nan 0.000 0.487 410 D N 1.137 121.489 120.400 -0.079 0.000 2.476 410 D HA 0.175 4.816 4.640 0.002 0.000 0.251 410 D C 0.594 176.932 176.300 0.062 0.000 1.291 410 D CA -0.498 53.521 54.000 0.032 0.000 0.939 410 D CB 1.456 42.322 40.800 0.109 0.000 1.221 410 D HN 0.622 nan 8.370 nan 0.000 0.567 411 G N 2.897 111.746 108.800 0.082 0.000 2.421 411 G HA2 -0.134 3.827 3.960 0.002 0.000 0.217 411 G HA3 -0.134 3.827 3.960 0.002 0.000 0.217 411 G C 1.588 176.533 174.900 0.075 0.000 1.143 411 G CA 0.431 45.599 45.100 0.114 0.000 0.784 411 G HN 0.572 nan 8.290 nan 0.000 0.541 412 I N 1.478 122.089 120.570 0.068 0.000 2.202 412 I HA -0.095 4.076 4.170 0.002 0.000 0.242 412 I C 2.693 178.789 176.117 -0.035 0.000 1.091 412 I CA 1.021 62.314 61.300 -0.011 0.000 1.368 412 I CB -0.238 37.722 38.000 -0.067 0.000 1.058 412 I HN 0.312 nan 8.210 nan 0.000 0.410 413 I N -1.785 118.765 120.570 -0.033 0.000 2.493 413 I HA -0.212 3.959 4.170 0.002 0.000 0.254 413 I C 2.325 178.468 176.117 0.043 0.000 1.160 413 I CA 1.313 62.533 61.300 -0.133 0.000 1.445 413 I CB -0.345 37.373 38.000 -0.471 0.000 1.086 413 I HN 0.114 nan 8.210 nan 0.000 0.433 414 M N 0.825 120.435 119.600 0.016 0.000 2.200 414 M HA -0.091 4.390 4.480 0.002 0.000 0.265 414 M C 2.451 178.712 176.300 -0.065 0.000 1.066 414 M CA 1.289 56.582 55.300 -0.012 0.000 1.127 414 M CB -1.370 30.937 32.600 -0.488 0.000 1.379 414 M HN 0.465 nan 8.290 nan 0.000 0.420 415 C N 0.338 119.534 119.300 -0.175 0.000 2.453 415 C HA -0.098 4.363 4.460 0.002 0.000 0.277 415 C C 2.909 177.607 174.990 -0.487 0.000 1.262 415 C CA 0.537 59.260 59.018 -0.492 0.000 1.718 415 C CB -1.140 26.163 27.740 -0.728 0.000 2.031 415 C HN 0.483 nan 8.230 nan 0.000 0.480 416 L N 0.242 121.335 121.223 -0.216 0.000 2.141 416 L HA -0.139 4.202 4.340 0.002 0.000 0.209 416 L C 2.501 179.353 176.870 -0.030 0.000 1.094 416 L CA 0.818 55.612 54.840 -0.076 0.000 0.763 416 L CB -0.634 41.401 42.059 -0.041 0.000 0.908 416 L HN 0.330 nan 8.230 nan 0.000 0.437 417 L N 0.339 121.569 121.223 0.011 0.000 2.042 417 L HA -0.185 4.156 4.340 0.002 0.000 0.210 417 L C 2.654 179.496 176.870 -0.046 0.000 1.076 417 L CA 2.015 56.850 54.840 -0.008 0.000 0.749 417 L CB -0.692 41.389 42.059 0.036 0.000 0.893 417 L HN 0.157 nan 8.230 nan 0.000 0.432 418 A N -0.543 122.315 122.820 0.063 0.000 1.940 418 A HA -0.159 4.162 4.320 0.002 0.000 0.219 418 A C 2.449 180.057 177.584 0.039 0.000 1.176 418 A CA 1.990 54.071 52.037 0.073 0.000 0.631 418 A CB -1.155 17.841 19.000 -0.007 0.000 0.814 418 A HN 0.598 nan 8.150 nan 0.000 0.446 419 A N -0.457 122.412 122.820 0.081 0.000 1.898 419 A HA -0.146 4.175 4.320 0.002 0.000 0.216 419 A C 2.038 179.619 177.584 -0.005 0.000 1.181 419 A CA 1.723 53.816 52.037 0.093 0.000 0.620 419 A CB -0.558 18.548 19.000 0.177 0.000 0.819 419 A HN 0.684 nan 8.150 nan 0.000 0.442 420 E N 0.036 120.198 120.200 -0.063 0.000 2.038 420 E HA -0.218 4.133 4.350 0.002 0.000 0.195 420 E C 1.889 178.325 176.600 -0.273 0.000 1.000 420 E CA 1.605 57.932 56.400 -0.122 0.000 0.803 420 E CB -0.300 29.333 29.700 -0.112 0.000 0.750 420 E HN 0.633 nan 8.360 nan 0.000 0.448 421 I N 0.864 121.129 120.570 -0.508 0.000 2.118 421 I HA -0.331 3.840 4.170 0.002 0.000 0.241 421 I C 2.551 178.543 176.117 -0.209 0.000 1.070 421 I CA 1.855 62.744 61.300 -0.686 0.000 1.327 421 I CB -0.545 37.080 38.000 -0.625 0.000 1.034 421 I HN 0.232 nan 8.210 nan 0.000 0.405 422 T N 0.656 115.165 114.554 -0.075 0.000 2.708 422 T HA -0.163 4.188 4.350 0.002 0.000 0.266 422 T C 2.048 176.759 174.700 0.019 0.000 1.037 422 T CA 1.425 63.537 62.100 0.020 0.000 1.146 422 T CB -0.424 68.465 68.868 0.035 0.000 0.865 422 T HN 0.494 nan 8.240 nan 0.000 0.435 423 A N 1.045 123.866 122.820 0.001 0.000 1.858 423 A HA -0.060 4.261 4.320 0.002 0.000 0.216 423 A C 2.617 180.218 177.584 0.029 0.000 1.190 423 A CA 1.565 53.613 52.037 0.019 0.000 0.617 423 A CB -1.074 17.938 19.000 0.020 0.000 0.827 423 A HN 0.348 nan 8.150 nan 0.000 0.443 424 V N 0.235 120.160 119.914 0.019 0.000 2.358 424 V HA -0.170 3.951 4.120 0.002 0.000 0.246 424 V C 2.792 178.946 176.094 0.100 0.000 1.047 424 V CA 2.346 64.686 62.300 0.066 0.000 1.035 424 V CB -0.999 30.883 31.823 0.098 0.000 0.658 424 V HN 0.848 nan 8.190 nan 0.000 0.452 425 T N -3.507 111.112 114.554 0.109 0.000 3.022 425 T HA 0.315 4.666 4.350 0.002 0.000 0.250 425 T C 1.611 176.381 174.700 0.117 0.000 1.060 425 T CA 0.932 63.136 62.100 0.173 0.000 1.013 425 T CB 0.754 69.825 68.868 0.340 0.000 0.982 425 T HN 0.901 nan 8.240 nan 0.000 0.508 426 G N 1.478 110.326 108.800 0.079 0.000 2.184 426 G HA2 -0.254 3.707 3.960 0.002 0.000 0.264 426 G HA3 -0.254 3.707 3.960 0.002 0.000 0.264 426 G C -0.096 174.815 174.900 0.018 0.000 0.975 