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 2vdr_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.865 176.870 -0.009 0.000 1.165 1 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 1 L CB 0.000 42.066 42.059 0.011 0.000 0.961 2 N N 0.443 119.142 118.700 -0.002 0.000 2.365 2 N HA 0.230 4.970 4.740 -0.000 0.000 0.257 2 N C -0.526 174.975 175.510 -0.015 0.000 1.287 2 N CA -0.229 52.809 53.050 -0.019 0.000 0.882 2 N CB 0.632 39.095 38.487 -0.039 0.000 1.250 2 N HN 0.290 nan 8.380 nan 0.000 0.507 3 L N 1.226 122.455 121.223 0.009 0.000 2.331 3 L HA 0.177 4.517 4.340 -0.000 0.000 0.278 3 L C 0.137 177.050 176.870 0.071 0.000 1.106 3 L CA -0.386 54.483 54.840 0.049 0.000 0.824 3 L CB 0.678 42.763 42.059 0.043 0.000 1.142 3 L HN 0.014 nan 8.230 nan 0.000 0.443 4 D N 5.276 125.735 120.400 0.099 0.000 2.325 4 D HA 0.152 4.792 4.640 -0.000 0.000 0.251 4 D C -1.633 174.773 176.300 0.177 0.000 1.196 4 D CA -1.576 52.479 54.000 0.091 0.000 0.866 4 D CB 1.211 42.040 40.800 0.049 0.000 1.101 4 D HN 0.207 nan 8.370 nan 0.000 0.476 5 P HA 0.012 nan 4.420 nan 0.000 0.257 5 P C 0.891 178.254 177.300 0.105 0.000 1.241 5 P CA 0.025 63.260 63.100 0.224 0.000 0.816 5 P CB 0.616 32.407 31.700 0.153 0.000 1.150 6 V N 0.102 120.047 119.914 0.050 0.000 2.374 6 V HA -0.030 4.090 4.120 -0.000 0.000 0.241 6 V C 1.402 177.486 176.094 -0.017 0.000 1.034 6 V CA 1.319 63.629 62.300 0.016 0.000 1.037 6 V CB -0.918 30.912 31.823 0.012 0.000 0.682 6 V HN 0.075 nan 8.190 nan 0.000 0.463 7 Q N 1.751 121.538 119.800 -0.022 0.000 3.027 7 Q HA 0.361 4.701 4.340 -0.000 0.000 0.260 7 Q C -0.554 175.376 176.000 -0.116 0.000 1.379 7 Q CA 0.156 55.931 55.803 -0.046 0.000 1.038 7 Q CB 0.145 28.876 28.738 -0.011 0.000 1.578 7 Q HN 0.506 nan 8.270 nan 0.000 0.571 8 L N 0.592 121.669 121.223 -0.243 0.000 2.399 8 L HA 0.429 4.769 4.340 -0.000 0.000 0.266 8 L C 0.487 177.029 176.870 -0.546 0.000 1.114 8 L CA -0.287 54.241 54.840 -0.521 0.000 0.804 8 L CB 0.809 42.347 42.059 -0.867 0.000 1.146 8 L HN 0.115 nan 8.230 nan 0.000 0.451 9 T N 1.505 115.738 114.554 -0.536 0.000 2.797 9 T HA 0.563 4.913 4.350 -0.000 0.000 0.279 9 T C -0.674 173.713 174.700 -0.521 0.000 0.991 9 T CA -0.254 61.602 62.100 -0.407 0.000 0.979 9 T CB 0.747 69.557 68.868 -0.097 0.000 0.943 9 T HN 0.138 nan 8.240 nan 0.000 0.444 10 F N 2.288 122.159 119.950 -0.131 0.000 2.444 10 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 10 F C -0.382 175.322 175.800 -0.161 0.000 1.121 10 F CA -1.046 56.951 58.000 -0.005 0.000 0.997 10 F CB 1.223 40.258 39.000 0.058 0.000 1.130 10 F HN 0.489 nan 8.300 nan 0.000 0.454 11 Y N 1.685 122.189 120.300 0.340 0.000 2.446 11 Y HA 0.742 5.292 4.550 -0.000 0.000 0.338 11 Y C 0.010 175.982 175.900 0.119 0.000 1.055 11 Y CA -1.035 57.203 58.100 0.229 0.000 1.101 11 Y CB 1.977 40.637 38.460 0.333 0.000 1.221 11 Y HN 0.642 nan 8.280 nan 0.000 0.460 12 A N 1.245 123.992 122.820 -0.123 0.000 2.449 12 A HA 0.849 5.168 4.320 -0.000 0.000 0.302 12 A C -0.300 176.550 177.584 -1.223 0.000 1.048 12 A CA -0.179 51.540 52.037 -0.530 0.000 0.708 12 A CB 1.107 19.961 19.000 -0.243 0.000 1.274 12 A HN 0.870 nan 8.150 nan 0.000 0.410 13 G N 0.309 108.164 108.800 -1.575 0.000 2.887 13 G HA2 0.756 4.716 3.960 -0.000 0.000 0.277 13 G HA3 0.756 4.716 3.960 -0.000 0.000 0.277 13 G C -2.987 171.620 174.900 -0.488 0.000 1.346 13 G CA -1.731 42.613 45.100 -1.260 0.000 1.058 13 G HN 0.536 nan 8.290 nan 0.000 0.535 14 P HA 0.171 nan 4.420 nan 0.000 0.274 14 P C -0.394 176.879 177.300 -0.044 0.000 1.231 14 P CA -0.719 62.322 63.100 -0.098 0.000 0.790 14 P CB 0.493 32.194 31.700 0.002 0.000 0.951 15 N N 1.003 119.685 118.700 -0.031 0.000 2.357 15 N HA 0.201 4.941 4.740 -0.000 0.000 0.257 15 N C 1.570 177.093 175.510 0.021 0.000 1.250 15 N CA 1.934 54.979 53.050 -0.008 0.000 0.862 15 N CB -0.449 38.032 38.487 -0.009 0.000 1.066 15 N HN 0.741 nan 8.380 nan 0.000 0.468 16 G N 0.717 109.539 108.800 0.036 0.000 2.184 16 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 16 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 16 G C 1.037 175.981 174.900 0.074 0.000 0.975 16 G CA 0.980 46.111 45.100 0.051 0.000 0.642 16 G HN 0.732 nan 8.290 nan 0.000 0.536 17 S N -0.545 115.214 115.700 0.099 0.000 2.461 17 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 17 S C 1.320 176.020 174.600 0.166 0.000 1.005 17 S CA 1.372 59.657 58.200 0.142 0.000 0.942 17 S CB -0.203 63.113 63.200 0.194 0.000 0.776 17 S HN 1.173 nan 8.310 nan 0.000 0.514 18 Q N -0.529 119.390 119.800 0.197 0.000 2.494 18 Q HA -0.190 4.150 4.340 -0.000 0.000 0.266 18 Q C -0.506 175.687 176.000 0.322 0.000 1.053 18 Q CA 0.518 56.484 55.803 0.272 0.000 1.029 18 Q CB -2.498 26.321 28.738 0.134 0.000 1.423 18 Q HN 0.727 nan 8.270 nan 0.000 0.516 19 F N 0.904 120.936 119.950 0.138 0.000 2.569 19 F HA 0.206 4.733 4.527 -0.000 0.000 0.395 19 F C 1.442 177.330 175.800 0.146 0.000 1.028 19 F CA 2.196 60.263 58.000 0.110 0.000 1.158 19 F CB 0.295 39.278 39.000 -0.029 0.000 1.023 19 F HN 0.310 nan 8.300 nan 0.000 0.547 20 G N 4.886 113.617 108.800 -0.115 0.000 2.184 20 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.206 20 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.206 20 G C 0.721 175.734 174.900 0.188 0.000 0.995 20 G CA 0.086 45.186 45.100 0.001 0.000 0.651 20 G HN 0.713 nan 8.290 nan 0.000 0.511 21 F N 2.654 122.667 119.950 0.105 0.000 2.161 21 F HA 0.196 4.722 4.527 -0.000 0.000 0.300 21 F C 1.579 177.462 175.800 0.140 0.000 1.089 21 F CA 2.367 60.446 58.000 0.132 0.000 1.282 21 F CB 0.181 39.146 39.000 -0.059 0.000 1.010 21 F HN 0.556 nan 8.300 nan 0.000 0.485 22 S N -0.175 115.640 115.700 0.192 0.000 2.564 22 S HA 0.722 5.192 4.470 -0.000 0.000 0.274 22 S C -1.244 173.334 174.600 -0.037 0.000 1.124 22 S CA -0.612 57.616 58.200 0.047 0.000 0.869 22 S CB 2.413 65.664 63.200 0.083 0.000 1.105 22 S HN 0.261 nan 8.310 nan 0.000 0.472 23 L N -1.237 119.938 121.223 -0.080 0.000 2.671 23 L HA 0.997 5.337 4.340 -0.000 0.000 0.259 23 L C -1.413 175.374 176.870 -0.138 0.000 1.021 23 L CA -0.551 54.212 54.840 -0.130 0.000 0.871 23 L CB 0.883 42.836 42.059 -0.177 0.000 1.472 23 L HN 0.811 nan 8.230 nan 0.000 0.410 24 D N -0.707 119.592 120.400 -0.168 0.000 2.653 24 D HA 0.583 5.223 4.640 -0.000 0.000 0.258 24 D C -1.670 174.517 176.300 -0.188 0.000 1.252 24 D CA -0.263 53.651 54.000 -0.144 0.000 0.777 24 D CB 1.617 42.425 40.800 0.013 0.000 1.339 24 D HN 0.379 nan 8.370 nan 0.000 0.422 25 F N 1.114 121.097 119.950 0.055 0.000 2.384 25 F HA 0.384 4.911 4.527 -0.000 0.000 0.338 25 F C 0.494 176.362 175.800 0.114 0.000 1.103 25 F CA -0.204 57.833 58.000 0.061 0.000 1.157 25 F CB 0.916 39.929 39.000 0.022 0.000 1.167 25 F HN 0.221 nan 8.300 nan 0.000 0.529 26 H N 2.477 121.666 119.070 0.198 0.000 2.658 26 H HA 0.353 4.909 4.556 -0.000 0.000 0.337 26 H C -1.132 174.254 175.328 0.097 0.000 1.009 26 H CA -0.965 55.155 56.048 0.120 0.000 1.231 26 H CB 1.223 31.038 29.762 0.089 0.000 1.508 26 H HN 0.578 nan 8.280 nan 0.000 0.517 27 K N 4.354 124.470 120.400 -0.473 0.000 2.265 27 K HA 0.199 4.519 4.320 -0.000 0.000 0.267 27 K C -0.649 175.643 176.600 -0.512 0.000 0.994 27 K CA -0.909 55.168 56.287 -0.350 0.000 0.860 27 K CB 0.611 32.986 32.500 -0.210 0.000 1.099 27 K HN 0.818 nan 8.250 nan 0.000 0.448 28 D N 2.157 122.397 120.400 -0.267 0.000 2.414 28 D HA -0.059 4.581 4.640 -0.000 0.000 0.251 28 D C 0.949 177.193 176.300 -0.093 0.000 1.252 28 D CA -0.240 53.688 54.000 -0.121 0.000 0.999 28 D CB 0.753 41.596 40.800 0.072 0.000 1.093 28 D HN 0.426 nan 8.370 nan 0.000 0.515 29 S N -0.966 114.694 115.700 -0.067 0.000 2.419 29 S HA -0.234 4.236 4.470 -0.000 0.000 0.233 29 S C 1.481 175.965 174.600 -0.192 0.000 1.016 29 S CA 1.028 59.134 58.200 -0.156 0.000 0.974 29 S CB -0.922 62.157 63.200 -0.200 0.000 0.786 29 S HN 0.595 nan 8.310 nan 0.000 0.492 30 H N 1.329 120.371 119.070 -0.047 0.000 2.547 30 H HA 0.340 4.896 4.556 -0.000 0.000 0.272 30 H C 1.855 177.158 175.328 -0.041 0.000 0.989 30 H CA 0.606 56.634 56.048 -0.033 0.000 1.214 30 H CB -0.237 29.517 29.762 -0.013 0.000 1.389 30 H HN 0.607 nan 8.280 nan 0.000 0.577 31 G N 0.315 109.133 108.800 0.030 0.000 2.176 31 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.232 31 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.232 31 G C 0.438 175.335 174.900 -0.005 0.000 0.986 31 G CA -0.036 45.053 45.100 -0.018 0.000 0.643 31 G HN 0.370 nan 8.290 nan 0.000 0.522 32 R N 0.808 121.330 120.500 0.038 0.000 2.401 32 R HA 0.512 4.852 4.340 -0.000 0.000 0.299 32 R C 0.343 176.669 176.300 0.043 0.000 1.064 32 R CA -0.016 56.116 56.100 0.053 0.000 1.000 32 R CB 0.663 31.009 30.300 0.078 0.000 0.973 32 R HN 0.169 nan 8.270 nan 0.000 0.438 33 V N 4.940 124.887 119.914 0.055 0.000 2.432 33 V HA 0.603 4.723 4.120 -0.000 0.000 0.275 33 V C 0.415 176.617 176.094 0.180 0.000 1.043 33 V CA 0.053 62.399 62.300 0.077 0.000 0.925 33 V CB 0.850 32.683 31.823 0.016 0.000 0.985 33 V HN 0.978 nan 8.190 nan 0.000 0.466 34 A N 5.770 128.715 122.820 0.209 0.000 2.389 34 A HA 0.947 5.267 4.320 -0.000 0.000 0.293 34 A C -0.842 176.870 177.584 0.213 0.000 1.186 34 A CA -0.774 51.400 52.037 0.229 0.000 0.828 34 A CB 1.248 20.376 19.000 0.213 0.000 1.369 34 A HN 0.685 nan 8.150 nan 0.000 0.446 35 I N 0.394 121.023 120.570 0.098 0.000 2.418 35 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 35 I C -0.551 175.545 176.117 -0.034 0.000 1.008 35 I CA -0.789 60.500 61.300 -0.019 0.000 1.104 35 I CB 1.818 39.729 38.000 -0.148 0.000 1.264 35 I HN 0.350 nan 8.210 nan 0.000 0.438 36 V N 8.282 128.181 119.914 -0.024 0.000 2.465 36 V HA 0.490 4.610 4.120 -0.000 0.000 0.279 36 V C -0.420 175.625 176.094 -0.082 0.000 1.045 36 V CA -0.093 62.193 62.300 -0.024 0.000 0.938 36 V CB 1.611 33.431 31.823 -0.004 0.000 0.986 36 V HN 0.461 nan 8.190 nan 0.000 0.467 37 V N 6.469 126.337 119.914 -0.077 0.000 2.487 37 V HA 0.666 4.786 4.120 -0.000 0.000 0.298 37 V C 0.666 176.711 176.094 -0.082 0.000 1.028 37 V CA -0.181 61.994 62.300 -0.209 0.000 0.860 37 V CB 1.514 32.971 31.823 -0.609 0.000 0.991 37 V HN 1.005 nan 8.190 nan 0.000 0.427 38 G N 2.714 111.473 108.800 -0.069 0.000 2.420 38 G HA2 0.611 4.571 3.960 -0.000 0.000 0.284 38 G HA3 0.611 4.571 3.960 -0.000 0.000 0.284 38 G C -0.161 174.775 174.900 0.059 0.000 1.177 38 G CA -0.005 45.105 45.100 0.016 0.000 0.841 38 G HN 1.264 nan 8.290 nan 0.000 0.527 39 A N 3.686 126.584 122.820 0.130 0.000 3.127 39 A HA 0.632 4.952 4.320 -0.000 0.000 0.319 39 A C -1.650 175.990 177.584 0.094 0.000 1.104 39 A CA -0.957 51.202 52.037 0.203 0.000 0.802 39 A CB 1.510 20.802 19.000 0.487 0.000 1.193 39 A HN 0.427 nan 8.150 nan 0.000 0.479 40 P HA -0.095 nan 4.420 nan 0.000 0.230 40 P C 0.686 177.956 177.300 -0.051 0.000 1.158 40 P CA 0.882 63.920 63.100 -0.103 0.000 0.769 40 P CB 0.199 31.719 31.700 -0.301 0.000 0.807 41 R N -0.956 119.533 120.500 -0.018 0.000 2.509 41 R HA 0.191 4.531 4.340 -0.000 0.000 0.300 41 R C 0.165 176.496 176.300 0.050 0.000 0.985 41 R CA -0.017 56.084 56.100 0.002 0.000 1.092 41 R CB 0.027 30.316 30.300 -0.017 0.000 1.237 41 R HN 0.079 nan 8.270 nan 0.000 0.546 42 T N 2.448 117.057 114.554 0.092 0.000 2.908 42 T HA 0.060 4.409 4.350 -0.000 0.000 0.301 42 T C 0.672 175.417 174.700 0.076 0.000 1.019 42 T CA 0.287 62.464 62.100 0.128 0.000 1.152 42 T CB 0.752 69.738 68.868 0.197 0.000 0.966 42 T HN 0.100 nan 8.240 nan 0.000 0.540 43 L N 3.049 124.316 121.223 0.073 0.000 2.410 43 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 43 L C 1.494 178.391 176.870 0.045 0.000 1.152 43 L CA -0.493 54.377 54.840 0.050 0.000 0.855 43 L CB 0.093 42.179 42.059 0.045 0.000 1.129 43 L HN 0.787 nan 8.230 nan 0.000 0.463 44 G N 3.006 111.825 108.800 0.032 0.000 2.611 44 G HA2 0.191 4.151 3.960 -0.000 0.000 0.273 44 G HA3 0.191 4.151 3.960 -0.000 0.000 0.273 44 G C -1.520 173.396 174.900 0.027 0.000 1.305 44 G CA -0.679 44.435 45.100 0.024 0.000 1.010 44 G HN 0.595 nan 8.290 nan 0.000 0.509 45 P HA 0.078 nan 4.420 nan 0.000 0.242 45 P C 0.775 178.088 177.300 0.022 0.000 1.197 45 P CA 0.594 63.707 63.100 0.022 0.000 0.765 45 P CB 0.589 32.300 31.700 0.018 0.000 0.936 46 S N -0.668 115.047 115.700 0.024 0.000 2.602 46 S HA 0.154 4.624 4.470 -0.000 0.000 0.240 46 S C 0.503 175.117 174.600 0.022 0.000 0.992 46 S CA -0.292 57.922 58.200 0.023 0.000 0.971 46 S CB -0.154 63.061 63.200 0.025 0.000 0.855 46 S HN 0.094 nan 8.310 nan 0.000 0.481 47 Q N 0.539 120.353 119.800 0.023 0.000 2.489 47 Q HA -0.209 4.131 4.340 -0.000 0.000 0.259 47 Q C -0.203 175.810 176.000 0.021 0.000 0.934 47 Q CA 0.926 56.742 55.803 0.022 0.000 1.131 47 Q CB -0.953 27.796 28.738 0.018 0.000 