426 G CA 0.419 45.544 45.100 0.043 0.000 0.642 426 G HN 0.691 nan 8.290 nan 0.000 0.536 427 K N 0.597 121.012 120.400 0.024 0.000 2.324 427 K HA 0.435 4.756 4.320 0.002 0.000 0.253 427 K C 0.104 176.736 176.600 0.054 0.000 0.932 427 K CA -0.639 55.607 56.287 -0.068 0.000 0.799 427 K CB 1.354 33.632 32.500 -0.370 0.000 1.154 427 K HN 0.339 nan 8.250 nan 0.000 0.425 428 N N 1.719 120.450 118.700 0.051 0.000 2.354 428 N HA 0.106 4.846 4.740 0.002 0.000 0.246 428 N C -2.197 173.440 175.510 0.212 0.000 1.285 428 N CA -1.282 51.834 53.050 0.109 0.000 0.925 428 N CB 0.199 38.724 38.487 0.062 0.000 1.174 428 N HN 0.129 nan 8.380 nan 0.000 0.478 429 P HA -0.144 nan 4.420 nan 0.000 0.220 429 P C 1.201 178.687 177.300 0.310 0.000 1.148 429 P CA 1.218 64.505 63.100 0.312 0.000 0.803 429 P CB 0.163 32.058 31.700 0.325 0.000 0.782 430 Q N 0.717 120.644 119.800 0.213 0.000 2.084 430 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 430 Q C 1.907 178.025 176.000 0.196 0.000 0.978 430 Q CA 1.803 57.730 55.803 0.207 0.000 0.844 430 Q CB -0.776 28.040 28.738 0.129 0.000 0.898 430 Q HN 0.297 nan 8.270 nan 0.000 0.426 431 E N -1.015 119.253 120.200 0.112 0.000 2.110 431 E HA -0.196 4.155 4.350 0.002 0.000 0.193 431 E C 2.072 178.673 176.600 0.003 0.000 0.988 431 E CA 1.057 57.469 56.400 0.021 0.000 0.804 431 E CB -0.233 29.428 29.700 -0.064 0.000 0.745 431 E HN 0.520 nan 8.360 nan 0.000 0.458 432 H N -0.440 118.694 119.070 0.106 0.000 2.353 432 H HA -0.159 4.398 4.556 0.001 0.000 0.300 432 H C 2.003 177.397 175.328 0.110 0.000 1.090 432 H CA 1.533 57.642 56.048 0.102 0.000 1.327 432 H CB -0.359 29.474 29.762 0.118 0.000 1.383 432 H HN 0.253 nan 8.280 nan 0.000 0.508 433 Y N 2.403 122.818 120.300 0.192 0.000 2.181 433 Y HA -0.227 4.324 4.550 0.002 0.000 0.288 433 Y C 2.151 178.085 175.900 0.057 0.000 1.146 433 Y CA 1.316 59.485 58.100 0.116 0.000 1.164 433 Y CB -0.213 38.311 38.460 0.108 0.000 0.982 433 Y HN 0.108 nan 8.280 nan 0.000 0.515 434 N N 0.320 119.074 118.700 0.090 0.000 2.149 434 N HA -0.204 4.537 4.740 0.002 0.000 0.188 434 N C 2.060 177.514 175.510 -0.093 0.000 1.019 434 N CA 1.927 54.975 53.050 -0.003 0.000 0.857 434 N CB -0.699 37.819 38.487 0.051 0.000 0.997 434 N HN 0.709 nan 8.380 nan 0.000 0.426 435 E N 1.470 121.628 120.200 -0.071 0.000 2.107 435 E HA 0.006 4.357 4.350 0.002 0.000 0.191 435 E C 2.284 178.799 176.600 -0.143 0.000 0.982 435 E CA 0.686 57.034 56.400 -0.087 0.000 0.809 435 E CB -0.779 28.894 29.700 -0.046 0.000 0.756 435 E HN 0.305 nan 8.360 nan 0.000 0.459 436 L N -0.159 120.974 121.223 -0.151 0.000 2.046 436 L HA -0.111 4.230 4.340 0.002 0.000 0.208 436 L C 3.139 179.890 176.870 -0.199 0.000 1.077 436 L CA 1.248 56.000 54.840 -0.146 0.000 0.747 436 L CB -0.422 41.576 42.059 -0.102 0.000 0.896 436 L HN 0.458 nan 8.230 nan 0.000 0.432 437 A N -0.060 122.537 122.820 -0.372 0.000 1.933 437 A HA -0.134 4.187 4.320 0.002 0.000 0.218 437 A C 2.515 180.035 177.584 -0.107 0.000 1.175 437 A CA 1.605 53.499 52.037 -0.239 0.000 0.628 437 A CB -0.601 18.233 19.000 -0.276 0.000 0.814 437 A HN 0.407 nan 8.150 nan 0.000 0.444 438 A N -0.489 122.252 122.820 -0.131 0.000 1.969 438 A HA -0.124 4.197 4.320 0.002 0.000 0.218 438 A C 2.226 179.715 177.584 -0.157 0.000 1.169 438 A CA 1.707 53.679 52.037 -0.107 0.000 0.635 438 A CB -0.391 18.549 19.000 -0.099 0.000 0.810 438 A HN 0.548 nan 8.150 nan 0.000 0.445 439 R N -2.075 118.253 120.500 -0.286 0.000 2.075 439 R HA 0.022 4.362 4.340 0.002 0.000 0.226 439 R C 0.748 176.715 176.300 -0.554 0.000 1.114 439 R CA 1.496 57.272 56.100 -0.540 0.000 0.972 439 R CB -0.115 29.646 30.300 -0.899 0.000 0.869 439 R HN 0.471 nan 8.270 nan 0.000 0.437 440 F N -0.551 119.410 119.950 0.019 0.000 2.682 440 F HA 0.442 4.970 4.527 0.001 0.000 0.308 440 F C 0.516 176.438 175.800 0.203 0.000 1.093 440 F CA 0.325 58.366 58.000 0.069 0.000 1.244 440 F CB 1.177 40.230 39.000 0.089 0.000 1.052 440 F HN 0.208 nan 8.300 nan 0.000 0.573 441 G N 0.913 109.883 108.800 0.283 0.000 2.712 441 G HA2 0.253 4.214 3.960 0.002 0.000 0.686 441 G HA3 0.253 4.214 3.960 0.002 0.000 0.686 441 G C -0.693 174.338 174.900 0.218 0.000 1.181 441 G CA -0.821 44.459 45.100 0.300 0.000 0.762 441 G HN 0.576 nan 8.290 nan 0.000 0.641 442 A N 3.535 126.403 122.820 0.079 0.000 2.366 442 A HA 0.793 5.114 4.320 0.002 0.000 0.322 442 A C -1.047 176.472 177.584 -0.108 0.000 1.397 442 A CA -0.892 51.140 52.037 -0.009 0.000 0.984 442 A CB 0.333 19.353 19.000 0.033 0.000 1.149 442 A HN 0.779 nan 8.150 nan 0.000 0.540 443 P HA 0.207 nan 4.420 nan 0.000 0.274 443 P C -0.224 177.020 177.300 -0.093 0.000 1.237 443 P CA -0.116 62.699 63.100 -0.475 0.000 0.793 443 P CB 1.355 32.513 31.700 -0.905 0.000 0.977 444 S N 1.517 117.194 115.700 -0.039 0.000 2.478 444 S HA 0.492 4.963 4.470 0.002 0.000 0.312 444 S C -1.566 173.073 174.600 0.065 0.000 1.094 444 S CA -0.555 57.674 58.200 0.049 0.000 1.081 444 S CB -0.024 63.195 63.200 0.031 0.000 1.007 444 S HN 0.435 nan 8.310 nan 0.000 0.475 445 Y N 4.673 124.957 120.300 -0.026 0.000 2.462 445 Y HA 0.699 5.250 4.550 0.002 0.000 0.346 445 Y C -0.527 175.349 175.900 -0.040 0.000 0.976 445 Y CA -0.572 57.502 58.100 -0.043 0.000 1.044 445 Y CB 1.606 40.088 38.460 0.037 0.000 1.230 445 Y HN 0.759 nan 8.280 nan 0.000 0.455 446 N N 2.829 121.295 118.700 -0.391 0.000 2.484 446 N HA 0.483 5.224 4.740 0.002 0.000 0.269 446 N C -2.062 173.238 175.510 -0.350 0.000 1.237 446 N CA -0.861 52.060 53.050 -0.215 0.000 0.838 446 N CB 1.875 40.273 38.487 -0.148 0.000 1.593 446 N HN 0.727 nan 8.380 nan 0.000 0.485 447 R N 1.294 121.677 120.500 -0.195 0.000 2.494 447 R HA 0.649 4.990 4.340 0.002 0.000 0.305 447 R C -0.686 175.477 176.300 -0.229 0.000 0.959 447 R CA -0.697 55.241 56.100 -0.270 0.000 0.864 447 R CB 1.527 31.689 30.300 -0.231 0.000 1.159 447 R HN 0.415 nan 8.270 nan 0.000 0.446 448 L N 1.264 122.331 121.223 -0.259 0.000 2.319 448 L HA 0.600 4.941 4.340 0.002 0.000 0.267 448 L C -0.332 176.374 176.870 -0.273 0.000 1.011 448 L CA -0.949 53.760 54.840 -0.219 0.000 0.818 448 L CB 1.824 43.775 42.059 -0.181 0.000 1.316 448 L HN 0.485 nan 8.230 nan 0.000 0.432 449 Q N 0.738 120.368 119.800 -0.283 0.000 2.353 449 Q HA 0.793 5.134 4.340 0.002 0.000 0.275 449 Q C -2.038 173.718 176.000 -0.406 0.000 1.029 449 Q CA -0.552 55.030 55.803 -0.367 0.000 0.848 449 Q CB 3.088 31.680 28.738 -0.243 0.000 1.390 449 Q HN 0.835 nan 8.270 nan 0.000 0.401 450 A N 1.601 124.043 122.820 -0.630 0.000 2.609 450 A HA 0.713 5.034 4.320 0.002 0.000 0.291 450 A C -1.059 176.348 177.584 -0.295 0.000 1.096 450 A CA -0.551 51.239 52.037 -0.410 0.000 0.684 450 A CB 1.945 20.757 19.000 -0.313 0.000 1.282 450 A HN 0.584 nan 8.150 nan 0.000 0.412 451 S N -0.335 115.318 115.700 -0.078 0.000 2.568 451 S HA 0.545 5.016 4.470 0.002 0.000 0.282 451 S C 0.197 174.889 174.600 0.153 0.000 1.338 451 S CA 0.561 58.774 58.200 0.022 0.000 1.045 451 S CB 0.740 63.953 63.200 0.022 0.000 0.873 451 S HN 1.843 nan 8.310 nan 0.000 0.516 452 A N 2.193 125.106 122.820 0.154 0.000 2.459 452 A HA 0.630 4.951 4.320 0.002 0.000 0.296 452 A C 0.051 177.692 177.584 0.094 0.000 1.039 452 A CA -0.911 51.227 52.037 0.168 0.000 0.698 452 A CB 0.898 20.052 19.000 0.257 0.000 1.261 452 A HN 0.781 nan 8.150 nan 0.000 0.405 453 T N 0.106 114.699 114.554 0.066 0.000 2.856 453 T HA 0.305 4.656 4.350 0.002 0.000 0.306 453 T C 1.332 176.058 174.700 0.044 0.000 1.062 453 T CA 0.535 62.662 62.100 0.045 0.000 1.083 453 T CB 0.911 69.798 68.868 0.032 0.000 0.984 453 T HN 0.584 nan 8.240 nan 0.000 0.542 454 S N 1.307 117.029 115.700 0.037 0.000 2.402 454 S HA -0.143 4.328 4.470 0.002 0.000 0.233 454 S C 2.373 176.991 174.600 0.031 0.000 1.030 454 S CA 1.268 59.489 58.200 0.036 0.000 1.003 454 S CB -0.993 62.225 63.200 0.030 0.000 0.813 454 S HN 0.892 nan 8.310 nan 0.000 0.477 455 A N 0.847 123.682 122.820 0.024 0.000 1.858 455 A HA -0.124 4.197 4.320 0.002 0.000 0.216 455 A C 2.333 179.926 177.584 0.015 0.000 1.190 455 A CA 2.149 54.197 52.037 0.018 0.000 0.617 455 A CB -1.438 17.570 19.000 0.013 0.000 0.827 455 A HN 0.604 nan 8.150 nan 0.000 0.443 456 Q N -0.263 119.545 119.800 0.013 0.000 2.167 456 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 456 Q C 2.100 178.105 176.000 0.008 0.000 0.970 456 Q CA 2.233 58.035 55.803 -0.002 0.000 0.855 456 Q CB -0.695 28.037 28.738 -0.011 0.000 0.911 456 Q HN 0.797 nan 8.270 nan 0.000 0.438 457 K N -0.385 120.037 120.400 0.036 0.000 2.097 457 K HA 0.048 4.369 4.320 0.002 0.000 0.206 457 K C 2.310 178.938 176.600 0.047 0.000 1.049 457 K CA 1.169 57.490 56.287 0.057 0.000 0.933 457 K CB -0.305 32.237 32.500 0.069 0.000 0.717 457 K HN 0.473 nan 8.250 nan 0.000 0.442 458 A N 0.647 123.488 122.820 0.036 0.000 1.929 458 A HA 0.021 4.342 4.320 0.002 0.000 0.216 458 A C 2.246 179.845 177.584 0.025 0.000 1.176 458 A CA 1.435 53.491 52.037 0.032 0.000 0.628 458 A CB -0.704 18.312 19.000 0.027 0.000 0.816 458 A HN 0.420 nan 8.150 nan 0.000 0.444 459 A N 0.097 122.927 122.820 0.016 0.000 1.841 459 A HA -0.140 4.181 4.320 0.002 0.000 0.216 459 A C 2.087 179.677 177.584 0.011 0.000 1.199 459 A CA 1.882 53.924 52.037 0.008 0.000 0.621 459 A CB -0.965 18.032 19.000 -0.004 0.000 0.835 459 A HN 0.818 nan 8.150 nan 0.000 0.445 460 L N 0.165 121.392 121.223 0.007 0.000 2.137 460 L HA -0.186 4.155 4.340 0.002 0.000 0.213 460 L C 2.558 179.451 176.870 0.038 0.000 1.085 460 L CA 2.645 57.495 54.840 0.017 0.000 0.760 460 L CB -0.848 41.220 