1.472 47 Q HN 0.645 nan 8.270 nan 0.000 0.560 48 E N 0.442 120.657 120.200 0.025 0.000 2.179 48 E HA 0.255 4.604 4.350 -0.000 0.000 0.275 48 E C -0.792 175.825 176.600 0.027 0.000 0.945 48 E CA -0.485 55.930 56.400 0.025 0.000 0.792 48 E CB 0.994 30.713 29.700 0.031 0.000 1.125 48 E HN 0.128 nan 8.360 nan 0.000 0.397 49 E N 1.586 121.800 120.200 0.022 0.000 2.417 49 E HA -0.013 4.337 4.350 -0.000 0.000 0.261 49 E C 0.302 176.921 176.600 0.032 0.000 1.000 49 E CA 0.595 57.009 56.400 0.023 0.000 0.919 49 E CB 0.747 30.452 29.700 0.009 0.000 0.955 49 E HN 0.630 nan 8.360 nan 0.000 0.455 50 T N -0.099 114.472 114.554 0.028 0.000 2.992 50 T HA 0.366 4.715 4.350 -0.000 0.000 0.255 50 T C 0.791 175.490 174.700 -0.002 0.000 0.938 50 T CA 0.042 62.158 62.100 0.026 0.000 0.895 50 T CB 0.689 69.564 68.868 0.013 0.000 1.221 50 T HN 0.724 nan 8.240 nan 0.000 0.512 51 G N -0.285 108.515 108.800 -0.001 0.000 2.756 51 G HA2 0.424 4.384 3.960 -0.000 0.000 0.678 51 G HA3 0.424 4.384 3.960 -0.000 0.000 0.678 51 G C -0.171 174.700 174.900 -0.047 0.000 1.349 51 G CA -0.483 44.607 45.100 -0.018 0.000 0.847 51 G HN 1.579 nan 8.290 nan 0.000 0.548 52 G N -2.291 106.481 108.800 -0.046 0.000 2.506 52 G HA2 0.778 4.738 3.960 -0.000 0.000 0.292 52 G HA3 0.778 4.738 3.960 -0.000 0.000 0.292 52 G C -1.485 173.334 174.900 -0.135 0.000 1.425 52 G CA 0.416 45.438 45.100 -0.128 0.000 0.788 52 G HN 1.760 nan 8.290 nan 0.000 0.490 53 V N 0.038 119.784 119.914 -0.280 0.000 2.709 53 V HA 0.738 4.858 4.120 -0.000 0.000 0.308 53 V C -1.167 174.682 176.094 -0.407 0.000 1.062 53 V CA -0.639 61.568 62.300 -0.155 0.000 0.901 53 V CB 1.554 33.417 31.823 0.067 0.000 1.003 53 V HN 0.615 nan 8.190 nan 0.000 0.425 54 F N 3.919 123.907 119.950 0.063 0.000 2.546 54 F HA 0.737 5.264 4.527 -0.000 0.000 0.320 54 F C -0.410 175.410 175.800 0.033 0.000 1.076 54 F CA -0.861 57.196 58.000 0.094 0.000 0.928 54 F CB 2.029 41.185 39.000 0.260 0.000 1.189 54 F HN 0.302 nan 8.300 nan 0.000 0.465 55 L N 3.513 124.852 121.223 0.194 0.000 2.353 55 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 55 L C -1.249 175.686 176.870 0.108 0.000 1.003 55 L CA -0.493 54.405 54.840 0.098 0.000 0.862 55 L CB 0.530 42.611 42.059 0.036 0.000 1.221 55 L HN 0.685 nan 8.230 nan 0.000 0.430 56 c N 6.941 125.567 118.600 0.042 0.000 2.303 56 c HA 0.503 5.073 4.570 -0.000 0.000 0.341 56 c C -2.019 172.088 174.090 0.029 0.000 1.244 56 c CA -1.160 55.144 56.329 -0.042 0.000 1.765 56 c CB 0.168 42.402 42.510 -0.460 0.000 2.379 56 c HN 0.602 nan 8.230 nan 0.000 0.530 57 P HA -0.015 nan 4.420 nan 0.000 0.275 57 P C -0.145 177.323 177.300 0.281 0.000 1.228 57 P CA -0.257 62.952 63.100 0.182 0.000 0.786 57 P CB 0.661 32.446 31.700 0.143 0.000 0.927 58 W N 5.835 127.228 121.300 0.155 0.000 2.322 58 W HA 0.113 4.773 4.660 -0.000 0.000 0.328 58 W C -0.903 175.739 176.519 0.205 0.000 1.395 58 W CA -0.092 57.382 57.345 0.214 0.000 1.267 58 W CB 0.345 29.902 29.460 0.161 0.000 1.259 58 W HN 0.419 nan 8.180 nan 0.000 0.560 59 R N 4.524 124.567 120.500 -0.762 0.000 2.584 59 R HA 0.336 4.676 4.340 -0.000 0.000 0.276 59 R C 0.691 176.182 176.300 -1.348 0.000 1.046 59 R CA -0.228 55.294 56.100 -0.963 0.000 0.906 59 R CB 1.714 31.791 30.300 -0.372 0.000 1.215 59 R HN 0.549 nan 8.270 nan 0.000 0.449 60 A N 2.265 124.431 122.820 -1.090 0.000 1.908 60 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 60 A C 1.692 179.033 177.584 -0.406 0.000 1.181 60 A CA 1.813 53.473 52.037 -0.629 0.000 0.627 60 A CB -0.296 18.558 19.000 -0.242 0.000 0.818 60 A HN 0.842 nan 8.150 nan 0.000 0.445 61 E N -0.111 119.878 120.200 -0.351 0.000 2.427 61 E HA 0.235 4.585 4.350 -0.000 0.000 0.196 61 E C 1.215 177.631 176.600 -0.307 0.000 1.028 61 E CA 0.911 57.163 56.400 -0.248 0.000 0.864 61 E CB -0.942 28.653 29.700 -0.174 0.000 0.813 61 E HN 0.925 nan 8.360 nan 0.000 0.514 62 G N 0.812 109.316 108.800 -0.493 0.000 2.552 62 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.265 62 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.265 62 G C 0.597 175.237 174.900 -0.434 0.000 1.234 62 G CA 0.805 45.407 45.100 -0.830 0.000 0.944 62 G HN 1.255 nan 8.290 nan 0.000 0.568 63 G N -2.751 105.850 108.800 -0.333 0.000 2.301 63 G HA2 0.408 4.368 3.960 -0.000 0.000 0.194 63 G HA3 0.408 4.368 3.960 -0.000 0.000 0.194 63 G C -0.494 174.431 174.900 0.042 0.000 1.266 63 G CA 0.579 45.628 45.100 -0.085 0.000 1.210 63 G HN 1.376 nan 8.290 nan 0.000 0.524 64 Q N -0.346 119.476 119.800 0.037 0.000 2.227 64 Q HA 0.602 4.942 4.340 -0.000 0.000 0.245 64 Q C -0.344 175.729 176.000 0.121 0.000 0.926 64 Q CA -0.125 55.687 55.803 0.016 0.000 0.895 64 Q CB 1.687 30.410 28.738 -0.024 0.000 1.230 64 Q HN 0.739 nan 8.270 nan 0.000 0.450 65 c N 2.406 121.075 118.600 0.115 0.000 2.493 65 c HA 0.594 5.164 4.570 -0.000 0.000 0.326 65 c C -2.055 172.209 174.090 0.289 0.000 1.200 65 c CA -1.376 55.085 56.329 0.220 0.000 1.739 65 c CB 1.348 44.033 42.510 0.292 0.000 2.300 65 c HN 0.674 nan 8.230 nan 0.000 0.500 66 P HA 0.139 nan 4.420 nan 0.000 0.271 66 P C -0.516 176.934 177.300 0.251 0.000 1.216 66 P CA 0.303 63.529 63.100 0.210 0.000 0.776 66 P CB 0.701 32.467 31.700 0.110 0.000 0.881 67 S N 2.229 118.006 115.700 0.129 0.000 2.474 67 S HA 0.202 4.672 4.470 -0.000 0.000 0.276 67 S C -0.000 174.470 174.600 -0.216 0.000 1.227 67 S CA -0.677 57.391 58.200 -0.220 0.000 1.050 67 S CB -0.522 62.512 63.200 -0.277 0.000 0.939 67 S HN 0.370 nan 8.310 nan 0.000 0.490 68 L N 7.563 128.622 121.223 -0.272 0.000 2.456 68 L HA 0.344 4.684 4.340 -0.000 0.000 0.277 68 L C -0.387 176.199 176.870 -0.474 0.000 1.124 68 L CA 0.302 54.956 54.840 -0.311 0.000 0.880 68 L CB -0.084 41.822 42.059 -0.256 0.000 1.192 68 L HN 0.626 nan 8.230 nan 0.000 0.463 69 L N 5.778 126.735 121.223 -0.443 0.000 2.410 69 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 69 L C -0.526 175.965 176.870 -0.633 0.000 1.152 69 L CA 0.334 54.945 54.840 -0.381 0.000 0.855 69 L CB 0.178 42.109 42.059 -0.214 0.000 1.129 69 L HN 0.496 nan 8.230 nan 0.000 0.463 70 F N 0.520 120.394 119.950 -0.126 0.000 2.593 70 F HA 0.264 4.791 4.527 -0.000 0.000 0.320 70 F C 0.315 176.087 175.800 -0.048 0.000 1.060 70 F CA -1.107 56.833 58.000 -0.099 0.000 0.940 70 F CB 1.174 39.985 39.000 -0.314 0.000 1.268 70 F HN 0.329 nan 8.300 nan 0.000 0.475 71 D N 1.820 122.390 120.400 0.283 0.000 2.358 71 D HA 0.193 4.833 4.640 -0.000 0.000 0.258 71 D C 0.227 176.645 176.300 0.196 0.000 1.223 71 D CA 0.449 54.573 54.000 0.206 0.000 0.886 71 D CB 0.691 41.628 40.800 0.228 0.000 1.120 71 D HN 0.501 nan 8.370 nan 0.000 0.482 72 L N 3.434 124.724 121.223 0.111 0.000 2.769 72 L HA 0.252 4.592 4.340 -0.000 0.000 0.240 72 L C 0.950 177.875 176.870 0.091 0.000 1.163 72 L CA -0.247 54.645 54.840 0.087 0.000 0.962 72 L CB 0.110 42.191 42.059 0.037 0.000 1.258 72 L HN 0.066 nan 8.230 nan 0.000 0.513 73 R N 0.762 121.317 120.500 0.092 0.000 2.340 73 R HA 0.179 4.519 4.340 -0.000 0.000 0.300 73 R C -0.515 175.823 176.300 0.064 0.000 1.069 73 R CA -0.694 55.446 56.100 0.066 0.000 0.984 73 R CB 0.781 31.113 30.300 0.053 0.000 1.003 73 R HN -0.041 nan 8.270 nan 0.000 0.459 74 D N 2.426 122.843 120.400 0.028 0.000 2.400 74 D HA 0.025 4.665 4.640 -0.000 0.000 0.238 74 D C -0.128 176.143 176.300 -0.048 0.000 1.157 74 D CA 0.531 54.511 54.000 -0.033 0.000 0.889 74 D CB 0.731 41.463 40.800 -0.113 0.000 1.199 74 D HN 0.366 nan 8.370 nan 0.000 0.436 75 E N -0.226 119.928 120.200 -0.075 0.000 2.256 75 E HA 0.595 4.944 4.350 -0.000 0.000 0.267 75 E C -0.778 175.755 176.600 -0.112 0.000 0.892 75 E CA -0.782 55.589 56.400 -0.049 0.000 0.775 75 E CB 2.001 31.713 29.700 0.021 0.000 1.207 75 E HN 0.138 nan 8.360 nan 0.000 0.420 76 T N 1.722 116.227 114.554 -0.083 0.000 2.916 76 T HA 0.511 4.861 4.350 -0.000 0.000 0.298 76 T C -1.121 173.549 174.700 -0.050 0.000 1.031 76 T CA -0.759 61.282 62.100 -0.098 0.000 0.993 76 T CB 1.272 70.082 68.868 -0.097 0.000 1.045 76 T HN 0.289 nan 8.240 nan 0.000 0.454 77 R N 2.667 123.140 120.500 -0.046 0.000 2.515 77 R HA 0.339 4.679 4.340 -0.000 0.000 0.291 77 R C -1.332 174.954 176.300 -0.023 0.000 1.046 77 R CA -0.667 55.422 56.100 -0.017 0.000 0.914 77 R CB 0.739 31.049 30.300 0.017 0.000 1.191 77 R HN 0.517 nan 8.270 nan 0.000 0.435 78 N N 3.515 122.205 118.700 -0.017 0.000 2.462 78 N HA 0.255 4.995 4.740 -0.000 0.000 0.242 78 N C -1.225 174.283 175.510 -0.003 0.000 1.010 78 N CA -0.105 52.937 53.050 -0.014 0.000 0.939 78 N CB 1.918 40.397 38.487 -0.014 0.000 1.127 78 N HN 0.285 nan 8.380 nan 0.000 0.509 79 V N 0.250 120.165 119.914 0.003 0.000 2.969 79 V HA 0.585 4.705 4.120 -0.000 0.000 0.304 79 V C 0.546 176.649 176.094 0.015 0.000 1.192 79 V CA -0.101 62.206 62.300 0.011 0.000 0.962 79 V CB 1.581 33.417 31.823 0.021 0.000 1.045 79 V HN 0.821 nan 8.190 nan 0.000 0.428 80 G N 4.215 113.024 108.800 0.015 0.000 2.249 80 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.273 80 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.273 80 G C 0.635 175.542 174.900 0.012 0.000 1.036 80 G CA 1.022 46.132 45.100 0.016 0.000 0.824 80 G HN 2.107 nan 8.290 nan 0.000 0.504 81 S N -2.170 113.534 115.700 0.007 0.000 3.445 81 S HA -0.222 4.247 4.470 -0.000 0.000 0.319 81 S C 0.656 175.257 174.600 0.002 0.000 1.209 81 S CA 2.219 60.421 58.200 0.004 0.000 0.934 81 S CB -1.000 62.203 63.200 0.005 0.000 0.999 81 S HN 1.146 nan 8.310 nan 0.000 0.582 82 Q N -0.499 119.301 119.800 0.000 0.000 2.496 82 Q HA 0.639 4.979 4.340 -0.000 0.000 0.286 82 Q C -0.699 175.288 176.000 -0.022 0.000 1.103 82 Q CA -0.807 54.992 55.803 -0.008 0.000 0.813 82 Q CB 1.764 30.502 28.738 0.001 0.000 1.444 82 Q HN 0.184 nan 8.270 nan 0.000 0.443 83 T N 1.626 116.153 114.554 -0.045 0.000 2.833 83 T HA 0.455 4.805 4.350 -0.000 0.000 0.297 83 T C -0.536 174.078 174.700 -0.143 0.000 1.015 83 T CA -0.519 61.538 62.100 -0.070 0.000 0.963 83 T CB 0.223 69.056 68.868 -0.058 0.000 0.955 83 T HN 0.256 nan 8.240 nan 0.000 0.449 84 L N 3.491 124.616 121.223 -0.164 0.000 2.334 84 L HA 0.582 4.922 4.340 -0.000 0.000 0.277 84 L C 0.248 176.895 176.870 -0.372 0.000 1.075 84 L CA -0.749 53.882 54.840 -0.348 0.000 0.804 84 L CB 0.851 42.833 42.059 -0.128 0.000 1.174 84 L HN 0.483 nan 8.230 nan 0.000 0.438 85 Q N 1.616 121.046 119.800 -0.616 0.000 2.271 85 Q HA 0.392 4.732 4.340 -0.000 0.000 0.268 85 Q C -0.892 174.874 176.000 -0.390 0.000 1.021 85 Q CA -0.700 54.821 55.803 -0.471 0.000 0.802 85 Q CB 2.801 31.306 28.738 -0.388 0.000 1.282 85 Q HN 0.732 nan 8.270 nan 0.000 0.431 86 T N -1.116 113.276 114.554 -0.270 0.000 2.859 86 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 86 T C -0.604 173.886 174.700 -0.351 0.000 1.005 86 T CA -0.481 61.612 62.100 -0.012 0.000 1.025 86 T CB 0.565 69.529 68.868 0.160 0.000 0.977 86 T HN 0.321 nan 8.240 nan 0.000 0.458 87 F N 1.252 121.315 119.950 0.188 0.000 2.499 87 F HA 0.479 5.006 4.527 -0.000 0.000 0.333 87 F C 1.143 177.048 175.800 0.175 0.000 1.138 87 F CA -0.969 57.120 58.000 0.149 0.000 0.945 87 F CB 2.259 41.335 39.000 0.126 0.000 1.181 87 F HN 0.583 nan 8.300 nan 0.000 0.435 88 K N 1.787 122.350 120.400 0.271 0.000 2.353 88 K HA 0.352 4.672 4.320 -0.000 0.000 0.195 88 K C 0.673 177.383 176.600 0.183 0.000 1.031 88 K CA -0.094 56.328 56.287 0.225 0.000 1.079 88 K CB 0.622 33.232 32.500 0.183 0.000 0.857 88 K HN 0.589 nan 8.250 nan 0.000 0.535 89 A N 2.118 125.042 122.820 0.174 0.000 2.520 89 A HA 0.073 4.393 4.320 -0.000 0.000 0.245 89 A C 0.262 177.912 177.584 0.110 0.000 1.072 89 A CA 0.030 52.135 52.037 0.114 0.000 0.761 89 A CB 0.040 19.092 19.000 0.087 0.000 1.004 89 A HN 0.390 nan 8.150 nan 0.000 0.499 90 R N 0.642 121.191 120.500 0.083 0.000 3.875 90 R HA -0.249 4.091 4.340 -0.000 0.000 0.321 90 R C 1.062 177.476 176.300 0.190 0.000 1.196 90 R CA 1.525 57.672 56.100 0.079 0.000 0.868 90 R CB -2.552 27.759 30.300 0.018 0.000 1.333 90 R HN 1.102 nan 8.270 nan 0.000 0.522 91 Q N 0.240 120.170 119.800 0.216 0.000 2.364 91 Q HA 0.023 4.363 4.340 -0.000 0.000 0.207 91 Q C 1.108 177.286 176.000 0.297 0.000 0.970 91 Q CA 1.221 57.194 55.803 0.283 0.000 0.888 91 Q CB 0.110 28.976 28.738 0.215 0.000 0.951 91 Q HN 0.460 nan 8.270 nan 0.000 0.469 92 G N 1.829 110.775 108.800 0.244 0.000 2.272 92 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 92 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 92 G C -0.281 174.602 174.900 -0.028 0.000 1.067 92 G CA 0.139 45.363 45.100 0.207 0.000 0.902 92 G HN 0.442 nan 8.290 nan 0.000 0.500 93 L N 0.045 121.225 121.223 -0.073 0.000 2.559 93 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 93 L C 1.494 178.267 176.870 -0.161 0.000 1.205 93 L CA 1.834 56.560 54.840 -0.190 0.000 