42.059 0.014 0.000 0.893 460 L HN 0.404 nan 8.230 nan 0.000 0.434 461 S N -0.488 115.237 115.700 0.042 0.000 2.382 461 S HA -0.091 4.380 4.470 0.002 0.000 0.228 461 S C 1.406 176.028 174.600 0.036 0.000 1.027 461 S CA 1.397 59.626 58.200 0.047 0.000 0.991 461 S CB -0.280 62.950 63.200 0.049 0.000 0.823 461 S HN 0.565 nan 8.310 nan 0.000 0.469 462 K N 1.246 121.663 120.400 0.027 0.000 2.800 462 K HA 0.619 4.939 4.320 0.002 0.000 0.185 462 K C -0.571 176.037 176.600 0.014 0.000 1.082 462 K CA -0.345 55.954 56.287 0.020 0.000 0.978 462 K CB -0.304 32.208 32.500 0.020 0.000 1.364 462 K HN 0.438 nan 8.250 nan 0.000 0.592 463 L N 0.219 121.450 121.223 0.013 0.000 2.352 463 L HA 0.597 4.938 4.340 0.002 0.000 0.269 463 L C 0.718 177.591 176.870 0.004 0.000 1.034 463 L CA -1.145 53.701 54.840 0.010 0.000 0.806 463 L CB 2.126 44.194 42.059 0.014 0.000 1.244 463 L HN 0.410 nan 8.230 nan 0.000 0.447 464 S N 0.516 116.217 115.700 0.003 0.000 2.565 464 S HA 0.416 4.887 4.470 0.002 0.000 0.290 464 S C -1.831 172.767 174.600 -0.002 0.000 1.150 464 S CA -1.548 56.651 58.200 -0.001 0.000 1.058 464 S CB 1.551 64.751 63.200 0.000 0.000 1.032 464 S HN 0.339 nan 8.310 nan 0.000 0.510 465 P HA -0.100 nan 4.420 nan 0.000 0.216 465 P C 1.021 178.319 177.300 -0.003 0.000 1.150 465 P CA 0.837 63.930 63.100 -0.012 0.000 0.837 465 P CB 0.054 31.742 31.700 -0.020 0.000 0.786 466 E N -0.490 119.710 120.200 -0.000 0.000 2.489 466 E HA -0.017 4.334 4.350 0.002 0.000 0.193 466 E C 1.346 177.952 176.600 0.010 0.000 1.057 466 E CA 0.330 56.733 56.400 0.005 0.000 0.866 466 E CB -0.876 28.825 29.700 0.003 0.000 0.916 466 E HN 0.298 nan 8.360 nan 0.000 0.500 467 M N 0.641 120.248 119.600 0.011 0.000 2.619 467 M HA 0.051 4.532 4.480 0.002 0.000 0.251 467 M C 0.208 176.522 176.300 0.023 0.000 1.106 467 M CA 0.198 55.507 55.300 0.014 0.000 1.086 467 M CB 0.465 33.072 32.600 0.012 0.000 1.465 467 M HN -0.174 nan 8.290 nan 0.000 0.506 468 V N 1.446 121.378 119.914 0.029 0.000 2.405 468 V HA 0.126 4.247 4.120 0.002 0.000 0.264 468 V C 1.220 177.337 176.094 0.038 0.000 1.048 468 V CA 0.286 62.613 62.300 0.045 0.000 0.966 468 V CB 0.423 32.281 31.823 0.058 0.000 1.015 468 V HN 0.439 nan 8.190 nan 0.000 0.477 469 S N 4.068 119.790 115.700 0.036 0.000 2.763 469 S HA 0.602 5.073 4.470 0.002 0.000 0.237 469 S C 0.777 175.398 174.600 0.034 0.000 0.966 469 S CA 0.330 58.547 58.200 0.029 0.000 1.017 469 S CB 0.028 63.241 63.200 0.021 0.000 0.780 469 S HN 0.938 nan 8.310 nan 0.000 0.476 470 A N 0.351 123.200 122.820 0.048 0.000 2.304 470 A HA 0.693 5.014 4.320 0.002 0.000 0.323 470 A C 1.060 178.676 177.584 0.053 0.000 1.195 470 A CA 0.081 52.151 52.037 0.056 0.000 0.826 470 A CB 1.089 20.139 19.000 0.083 0.000 1.184 470 A HN 0.373 nan 8.150 nan 0.000 0.496 471 S N 1.313 117.041 115.700 0.046 0.000 2.483 471 S HA 0.169 4.640 4.470 0.002 0.000 0.221 471 S C 0.860 175.491 174.600 0.051 0.000 1.030 471 S CA 1.247 59.472 58.200 0.042 0.000 0.925 471 S CB -0.024 63.195 63.200 0.033 0.000 0.795 471 S HN 1.009 nan 8.310 nan 0.000 0.511 472 T N 0.462 115.052 114.554 0.060 0.000 2.865 472 T HA 0.677 5.027 4.350 0.002 0.000 0.294 472 T C -2.308 172.445 174.700 0.088 0.000 1.119 472 T CA -0.619 61.523 62.100 0.069 0.000 1.007 472 T CB 1.500 70.403 68.868 0.058 0.000 1.225 472 T HN 0.189 nan 8.240 nan 0.000 0.515 473 L N 2.964 124.248 121.223 0.101 0.000 2.528 473 L HA 0.728 5.068 4.340 0.002 0.000 0.267 473 L C 0.165 177.093 176.870 0.097 0.000 0.961 473 L CA 0.551 55.456 54.840 0.110 0.000 0.866 473 L CB 1.105 43.265 42.059 0.167 0.000 1.248 473 L HN 1.105 nan 8.230 nan 0.000 0.404 474 A N 3.942 126.784 122.820 0.037 0.000 2.415 474 A HA 0.184 4.505 4.320 0.002 0.000 0.292 474 A C 1.600 179.293 177.584 0.182 0.000 1.452 474 A CA 1.583 53.630 52.037 0.016 0.000 0.750 474 A CB -2.040 16.790 19.000 -0.282 0.000 1.099 474 A HN 2.593 nan 8.150 nan 0.000 0.391 475 G N -1.319 107.556 108.800 0.125 0.000 2.199 475 G HA2 -0.201 3.760 3.960 0.002 0.000 0.254 475 G HA3 -0.201 3.760 3.960 0.002 0.000 0.254 475 G C -0.214 174.753 174.900 0.111 0.000 0.982 475 G CA 0.630 45.802 45.100 0.119 0.000 0.632 475 G HN 1.120 nan 8.290 nan 0.000 0.529 476 D N 0.837 121.317 120.400 0.132 0.000 2.457 476 D HA 0.516 5.157 4.640 0.002 0.000 0.240 476 D C -2.727 173.627 176.300 0.091 0.000 1.041 476 D CA -1.432 52.633 54.000 0.109 0.000 0.861 476 D CB 1.974 42.855 40.800 0.135 0.000 1.394 476 D HN -0.016 nan 8.370 nan 0.000 0.473 477 P HA 0.139 nan 4.420 nan 0.000 0.268 477 P C 0.050 177.388 177.300 0.064 0.000 1.204 477 P CA -0.056 63.079 63.100 0.058 0.000 0.768 477 P CB 0.593 32.318 31.700 0.042 0.000 0.842 478 I N 2.731 123.338 120.570 0.061 0.000 2.517 478 I HA -0.019 4.152 4.170 