0.907 93 L CB 0.377 42.233 42.059 -0.339 0.000 1.153 93 L HN 1.689 nan 8.230 nan 0.000 0.490 94 G N 2.907 111.608 108.800 -0.166 0.000 2.159 94 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.227 94 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.227 94 G C 0.878 175.738 174.900 -0.067 0.000 0.986 94 G CA 0.324 45.367 45.100 -0.095 0.000 0.651 94 G HN 1.305 nan 8.290 nan 0.000 0.523 95 A N -0.392 122.332 122.820 -0.159 0.000 2.019 95 A HA 0.479 4.799 4.320 -0.000 0.000 0.219 95 A C 1.629 179.222 177.584 0.016 0.000 1.164 95 A CA 2.300 54.236 52.037 -0.167 0.000 0.644 95 A CB -0.229 18.500 19.000 -0.452 0.000 0.805 95 A HN 2.106 nan 8.150 nan 0.000 0.449 96 S N -1.519 114.128 115.700 -0.089 0.000 2.546 96 S HA 0.635 5.105 4.470 -0.000 0.000 0.274 96 S C -0.862 173.703 174.600 -0.058 0.000 1.121 96 S CA -0.098 58.063 58.200 -0.064 0.000 0.887 96 S CB 1.647 64.776 63.200 -0.119 0.000 1.094 96 S HN 1.285 nan 8.310 nan 0.000 0.474 97 V N -0.752 119.141 119.914 -0.034 0.000 2.888 97 V HA 0.991 5.111 4.120 -0.000 0.000 0.309 97 V C -0.800 175.294 176.094 -0.000 0.000 1.114 97 V CA -0.741 61.547 62.300 -0.019 0.000 0.940 97 V CB 1.050 32.865 31.823 -0.014 0.000 1.021 97 V HN 1.223 nan 8.190 nan 0.000 0.426 98 V N 2.490 122.423 119.914 0.031 0.000 2.932 98 V HA 0.821 4.941 4.120 -0.000 0.000 0.307 98 V C -0.488 175.686 176.094 0.132 0.000 1.147 98 V CA 0.322 62.664 62.300 0.069 0.000 0.951 98 V CB 2.500 34.356 31.823 0.054 0.000 1.031 98 V HN 1.431 nan 8.190 nan 0.000 0.426 99 S N 5.375 121.186 115.700 0.185 0.000 2.501 99 S HA 0.782 5.252 4.470 -0.000 0.000 0.301 99 S C -1.620 173.181 174.600 0.335 0.000 1.096 99 S CA -0.431 57.936 58.200 0.278 0.000 1.063 99 S CB 1.207 64.615 63.200 0.347 0.000 1.042 99 S HN 0.954 nan 8.310 nan 0.000 0.494 100 W N 4.416 125.805 121.300 0.149 0.000 3.042 100 W HA 0.519 5.179 4.660 -0.000 0.000 0.337 100 W C 0.287 176.865 176.519 0.097 0.000 1.086 100 W CA 0.408 57.812 57.345 0.099 0.000 1.236 100 W CB 1.098 30.602 29.460 0.073 0.000 1.381 100 W HN 0.942 nan 8.180 nan 0.000 0.472 101 S N 2.766 117.940 115.700 -0.878 0.000 4.112 101 S HA -0.381 4.089 4.470 -0.000 0.000 0.602 101 S C 0.665 175.069 174.600 -0.327 0.000 1.939 101 S CA 2.294 59.991 58.200 -0.838 0.000 4.230 101 S CB -1.236 61.094 63.200 -1.451 0.000 0.245 101 S HN 0.974 nan 8.310 nan 0.000 0.530 102 D N 1.734 122.017 120.400 -0.196 0.000 2.491 102 D HA 0.448 5.088 4.640 -0.000 0.000 0.228 102 D C 0.025 176.461 176.300 0.226 0.000 1.183 102 D CA -0.016 54.009 54.000 0.041 0.000 0.827 102 D CB -0.079 40.701 40.800 -0.033 0.000 0.989 102 D HN 0.393 nan 8.370 nan 0.000 0.494 103 V N 0.635 120.711 119.914 0.270 0.000 2.628 103 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 103 V C 0.051 176.309 176.094 0.274 0.000 1.045 103 V CA -0.893 61.586 62.300 0.298 0.000 0.905 103 V CB 2.251 34.323 31.823 0.415 0.000 0.997 103 V HN 0.080 nan 8.190 nan 0.000 0.436 104 I N 3.917 124.592 120.570 0.174 0.000 2.404 104 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 104 I C -0.792 175.433 176.117 0.181 0.000 0.992 104 I CA -0.760 60.613 61.300 0.121 0.000 1.149 104 I CB 2.074 40.072 38.000 -0.003 0.000 1.315 104 I HN 0.269 nan 8.210 nan 0.000 0.446 105 V N 5.953 125.948 119.914 0.135 0.000 2.350 105 V HA 0.624 4.744 4.120 -0.000 0.000 0.285 105 V C 0.109 176.216 176.094 0.021 0.000 1.014 105 V CA -0.496 61.852 62.300 0.080 0.000 0.831 105 V CB 1.282 33.142 31.823 0.062 0.000 1.000 105 V HN 0.799 nan 8.190 nan 0.000 0.433 106 A N 4.411 127.209 122.820 -0.037 0.000 2.318 106 A HA 0.732 5.052 4.320 -0.000 0.000 0.317 106 A C -0.343 177.169 177.584 -0.121 0.000 1.159 106 A CA -0.343 51.627 52.037 -0.111 0.000 0.799 106 A CB 0.887 19.770 19.000 -0.194 0.000 1.194 106 A HN 0.801 nan 8.150 nan 0.000 0.479 107 c N 1.471 120.004 118.600 -0.112 0.000 2.397 107 c HA 0.846 5.416 4.570 -0.000 0.000 0.343 107 c C 0.880 174.882 174.090 -0.145 0.000 1.188 107 c CA -0.170 56.097 56.329 -0.104 0.000 1.992 107 c CB 1.220 43.642 42.510 -0.145 0.000 2.358 107 c HN 1.011 nan 8.230 nan 0.000 0.518 108 A N 2.671 125.432 122.820 -0.098 0.000 2.664 108 A HA 0.581 4.901 4.320 -0.000 0.000 0.338 108 A C -2.039 175.397 177.584 -0.247 0.000 1.280 108 A CA -0.908 51.059 52.037 -0.118 0.000 0.809 108 A CB 0.245 19.305 19.000 0.100 0.000 1.114 108 A HN 0.652 nan 8.150 nan 0.000 0.479 109 P HA -0.073 nan 4.420 nan 0.000 0.223 109 P C 0.513 177.425 177.300 -0.648 0.000 1.151 109 P CA 0.987 63.642 63.100 -0.741 0.000 0.787 109 P CB 0.162 31.122 31.700 -1.232 0.000 0.788 110 W N -0.399 120.901 121.300 -0.000 0.000 3.102 110 W HA 0.335 4.995 4.660 -0.000 0.000 0.401 110 W C 0.429 177.011 176.519 0.106 0.000 1.070 110 W CA -0.491 56.870 57.345 0.026 0.000 1.921 110 W CB -0.990 28.516 29.460 0.078 0.000 1.118 110 W HN 0.082 nan 8.180 nan 0.000 0.647 111 Q N 1.328 121.243 119.800 0.191 0.000 2.286 111 Q HA -0.050 4.290 4.340 -0.000 0.000 0.290 111 Q C -0.642 175.492 176.000 0.223 0.000 1.049 111 Q CA 0.945 56.896 55.803 0.247 0.000 0.923 111 Q CB 0.538 29.374 28.738 0.163 0.000 1.183 111 Q HN 0.134 nan 8.270 nan 0.000 0.383 112 H N 2.597 121.835 119.070 0.280 0.000 2.544 112 H HA 0.508 5.064 4.556 -0.000 0.000 0.342 112 H C -1.194 174.442 175.328 0.513 0.000 1.185 112 H CA -0.309 55.929 56.048 0.316 0.000 1.264 112 H CB 1.062 30.945 29.762 0.202 0.000 1.607 112 H HN 0.659 nan 8.280 nan 0.000 0.550 113 W N 2.281 123.774 121.300 0.322 0.000 3.256 113 W HA 0.370 5.030 4.660 -0.000 0.000 0.324 113 W C -1.883 174.790 176.519 0.257 0.000 1.196 113 W CA -0.414 57.089 57.345 0.262 0.000 1.206 113 W CB 2.194 31.696 29.460 0.071 0.000 1.385 113 W HN 0.527 nan 8.180 nan 0.000 0.522 114 N N 2.382 120.863 118.700 -0.365 0.000 2.416 114 N HA 0.651 5.391 4.740 -0.000 0.000 0.276 114 N C -2.160 172.920 175.510 -0.718 0.000 1.261 114 N CA -0.400 52.433 53.050 -0.361 0.000 0.790 114 N CB 2.679 41.164 38.487 -0.003 0.000 1.554 114 N HN 0.139 nan 8.380 nan 0.000 0.481 115 V N 2.278 121.963 119.914 -0.381 0.000 2.638 115 V HA 0.552 4.671 4.120 -0.000 0.000 0.306 115 V C -0.486 175.545 176.094 -0.105 0.000 1.052 115 V CA -0.685 61.453 62.300 -0.270 0.000 0.885 115 V CB 1.647 33.392 31.823 -0.131 0.000 0.999 115 V HN 0.472 nan 8.190 nan 0.000 0.424 116 L N 3.701 124.874 121.223 -0.084 0.000 2.334 116 L HA 0.760 5.099 4.340 -0.000 0.000 0.276 116 L C -0.319 176.538 176.870 -0.021 0.000 1.014 116 L CA -0.440 54.379 54.840 -0.034 0.000 0.815 116 L CB 2.054 44.097 42.059 -0.026 0.000 1.268 116 L HN 0.686 nan 8.230 nan 0.000 0.428 117 E N 3.392 123.590 120.200 -0.004 0.000 2.361 117 E HA 0.285 4.634 4.350 -0.000 0.000 0.270 117 E C -0.742 175.861 176.600 0.005 0.000 0.911 117 E CA -0.381 56.019 56.400 0.000 0.000 0.818 117 E CB 1.153 30.856 29.700 0.005 0.000 1.332 117 E HN 0.618 nan 8.360 nan 0.000 0.402 118 K N 0.107 120.509 120.400 0.003 0.000 1.699 118 K HA -0.304 4.015 4.320 -0.000 0.000 0.127 118 K C 1.000 177.604 176.600 0.008 0.000 1.157 118 K CA 2.324 58.614 56.287 0.005 0.000 0.341 118 K CB -1.467 31.037 32.500 0.006 0.000 0.645 118 K HN 0.648 nan 8.250 nan 0.000 0.848 119 T N -0.007 114.553 114.554 0.010 0.000 3.122 119 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 119 T C 0.196 174.907 174.700 0.018 0.000 1.067 119 T CA 0.163 62.270 62.100 0.013 0.000 0.966 119 T CB 0.002 68.878 68.868 0.014 0.000 1.002 119 T HN 0.328 nan 8.240 nan 0.000 0.542 120 E N 1.098 121.309 120.200 0.019 0.000 2.243 120 E HA 0.605 4.955 4.350 -0.000 0.000 0.260 120 E C -0.499 176.117 176.600 0.027 0.000 0.985 120 E CA -1.002 55.414 56.400 0.027 0.000 0.858 120 E CB 1.392 31.110 29.700 0.029 0.000 1.210 120 E HN 0.700 nan 8.360 nan 0.000 0.411 121 E N -0.758 119.467 120.200 0.041 0.000 2.430 121 E HA 0.555 4.905 4.350 -0.000 0.000 0.279 121 E C -0.512 176.133 176.600 0.075 0.000 1.003 121 E CA -0.847 55.576 56.400 0.039 0.000 0.801 121 E CB 1.163 30.880 29.700 0.029 0.000 1.313 121 E HN 0.397 nan 8.360 nan 0.000 0.459 122 A N 1.288 124.152 122.820 0.073 0.000 2.014 122 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 122 A C 0.085 177.741 177.584 0.119 0.000 1.163 122 A CA 1.468 53.589 52.037 0.140 0.000 0.652 122 A CB -0.727 18.359 19.000 0.143 0.000 0.808 122 A HN 0.683 nan 8.150 nan 0.000 0.449 123 E N -1.949 118.298 120.200 0.079 0.000 7.552 123 E HA -0.082 4.268 4.350 -0.000 0.000 0.418 123 E C -0.747 175.899 176.600 0.076 0.000 0.537 123 E CA 0.075 56.524 56.400 0.082 0.000 1.114 123 E CB -0.363 29.408 29.700 0.119 0.000 0.948 123 E HN 0.469 nan 8.360 nan 0.000 0.262 124 K N 2.770 123.205 120.400 0.057 0.000 2.315 124 K HA 0.265 4.585 4.320 -0.000 0.000 0.291 124 K C -0.540 176.180 176.600 0.201 0.000 1.074 124 K CA 0.604 56.929 56.287 0.063 0.000 0.936 124 K CB 0.400 32.836 32.500 -0.106 0.000 1.049 124 K HN 0.473 nan 8.250 nan 0.000 0.471 125 T N 1.167 115.859 114.554 0.231 0.000 2.900 125 T HA 0.446 4.796 4.350 -0.000 0.000 0.303 125 T C -2.881 171.721 174.700 -0.162 0.000 1.142 125 T CA -2.085 60.099 62.100 0.139 0.000 1.007 125 T CB 1.923 70.845 68.868 0.091 0.000 1.156 125 T HN 0.321 nan 8.240 nan 0.000 0.490 126 P HA 0.224 nan 4.420 nan 0.000 0.247 126 P C 1.348 178.519 177.300 -0.214 0.000 1.756 126 P CA -0.526 62.277 63.100 -0.494 0.000 1.117 126 P CB 0.232 31.745 31.700 -0.313 0.000 1.869 127 V N 0.395 120.200 119.914 -0.181 0.000 2.809 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.256 127 V C 1.029 176.968 176.094 -0.258 0.000 1.080 127 V CA 0.912 63.066 62.300 -0.243 0.000 1.102 127 V CB -1.899 29.741 31.823 -0.304 0.000 0.705 127 V HN 0.662 nan 8.190 nan 0.000 0.475 128 G N -0.387 108.291 108.800 -0.202 0.000 2.814 128 G HA2 0.099 4.059 3.960 -0.000 0.000 0.677 128 G HA3 0.099 4.059 3.960 -0.000 0.000 0.677 128 G C -0.377 174.382 174.900 -0.236 0.000 1.429 128 G CA 0.064 45.035 45.100 -0.216 0.000 0.868 128 G HN 1.608 nan 8.290 nan 0.000 0.553 129 S N -1.484 114.088 115.700 -0.213 0.000 2.552 129 S HA 0.657 5.127 4.470 -0.000 0.000 0.272 129 S C -0.500 173.964 174.600 -0.225 0.000 1.150 129 S CA 0.123 58.158 58.200 -0.274 0.000 0.849 129 S CB 1.235 64.255 63.200 -0.300 0.000 1.113 129 S HN 1.563 nan 8.310 nan 0.000 0.458 130 c N 3.168 121.610 118.600 -0.263 0.000 2.456 130 c HA 0.755 5.324 4.570 -0.000 0.000 0.325 130 c C -1.043 172.866 174.090 -0.303 0.000 1.217 130 c CA -0.648 55.587 56.329 -0.158 0.000 1.687 130 c CB 0.098 42.565 42.510 -0.073 0.000 2.270 130 c HN 0.741 nan 8.230 nan 0.000 0.499 131 F N 2.731 122.475 119.950 -0.343 0.000 2.436 131 F HA 0.678 5.205 4.527 -0.000 0.000 0.340 131 F C -0.057 175.575 175.800 -0.281 0.000 1.113 131 F CA -0.707 57.029 58.000 -0.441 0.000 1.022 131 F CB 0.793 39.191 39.000 -1.004 0.000 1.128 131 F HN 0.179 nan 8.300 nan 0.000 0.466 132 L N 3.353 124.567 121.223 -0.015 0.000 2.322 132 L HA 0.838 5.178 4.340 -0.000 0.000 0.281 132 L C -0.290 176.755 176.870 0.291 0.000 1.014 132 L CA -0.517 54.359 54.840 0.060 0.000 0.815 132 L CB 1.765 43.667 42.059 -0.262 0.000 1.247 132 L HN 0.734 nan 8.230 nan 0.000 0.421 133 A N 2.633 125.702 122.820 0.414 0.000 2.414 133 A HA 0.699 5.019 4.320 -0.000 0.000 0.306 133 A C -0.944 176.812 177.584 0.286 0.000 1.054 133 A CA -0.514 51.728 52.037 0.342 0.000 0.724 133 A CB 1.541 20.651 19.000 0.184 0.000 1.267 133 A HN 0.651 nan 8.150 nan 0.000 0.418 134 Q N 3.010 122.935 119.800 0.209 0.000 2.508 134 Q HA 0.336 4.676 4.340 -0.000 0.000 0.247 134 Q C -2.084 173.940 176.000 0.041 0.000 1.047 134 Q CA -2.053 53.802 55.803 0.087 0.000 0.783 134 Q CB 1.169 29.884 28.738 -0.037 0.000 1.172 134 Q HN 0.464 nan 8.270 nan 0.000 0.515 135 P HA -0.207 nan 4.420 nan 0.000 0.216 135 P C 0.103 177.418 177.300 0.025 0.000 1.153 135 P CA 1.392 64.494 63.100 0.004 0.000 0.858 135 P CB 0.300 32.000 31.700 0.001 0.000 0.789 136 E N -0.895 119.335 120.200 0.050 0.000 2.478 136 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 136 E C 1.560 178.174 176.600 0.024 0.000 1.046 136 E CA 1.169 57.598 56.400 0.048 0.000 0.870 136 E CB -0.158 29.579 29.700 0.062 0.000 0.818 136 E HN 0.402 nan 8.360 nan 0.000 0.527 137 S N -2.085 113.621 115.700 0.010 0.000 2.670 137 S HA 0.287 4.757 4.470 -0.000 0.000 0.241 137 S C 1.598 176.204 174.600 0.009 0.000 1.077 137 S CA 0.291 58.492 58.200 0.003 0.000 0.899 137 S CB 1.025 64.216 63.200 -0.016 0.000 0.835 137 S HN 0.258 nan 8.310 nan 0.000 0.481 138 G N 1.703 110.510 108.800 0.012 0.000 2.176 138 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 138 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 138 G C 0.070 174.998 174.900 0.047 0.000 0.986 138 G CA -0.218 44.889 45.100 0.011 0.000 0.643 138 G HN 0.552 nan 8.290 nan 0.000 0.522 139 R N 0.425 120.971 120.500 0.077 0.000 2.623 139 R HA 0.462 4.802 4.340 -0.000 0.000 0.271 139 R C 0.226 176.689 176.300 0.273 0.000 1.043 139 R CA 0.188 56.389 56.100 0.168 0.000 1.083 139 R CB 0.326 30.715 30.300 0.148 0.000 0.974 139 R HN 0.115 nan 8.270 nan 0.000 0.436 140 R N 0.688 121.346 120.500 0.263 0.000 2.686 140 R HA 0.681 5.021 4.340 -0.000 0.000 0.283 140 R C -1.020 175.261 176.300 -0.032 0.000 0.978 140 R CA -0.853 55.355 56.100 0.180 0.000 0.897 140 R CB 2.301 32.687 30.300 0.143 0.000 1.192 140 R HN 0.754 nan 8.270 nan 0.000 0.457 141 A N 1.413 123.986 122.820 -0.412 0.000 2.593 141 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 141 A C -1.266 175.724 177.584 -0.989 0.000 1.126 141 A CA -0.682 50.746 52.037 -1.016 0.000 0.695 141 A CB 2.058 20.355 19.000 -1.173 0.000 1.290 141 A HN 0.638 nan 8.150 nan 0.000 0.414 142 E N -0.994 118.494 120.200 -1.188 0.000 2.416 142 E HA 0.576 4.926 4.350 -0.000 0.000 0.273 142 E C -2.186 174.434 176.600 0.034 0.000 0.935 142 E CA -0.578 55.483 56.400 -0.565 0.000 0.784 142 E CB 2.652 32.025 29.700 -0.546 0.000 1.301 142 E HN 0.553 nan 8.360 nan 0.000 0.454 143 Y N 0.354 120.570 120.300 -0.140 0.000 2.362 143 Y HA 0.383 4.933 4.550 -0.000 0.000 0.326 143 Y C -1.357 174.392 175.900 -0.253 0.000 1.083 143 Y CA -0.717 57.324 58.100 -0.098 0.000 1.073 143 Y CB 2.061 40.437 38.460 -0.140 0.000 1.211 143 Y HN 0.402 nan 8.280 nan 0.000 0.433 144 S N 8.386 123.652 115.700 -0.724 0.000 2.317 144 S HA 0.315 4.785 4.470 -0.000 0.000 0.144 144 S C -2.277 171.787 174.600 -0.894 0.000 1.660 144 S CA -1.029 56.725 58.200 -0.744 0.000 1.273 144 S CB 0.540 63.412 63.200 -0.546 0.000 1.330 144 S HN 0.596 nan 8.310 nan 0.000 0.395 145 P HA 0.091 nan 4.420 nan 0.000 0.230 145 P C 0.885 177.847 177.300 -0.564 0.000 1.158 145 P CA 0.560 63.176 63.100 -0.806 0.000 0.769 145 P CB -0.161 31.075 31.700 -0.774 0.000 0.807 146 c N -0.853 117.413 118.600 -0.558 0.000 2.780 146 c HA 0.227 4.797 4.570 -0.000 0.000 0.267 146 c C 1.365 175.160 174.090 -0.492 0.000 1.266 146 c CA -0.437 55.618 56.329 -0.455 0.000 1.709 146 c CB -1.127 41.130 42.510 -0.421 0.000 1.975 146 c HN 0.189 nan 8.230 nan 0.000 0.582 147 R N 1.232 121.307 120.500 -0.709 0.000 2.585 147 R HA 0.403 4.743 4.340 -0.000 0.000 0.275 147 R C 0.504 176.501 176.300 -0.505 0.000 1.018 147 R CA 0.640 56.127 56.100 -1.023 0.000 1.072 147 R CB 0.183 29.503 30.300 -1.632 0.000 0.953 147 R HN 0.526 nan 8.270 nan 0.000 0.419 148 G N 0.513 109.240 108.800 -0.122 0.000 2.798 148 G HA2 0.215 4.175 3.960 -0.000 0.000 0.286 148 G HA3 0.215 4.175 3.960 -0.000 0.000 0.286 148 G C -0.613 174.492 174.900 0.341 0.000 1.389 148 G CA -0.724 44.436 45.100 0.099 0.000 0.894 148 G HN 0.682 nan 8.290 nan 0.000 0.488 149 N N -1.048 117.778 118.700 0.210 0.000 2.365 149 N HA 0.155 4.895 4.740 -0.000 0.000 0.257 149 N C -0.268 175.311 175.510 0.114 0.000 1.287 149 N CA -0.322 52.842 53.050 0.189 0.000 0.882 149 N CB 0.731 39.302 38.487 0.140 0.000 1.250 149 N HN 0.235 nan 8.380 nan 0.000 0.507 150 T N 1.486 116.113 114.554 0.122 0.000 2.806 150 T HA 0.386 4.736 4.350 -0.000 0.000 0.290 150 T C 0.527 175.297 174.700 0.117 0.000 0.966 150 T CA -0.478 61.631 62.100 0.016 0.000 1.060 150 T CB 1.257 69.995 68.868 -0.216 0.000 0.927 150 T HN 0.106 nan 8.240 nan 0.000 0.485 151 L N 1.895 123.148 121.223 0.050 0.000 2.453 151 L HA 0.236 4.576 4.340 -0.000 0.000 0.261 151 L C 2.068 179.042 176.870 0.174 0.000 1.179 151 L CA -0.407 54.495 54.840 0.104 0.000 0.813 151 L CB 0.597 42.685 42.059 0.049 0.000 1.110 151 L HN 0.688 nan 8.230 nan 0.000 0.466 152 S N 1.006 116.835 115.700 0.216 0.000 2.380 152 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 152 S C 2.026 176.730 174.600 0.173 0.000 1.043 152 S CA 1.984 60.341 58.200 0.261 0.000 1.038 152 S CB -0.217 63.087 63.200 0.174 0.000 0.872 152 S HN 0.691 nan 8.310 nan 0.000 0.456 153 R N 0.166 120.716 120.500 0.083 0.000 2.127 153 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 153 R C 1.920 178.199 176.300 -0.035 0.000 1.134 153 R CA 1.682 57.795 56.100 0.023 0.000 0.975 153 R CB -0.285 30.026 30.300 0.018 0.000 0.865 153 R HN 0.415 nan 8.270 nan 0.000 0.447 154 I N 0.295 120.825 120.570 -0.067 0.000 2.353 154 I HA -0.200 3.969 4.170 -0.000 0.000 0.248 154 I C 1.739 177.720 176.117 -0.226 0.000 1.119 154 I CA 1.187 62.393 61.300 -0.156 0.000 1.417 154 I CB -1.309 36.560 38.000 -0.218 0.000 1.078 154 I HN 0.146 nan 8.210 nan 0.000 0.421 155 Y N 0.857 121.056 120.300 -0.169 0.000 2.181 155 Y HA -0.157 4.392 4.550 -0.000 0.000 0.288 155 Y C 2.739 178.197 175.900 -0.736 0.000 1.146 155 Y CA 1.109 58.999 58.100 -0.350 0.000 1.164 155 Y CB -1.110 37.164 38.460 -0.310 0.000 0.982 155 Y HN -0.121 nan 8.280 nan 0.000 0.515 156 V N 0.245 119.852 119.914 -0.511 0.000 2.287 156 V HA -0.296 3.823 4.120 -0.000 0.000 0.248 156 V C 1.910 177.872 176.094 -0.220 0.000 1.053 156 V CA 2.193 64.206 62.300 -0.478 0.000 1.027 156 V CB -0.570 31.176 31.823 -0.129 0.000 0.646 156 V HN 0.430 nan 8.190 nan 0.000 0.447 157 E N 0.165 120.282 120.200 -0.139 0.000 2.338 157 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 157 E C 0.958 177.516 176.600 -0.071 0.000 1.007 157 E CA 0.676 57.031 56.400 -0.075 0.000 0.849 157 E CB -0.078 29.590 29.700 -0.053 0.000 0.774 157 E HN 0.592 nan 8.360 nan 0.000 0.506 158 N N 1.231 119.868 118.700 -0.105 0.000 2.328 158 N HA -0.002 4.738 4.740 -0.000 0.000 0.247 158 N C -0.893 174.566 175.510 -0.086 0.000 1.165 158 N CA 0.131 53.139 53.050 -0.071 0.000 0.873 158 N CB 0.814 39.283 38.487 -0.030 0.000 1.125 158 N HN -0.005 nan 8.380 nan 0.000 0.513 159 D N 0.671 121.029 120.400 -0.070 0.000 2.737 159 D HA -0.229 4.411 4.640 -0.000 0.000 0.233 159 D C -0.293 176.110 176.300 0.172 0.000 1.155 159 D CA 0.617 54.651 54.000 0.057 0.000 0.667 159 D CB -1.616 39.194 40.800 0.016 0.000 1.060 159 D HN 0.346 nan 8.370 nan 0.000 0.427 160 F N -1.877 118.110 119.950 0.061 0.000 3.091 160 F HA -0.290 4.236 4.527 -0.000 0.000 0.288 160 F C 1.194 177.032 175.800 0.063 0.000 0.907 160 F CA 0.854 58.945 58.000 0.151 0.000 1.028 160 F CB -2.368 36.681 39.000 0.081 0.000 1.022 160 F HN 0.134 nan 8.300 nan 0.000 0.665 161 S N -0.944 114.765 115.700 0.015 0.000 2.584 161 S HA 0.387 4.857 4.470 -0.000 0.000 0.273 161 S C 0.372 174.957 174.600 -0.025 0.000 1.311 161 S CA -0.090 57.897 58.200 -0.355 0.000 1.034 161 S CB 0.855 63.451 63.200 -1.007 0.000 0.939 161 S HN 0.519 nan 8.310 nan 0.000 0.513 162 W N 0.070 121.440 121.300 0.118 0.000 6.170 162 W HA -0.156 4.504 4.660 -0.000 0.000 0.394 162 W C -0.376 176.377 176.519 0.390 0.000 1.480 162 W CA 0.538 58.014 57.345 0.218 0.000 1.027 162 W CB -2.225 27.313 29.460 0.130 0.000 2.638 162 W HN 0.884 nan 8.180 nan 0.000 1.547 163 D N 1.116 121.826 120.400 0.517 0.000 2.393 163 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 163 D C 0.931 177.241 176.300 0.017 0.000 1.192 163 D CA 0.158 54.324 54.000 0.277 0.000 0.882 163 D CB 0.490 41.449 40.800 0.264 0.000 1.038 163 D HN 0.147 nan 8.370 nan 0.000 0.499 164 K N 2.710 123.051 120.400 -0.098 0.000 2.437 164 K HA 0.177 4.496 4.320 -0.000 0.000 0.205 164 K C 1.496 177.801 176.600 -0.491 0.000 1.026 164 K CA -0.224 55.883 56.287 -0.300 0.000 1.153 164 K CB 0.835 33.202 32.500 -0.222 0.000 0.863 164 K HN 0.219 nan 8.250 nan 0.000 0.502 165 R N 0.013 120.040 120.500 -0.789 0.000 2.189 165 R HA -0.095 4.245 4.340 -0.000 0.000 0.223 165 R C 0.471 176.262 176.300 -0.848 0.000 1.092 165 R CA 1.208 56.793 56.100 -0.859 0.000 0.989 165 R CB 0.037 29.724 30.300 -1.022 0.000 0.876 165 R HN 0.269 nan 8.270 nan 0.000 0.457 166 Y N -2.727 117.358 120.300 -0.358 0.000 2.720 166 Y HA 0.222 4.772 4.550 -0.000 0.000 0.268 166 Y C 1.514 177.202 175.900 -0.354 0.000 1.142 166 Y CA -1.250 56.623 58.100 -0.378 0.000 1.193 166 Y CB -0.768 37.322 38.460 -0.616 0.000 1.176 166 Y HN -0.075 nan 8.280 nan 0.000 0.542 167 c N 0.728 119.146 118.600 -0.304 0.000 2.385 167 c HA -0.255 4.315 4.570 -0.000 0.000 0.275 167 c C 1.344 175.312 174.090 -0.204 0.000 1.207 167 c CA 1.766 57.928 56.329 -0.279 0.000 1.760 167 c CB -0.815 41.500 42.510 -0.325 0.000 2.051 167 c HN 0.727 nan 8.230 nan 0.000 0.467 168 E N -0.634 119.456 120.200 -0.183 0.000 2.252 168 E HA -0.219 4.131 4.350 -0.000 0.000 0.218 168 E C 0.164 176.650 176.600 -0.191 0.000 1.253 168 E CA 0.026 56.321 56.400 -0.175 0.000 0.705 168 E CB -1.413 28.247 29.700 -0.067 0.000 1.172 168 E HN 0.777 nan 8.360 nan 0.000 0.369 169 A N 0.247 122.925 122.820 -0.237 0.000 2.565 169 A HA 0.377 4.697 4.320 -0.000 0.000 0.237 169 A C 1.687 179.144 177.584 -0.212 0.000 1.053 169 A CA 1.053 52.948 52.037 -0.237 0.000 0.755 169 A CB 0.151 18.959 19.000 -0.319 0.000 0.980 169 A HN 1.138 nan 8.150 nan 0.000 0.506 170 G N 1.104 109.809 108.800 -0.159 0.000 2.176 170 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 170 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 170 G C 0.743 175.545 174.900 -0.163 0.000 0.979 170 G CA 0.802 45.811 45.100 -0.152 0.000 0.641 170 G HN 1.257 nan 8.290 nan 0.000 0.530 171 F N 2.613 122.372 119.950 -0.318 0.000 2.115 171 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 171 F C 1.764 177.415 175.800 -0.249 0.000 1.092 171 F CA 2.488 60.285 58.000 -0.338 0.000 1.245 171 F CB -0.021 38.790 39.000 -0.316 0.000 0.995 171 F HN 0.612 nan 8.300 nan 0.000 0.481 172 S N -1.058 114.682 115.700 0.067 0.000 2.634 172 S HA 0.736 5.206 4.470 -0.000 0.000 0.296 172 S C -0.579 173.981 174.600 -0.066 0.000 1.104 172 S CA -0.086 58.100 58.200 -0.023 0.000 0.920 172 S CB 1.971 65.180 63.200 0.015 0.000 1.111 172 S HN 0.439 nan 8.310 nan 0.000 0.493 173 S N -0.332 115.323 115.700 -0.076 0.000 2.547 173 S HA 0.837 5.307 4.470 -0.000 0.000 0.270 173 S C -1.289 173.269 174.600 -0.070 0.000 1.150 173 S CA -0.705 57.448 58.200 -0.078 0.000 0.850 173 S CB 1.203 64.364 63.200 -0.066 0.000 1.118 173 S HN 1.858 nan 8.310 nan 0.000 0.461 174 V N 0.848 120.714 119.914 -0.081 0.000 3.147 174 V HA 0.759 4.879 4.120 -0.000 0.000 0.299 174 V C -1.837 174.211 176.094 -0.077 0.000 1.302 174 V CA -0.503 61.762 62.300 -0.060 0.000 1.015 174 V CB 2.126 33.909 31.823 -0.067 0.000 1.086 174 V HN 1.135 nan 8.190 nan 0.000 0.437 175 V N 3.782 123.671 119.914 -0.041 0.000 2.588 175 V HA 0.567 4.687 4.120 -0.000 0.000 0.304 175 V C 0.414 176.460 176.094 -0.081 0.000 1.042 175 V CA -0.068 62.163 62.300 -0.114 0.000 0.877 175 V CB 1.990 33.742 31.823 -0.118 0.000 0.996 175 V HN 1.108 nan 8.190 nan 0.000 0.425 176 T N 1.361 115.837 114.554 -0.131 0.000 2.748 176 T HA 0.103 4.453 4.350 -0.000 0.000 0.304 176 T C 0.952 175.646 174.700 -0.009 0.000 1.041 176 T CA -0.238 61.841 62.100 -0.034 0.000 1.033 176 T CB 0.780 69.642 68.868 -0.011 0.000 0.995 176 T HN 0.549 nan 8.240 nan 0.000 0.536 177 Q N 0.521 120.390 119.800 0.115 0.000 2.170 177 Q HA -0.033 4.306 4.340 -0.000 0.000 0.203 177 Q C 2.545 178.722 176.000 0.295 0.000 0.976 177 Q CA 1.755 57.711 55.803 0.255 0.000 0.858 177 Q CB -1.005 27.839 28.738 0.178 0.000 0.907 177 Q HN 0.935 nan 8.270 nan 0.000 0.433 178 A N -0.241 122.640 122.820 0.101 0.000 2.209 178 A HA 0.229 4.549 4.320 -0.000 0.000 0.212 178 A C 1.361 178.871 177.584 -0.123 0.000 1.158 178 A CA 1.143 53.218 52.037 0.062 0.000 0.742 178 A CB -0.247 18.757 19.000 0.007 0.000 0.790 178 A HN 0.432 nan 8.150 nan 0.000 0.472 179 G N -0.639 107.826 108.800 -0.558 0.000 2.164 179 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.212 179 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.212 179 G C -0.440 173.981 174.900 -0.797 0.000 1.031 179 G CA 0.082 44.296 45.100 -1.477 0.000 0.730 179 G HN 0.530 nan 8.290 nan 0.000 0.501 180 E N -0.279 119.634 120.200 -0.478 0.000 2.167 180 E HA 0.556 4.906 4.350 -0.000 0.000 0.284 180 E C 0.289 176.709 176.600 -0.300 0.000 1.016 180 E CA -0.756 55.459 56.400 -0.309 0.000 0.817 180 E CB 1.654 31.255 29.700 -0.165 0.000 1.080 180 E HN 0.309 nan 8.360 nan 0.000 0.397 181 L N 4.492 125.549 121.223 -0.278 0.000 2.319 181 L HA 0.259 4.599 4.340 -0.000 0.000 0.280 181 L C -1.150 175.614 176.870 -0.177 0.000 1.099 181 L CA -0.227 54.485 54.840 -0.212 0.000 0.828 181 L CB 0.834 42.777 42.059 -0.194 0.000 1.150 181 L HN 0.317 nan 8.230 nan 0.000 0.442 182 V N 7.016 126.820 119.914 -0.184 0.000 2.409 182 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 182 V C -0.052 175.947 176.094 -0.158 0.000 1.020 182 V CA -0.575 61.590 62.300 -0.225 0.000 0.848 182 V CB 1.394 32.950 31.823 -0.444 0.000 0.990 182 V HN 0.599 nan 8.190 nan 0.000 0.430 183 L N 4.128 125.287 121.223 -0.108 0.000 2.322 183 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 183 L C 0.831 