0.002 0.000 0.285 478 I C 1.662 177.803 176.117 0.039 0.000 1.106 478 I CA 0.555 61.891 61.300 0.060 0.000 1.402 478 I CB 0.562 38.597 38.000 0.058 0.000 1.399 478 I HN 0.470 nan 8.210 nan 0.000 0.535 479 T N 2.054 116.630 114.554 0.037 0.000 3.037 479 T HA 0.420 4.771 4.350 0.002 0.000 0.252 479 T C 0.442 175.143 174.700 0.002 0.000 1.073 479 T CA 0.053 62.164 62.100 0.019 0.000 1.091 479 T CB 0.442 69.322 68.868 0.019 0.000 0.935 479 T HN 0.617 nan 8.240 nan 0.000 0.488 480 A N 0.845 123.663 122.820 -0.003 0.000 2.520 480 A HA 0.794 5.115 4.320 0.002 0.000 0.298 480 A C -1.117 176.444 177.584 -0.039 0.000 1.051 480 A CA -1.144 50.877 52.037 -0.027 0.000 0.690 480 A CB 1.377 20.350 19.000 -0.044 0.000 1.281 480 A HN 0.304 nan 8.150 nan 0.000 0.402 481 R N 1.511 121.984 120.500 -0.044 0.000 2.422 481 R HA 0.574 4.915 4.340 0.002 0.000 0.307 481 R C -1.499 174.763 176.300 -0.063 0.000 1.004 481 R CA -0.243 55.824 56.100 -0.055 0.000 0.882 481 R CB 1.491 31.773 30.300 -0.029 0.000 1.164 481 R HN 0.631 nan 8.270 nan 0.000 0.489 482 L N 1.837 123.008 121.223 -0.087 0.000 2.346 482 L HA 0.503 4.844 4.340 0.002 0.000 0.276 482 L C 0.994 177.817 176.870 -0.079 0.000 1.006 482 L CA -0.498 54.289 54.840 -0.088 0.000 0.817 482 L CB 2.240 44.230 42.059 -0.114 0.000 1.272 482 L HN 0.702 nan 8.230 nan 0.000 0.421 483 T N -2.117 112.398 114.554 -0.066 0.000 3.004 483 T HA 0.487 4.838 4.350 0.002 0.000 0.266 483 T C 0.251 174.909 174.700 -0.070 0.000 0.986 483 T CA 0.009 62.077 62.100 -0.054 0.000 0.902 483 T CB 0.704 69.553 68.868 -0.032 0.000 1.118 483 T HN 0.522 nan 8.240 nan 0.000 0.522 484 A N 0.966 123.732 122.820 -0.089 0.000 2.401 484 A HA 0.910 5.231 4.320 0.002 0.000 0.310 484 A C -0.050 177.444 177.584 -0.150 0.000 1.075 484 A CA -0.750 51.217 52.037 -0.116 0.000 0.746 484 A CB 1.195 20.138 19.000 -0.095 0.000 1.277 484 A HN 0.653 nan 8.150 nan 0.000 0.425 485 A N 2.546 125.243 122.820 -0.206 0.000 2.454 485 A HA 0.553 4.874 4.320 0.002 0.000 0.260 485 A C -1.632 175.847 177.584 -0.174 0.000 1.106 485 A CA -1.096 50.804 52.037 -0.228 0.000 0.780 485 A CB -0.285 18.512 19.000 -0.337 0.000 1.044 485 A HN 0.529 nan 8.150 nan 0.000 0.498 486 P HA -0.131 nan 4.420 nan 0.000 0.216 486 P C 1.665 178.911 177.300 -0.089 0.000 1.150 486 P CA 1.880 64.914 63.100 -0.109 0.000 0.837 486 P CB 0.188 31.823 31.700 -0.108 0.000 0.786 487 G N 0.320 109.064 108.800 -0.093 0.000 2.394 487 G HA2 -0.206 3.755 3.960 0.002 0.000 0.214 487 G HA3 -0.206 3.755 3.960 0.002 0.000 0.214 487 G C 1.207 176.090 174.900 -0.028 0.000 1.176 487 G CA 0.971 46.047 45.100 -0.040 0.000 0.786 487 G HN 0.384 nan 8.290 nan 0.000 0.533 488 N N -1.354 117.294 118.700 -0.086 0.000 2.166 488 N HA 0.212 4.953 4.740 0.002 0.000 0.213 488 N C 1.416 176.867 175.510 -0.100 0.000 1.222 488 N CA 0.814 53.822 53.050 -0.070 0.000 0.900 488 N CB 0.048 38.498 38.487 -0.061 0.000 1.055 488 N HN 0.552 nan 8.380 nan 0.000 0.515 489 G N -0.301 108.419 108.800 -0.133 0.000 2.162 489 G HA2 -0.194 3.767 3.960 0.002 0.000 0.260 489 G HA3 -0.194 3.767 3.960 0.002 0.000 0.260 489 G C 0.303 175.121 174.900 -0.138 0.000 0.976 489 G CA 0.297 45.329 45.100 -0.114 0.000 0.655 489 G HN 0.837 nan 8.290 nan 0.000 0.533 490 A N 0.073 122.749 122.820 -0.240 0.000 2.407 490 A HA 0.720 5.041 4.320 0.002 0.000 0.248 490 A C 1.029 178.470 177.584 -0.238 0.000 1.082 490 A CA 1.024 52.898 52.037 -0.272 0.000 0.785 490 A CB 0.619 19.238 19.000 -0.634 0.000 1.020 490 A HN 1.755 nan 8.150 nan 0.000 0.489 491 S N 0.762 116.390 115.700 -0.120 0.000 2.546 491 S HA 0.101 4.572 4.470 0.002 0.000 0.290 491 S C 1.130 175.669 174.600 -0.103 0.000 1.290 491 S CA 0.241 58.395 58.200 -0.076 0.000 1.069 491 S CB -0.301 62.894 63.200 -0.007 0.000 0.846 491 S HN 0.966 nan 8.310 nan 0.000 0.495 492 I N 2.693 123.205 120.570 -0.097 0.000 3.251 492 I HA 0.340 4.511 4.170 0.002 0.000 0.277 492 I C 1.328 177.441 176.117 -0.007 0.000 1.268 492 I CA 0.314 61.560 61.300 -0.090 0.000 1.449 492 I CB -0.946 36.989 38.000 -0.108 0.000 1.083 492 I HN 0.851 nan 8.210 nan 0.000 0.464 493 G N 1.199 110.008 108.800 0.015 0.000 2.273 493 G HA2 -0.010 3.951 3.960 0.002 0.000 0.280 493 G HA3 -0.010 3.951 3.960 0.002 0.000 0.280 493 G C 0.280 175.216 174.900 0.059 0.000 1.047 493 G CA 0.190 45.319 45.100 0.049 0.000 0.869 493 G HN 1.162 nan 8.290 nan 0.000 0.502 494 G N -1.635 107.189 108.800 0.041 0.000 2.441 494 G HA2 0.621 4.582 3.960 0.002 0.000 0.225 494 G HA3 0.621 4.582 3.960 0.002 0.000 0.225 494 G C -1.565 173.355 174.900 0.032 0.000 1.200 494 G CA 0.125 45.261 45.100 0.060 0.000 0.947 494 G HN 1.611 nan 8.290 nan 0.000 0.484 495 L N 0.182 121.432 121.223 0.046 0.000 2.464 495 L HA 0.861 5.202 4.340 0.002 0.000 0.266 