177.628 176.870 -0.121 0.000 1.014 183 L CA -0.467 54.315 54.840 -0.097 0.000 0.815 183 L CB 1.815 43.832 42.059 -0.069 0.000 1.247 183 L HN 0.748 nan 8.230 nan 0.000 0.421 184 G N 1.906 110.639 108.800 -0.112 0.000 2.353 184 G HA2 0.545 4.505 3.960 -0.000 0.000 0.284 184 G HA3 0.545 4.505 3.960 -0.000 0.000 0.284 184 G C -0.361 174.482 174.900 -0.095 0.000 1.172 184 G CA -0.220 44.816 45.100 -0.108 0.000 0.854 184 G HN 0.721 nan 8.290 nan 0.000 0.485 185 A N 4.790 127.541 122.820 -0.115 0.000 2.893 185 A HA 0.650 4.970 4.320 -0.000 0.000 0.333 185 A C -1.445 176.062 177.584 -0.129 0.000 1.152 185 A CA -1.163 50.783 52.037 -0.153 0.000 0.782 185 A CB 1.549 20.425 19.000 -0.206 0.000 1.108 185 A HN 0.452 nan 8.150 nan 0.000 0.469 186 P HA -0.076 nan 4.420 nan 0.000 0.226 186 P C 1.314 178.656 177.300 0.070 0.000 1.153 186 P CA 1.610 64.665 63.100 -0.074 0.000 0.777 186 P CB 0.198 31.666 31.700 -0.388 0.000 0.794 187 G N -0.156 108.610 108.800 -0.057 0.000 2.985 187 G HA2 0.130 4.090 3.960 -0.000 0.000 0.209 187 G HA3 0.130 4.090 3.960 -0.000 0.000 0.209 187 G C 0.881 175.635 174.900 -0.244 0.000 1.165 187 G CA 0.083 45.129 45.100 -0.091 0.000 0.776 187 G HN 0.399 nan 8.290 nan 0.000 0.541 188 G N -0.608 108.085 108.800 -0.180 0.000 2.414 188 G HA2 0.270 4.230 3.960 -0.000 0.000 0.236 188 G HA3 0.270 4.230 3.960 -0.000 0.000 0.236 188 G C -0.011 174.809 174.900 -0.133 0.000 1.293 188 G CA -0.264 44.647 45.100 -0.315 0.000 0.869 188 G HN 0.397 nan 8.290 nan 0.000 0.556 189 Y N -0.334 119.945 120.300 -0.035 0.000 3.057 189 Y HA -0.220 4.330 4.550 -0.000 0.000 0.192 189 Y C 0.770 176.743 175.900 0.122 0.000 1.448 189 Y CA 0.548 58.676 58.100 0.047 0.000 1.065 189 Y CB -2.871 35.614 38.460 0.042 0.000 1.369 189 Y HN 0.891 nan 8.280 nan 0.000 0.460 190 Y N -0.908 119.440 120.300 0.081 0.000 3.078 190 Y HA -0.236 4.314 4.550 -0.000 0.000 0.202 190 Y C 0.789 176.748 175.900 0.097 0.000 1.322 190 Y CA 1.191 59.303 58.100 0.020 0.000 1.118 190 Y CB -1.792 36.709 38.460 0.068 0.000 1.343 190 Y HN 0.485 nan 8.280 nan 0.000 0.499 191 F N -4.126 115.983 119.950 0.264 0.000 2.746 191 F HA -0.407 4.120 4.527 -0.000 0.000 0.315 191 F C 1.218 177.192 175.800 0.291 0.000 0.666 191 F CA 0.577 58.748 58.000 0.286 0.000 1.381 191 F CB -1.981 37.197 39.000 0.296 0.000 1.739 191 F HN 0.194 nan 8.300 nan 0.000 0.322 192 L N 0.128 121.575 121.223 0.374 0.000 2.017 192 L HA 0.309 4.649 4.340 -0.000 0.000 0.208 192 L C 1.677 178.787 176.870 0.400 0.000 1.073 192 L CA 2.082 57.140 54.840 0.363 0.000 0.745 192 L CB -0.967 41.284 42.059 0.319 0.000 0.894 192 L HN 0.602 nan 8.230 nan 0.000 0.432 193 G N -0.953 108.042 108.800 0.325 0.000 2.617 193 G HA2 0.245 4.205 3.960 -0.000 0.000 0.686 193 G HA3 0.245 4.205 3.960 -0.000 0.000 0.686 193 G C -1.383 173.697 174.900 0.300 0.000 1.214 193 G CA -0.461 44.830 45.100 0.319 0.000 0.796 193 G HN 0.475 nan 8.290 nan 0.000 0.654 194 L N -1.233 120.105 121.223 0.192 0.000 2.479 194 L HA 1.009 5.349 4.340 -0.000 0.000 0.255 194 L C -1.081 175.855 176.870 0.110 0.000 1.026 194 L CA -1.462 53.461 54.840 0.140 0.000 0.842 194 L CB 1.572 43.416 42.059 -0.358 0.000 1.444 194 L HN 0.775 nan 8.230 nan 0.000 0.409 195 L N 1.591 122.850 121.223 0.060 0.000 2.334 195 L HA 0.954 5.294 4.340 -0.000 0.000 0.276 195 L C -0.200 176.584 176.870 -0.144 0.000 1.014 195 L CA -0.258 54.532 54.840 -0.083 0.000 0.815 195 L CB 1.799 43.831 42.059 -0.045 0.000 1.268 195 L HN 1.011 nan 8.230 nan 0.000 0.428 196 A N 3.283 126.055 122.820 -0.080 0.000 2.343 196 A HA 0.719 5.039 4.320 -0.000 0.000 0.308 196 A C -1.097 176.526 177.584 0.065 0.000 1.092 196 A CA -0.491 51.538 52.037 -0.014 0.000 0.751 196 A CB 1.375 20.326 19.000 -0.083 0.000 1.203 196 A HN 0.546 nan 8.150 nan 0.000 0.452 197 Q N 1.584 121.451 119.800 0.112 0.000 2.353 197 Q HA 0.763 5.103 4.340 -0.000 0.000 0.268 197 Q C -1.347 174.644 176.000 -0.015 0.000 1.045 197 Q CA -0.455 55.365 55.803 0.029 0.000 0.811 197 Q CB 2.079 30.844 28.738 0.045 0.000 1.305 197 Q HN 1.327 nan 8.270 nan 0.000 0.447 198 A N 4.470 127.196 122.820 -0.157 0.000 2.589 198 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 198 A C -2.814 174.609 177.584 -0.267 0.000 1.062 198 A CA -1.263 50.626 52.037 -0.246 0.000 0.686 198 A CB 1.678 20.383 19.000 -0.492 0.000 1.282 198 A HN 0.553 nan 8.150 nan 0.000 0.404 199 P HA 0.213 nan 4.420 nan 0.000 0.268 199 P C 1.106 178.293 177.300 -0.187 0.000 1.204 199 P CA -0.100 62.883 63.100 -0.195 0.000 0.768 199 P CB 0.799 32.427 31.700 -0.119 0.000 0.842 200 V N 3.463 123.256 119.914 -0.202 0.000 2.332 200 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 200 V C 2.368 178.557 176.094 0.158 0.000 1.055 200 V CA 2.769 65.043 62.300 -0.043 0.000 1.038 200 V CB -1.546 30.268 31.823 -0.014 0.000 0.651 200 V HN 0.670 nan 8.190 nan 0.000 0.450 201 A N -0.061 122.823 122.820 0.106 0.000 1.908 201 A HA -0.275 4.044 4.320 -0.000 0.000 0.218 201 A C 1.960 179.633 177.584 0.149 0.000 1.181 201 A CA 2.214 54.342 52.037 0.152 0.000 0.627 201 A CB -0.608 18.445 19.000 0.089 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 D N -0.371 120.069 120.400 0.067 0.000 2.234 202 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 202 D C 1.794 178.141 176.300 0.078 0.000 0.962 202 D CA 0.648 54.685 54.000 0.061 0.000 0.855 202 D CB -0.267 40.541 40.800 0.013 0.000 0.951 202 D HN 0.539 nan 8.370 nan 0.000 0.500 203 I N -0.056 120.521 120.570 0.012 0.000 2.179 203 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 203 I C 1.982 178.116 176.117 0.030 0.000 1.088 203 I CA 0.846 62.130 61.300 -0.026 0.000 1.357 203 I CB -0.172 37.682 38.000 -0.243 0.000 1.051 203 I HN -0.114 nan 8.210 nan 0.000 0.409 204 F N 1.074 121.054 119.950 0.051 0.000 2.134 204 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 204 F C 2.939 178.786 175.800 0.078 0.000 1.097 204 F CA 1.832 59.871 58.000 0.066 0.000 1.264 204 F CB -0.600 38.433 39.000 0.055 0.000 1.001 204 F HN 0.116 nan 8.300 nan 0.000 0.479 205 S N -1.310 114.542 115.700 0.252 0.000 2.489 205 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 205 S C 1.735 176.403 174.600 0.113 0.000 0.995 205 S CA 0.822 59.118 58.200 0.159 0.000 0.934 205 S CB -0.673 62.600 63.200 0.122 0.000 0.771 205 S HN 0.339 nan 8.310 nan 0.000 0.522 206 S N -0.852 114.928 115.700 0.135 0.000 2.524 206 S HA 0.258 4.727 4.470 -0.000 0.000 0.215 206 S C 0.092 174.628 174.600 -0.107 0.000 0.986 206 S CA -0.763 57.509 58.200 0.121 0.000 0.911 206 S CB -0.630 62.745 63.200 0.292 0.000 0.805 206 S HN 0.588 nan 8.310 nan 0.000 0.501 207 Y N 3.258 123.385 120.300 -0.289 0.000 2.313 207 Y HA 0.644 5.194 4.550 -0.000 0.000 0.332 207 Y C -0.064 175.556 175.900 -0.466 0.000 1.071 207 Y CA -0.758 56.936 58.100 -0.677 0.000 1.169 207 Y CB 0.554 38.711 38.460 -0.504 0.000 1.192 207 Y HN 0.009 nan 8.280 nan 0.000 0.487 208 R N 6.080 125.778 120.500 -1.337 0.000 2.744 208 R HA 0.400 4.740 4.340 -0.000 0.000 0.279 208 R C -2.977 172.577 176.300 -1.244 0.000 0.977 208 R CA -2.511 52.996 56.100 -0.988 0.000 0.906 208 R CB 1.322 31.326 30.300 -0.494 0.000 1.197 208 R HN 0.546 nan 8.270 nan 0.000 0.463 209 P HA 0.131 nan 4.420 nan 0.000 0.268 209 P C 0.723 177.855 177.300 -0.281 0.000 1.205 209 P CA 0.583 63.437 63.100 -0.410 0.000 0.771 209 P CB 0.554 32.182 31.700 -0.120 0.000 0.858 210 G N 2.274 110.971 108.800 -0.172 0.000 2.199 210 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 210 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 210 G C 0.872 175.733 174.900 -0.065 0.000 0.982 210 G CA 0.083 45.134 45.100 -0.082 0.000 0.632 210 G HN 0.447 nan 8.290 nan 0.000 0.529 211 I N 0.405 120.894 120.570 -0.134 0.000 2.333 211 I HA 0.092 4.262 4.170 -0.000 0.000 0.246 211 I C 2.695 178.885 176.117 0.120 0.000 1.106 211 I CA 1.980 63.254 61.300 -0.045 0.000 1.411 211 I CB -0.974 36.948 38.000 -0.129 0.000 1.082 211 I HN 0.500 nan 8.210 nan 0.000 0.420 212 L N -1.461 119.886 121.223 0.206 0.000 3.417 212 L HA -0.299 4.041 4.340 -0.000 0.000 0.368 212 L C 0.501 177.584 176.870 0.355 0.000 0.810 212 L CA 1.184 56.241 54.840 0.361 0.000 3.108 212 L CB -1.342 40.942 42.059 0.375 0.000 0.687 212 L HN 0.129 nan 8.230 nan 0.000 0.756 213 L N 0.177 121.565 121.223 0.276 0.000 2.295 213 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 213 L C -0.547 176.378 176.870 0.093 0.000 1.018 213 L CA -0.385 54.486 54.840 0.053 0.000 0.841 213 L CB 1.106 43.190 42.059 0.041 0.000 1.218 213 L HN 0.352 nan 8.230 nan 0.000 0.424 214 W N 2.852 124.015 121.300 -0.229 0.000 3.047 214 W HA 0.517 5.177 4.660 -0.000 0.000 0.341 214 W C -1.284 175.074 176.519 -0.267 0.000 1.225 214 W CA -0.854 56.342 57.345 -0.248 0.000 1.150 214 W CB 0.753 30.145 29.460 -0.114 0.000 1.470 214 W HN 0.164 nan 8.180 nan 0.000 0.578 215 H N 1.215 120.353 119.070 0.114 0.000 2.467 215 H HA 0.488 5.044 4.556 -0.000 0.000 0.326 215 H C -0.725 174.666 175.328 0.105 0.000 1.094 215 H CA -0.682 55.369 56.048 0.005 0.000 1.253 215 H CB 2.003 31.791 29.762 0.043 0.000 1.439 215 H HN 0.309 nan 8.280 nan 0.000 0.479 216 V N 3.679 123.674 119.914 0.134 0.000 2.294 216 V HA -0.005 4.114 4.120 -0.000 0.000 0.272 216 V C 1.411 177.559 176.094 0.090 0.000 1.027 216 V CA -0.313 62.072 62.300 0.141 0.000 0.823 216 V CB 0.908 32.796 31.823 0.108 0.000 1.030 216 V HN 0.877 nan 8.190 nan 0.000 0.457 217 S N 2.756 118.506 115.700 0.083 0.000 2.419 217 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 217 S C 1.713 176.327 174.600 0.023 0.000 1.016 217 S CA 1.235 59.459 58.200 0.040 0.000 0.974 217 S CB -0.269 62.947 63.200 0.027 0.000 0.786 217 S HN 0.841 nan 8.310 nan 0.000 0.492 218 S N 1.180 116.890 115.700 0.017 0.000 2.593 218 S HA 0.096 4.566 4.470 -0.000 0.000 0.217 218 S C 0.674 175.267 174.600 -0.011 0.000 0.966 218 S CA -0.515 57.683 58.200 -0.004 0.000 0.914 218 S CB -0.622 62.568 63.200 -0.018 0.000 0.776 218 S HN 0.840 nan 8.310 nan 0.000 0.523 219 Q N 1.136 120.941 119.800 0.009 0.000 2.368 219 Q HA 0.549 4.889 4.340 -0.000 0.000 0.237 219 Q C -0.690 175.337 176.000 0.045 0.000 0.987 219 Q CA -0.419 55.400 55.803 0.027 0.000 0.896 219 Q CB 0.793 29.578 28.738 0.080 0.000 1.241 219 Q HN 0.109 nan 8.270 nan 0.000 0.485 220 S N 2.453 118.198 115.700 0.076 0.000 2.720 220 S HA 0.508 4.978 4.470 -0.000 0.000 0.278 220 S C -1.624 173.100 174.600 0.208 0.000 1.172 220 S CA -0.712 57.566 58.200 0.129 0.000 1.019 220 S CB 0.767 64.022 63.200 0.090 0.000 1.049 220 S HN 0.528 nan 8.310 nan 0.000 0.483 221 L N 3.746 125.021 121.223 0.087 0.000 2.330 221 L HA 0.645 4.985 4.340 -0.000 0.000 0.271 221 L C 0.946 177.527 176.870 -0.481 0.000 1.013 221 L CA -0.197 54.574 54.840 -0.115 0.000 0.816 221 L CB 1.772 43.770 42.059 -0.102 0.000 1.287 221 L HN 0.823 nan 8.230 nan 0.000 0.435 222 S N 0.528 115.695 115.700 -0.887 0.000 2.633 222 S HA 0.577 5.047 4.470 -0.000 0.000 0.257 222 S C -0.234 173.976 174.600 -0.651 0.000 1.265 222 S CA -0.336 57.157 58.200 -1.177 0.000 0.980 222 S CB 0.227 62.935 63.200 -0.820 0.000 1.017 222 S HN 0.206 nan 8.310 nan 0.000 0.577 223 F N -0.394 119.552 119.950 -0.007 0.000 2.523 223 F HA 0.483 5.010 4.527 -0.000 0.000 0.329 223 F C 0.752 176.363 175.800 -0.315 0.000 1.061 223 F CA -1.154 56.809 58.000 -0.061 0.000 0.967 223 F CB 0.817 39.774 39.000 -0.072 0.000 1.218 223 F HN 0.484 nan 8.300 nan 0.000 0.480 224 D N 0.361 120.462 120.400 -0.499 0.000 2.358 224 D HA 0.365 5.005 4.640 -0.000 0.000 0.244 224 D C -0.772 175.363 176.300 -0.276 0.000 1.163 224 D CA 0.367 53.962 54.000 -0.674 0.000 0.945 224 D CB 1.530 41.837 40.800 -0.821 0.000 1.152 224 D HN 0.453 nan 8.370 nan 0.000 0.451 225 S N -0.964 114.610 115.700 -0.211 0.000 2.556 225 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 225 S C 0.142 174.742 174.600 -0.000 0.000 1.135 225 S CA -0.331 57.784 58.200 -0.141 0.000 0.858 225 S CB 1.064 64.111 63.200 -0.256 0.000 1.114 225 S HN 0.350 nan 8.310 nan 0.000 0.468 226 S N 2.180 117.884 115.700 0.007 0.000 2.540 226 S HA 0.197 4.667 4.470 -0.000 0.000 0.218 226 S C 0.363 174.985 174.600 0.036 0.000 0.977 226 S CA -0.283 57.975 58.200 0.097 0.000 0.918 226 S CB -0.402 62.812 63.200 0.023 0.000 0.806 226 S HN 0.611 nan 8.310 nan 0.000 0.496 227 N N 3.791 122.471 118.700 -0.034 0.000 2.416 227 N HA 0.222 4.962 4.740 -0.000 0.000 0.265 227 N C -2.022 173.191 175.510 -0.494 0.000 1.195 227 N CA -1.898 51.083 53.050 -0.115 0.000 0.943 227 N CB 1.165 39.706 38.487 0.090 0.000 1.115 227 N HN 0.039 nan 8.380 nan 0.000 0.481 228 P HA -0.049 nan 4.420 nan 0.000 0.226 228 P C 0.605 177.145 177.300 -1.268 0.000 1.153 228 P CA 0.876 62.969 63.100 -1.679 0.000 0.777 228 P CB 0.327 31.532 31.700 -0.825 0.000 0.794 229 E N -1.326 118.393 120.200 -0.802 0.000 2.219 229 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 229 E C 1.117 177.004 176.600 -1.187 0.000 0.998 229 E CA 1.134 56.914 56.400 -1.033 0.000 0.818 229 E CB -0.467 28.768 29.700 -0.775 0.000 0.741 229 E HN 0.421 nan 8.360 nan 0.000 0.477 230 Y N -0.852 119.103 120.300 -0.574 0.000 2.523 230 Y HA 0.094 4.644 4.550 -0.000 0.000 0.279 230 Y C 0.443 176.324 175.900 -0.032 0.000 1.139 230 Y CA -0.174 57.830 58.100 -0.161 0.000 1.296 230 Y CB 0.268 38.754 38.460 0.044 0.000 1.045 230 Y HN -0.106 nan 8.280 nan 0.000 0.538 231 F N 2.156 121.964 119.950 -0.235 0.000 2.578 231 F HA -0.061 4.466 4.527 -0.000 0.000 0.376 231 F C 0.653 176.301 175.800 -0.252 0.000 1.085 231 F CA -0.213 57.672 58.000 -0.192 0.000 1.260 231 F CB 0.355 39.197 39.000 -0.265 0.000 1.095 231 F HN 0.270 nan 8.300 nan 0.000 0.573 232 D N 2.089 122.537 120.400 0.080 0.000 2.911 232 D HA -0.179 4.461 4.640 -0.000 0.000 0.227 232 D C 1.277 177.299 176.300 -0.464 0.000 1.164 232 D CA 0.803 54.704 54.000 -0.165 0.000 0.782 232 D CB -1.281 39.384 40.800 -0.226 0.000 1.094 232 D HN 0.877 nan 8.370 nan 0.000 0.425 233 G N -0.442 108.281 108.800 -0.129 0.000 2.572 233 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 233 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 233 G C 0.476 175.436 174.900 0.100 0.000 1.133 233 G CA 0.059 45.146 45.100 -0.022 0.000 0.791 233 G HN 0.348 nan 8.290 nan 0.000 0.538 234 Y N -2.400 118.062 120.300 0.271 0.000 3.168 234 Y HA -0.157 4.392 4.550 -0.000 0.000 0.207 234 Y C 0.446 176.509 175.900 0.273 0.000 1.280 234 Y CA -0.590 57.658 58.100 0.247 0.000 1.235 234 Y CB -2.525 36.079 38.460 0.240 0.000 1.370 234 Y HN 0.464 nan 8.280 nan 0.000 0.537 235 W N 1.758 123.216 121.300 0.263 0.000 2.565 235 W HA 0.449 5.109 4.660 -0.000 0.000 0.325 235 W C 1.118 177.704 176.519 0.111 0.000 1.408 235 W CA 1.511 58.971 57.345 0.192 0.000 1.350 235 W CB 0.362 29.971 29.460 0.248 0.000 1.426 235 W HN 0.676 nan 8.180 nan 0.000 0.538 236 G N 4.128 112.863 108.800 -0.108 0.000 2.168 236 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.197 236 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.197 236 G C 0.453 175.330 174.900 -0.037 0.000 0.997 236 G CA 0.083 45.098 45.100 -0.142 0.000 0.658 236 G HN 0.643 nan 8.290 nan 0.000 0.513 237 Y N 2.170 122.411 120.300 -0.098 0.000 2.207 237 Y HA 0.165 4.715 4.550 -0.000 0.000 0.287 237 Y C 1.769 177.725 175.900 0.094 0.000 1.156 237 Y CA 2.399 60.474 58.100 -0.042 0.000 1.182 237 Y CB 0.195 38.688 38.460 0.053 0.000 0.979 237 Y HN 0.678 nan 8.280 nan 0.000 0.521 238 S N -0.991 114.812 115.700 0.171 0.000 2.570 238 S HA 0.664 5.134 4.470 -0.000 0.000 0.286 238 S C -1.283 173.272 174.600 -0.075 0.000 1.099 238 S CA -0.649 57.576 58.200 0.042 0.000 0.913 238 S CB 2.041 65.260 63.200 0.032 0.000 1.085 238 S HN 0.058 nan 8.310 nan 0.000 0.480 239 V N 0.237 120.097 119.914 -0.089 0.000 3.012 239 V HA 0.939 5.059 4.120 -0.000 0.000 0.307 239 V C -0.875 175.165 176.094 -0.090 0.000 1.166 239 V CA 0.101 62.323 62.300 -0.131 0.000 0.974 239 V CB 1.721 33.444 31.823 -0.167 0.000 1.040 239 V HN 1.758 nan 8.190 nan 0.000 0.428 240 A N 3.933 126.710 122.820 -0.072 0.000 2.588 240 A HA 0.978 5.298 4.320 -0.000 0.000 0.290 240 A C -1.080 176.527 177.584 0.039 0.000 1.136 240 A CA 0.006 52.029 52.037 -0.023 0.000 0.681 240 A CB 1.896 20.888 19.000 -0.012 0.000 1.282 240 A HN 2.082 nan 8.150 nan 0.000 0.421 241 V N -2.315 117.644 119.914 0.076 0.000 3.001 241 V HA 1.067 5.187 4.120 -0.000 0.000 0.314 241 V C 0.049 176.237 176.094 0.157 0.000 1.099 241 V CA 0.168 62.571 62.300 0.172 0.000 0.989 241 V CB 1.285 33.210 31.823 0.170 0.000 1.040 241 V HN 2.421 nan 8.190 nan 0.000 0.434 242 G N 1.290 110.241 108.800 0.251 0.000 2.428 242 G HA2 0.544 4.504 3.960 -0.000 0.000 0.304 242 G HA3 0.544 4.504 3.960 -0.000 0.000 0.304 242 G C -1.935 173.111 174.900 0.243 0.000 1.303 242 G CA -0.350 44.867 45.100 0.194 0.000 0.825 242 G HN 1.107 nan 8.290 nan 0.000 0.484 243 E N -0.384 119.879 120.200 0.105 0.000 2.145 243 E HA 0.702 5.051 4.350 -0.000 0.000 0.262 243 E C -1.066 175.330 176.600 -0.339 0.000 0.883 243 E CA -0.770 55.605 56.400 -0.042 0.000 0.748 243 E CB 0.762 30.410 29.700 -0.086 0.000 1.140 243 E HN 0.271 nan 8.360 nan 0.000 0.417 244 F N 2.048 122.069 119.950 0.118 0.000 2.856 244 F HA 0.187 4.714 4.527 -0.000 0.000 0.338 244 F C 0.709 176.589 175.800 0.132 0.000 1.100 244 F CA -0.264 57.813 58.000 0.128 0.000 1.150 244 F CB 0.965 40.054 39.000 0.148 0.000 1.101 244 F HN 0.433 nan 8.300 nan 0.000 0.548 245 D N -1.243 119.283 120.400 0.209 0.000 2.479 245 D HA 0.234 4.874 4.640 -0.000 0.000 0.218 245 D C 1.728 178.076 176.300 0.079 0.000 1.177 245 D CA 0.526 54.611 54.000 0.141 0.000 0.830 245 D CB 0.163 41.023 40.800 0.100 0.000 1.014 245 D HN 0.194 nan 8.370 nan 0.000 0.503 246 G N 0.783 109.616 108.800 0.056 0.000 2.189 246 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 246 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 246 G C -0.141 174.766 174.900 0.011 0.000 0.975 246 G CA 0.432 45.547 45.100 0.024 0.000 0.644 246 G HN 0.612 nan 8.290 nan 0.000 0.537 247 D N 0.388 120.799 120.400 0.017 0.000 2.427 247 D HA 0.481 5.121 4.640 -0.000 0.000 0.226 247 D C 1.718 178.022 176.300 0.007 0.000 1.076 247 D CA -0.751 53.256 54.000 0.011 0.000 0.849 247 D CB 0.286 41.096 40.800 0.016 0.000 1.052 247 D HN 0.107 nan 8.370 nan 0.000 0.515 248 L N 3.092 124.313 121.223 -0.003 0.000 2.465 248 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 248 L C 1.683 178.555 176.870 0.004 0.000 1.145 248 L CA 0.280 55.117 54.840 -0.005 0.000 0.834 248 L CB -0.319 41.731 42.059 -0.014 0.000 0.944 248 L HN 0.342 nan 8.230 nan 0.000 0.451 249 N N 0.135 118.839 118.700 0.007 0.000 2.409 249 N HA -0.072 4.668 4.740 -0.000 0.000 0.179 249 N C 0.627 176.142 175.510 0.008 0.000 1.032 249 N CA 0.708 53.764 53.050 0.009 0.000 0.898 249 N CB 0.207 38.700 38.487 0.011 0.000 0.971 249 N HN 0.333 nan 8.380 nan 0.000 0.441 250 T N -2.796 111.762 114.554 0.008 0.000 2.859 250 T HA 0.524 4.874 4.350 -0.000 0.000 0.281 250 T C -0.216 174.479 174.700 -0.009 0.000 1.005 250 T CA -0.792 61.305 62.100 -0.005 0.000 1.025 250 T CB 1.768 70.639 68.868 0.004 0.000 0.977 250 T HN -0.148 nan 8.240 nan 0.000 0.458 251 T N 2.915 117.441 114.554 -0.046 0.000 2.794 251 T HA 0.521 4.871 4.350 -0.000 0.000 0.280 251 T C -0.444 174.171 174.700 -0.142 0.000 0.987 251 T CA -0.620 61.464 62.100 -0.026 0.000 0.993 251 T CB 1.292 70.177 68.868 0.028 0.000 0.939 251 T HN 0.656 nan 8.240 nan 0.000 0.449 252 E N 1.505 121.704 120.200 -0.002 0.000 2.214 252 E HA 0.498 4.848 4.350 -0.000 0.000 0.274 252 E C -1.072 175.599 176.600 0.119 0.000 0.977 252 E CA -0.556 55.834 56.400 -0.017 0.000 0.827 252 E CB 0.722 30.555 29.700 0.223 0.000 1.130 252 E HN 0.441 nan 8.360 nan 0.000 0.394 253 Y N 0.169 120.514 120.300 0.076 0.000 2.387 253 Y HA 0.483 5.032 4.550 -0.000 0.000 0.336 253 Y C -0.156 175.731 175.900 -0.023 0.000 1.067 253 Y CA -1.385 56.733 58.100 0.030 0.000 1.114 253 Y CB 1.042 39.520 38.460 0.030 0.000 1.208 253 Y HN 0.143 nan 8.280 nan 0.000 0.458 254 V N 4.021 123.995 119.914 0.100 0.000 2.417 254 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 254 V C -0.529 175.484 176.094 -0.136 0.000 1.024 254 V CA -0.850 61.413 62.300 -0.063 0.000 0.861 254 V CB 1.497 33.267 31.823 -0.090 0.000 0.985 254 V HN 0.519 nan 8.190 nan 0.000 0.436 255 V N 3.496 123.273 119.914 -0.229 0.000 2.531 255 V HA 0.688 4.808 4.120 -0.000 0.000 0.301 255 V C 0.608 176.488 176.094 -0.356 0.000 1.034 255 V CA -0.487 61.563 62.300 -0.417 0.000 0.865 255 V CB 1.953 33.240 31.823 -0.892 0.000 0.995 255 V HN 0.946 nan 8.190 nan 0.000 0.424 256 G N 2.955 111.599 108.800 -0.260 0.000 2.353 256 G HA2 0.588 4.548 3.960 -0.000 0.000 0.284 256 G HA3 0.588 4.548 3.960 -0.000 0.000 0.284 256 G C -0.083 174.761 174.900 -0.093 0.000 1.172 256 G CA -0.009 45.001 45.100 -0.150 0.000 0.854 256 G HN 1.167 nan 8.290 nan 0.000 0.485 257 A N 4.904 127.719 122.820 -0.008 0.000 2.842 257 A HA 0.650 4.970 4.320 -0.000 0.000 0.339 257 A C -1.423 176.207 177.584 0.077 0.000 1.177 257 A CA -1.240 50.884 52.037 0.145 0.000 0.797 257 A CB 1.485 20.696 19.000 0.353 0.000 1.094 257 A HN 0.459 nan 8.150 nan 0.000 0.474 258 P HA -0.074 nan 4.420 nan 0.000 0.230 258 P C 0.926 177.973 177.300 -0.421 0.000 1.158 258 P CA 1.533 64.414 63.100 -0.365 0.000 0.769 258 P CB 0.041 31.206 31.700 -0.891 0.000 0.807 259 T N -7.071 107.325 114.554 -0.263 0.000 3.182 259 T HA 0.131 4.481 4.350 -0.000 0.000 0.277 259 T C -0.022 174.608 174.700 -0.117 0.000 1.013 259 T CA -0.753 61.211 62.100 -0.226 0.000 0.900 259 T CB -0.900 67.757 68.868 -0.351 0.000 1.098 259 T HN -0.048 nan 8.240 nan 0.000 0.543 260 W N 2.679 123.871 121.300 -0.181 0.000 2.231 260 W HA 0.375 5.035 4.660 -0.000 0.000 0.341 260 W C 0.696 177.100 176.519 -0.191 0.000 1.298 260 W CA 1.177 58.404 57.345 -0.196 0.000 1.266 260 W CB 0.200 29.573 29.460 -0.145 0.000 1.172 260 W HN 0.336 nan 8.180 nan 0.000 0.568 261 S N 6.777 121.804 115.700 -1.121 0.000 3.527 261 S HA -0.238 4.232 4.470 -0.000 0.000 0.409 261 S C 0.078 174.591 174.600 -0.145 0.000 0.900 261 S CA 0.733 58.401 58.200 -0.886 0.000 1.320 261 S CB -1.557 60.980 63.200 -1.105 0.000 0.915 261 S HN 1.006 nan 8.310 nan 0.000 0.575 262 W N 0.076 121.191 121.300 -0.309 0.000 5.361 262 W HA -0.342 4.318 4.660 -0.000 0.000 0.385 262 W C 1.265 177.717 176.519 -0.111 0.000 1.458 262 W CA 1.381 58.621 57.345 -0.176 0.000 0.922 262 W CB -3.028 26.335 29.460 -0.161 0.000 2.606 262 W HN 1.826 nan 8.180 nan 0.000 1.450 263 T N -4.490 110.062 114.554 -0.004 0.000 5.383 263 T HA -0.369 3.981 4.350 -0.000 0.000 0.279 263 T C 0.772 175.514 174.700 0.070 0.000 1.930 263 T CA 1.384 63.498 62.100 0.023 0.000 3.248 263 T CB -1.657 67.253 68.868 0.071 0.000 1.367 263 T HN 0.323 nan 8.240 nan 0.000 1.030 264 L N 1.627 122.899 121.223 0.082 0.000 2.056 264 L HA 0.489 4.829 4.340 -0.000 0.000 0.207 264 L C 1.614 178.556 176.870 0.120 0.000 1.078 264 L CA 2.959 57.859 54.840 0.101 0.000 0.749 264 L CB -0.898 41.227 42.059 0.110 0.000 0.901 264 L HN 1.686 nan 8.230 nan 0.000 0.433 265 G N -1.588 107.327 108.800 0.191 0.000 2.690 265 G HA2 0.387 4.347 3.960 -0.000 0.000 0.686 265 G HA3 0.387 4.347 3.960 -0.000 0.000 0.686 265 G C -0.699 174.369 174.900 0.280 0.000 1.277 265 G CA -0.326 44.911 45.100 0.228 0.000 0.799 265 G HN 1.154 nan 8.290 nan 0.000 0.613 266 A N -0.513 122.464 122.820 0.261 0.000 2.608 266 A HA 0.937 5.257 4.320 -0.000 0.000 0.292 266 A C -0.847 176.781 177.584 0.074 0.000 1.066 266 A CA 0.107 52.183 52.037 0.065 0.000 0.676 266 A CB 1.820 20.475 19.000 -0.574 0.000 1.277 266 A HN 2.144 nan 8.150 nan 0.000 0.413 267 V N 1.122 121.061 119.914 0.042 0.000 2.656 267 V HA 0.544 4.663 4.120 -0.000 0.000 0.307 267 V C -0.350 175.657 176.094 -0.145 0.000 1.051 267 V CA -0.416 61.824 62.300 -0.101 0.000 0.893 267 V CB 1.765 33.487 31.823 -0.168 0.000 0.999 267 V HN 0.924 nan 8.190 nan 0.000 0.426 268 E N 3.727 123.856 120.200 -0.119 0.000 2.212 268 E HA 0.620 4.970 4.350 -0.000 0.000 0.268 268 E C -1.270 175.295 176.600 -0.058 0.000 0.902 268 E CA -0.702 55.674 56.400 -0.039 0.000 0.779 268 E CB 2.823 32.620 29.700 0.163 0.000 1.172 268 E HN 0.523 nan 8.360 nan 0.000 0.409 269 I N 3.803 124.349 120.570 -0.041 0.000 2.377 269 I HA 0.357 4.527 4.170 -0.000 0.000 0.293 269 I C -0.609 175.541 176.117 0.055 0.000 0.987 269 I CA -0.444 60.827 61.300 -0.049 0.000 1.185 269 I CB 0.685 38.617 38.000 -0.113 0.000 1.341 269 I HN 0.235 nan 8.210 nan 0.000 0.455 270 L N 4.604 125.880 121.223 0.088 0.000 2.350 270 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 270 L C -0.653 176.215 176.870 -0.003 0.000 1.015 270 L CA -1.059 53.854 54.840 0.122 0.000 0.821 270 L CB 1.848 44.085 42.059 0.297 0.000 1.370 270 L HN 0.549 nan 8.230 nan 0.000 0.416 271 D N -0.812 119.577 120.400 -0.018 0.000 2.433 271 D HA 0.082 4.722 4.640 -0.000 0.000 0.255 271 D C 0.928 177.005 176.300 -0.372 0.000 1.226 271 D CA -0.192 53.731 54.000 -0.129 0.000 1.015 271 D CB 0.768 41.572 40.800 0.007 0.000 1.091 271 D HN 0.515 nan 8.370 nan 0.000 0.527 272 S N -1.614 113.784 115.700 -0.505 0.000 2.561 272 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 272 S C 1.195 175.356 174.600 -0.732 0.000 0.977 272 S CA 0.097 57.812 58.200 -0.808 0.000 0.926 272 S CB -0.773 62.052 63.200 -0.624 0.000 0.769 272 S HN 0.515 nan 8.310 nan 0.000 0.533 273 Y N 0.278 120.389 120.300 -0.316 0.000 2.490 273 Y HA 0.274 4.824 4.550 -0.000 0.000 0.281 273 Y C -0.098 