495 L C -0.766 176.057 176.870 -0.079 0.000 0.965 495 L CA -0.662 54.173 54.840 -0.007 0.000 0.833 495 L CB 2.132 44.211 42.059 0.033 0.000 1.296 495 L HN 0.740 nan 8.230 nan 0.000 0.405 496 K N 3.914 124.221 120.400 -0.155 0.000 2.292 496 K HA 0.832 5.153 4.320 0.002 0.000 0.257 496 K C -1.889 174.524 176.600 -0.312 0.000 0.940 496 K CA -0.674 55.471 56.287 -0.237 0.000 0.811 496 K CB 1.916 34.312 32.500 -0.174 0.000 1.120 496 K HN 0.528 nan 8.250 nan 0.000 0.428 497 V N 5.449 125.063 119.914 -0.499 0.000 2.588 497 V HA 0.491 4.612 4.120 0.002 0.000 0.304 497 V C -0.520 175.530 176.094 -0.074 0.000 1.042 497 V CA -0.757 61.349 62.300 -0.323 0.000 0.877 497 V CB 1.643 33.209 31.823 -0.428 0.000 0.996 497 V HN 0.851 nan 8.190 nan 0.000 0.425 498 M N 3.772 123.384 119.600 0.020 0.000 2.602 498 M HA 0.719 5.200 4.480 0.002 0.000 0.312 498 M C -0.102 176.270 176.300 0.119 0.000 1.181 498 M CA -0.431 54.943 55.300 0.124 0.000 0.910 498 M CB 2.639 35.283 32.600 0.072 0.000 1.723 498 M HN 0.794 nan 8.290 nan 0.000 0.459 499 T N -3.569 111.084 114.554 0.166 0.000 2.858 499 T HA 0.521 4.872 4.350 0.002 0.000 0.285 499 T C 0.610 175.385 174.700 0.125 0.000 1.052 499 T CA -0.050 62.130 62.100 0.133 0.000 1.009 499 T CB 0.910 69.872 68.868 0.156 0.000 1.241 499 T HN 0.686 nan 8.240 nan 0.000 0.542 500 D N 0.212 120.664 120.400 0.087 0.000 2.263 500 D HA -0.070 4.571 4.640 0.002 0.000 0.208 500 D C 1.413 177.761 176.300 0.079 0.000 0.971 500 D CA 1.004 55.038 54.000 0.057 0.000 0.867 500 D CB -0.540 40.276 40.800 0.027 0.000 0.929 500 D HN 0.558 nan 8.370 nan 0.000 0.492 501 N N -0.745 118.041 118.700 0.142 0.000 2.184 501 N HA 0.400 5.141 4.740 0.002 0.000 0.206 501 N C 0.654 176.364 175.510 0.333 0.000 1.151 501 N CA 0.853 54.013 53.050 0.184 0.000 0.878 501 N CB 1.793 40.320 38.487 0.067 0.000 1.014 501 N HN 0.588 nan 8.380 nan 0.000 0.512 502 G N 0.074 109.086 108.800 0.353 0.000 2.315 502 G HA2 0.375 4.336 3.960 0.002 0.000 0.294 502 G HA3 0.375 4.336 3.960 0.002 0.000 0.294 502 G C -2.249 172.879 174.900 0.381 0.000 1.300 502 G CA -0.848 44.463 45.100 0.351 0.000 0.843 502 G HN 0.073 nan 8.290 nan 0.000 0.527 503 W N -1.160 120.252 121.300 0.187 0.000 3.059 503 W HA 0.719 5.380 4.660 0.001 0.000 0.329 503 W C -2.104 174.531 176.519 0.193 0.000 1.246 503 W CA -1.709 55.713 57.345 0.129 0.000 1.190 503 W CB 0.840 30.345 29.460 0.075 0.000 1.423 503 W HN 1.070 nan 8.180 nan 0.000 0.571 504 F N 0.848 120.996 119.950 0.329 0.000 2.599 504 F HA 0.918 5.446 4.527 0.001 0.000 0.311 504 F C -1.240 174.854 175.800 0.489 0.000 1.076 504 F CA -1.184 56.951 58.000 0.226 0.000 0.937 504 F CB 1.560 40.589 39.000 0.048 0.000 1.282 504 F HN 0.681 nan 8.300 nan 0.000 0.460 505 A N 1.906 125.100 122.820 0.624 0.000 2.414 505 A HA 0.955 5.276 4.320 0.002 0.000 0.306 505 A C -1.493 176.445 177.584 0.590 0.000 1.054 505 A CA -0.415 51.866 52.037 0.406 0.000 0.724 505 A CB 1.273 20.472 19.000 0.331 0.000 1.267 505 A HN 1.823 nan 8.150 nan 0.000 0.418 506 A N 2.112 125.200 122.820 0.448 0.000 2.393 506 A HA 0.919 5.240 4.320 0.002 0.000 0.306 506 A C -0.312 177.461 177.584 0.315 0.000 1.050 506 A CA -0.667 51.636 52.037 0.444 0.000 0.724 506 A CB 1.095 20.363 19.000 0.447 0.000 1.248 506 A HN 1.426 nan 8.150 nan 0.000 0.424 507 R N 1.627 122.328 120.500 0.335 0.000 2.663 507 R HA 0.684 5.025 4.340 0.002 0.000 0.267 507 R C -3.347 173.109 176.300 0.259 0.000 1.038 507 R CA -1.705 54.547 56.100 0.253 0.000 0.886 507 R CB 1.726 32.167 30.300 0.234 0.000 1.249 507 R HN 0.419 nan 8.270 nan 0.000 0.463 508 P HA 0.011 nan 4.420 nan 0.000 0.274 508 P C -0.411 176.984 177.300 0.158 0.000 1.246 508 P CA -0.299 62.913 63.100 0.186 0.000 0.795 508 P CB 1.236 33.017 31.700 0.137 0.000 1.006 509 S N 0.094 115.870 115.700 0.127 0.000 2.584 509 S HA 0.352 4.823 4.470 0.002 0.000 0.273 509 S C 1.639 176.287 174.600 0.080 0.000 1.311 509 S CA 0.146 58.402 58.200 0.094 0.000 1.034 509 S CB 0.213 63.446 63.200 0.056 0.000 0.939 509 S HN 0.548 nan 8.310 nan 0.000 0.513 510 G N 1.739 110.582 108.800 0.071 0.000 2.396 510 G HA2 -0.048 3.913 3.960 0.002 0.000 0.214 510 G HA3 -0.048 3.913 3.960 0.002 0.000 0.214 510 G C 1.258 176.180 174.900 0.037 0.000 1.166 510 G CA 1.071 46.204 45.100 0.055 0.000 0.793 510 G HN 0.837 nan 8.290 nan 0.000 0.533 511 T N -0.568 114.002 114.554 0.026 0.000 2.925 511 T HA 0.209 4.560 4.350 0.002 0.000 0.245 511 T C 0.997 175.706 174.700 0.016 0.000 1.025 511 T CA 0.251 62.358 62.100 0.012 0.000 1.149 511 T CB 0.166 69.030 68.868 -0.007 0.000 0.866 511 T HN 0.285 nan 8.240 nan 0.000 0.437 512 E N 1.371 121.581 120.200 0.016 0.000 2.254 512 E HA 0.260 4.611 4.350 0.002 0.000 0.261 512 E C -0.990 175.628 176.600 0.029 0.000 