175.833 175.900 0.053 0.000 1.174 273 Y CA -0.662 57.356 58.100 -0.137 0.000 1.295 273 Y CB -0.656 37.815 38.460 0.018 0.000 1.062 273 Y HN 0.206 nan 8.280 nan 0.000 0.522 274 Y N -1.523 118.940 120.300 0.271 0.000 4.569 274 Y HA -0.298 4.252 4.550 -0.000 0.000 0.237 274 Y C 0.198 176.289 175.900 0.318 0.000 1.090 274 Y CA -0.440 57.850 58.100 0.316 0.000 2.052 274 Y CB -2.601 36.027 38.460 0.281 0.000 1.621 274 Y HN 0.239 nan 8.280 nan 0.000 0.682 275 Q N 1.046 121.042 119.800 0.327 0.000 2.286 275 Q HA 0.254 4.594 4.340 -0.000 0.000 0.257 275 Q C 0.664 176.764 176.000 0.166 0.000 0.941 275 Q CA -0.647 55.283 55.803 0.213 0.000 0.912 275 Q CB 1.104 29.915 28.738 0.120 0.000 1.192 275 Q HN 0.310 nan 8.270 nan 0.000 0.410 276 R N 2.930 123.519 120.500 0.149 0.000 2.449 276 R HA 0.042 4.382 4.340 -0.000 0.000 0.296 276 R C 0.521 176.826 176.300 0.008 0.000 1.047 276 R CA 0.187 56.354 56.100 0.112 0.000 1.018 276 R CB 0.339 30.710 30.300 0.119 0.000 0.962 276 R HN 0.694 nan 8.270 nan 0.000 0.428 277 L N 2.765 123.954 121.223 -0.057 0.000 2.362 277 L HA 0.214 4.554 4.340 -0.000 0.000 0.204 277 L C 0.147 176.706 176.870 -0.518 0.000 1.060 277 L CA 0.240 54.918 54.840 -0.270 0.000 0.827 277 L CB 0.076 41.978 42.059 -0.262 0.000 1.027 277 L HN 0.694 nan 8.230 nan 0.000 0.474 278 H N -1.213 117.838 119.070 -0.032 0.000 2.961 278 H HA 0.573 5.129 4.556 -0.000 0.000 0.371 278 H C -1.012 174.257 175.328 -0.099 0.000 1.190 278 H CA -0.721 55.283 56.048 -0.074 0.000 1.138 278 H CB 2.122 31.806 29.762 -0.129 0.000 1.816 278 H HN -0.155 nan 8.280 nan 0.000 0.551 279 R N 2.130 122.632 120.500 0.003 0.000 2.575 279 R HA 0.497 4.837 4.340 -0.000 0.000 0.293 279 R C -1.799 174.406 176.300 -0.159 0.000 0.983 279 R CA -0.781 55.248 56.100 -0.119 0.000 0.887 279 R CB 1.108 31.297 30.300 -0.186 0.000 1.184 279 R HN 0.567 nan 8.270 nan 0.000 0.445 280 L N 4.929 126.028 121.223 -0.206 0.000 2.298 280 L HA 0.561 4.901 4.340 -0.000 0.000 0.284 280 L C 0.022 176.784 176.870 -0.179 0.000 1.013 280 L CA -0.742 53.972 54.840 -0.210 0.000 0.824 280 L CB 1.723 43.586 42.059 -0.328 0.000 1.221 280 L HN 0.500 nan 8.230 nan 0.000 0.418 281 R N 1.425 121.764 120.500 -0.269 0.000 2.457 281 R HA 0.508 4.848 4.340 -0.000 0.000 0.284 281 R C 0.497 176.282 176.300 -0.858 0.000 1.024 281 R CA -0.583 55.310 56.100 -0.346 0.000 1.025 281 R CB 1.071 31.294 30.300 -0.129 0.000 1.063 281 R HN 0.750 nan 8.270 nan 0.000 0.493 282 G N 0.268 108.483 108.800 -0.975 0.000 2.636 282 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.246 282 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.246 282 G C 0.191 174.778 174.900 -0.522 0.000 1.216 282 G CA -0.269 44.081 45.100 -1.249 0.000 0.854 282 G HN 0.820 nan 8.290 nan 0.000 0.572 283 E N -1.065 118.954 120.200 -0.302 0.000 2.251 283 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 283 E C 0.793 177.469 176.600 0.126 0.000 0.964 283 E CA 0.207 56.602 56.400 -0.007 0.000 0.868 283 E CB 0.179 29.979 29.700 0.167 0.000 0.828 283 E HN 0.505 nan 8.360 nan 0.000 0.481 284 Q N 0.671 120.583 119.800 0.187 0.000 2.289 284 Q HA 0.276 4.616 4.340 -0.000 0.000 0.270 284 Q C -1.228 174.871 176.000 0.164 0.000 1.038 284 Q CA -0.562 55.358 55.803 0.195 0.000 0.812 284 Q CB 1.604 30.507 28.738 0.274 0.000 1.300 284 Q HN 0.076 nan 8.270 nan 0.000 0.427 285 M N 2.468 122.138 119.600 0.116 0.000 2.249 285 M HA 0.142 4.622 4.480 -0.000 0.000 0.340 285 M C 0.957 177.344 176.300 0.145 0.000 1.166 285 M CA 1.587 56.957 55.300 0.116 0.000 1.115 285 M CB 0.559 33.212 32.600 0.088 0.000 1.606 285 M HN 1.010 nan 8.290 nan 0.000 0.448 286 A N 0.813 123.735 122.820 0.171 0.000 3.413 286 A HA -0.216 4.104 4.320 -0.000 0.000 0.268 286 A C 1.532 179.298 177.584 0.303 0.000 1.128 286 A CA 1.394 53.570 52.037 0.232 0.000 1.062 286 A CB -2.582 16.528 19.000 0.183 0.000 1.121 286 A HN 1.033 nan 8.150 nan 0.000 0.895 287 S N -2.491 113.390 115.700 0.302 0.000 2.515 287 S HA 0.095 4.565 4.470 -0.000 0.000 0.231 287 S C 0.761 175.636 174.600 0.458 0.000 0.987 287 S CA 1.264 59.689 58.200 0.376 0.000 0.936 287 S CB -0.468 63.011 63.200 0.465 0.000 0.766 287 S HN 1.686 nan 8.310 nan 0.000 0.528 288 Y N -0.381 120.061 120.300 0.235 0.000 3.689 288 Y HA -0.224 4.326 4.550 -0.000 0.000 0.221 288 Y C 0.071 176.116 175.900 0.242 0.000 1.247 288 Y CA 0.015 58.235 58.100 0.201 0.000 1.671 288 Y CB -2.535 36.021 38.460 0.161 0.000 1.521 288 Y HN 0.555 nan 8.280 nan 0.000 0.632 289 F N 1.268 121.303 119.950 0.141 0.000 2.569 289 F HA 0.325 4.852 4.527 -0.000 0.000 0.395 289 F C 1.299 177.108 175.800 0.014 0.000 1.028 289 F CA 1.848 59.900 58.000 0.086 0.000 1.158 289 F CB 0.226 39.233 39.000 0.011 0.000 1.023 289 F HN 0.391 nan 8.300 nan 0.000 0.547 290 G N 4.207 112.832 108.800 -0.290 0.000 2.184 290 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.206 290 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.206 290 G C 1.263 176.152 174.900 -0.018 0.000 0.995 290 G CA 0.197 45.184 45.100 -0.189 0.000 0.651 290 G HN 0.807 nan 8.290 nan 0.000 0.511 291 H N 0.774 119.849 119.070 0.007 0.000 2.352 291 H HA 0.096 4.652 4.556 -0.000 0.000 0.299 291 H C 0.603 176.028 175.328 0.161 0.000 1.097 291 H CA 2.141 58.286 56.048 0.160 0.000 1.311 291 H CB 0.226 30.143 29.762 0.258 0.000 1.377 291 H HN 0.401 nan 8.280 nan 0.000 0.504 292 S N -0.074 115.733 115.700 0.177 0.000 2.548 292 S HA 0.508 4.978 4.470 -0.000 0.000 0.286 292 S C -0.865 173.720 174.600 -0.025 0.000 1.098 292 S CA -0.373 57.865 58.200 0.064 0.000 0.930 292 S CB 2.854 66.117 63.200 0.105 0.000 1.070 292 S HN 0.315 nan 8.310 nan 0.000 0.480 293 V N -1.043 118.845 119.914 -0.045 0.000 2.888 293 V HA 1.051 5.171 4.120 -0.000 0.000 0.309 293 V C -0.666 175.407 176.094 -0.035 0.000 1.114 293 V CA -0.913 61.351 62.300 -0.060 0.000 0.940 293 V CB 1.115 32.885 31.823 -0.089 0.000 1.021 293 V HN 1.149 nan 8.190 nan 0.000 0.426 294 A N 3.156 125.967 122.820 -0.013 0.000 2.475 294 A HA 0.959 5.279 4.320 -0.000 0.000 0.301 294 A C -1.127 176.475 177.584 0.030 0.000 1.059 294 A CA -0.758 51.279 52.037 0.001 0.000 0.710 294 A CB 2.280 21.279 19.000 -0.000 0.000 1.288 294 A HN 1.561 nan 8.150 nan 0.000 0.408 295 V N 1.041 120.960 119.914 0.009 0.000 2.531 295 V HA 0.870 4.990 4.120 -0.000 0.000 0.301 295 V C -0.116 175.917 176.094 -0.102 0.000 1.034 295 V CA -0.114 62.180 62.300 -0.011 0.000 0.865 295 V CB 1.535 33.329 31.823 -0.048 0.000 0.995 295 V HN 1.179 nan 8.190 nan 0.000 0.424 296 T N 2.266 116.805 114.554 -0.026 0.000 3.128 296 T HA 0.229 4.579 4.350 -0.000 0.000 0.363 296 T C -1.977 172.822 174.700 0.164 0.000 1.610 296 T CA -0.596 61.540 62.100 0.060 0.000 1.126 296 T CB 1.619 70.524 68.868 0.061 0.000 1.416 296 T HN 0.811 nan 8.240 nan 0.000 0.480 297 D N 2.662 123.200 120.400 0.231 0.000 2.336 297 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 297 D C 1.475 177.855 176.300 0.134 0.000 1.213 297 D CA 0.012 54.106 54.000 0.158 0.000 0.870 297 D CB 0.983 41.842 40.800 0.098 0.000 1.076 297 D HN 0.417 nan 8.370 nan 0.000 0.483 298 V N 1.824 121.815 119.914 0.128 0.000 3.565 298 V HA 0.143 4.263 4.120 -0.000 0.000 0.260 298 V C 1.039 177.230 176.094 0.161 0.000 1.231 298 V CA 0.528 62.905 62.300 0.129 0.000 1.100 298 V CB -0.398 31.477 31.823 0.086 0.000 0.807 298 V HN 0.560 nan 8.190 nan 0.000 0.454 299 N N 0.858 119.654 118.700 0.161 0.000 2.238 299 N HA 0.269 5.009 4.740 -0.000 0.000 0.222 299 N C 1.351 177.070 175.510 0.349 0.000 1.133 299 N CA 0.338 53.500 53.050 0.186 0.000 0.854 299 N CB 0.409 38.942 38.487 0.077 0.000 1.041 299 N HN 0.801 nan 8.380 nan 0.000 0.510 300 G N 1.604 110.583 108.800 0.297 0.000 2.155 300 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 300 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 300 G C 0.340 175.271 174.900 0.052 0.000 0.983 300 G CA 0.630 45.807 45.100 0.128 0.000 0.676 300 G HN 0.636 nan 8.290 nan 0.000 0.528 301 D N -0.490 119.949 120.400 0.065 0.000 2.339 301 D HA 0.363 5.003 4.640 -0.000 0.000 0.217 301 D C 1.813 178.106 176.300 -0.010 0.000 1.050 301 D CA 0.659 54.676 54.000 0.028 0.000 0.856 301 D CB -0.562 40.262 40.800 0.040 0.000 0.922 301 D HN 1.539 nan 8.370 nan 0.000 0.518 302 G N 0.418 109.201 108.800 -0.028 0.000 2.179 302 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 302 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 302 G C 0.120 174.941 174.900 -0.132 0.000 0.977 302 G CA -0.126 44.928 45.100 -0.078 0.000 0.641 302 G HN 0.445 nan 8.290 nan 0.000 0.533 303 R N 0.262 120.707 120.500 -0.092 0.000 2.343 303 R HA 0.419 4.759 4.340 -0.000 0.000 0.320 303 R C -0.122 176.126 176.300 -0.087 0.000 0.956 303 R CA -0.804 55.221 56.100 -0.124 0.000 0.836 303 R CB 0.804 31.077 30.300 -0.045 0.000 1.151 303 R HN 0.538 nan 8.270 nan 0.000 0.450 304 H N 1.633 120.578 119.070 -0.208 0.000 3.064 304 H HA -0.039 4.516 4.556 -0.000 0.000 0.329 304 H C -0.171 175.095 175.328 -0.104 0.000 1.020 304 H CA 0.285 56.188 56.048 -0.241 0.000 1.402 304 H CB 0.651 30.085 29.762 -0.547 0.000 1.379 304 H HN 0.403 nan 8.280 nan 0.000 0.594 305 D N 2.057 122.579 120.400 0.204 0.000 2.326 305 D HA 0.265 4.905 4.640 -0.000 0.000 0.248 305 D C -0.611 175.884 176.300 0.324 0.000 1.001 305 D CA -0.701 53.456 54.000 0.262 0.000 0.961 305 D CB 2.332 43.239 40.800 0.178 0.000 1.183 305 D HN 0.124 nan 8.370 nan 0.000 0.502 306 L N 0.709 122.132 121.223 0.332 0.000 2.362 306 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 306 L C -1.691 175.336 176.870 0.261 0.000 0.998 306 L CA -0.467 54.535 54.840 0.269 0.000 0.820 306 L CB 1.327 43.478 42.059 0.154 0.000 1.270 306 L HN 0.263 nan 8.230 nan 0.000 0.415 307 L N 5.539 126.857 121.223 0.158 0.000 2.341 307 L HA 0.759 5.099 4.340 -0.000 0.000 0.278 307 L C -0.901 176.011 176.870 0.071 0.000 1.005 307 L CA -0.641 54.271 54.840 0.121 0.000 0.818 307 L CB 2.108 44.193 42.059 0.043 0.000 1.259 307 L HN 0.343 nan 8.230 nan 0.000 0.418 308 V N 1.394 121.362 119.914 0.091 0.000 2.656 308 V HA 0.719 4.839 4.120 -0.000 0.000 0.307 308 V C 0.285 176.371 176.094 -0.012 0.000 1.051 308 V CA -0.629 61.622 62.300 -0.083 0.000 0.893 308 V CB 1.910 33.509 31.823 -0.374 0.000 0.999 308 V HN 0.819 nan 8.190 nan 0.000 0.426 309 G N 2.377 111.145 108.800 -0.054 0.000 2.356 309 G HA2 0.636 4.596 3.960 -0.000 0.000 0.322 309 G HA3 0.636 4.596 3.960 -0.000 0.000 0.322 309 G C -0.325 174.639 174.900 0.106 0.000 1.125 309 G CA -0.216 44.910 45.100 0.044 0.000 0.885 309 G HN 1.155 nan 8.290 nan 0.000 0.467 310 A N 4.364 127.341 122.820 0.262 0.000 2.978 310 A HA 0.654 4.974 4.320 -0.000 0.000 0.341 310 A C -1.516 176.277 177.584 0.348 0.000 1.105 310 A CA -1.250 51.014 52.037 0.379 0.000 0.819 310 A CB 1.441 20.814 19.000 0.622 0.000 1.080 310 A HN 0.442 nan 8.150 nan 0.000 0.476 311 P HA -0.039 nan 4.420 nan 0.000 0.230 311 P C 0.584 178.023 177.300 0.231 0.000 1.158 311 P CA 0.788 63.995 63.100 0.179 0.000 0.769 311 P CB 0.254 31.940 31.700 -0.023 0.000 0.807 312 L N -2.024 119.362 121.223 0.271 0.000 2.910 312 L HA 0.255 4.595 4.340 -0.000 0.000 0.252 312 L C 0.628 177.660 176.870 0.269 0.000 1.195 312 L CA -0.906 54.083 54.840 0.248 0.000 1.003 312 L CB -0.402 41.784 42.059 0.213 0.000 1.328 312 L HN -0.102 nan 8.230 nan 0.000 0.540 313 Y N 2.240 122.672 120.300 0.219 0.000 2.620 313 Y HA 0.092 4.641 4.550 -0.000 0.000 0.330 313 Y C 0.313 176.299 175.900 0.144 0.000 1.186 313 Y CA 0.349 58.571 58.100 0.203 0.000 1.467 313 Y CB 0.444 39.045 38.460 0.234 0.000 1.262 313 Y HN 0.054 nan 8.280 nan 0.000 0.550 314 M N 6.665 125.884 119.600 -0.635 0.000 2.088 314 M HA 0.212 4.692 4.480 -0.000 0.000 0.346 314 M C -0.462 175.421 176.300 -0.694 0.000 1.111 314 M CA -0.289 54.739 55.300 -0.454 0.000 1.017 314 M CB 1.261 33.715 32.600 -0.243 0.000 1.568 314 M HN 0.679 nan 8.290 nan 0.000 0.445 315 E N 1.806 121.847 120.200 -0.266 0.000 2.301 315 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 315 E C -0.747 175.821 176.600 -0.053 0.000 1.030 315 E CA -0.303 56.069 56.400 -0.045 0.000 0.852 315 E CB 1.173 30.931 29.700 0.096 0.000 1.060 315 E HN 0.583 nan 8.360 nan 0.000 0.401 316 S N 3.138 118.835 115.700 -0.005 0.000 2.549 316 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 316 S C -0.067 174.532 174.600 -0.002 0.000 1.321 316 S CA -0.245 57.951 58.200 -0.007 0.000 1.054 316 S CB 0.713 63.922 63.200 0.015 0.000 0.899 316 S HN 0.420 nan 8.310 nan 0.000 0.497 317 R N 0.396 120.889 120.500 -0.012 0.000 2.885 317 R HA 0.651 4.991 4.340 -0.000 0.000 0.260 317 R C -0.609 175.685 176.300 -0.009 0.000 1.107 317 R CA -1.122 54.971 56.100 -0.011 0.000 0.978 317 R CB 0.992 31.280 30.300 -0.020 0.000 1.227 317 R