1.051 512 E CA -0.750 55.659 56.400 0.015 0.000 0.902 512 E CB 0.644 30.345 29.700 0.002 0.000 1.168 512 E HN 0.138 nan 8.360 nan 0.000 0.423 513 D N 1.157 121.574 120.400 0.030 0.000 2.545 513 D HA 0.321 4.962 4.640 0.002 0.000 0.227 513 D C -0.853 175.479 176.300 0.053 0.000 1.150 513 D CA 0.342 54.369 54.000 0.044 0.000 1.046 513 D CB 0.004 40.828 40.800 0.039 0.000 1.098 513 D HN 0.393 nan 8.370 nan 0.000 0.502 514 A N 1.536 124.395 122.820 0.066 0.000 2.609 514 A HA 0.642 4.963 4.320 0.002 0.000 0.291 514 A C -1.471 176.190 177.584 0.127 0.000 1.096 514 A CA -1.021 51.048 52.037 0.053 0.000 0.684 514 A CB 1.172 20.149 19.000 -0.038 0.000 1.282 514 A HN 0.287 nan 8.150 nan 0.000 0.412 515 Y N -0.598 119.714 120.300 0.020 0.000 2.549 515 Y HA 0.865 5.416 4.550 0.002 0.000 0.339 515 Y C -0.444 175.464 175.900 0.012 0.000 1.053 515 Y CA -1.023 57.098 58.100 0.036 0.000 1.105 515 Y CB 1.474 39.960 38.460 0.043 0.000 1.258 515 Y HN 0.569 nan 8.280 nan 0.000 0.478 516 K N 2.740 123.200 120.400 0.099 0.000 2.318 516 K HA 0.659 4.980 4.320 0.002 0.000 0.249 516 K C -1.575 175.066 176.600 0.069 0.000 0.942 516 K CA -0.693 55.548 56.287 -0.077 0.000 0.808 516 K CB 2.617 35.038 32.500 -0.132 0.000 1.189 516 K HN 0.694 nan 8.250 nan 0.000 0.428 517 I N 2.903 123.421 120.570 -0.086 0.000 2.436 517 I HA 0.314 4.485 4.170 0.002 0.000 0.289 517 I C -1.123 174.926 176.117 -0.113 0.000 1.010 517 I CA -0.892 60.453 61.300 0.073 0.000 1.098 517 I CB 1.081 39.128 38.000 0.078 0.000 1.266 517 I HN 0.488 nan 8.210 nan 0.000 0.434 518 Y N 5.142 125.505 120.300 0.105 0.000 2.330 518 Y HA 0.593 5.144 4.550 0.002 0.000 0.336 518 Y C 0.337 176.067 175.900 -0.283 0.000 1.036 518 Y CA -0.838 57.217 58.100 -0.075 0.000 1.125 518 Y CB 1.591 40.163 38.460 0.187 0.000 1.194 518 Y HN 0.641 nan 8.280 nan 0.000 0.469 519 C N 1.036 120.009 119.300 -0.545 0.000 2.994 519 C HA 0.852 5.313 4.460 0.002 0.000 0.305 519 C C -1.024 173.409 174.990 -0.928 0.000 1.251 519 C CA -0.794 57.806 59.018 -0.696 0.000 1.478 519 C CB 1.509 29.054 27.740 -0.325 0.000 1.922 519 C HN 0.990 nan 8.230 nan 0.000 0.472 520 E N 1.027 120.636 120.200 -0.986 0.000 2.343 520 E HA 0.618 4.969 4.350 0.002 0.000 0.278 520 E C -1.512 174.924 176.600 -0.273 0.000 0.910 520 E CA 0.054 56.104 56.400 -0.585 0.000 0.757 520 E CB 2.255 31.664 29.700 -0.484 0.000 1.218 520 E HN 0.943 nan 8.360 nan 0.000 0.435 521 S N 3.518 119.182 115.700 -0.059 0.000 2.532 521 S HA 0.398 4.869 4.470 0.002 0.000 0.299 521 S C -0.433 174.235 174.600 0.113 0.000 1.105 521 S CA -0.541 57.746 58.200 0.146 0.000 1.018 521 S CB 0.573 63.932 63.200 0.265 0.000 1.021 521 S HN 0.553 nan 8.310 nan 0.000 0.483 522 F N 3.455 123.493 119.950 0.147 0.000 2.811 522 F HA 0.329 4.857 4.527 0.002 0.000 0.301 522 F C 1.395 177.235 175.800 0.068 0.000 1.151 522 F CA 0.434 58.506 58.000 0.119 0.000 1.412 522 F CB 0.203 39.274 39.000 0.119 0.000 1.113 522 F HN 0.535 nan 8.300 nan 0.000 0.579 523 L N -1.365 119.955 121.223 0.161 0.000 2.463 523 L HA 0.406 4.747 4.340 0.002 0.000 0.219 523 L C 1.083 177.996 176.870 0.071 0.000 1.088 523 L CA 0.432 55.300 54.840 0.047 0.000 0.849 523 L CB -0.291 41.651 42.059 -0.194 0.000 1.012 523 L HN 0.168 nan 8.230 nan 0.000 0.468 524 G N -1.006 107.854 108.800 0.100 0.000 2.347 524 G HA2 0.065 4.026 3.960 0.002 0.000 0.341 524 G HA3 0.065 4.026 3.960 0.002 0.000 0.341 524 G C 0.178 175.128 174.900 0.083 0.000 1.287 524 G CA -0.049 45.098 45.100 0.078 0.000 0.984 524 G HN -0.081 nan 8.290 nan 0.000 0.526 525 E N -1.342 118.891 120.200 0.055 0.000 2.051 525 E HA 0.086 4.437 4.350 0.002 0.000 0.192 525 E C 2.600 179.218 176.600 0.030 0.000 0.991 525 E CA 2.898 59.318 56.400 0.033 0.000 0.799 525 E CB -1.334 28.380 29.700 0.024 0.000 0.748 525 E HN 1.873 nan 8.360 nan 0.000 0.449 526 E N 0.345 120.574 120.200 0.048 0.000 2.058 526 E HA -0.267 4.084 4.350 0.002 0.000 0.194 526 E C 2.018 178.654 176.600 0.060 0.000 0.997 526 E CA 1.547 57.974 56.400 0.045 0.000 0.801 526 E CB -1.031 28.700 29.700 0.052 0.000 0.746 526 E HN 0.837 nan 8.360 nan 0.000 0.450 527 H N -0.172 118.901 119.070 0.004 0.000 2.389 527 H HA -0.013 4.544 4.556 0.002 0.000 0.299 527 H C 2.509 177.832 175.328 -0.009 0.000 1.081 527 H CA 1.597 57.650 56.048 0.008 0.000 1.345 527 H CB 0.109 29.888 29.762 0.027 0.000 1.393 527 H HN 0.342 nan 8.280 nan 0.000 0.520 528 R N 1.100 121.583 120.500 -0.027 0.000 2.081 528 R HA -0.117 4.224 4.340 0.002 0.000 0.235 528 R C 2.275 178.488 176.300 -0.145 0.000 1.131 528 R CA 1.466 57.500 56.100 -0.110 0.000 0.960 528 R CB 0.043 30.305 30.300 -0.064 0.000 0.856 528 R HN 0.305 nan 8.270 nan 0.000 0.436 529 K N -0.091 120.250 120.400 -0.098 0.000 2.097 529 K HA -0.214 4.107 4.320 0.002 0.000 0.206 529 K C 2.166 178.696 176.600 -0.118 0.000 1.049 529 K CA 1.542 57.772 56.287 -0.095 0.000 0.933 529 K CB -0.085 32.380 32.500 -0.057 0.000 0.717 529 K HN 0.054 nan 8.250 nan 0.000 0.442 530 Q N 1.244 120.961 119.800 -0.138 0.000 2.079 530 Q HA -0.065 4.276 4.340 0.002 0.000 0.200 530 Q C 1.758 177.644 176.000 -0.190 0.000 0.974 530 Q CA 1.411 57.124 55.803 -0.151 0.000 0.840 530 Q CB -0.120 28.530 28.738 -0.146 0.000 0.898 530 Q HN 0.300 nan 8.270 nan 0.000 0.430 531 I N 0.265 120.678 120.570 -0.263 0.000 2.208 531 I HA -0.308 3.863 4.170 0.002 0.000 0.245 531 I C 2.120 178.113 176.117 -0.206 0.000 1.097 531 I CA 1.536 62.711 61.300 -0.208 0.000 1.363 531 I CB -0.334 37.548 38.000 -0.197 0.000 1.051 531 I HN 0.312 nan 8.210 nan 0.000 0.413 532 E N 0.817 120.899 120.200 -0.197 0.000 2.038 532 E HA -0.311 4.040 4.350 0.002 0.000 0.195 532 E C 2.189 178.675 176.600 -0.191 0.000 1.000 532 E CA 1.553 57.835 56.400 -0.196 0.000 0.803 532 E CB -0.161 29.446 29.700 -0.155 0.000 0.750 532 E HN 0.358 nan 8.360 nan 0.000 0.448 533 K N 1.043 121.354 120.400 -0.149 0.000 2.044 533 K HA -0.245 4.076 4.320 0.002 0.000 0.210 533 K C 1.896 178.410 176.600 -0.143 0.000 1.049 533 K CA 1.795 58.009 56.287 -0.121 0.000 0.927 533 K CB 0.018 32.465 32.500 -0.089 0.000 0.713 533 K HN 0.094 nan 8.250 nan 0.000 0.443 534 E N -0.312 119.793 120.200 -0.159 0.000 2.152 534 E HA -0.126 4.225 4.350 0.002 0.000 0.192 534 E C 1.932 178.365 176.600 -0.278 0.000 0.983 534 E CA 0.700 57.009 56.400 -0.152 0.000 0.818 534 E CB -0.023 29.624 29.700 -0.089 0.000 0.758 534 E HN 0.441 nan 8.360 nan 0.000 0.467 535 A N 0.998 123.515 122.820 -0.504 0.000 1.877 535 A HA -0.157 4.164 4.320 0.002 0.000 0.216 535 A C 2.493 179.755 177.584 -0.537 0.000 1.186 535 A CA 1.194 52.604 52.037 -1.045 0.000 0.620 535 A CB -0.716 17.539 19.000 -1.241 0.000 0.822 535 A HN 0.112 nan 8.150 nan 0.000 0.443 536 V N 0.121 119.863 119.914 -0.288 0.000 2.295 536 V HA -0.242 3.879 4.120 0.002 0.000 0.246 536 V C 3.129 179.155 176.094 -0.114 0.000 1.049 536 V CA 2.773 64.998 62.300 -0.125 0.000 1.024 536 V CB -1.432 30.355 31.823 -0.060 0.000 0.648 536 V HN 0.800 nan 8.190 nan 0.000 0.447 537 E N -0.012 120.118 120.200 -0.116 0.000 2.058 537 E HA -0.257 4.094 4.350 0.002 0.000 0.194 537 E C 1.965 178.525 176.600 -0.067 0.000 0.997 537 E CA 1.971 58.325 56.400 -0.076 0.000 0.801 537 E CB -0.678 28.985 29.700 -0.061 0.000 0.746 537 E HN 0.660 nan 8.360 nan 0.000 0.450 538 I N 0.247 120.768 120.570 -0.081 0.000 2.179 538 I HA -0.230 3.941 4.170 0.002 0.000 0.242 538 I C 2.647 178.759 176.117 -0.008 0.000 1.088 538 I CA 1.156 62.451 61.300 -0.009 0.000 1.357 538 I CB -0.193 37.856 38.000 0.082 0.000 1.051 538 I HN 0.216 nan 8.210 nan 0.000 0.409 539 V N 0.969 120.846 119.914 -0.062 0.000 2.287 539 V HA -0.293 3.828 4.120 0.002 0.000 0.248 539 V C 2.569 178.581 176.094 -0.138 0.000 1.053 539 V CA 2.414 64.655 62.300 -0.098 0.000 1.027 539 V CB -0.737 30.975 31.823 -0.184 0.000 0.646 539 V HN 0.589 nan 8.190 nan 0.000 0.447 540 S N 0.182 115.806 115.700 -0.127 0.000 2.447 540 S HA -0.130 4.341 4.470 0.002 0.000 0.233 540 S C 1.904 176.468 174.600 -0.060 0.000 1.006 540 S CA 1.449 59.590 58.200 -0.099 0.000 0.957 540 S CB -0.440 62.721 63.200 -0.064 0.000 0.773 540 S HN 0.764 nan 8.310 nan 0.000 0.507 541 E N 1.154 121.328 120.200 -0.043 0.000 2.166 541 E HA 0.227 4.578 4.350 0.002 0.000 0.192 541 E C 2.099 178.690 176.600 -0.016 0.000 0.967 541 E CA 0.927 57.313 56.400 -0.022 0.000 0.840 541 E CB -1.085 28.608 29.700 -0.011 0.000 0.795 541 E HN 0.425 nan 8.360 nan 0.000 0.470 542 V N 0.280 120.186 119.914 -0.013 0.000 2.427 542 V HA 0.051 4.172 4.120 0.002 0.000 0.248 542 V C 2.015 178.096 176.094 -0.020 0.000 1.051 542 V CA 1.785 64.083 62.300 -0.004 0.000 1.048 542 V CB -0.125 31.708 31.823 0.017 0.000 0.666 542 V HN 0.708 nan 8.190 nan 0.000 0.456 543 L N -0.326 120.869 121.223 -0.047 0.000 2.843 543 L HA 0.856 5.197 4.340 0.002 0.000 0.234 543 L C 1.221 178.060 176.870 -0.051 0.000 1.264 543 L CA 0.537 55.344 54.840 -0.055 0.000 1.052 543 L CB -0.793 41.211 42.059 -0.092 0.000 1.372 543 L HN 0.374 nan 8.230 nan 0.000 0.466 544 K N -0.642 119.739 120.400 -0.031 0.000 2.399 544 K HA 0.267 4.588 4.320 0.002 0.000 0.196 544 K C 1.002 177.594 176.600 -0.014 0.000 1.117 544 K CA 0.426 56.699 56.287 -0.023 0.000 0.965 544 K CB -0.087 32.402 32.500 -0.019 0.000 0.983 544 K HN 0.668 nan 8.250 nan 0.000 0.531 545 N N 0.000 118.693 118.700 -0.011 0.000 1.763 545 N HA 0.000 4.741 4.740 0.002 0.000 0.220 545 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 545 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 545 N HN 0.000 nan 8.380 nan 0.000 0.667