HN 0.649 nan 8.270 nan 0.000 0.473 318 A N 0.993 123.808 122.820 -0.008 0.000 2.561 318 A HA 0.094 4.414 4.320 -0.000 0.000 0.234 318 A C -0.386 177.195 177.584 -0.006 0.000 1.055 318 A CA 0.612 52.645 52.037 -0.006 0.000 0.756 318 A CB -0.317 18.679 19.000 -0.006 0.000 0.986 318 A HN 0.787 nan 8.150 nan 0.000 0.505 319 D N 0.241 120.639 120.400 -0.004 0.000 2.705 319 D HA -0.177 4.463 4.640 -0.000 0.000 0.240 319 D C 0.374 176.672 176.300 -0.004 0.000 1.137 319 D CA 1.578 55.576 54.000 -0.003 0.000 0.677 319 D CB -1.185 39.613 40.800 -0.003 0.000 1.049 319 D HN 0.813 nan 8.370 nan 0.000 0.427 320 R N -2.166 118.332 120.500 -0.004 0.000 3.641 320 R HA -0.256 4.084 4.340 -0.000 0.000 0.286 320 R C -0.000 176.294 176.300 -0.009 0.000 1.153 320 R CA 1.152 57.249 56.100 -0.005 0.000 0.775 320 R CB -1.174 29.124 30.300 -0.003 0.000 1.215 320 R HN 0.380 nan 8.270 nan 0.000 0.474 321 K N 0.705 121.098 120.400 -0.012 0.000 2.118 321 K HA 0.564 4.884 4.320 -0.000 0.000 0.254 321 K C -0.033 176.550 176.600 -0.028 0.000 0.961 321 K CA -0.657 55.619 56.287 -0.017 0.000 0.876 321 K CB 1.255 33.745 32.500 -0.017 0.000 1.077 321 K HN -0.056 nan 8.250 nan 0.000 0.440 322 L N 1.086 122.288 121.223 -0.036 0.000 2.362 322 L HA 0.592 4.931 4.340 -0.000 0.000 0.271 322 L C -0.827 176.004 176.870 -0.066 0.000 1.002 322 L CA -0.793 54.013 54.840 -0.057 0.000 0.818 322 L CB 2.095 44.117 42.059 -0.062 0.000 1.298 322 L HN 0.683 nan 8.230 nan 0.000 0.420 323 A N 1.943 124.711 122.820 -0.086 0.000 2.375 323 A HA 0.364 4.684 4.320 -0.000 0.000 0.291 323 A C -0.602 176.923 177.584 -0.098 0.000 1.160 323 A CA -0.496 51.477 52.037 -0.107 0.000 0.747 323 A CB 1.016 19.957 19.000 -0.099 0.000 1.170 323 A HN 0.714 nan 8.150 nan 0.000 0.458 324 E N 2.250 122.393 120.200 -0.095 0.000 2.292 324 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 324 E C 0.514 177.124 176.600 0.017 0.000 1.093 324 E CA 0.436 56.837 56.400 0.002 0.000 0.922 324 E CB 0.466 30.244 29.700 0.129 0.000 1.001 324 E HN 0.758 nan 8.360 nan 0.000 0.444 325 V N 1.287 121.257 119.914 0.094 0.000 3.408 325 V HA 0.444 4.564 4.120 -0.000 0.000 0.263 325 V C 0.642 176.876 176.094 0.234 0.000 1.503 325 V CA 0.404 62.778 62.300 0.123 0.000 1.046 325 V CB -0.018 31.840 31.823 0.058 0.000 0.851 325 V HN 0.812 nan 8.190 nan 0.000 0.435 326 G N 0.816 109.802 108.800 0.310 0.000 2.690 326 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 326 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 326 G C -0.701 174.447 174.900 0.413 0.000 1.277 326 G CA -0.093 45.244 45.100 0.394 0.000 0.799 326 G HN 0.927 nan 8.290 nan 0.000 0.613 327 R N -0.817 119.907 120.500 0.374 0.000 2.707 327 R HA 0.741 5.081 4.340 -0.000 0.000 0.272 327 R C -1.445 174.930 176.300 0.124 0.000 1.011 327 R CA -0.826 55.361 56.100 0.145 0.000 0.893 327 R CB 2.172 32.262 30.300 -0.350 0.000 1.233 327 R HN 0.912 nan 8.270 nan 0.000 0.464 328 V N 3.322 123.234 119.914 -0.004 0.000 2.588 328 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 328 V C -1.456 174.481 176.094 -0.262 0.000 1.042 328 V CA -0.658 61.613 62.300 -0.048 0.000 0.877 328 V CB 1.792 33.573 31.823 -0.070 0.000 0.996 328 V HN 0.630 nan 8.190 nan 0.000 0.425 329 Y N 4.544 124.811 120.300 -0.056 0.000 2.335 329 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 329 Y C -0.193 175.572 175.900 -0.224 0.000 0.977 329 Y CA -0.881 57.124 58.100 -0.159 0.000 1.114 329 Y CB 1.721 40.176 38.460 -0.009 0.000 1.182 329 Y HN 0.510 nan 8.280 nan 0.000 0.463 330 L N 4.832 125.912 121.223 -0.238 0.000 2.287 330 L HA 0.617 4.957 4.340 -0.000 0.000 0.287 330 L C -1.784 174.879 176.870 -0.346 0.000 1.022 330 L CA -0.631 54.107 54.840 -0.169 0.000 0.814 330 L CB 0.008 41.992 42.059 -0.126 0.000 1.217 330 L HN 0.395 nan 8.230 nan 0.000 0.420 331 F N 5.870 125.864 119.950 0.074 0.000 2.402 331 F HA 0.483 5.010 4.527 -0.000 0.000 0.355 331 F C -0.261 175.585 175.800 0.077 0.000 1.123 331 F CA -0.580 57.460 58.000 0.067 0.000 1.021 331 F CB 1.195 40.225 39.000 0.050 0.000 1.160 331 F HN 0.237 nan 8.300 nan 0.000 0.451 332 L N 3.375 124.714 121.223 0.194 0.000 2.305 332 L HA 0.330 4.670 4.340 -0.000 0.000 0.281 332 L C 0.234 177.202 176.870 0.165 0.000 1.085 332 L CA -0.551 54.380 54.840 0.151 0.000 0.813 332 L CB 1.198 43.309 42.059 0.085 0.000 1.157 332 L HN 0.610 nan 8.230 nan 0.000 0.436 333 Q N 5.804 125.705 119.800 0.168 0.000 2.296 333 Q HA 0.263 4.603 4.340 -0.000 0.000 0.262 333 Q C -2.259 173.805 176.000 0.107 0.000 0.981 333 Q CA -1.547 54.352 55.803 0.160 0.000 0.905 333 Q CB 1.207 30.048 28.738 0.173 0.000 1.186 333 Q HN 0.295 nan 8.270 nan 0.000 0.399 334 P HA 0.169 nan 4.420 nan 0.000 0.279 334 P C -1.051 176.301 177.300 0.087 0.000 1.276 334 P CA -0.461 62.680 63.100 0.068 0.000 0.801 334 P CB 0.876 32.603 31.700 0.045 0.000 1.127 335 R N -0.571 119.964 120.500 0.058 0.000 2.531 335 R HA 0.476 4.816 4.340 -0.000 0.000 0.273 335 R C 0.506 176.933 176.300 0.212 0.000 1.070 335 R CA 0.851 57.004 56.100 0.089 0.000 1.112 335 R CB -0.371 29.959 30.300 0.049 0.000 1.049 335 R HN 0.864 nan 8.270 nan 0.000 0.508 336 G N 3.061 111.979 108.800 0.196 0.000 2.796 336 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 336 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 336 G C -2.325 172.689 174.900 0.191 0.000 1.381 336 G CA -0.444 44.792 45.100 0.227 0.000 0.867 336 G HN 0.586 nan 8.290 nan 0.000 0.552 337 P HA 0.216 nan 4.420 nan 0.000 0.226 337 P C -0.319 176.858 177.300 -0.206 0.000 1.783 337 P CA 0.468 63.528 63.100 -0.066 0.000 0.980 337 P CB -0.569 31.072 31.700 -0.099 0.000 1.967 338 H N 0.246 119.381 119.070 0.107 0.000 2.621 338 H HA 0.619 5.175 4.556 -0.000 0.000 0.360 338 H C 0.389 175.825 175.328 0.180 0.000 1.163 338 H CA -0.711 55.405 56.048 0.113 0.000 1.194 338 H CB 1.548 31.361 29.762 0.086 0.000 1.649 338 H HN 0.211 nan 8.280 nan 0.000 0.532 339 A N 1.773 124.772 122.820 0.298 0.000 2.366 339 A HA 0.310 4.630 4.320 -0.000 0.000 0.249 339 A C -0.504 177.161 177.584 0.134 0.000 1.084 339 A CA -0.465 51.757 52.037 0.308 0.000 0.794 339 A CB 0.097 19.249 19.000 0.254 0.000 1.034 339 A HN 0.484 nan 8.150 nan 0.000 0.491 340 L N 1.557 122.722 121.223 -0.096 0.000 2.453 340 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 340 L C 1.260 178.164 176.870 0.056 0.000 1.182 340 L CA 1.331 56.128 54.840 -0.072 0.000 0.858 340 L CB 0.460 42.359 42.059 -0.268 0.000 1.120 340 L HN 0.890 nan 8.230 nan 0.000 0.474 341 G N 1.785 110.667 108.800 0.137 0.000 2.714 341 G HA2 0.616 4.576 3.960 -0.000 0.000 0.197 341 G HA3 0.616 4.576 3.960 -0.000 0.000 0.197 341 G C -0.363 174.685 174.900 0.246 0.000 1.449 341 G CA -0.055 45.136 45.100 0.152 0.000 1.065 341 G HN 0.876 nan 8.290 nan 0.000 0.575 342 A N -0.160 122.775 122.820 0.192 0.000 2.327 342 A HA 0.603 4.922 4.320 -0.000 0.000 0.255 342 A C -2.149 175.514 177.584 0.131 0.000 1.099 342 A CA -0.714 51.446 52.037 0.205 0.000 0.801 342 A CB -0.370 18.694 19.000 0.107 0.000 1.062 342 A HN 0.403 nan 8.150 nan 0.000 0.496 343 P HA 0.166 nan 4.420 nan 0.000 0.268 343 P C 0.357 177.537 177.300 -0.201 0.000 1.204 343 P CA 0.126 62.954 63.100 -0.453 0.000 0.768 343 P CB 0.821 32.265 31.700 -0.426 0.000 0.842 344 S N 1.548 117.136 115.700 -0.187 0.000 2.453 344 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 344 S C 0.549 175.079 174.600 -0.117 0.000 1.005 344 S CA 0.597 58.737 58.200 -0.099 0.000 0.949 344 S CB -0.341 62.824 63.200 -0.058 0.000 0.774 344 S HN 0.407 nan 8.310 nan 0.000 0.510 345 L N 0.451 121.570 121.223 -0.173 0.000 2.545 345 L HA 0.485 4.824 4.340 -0.000 0.000 0.258 345 L C -2.110 174.622 176.870 -0.230 0.000 0.942 345 L CA -0.451 54.288 54.840 -0.168 0.000 0.855 345 L CB 1.395 43.366 42.059 -0.147 0.000 1.374 345 L HN -0.011 nan 8.230 nan 0.000 0.411 346 L N 5.515 126.598 121.223 -0.233 0.000 2.305 346 L HA 0.567 4.906 4.340 -0.000 0.000 0.284 346 L C -0.944 175.762 176.870 -0.273 0.000 1.013 346 L CA -0.595 54.046 54.840 -0.331 0.000 0.819 346 L CB 1.568 43.419 42.059 -0.348 0.000 1.227 346 L HN 0.496 nan 8.230 nan 0.000 0.417 347 L N 3.239 124.301 121.223 -0.268 0.000 2.295 347 L HA 0.592 4.932 4.340 -0.000 0.000 0.285 347 L C -0.163 176.587 176.870 -0.200 0.000 1.035 347 L CA -0.209 54.512 54.840 -0.199 0.000 0.806 347 L CB 1.850 43.818 42.059 -0.152 0.000 1.214 347 L HN 0.560 nan 8.230 nan 0.000 0.426 348 T N 1.251 115.588 114.554 -0.363 0.000 2.861 348 T HA 0.473 4.823 4.350 -0.000 0.000 0.287 348 T C 0.351 174.648 174.700 -0.671 0.000 1.003 348 T CA -0.602 61.274 62.100 -0.373 0.000 0.977 348 T CB 1.865 70.625 68.868 -0.180 0.000 0.996 348 T HN 0.712 nan 8.240 nan 0.000 0.448 349 G N 0.710 109.137 108.800 -0.623 0.000 2.636 349 G HA2 0.389 4.349 3.960 -0.000 0.000 0.246 349 G HA3 0.389 4.349 3.960 -0.000 0.000 0.246 349 G C 0.961 175.734 174.900 -0.211 0.000 1.216 349 G CA 0.092 44.888 45.100 -0.506 0.000 0.854 349 G HN 0.829 nan 8.290 nan 0.000 0.572 350 T N -2.916 111.562 114.554 -0.126 0.000 2.959 350 T HA 0.193 4.543 4.350 -0.000 0.000 0.254 350 T C 0.780 175.469 174.700 -0.018 0.000 1.003 350 T CA 0.030 62.093 62.100 -0.063 0.000 0.950 350 T CB 0.300 69.135 68.868 -0.054 0.000 1.090 350 T HN 0.410 nan 8.240 nan 0.000 0.503 351 Q N 1.731 121.543 119.800 0.019 0.000 2.278 351 Q HA 0.554 4.894 4.340 -0.000 0.000 0.257 351 Q C -0.732 175.283 176.000 0.025 0.000 0.928 351 Q CA -0.954 54.872 55.803 0.039 0.000 0.932 351 Q CB 1.093 29.886 28.738 0.092 0.000 1.221 351 Q HN 0.406 nan 8.270 nan 0.000 0.434 352 L N 5.766 126.955 121.223 -0.057 0.000 2.601 352 L HA -0.018 4.322 4.340 -0.000 0.000 0.277 352 L C -0.706 176.096 176.870 -0.114 0.000 1.219 352 L CA 1.154 55.857 54.840 -0.229 0.000 0.915 352 L CB -0.433 41.391 42.059 -0.393 0.000 1.160 352 L HN 0.807 nan 8.230 nan 0.000 0.494 353 Y N 1.503 121.857 120.300 0.090 0.000 4.490 353 Y HA -0.223 4.327 4.550 -0.000 0.000 0.233 353 Y C 1.635 177.641 175.900 0.176 0.000 1.101 353 Y CA 0.848 59.007 58.100 0.098 0.000 2.010 353 Y CB -2.229 36.258 38.460 0.043 0.000 1.622 353 Y HN 0.676 nan 8.280 nan 0.000 0.675 354 G N -0.231 108.754 108.800 0.308 0.000 2.572 354 G HA2 0.003 3.963 3.960 -0.000 0.000 0.216 354 G HA3 0.003 3.963 3.960 -0.000 0.000 0.216 354 G C 0.866 175.982 174.900 0.359 0.000 1.133 354 G CA 0.328 45.628 45.100 0.333 0.000 0.791 354 G HN 0.432 nan 8.290 nan 0.000 0.538 355 R N -1.403 119.296 120.500 0.332 0.000 3.336 355 R HA -0.192 4.148 4.340 -0.000 0.000 0.260 355 R C -0.316 176.134 176.300 0.249 0.000 1.032 355 R CA 0.116 56.384 56.100 0.281 0.000 0.693 355 R CB -2.331 28.150 30.300 0.301 0.000 1.134 355 R HN 0.395 nan 8.270 nan 0.000 0.433 356 F N 0.792 120.822 119.950 0.133 0.000 2.543 356 F HA 0.299 4.826 4.527 -0.000 0.000 0.375 356 F C 1.497 177.348 175.800 0.085 0.000 1.075 356 F CA 1.585 59.650 58.000 0.107 0.000 1.225 356 F CB 0.812 39.876 39.000 0.108 0.000 1.099 356 F HN 0.379 nan 8.300 nan 0.000 0.561 357 G N 3.313 111.830 108.800 -0.471 0.000 2.131 357 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.223 357 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.223 357 G C 0.943 175.780 174.900 -0.105 0.000 0.990 357 G CA 0.446 45.371 45.100 -0.291 0.000 0.671 357 G HN 0.972 nan 8.290 nan 0.000 0.521 358 S N -0.782 114.853 115.700 -0.108 0.000 2.414 358 S HA 0.598 5.068 4.470 -0.000 0.000 0.227 358 S C 1.251 175.841 174.600 -0.018 0.000 1.022 358 S CA 1.850 59.989 58.200 -0.102 0.000 0.958 358 S CB -0.028 63.139 63.200 -0.055 0.000 0.797 358 S HN 1.964 nan 8.310 nan 0.000 0.493 359 A N 0.364 123.124 122.820 -0.101 0.000 2.449 359 A HA 0.762 5.082 4.320 -0.000 0.000 0.302 359 A C -1.257 176.253 177.584 -0.123 0.000 1.048 359 A CA -0.717 51.248 52.037 -0.119 0.000 0.708 359 A CB 1.137 20.028 19.000 -0.182 0.000 1.274 359 A HN 0.405 nan 8.150 nan 0.000 0.410 360 I N 1.344 121.859 120.570 -0.092 0.000 2.478 360 I HA 0.593 4.762 4.170 -0.000 0.000 0.287 360 I C 0.087 176.179 176.117 -0.042 0.000 1.042 360 I CA -0.468 60.787 61.300 -0.075 0.000 1.067 360 I CB 2.149 40.108 38.000 -0.068 0.000 1.233 360 I HN 0.733 nan 8.210 nan 0.000 0.431 361 A N 7.528 130.337 122.820 -0.019 0.000 2.319 361 A HA 0.826 5.146 4.320 -0.000 0.000 0.310 361 A C -2.756 174.848 177.584 0.033 0.000 1.152 361 A CA -1.727 50.313 52.037 0.006 0.000 0.783 361 A CB 0.808 19.813 19.000 0.009 0.000 1.184 361 A HN 0.343 nan 8.150 nan 0.000 0.474 362 P HA 0.150 nan 4.420 nan 0.000 0.267 362 P C 0.304 177.641 177.300 0.061 0.000 1.205 362 P CA 0.173 63.303 63.100 0.050 0.000 0.765 362 P CB 0.544 32.269 31.700 0.040 0.000 0.828 363 L N 2.042 123.303 121.223 0.064 0.000 2.585 363 L HA 0.240 4.580 4.340 -0.000 0.000 0.226 363 L C 1.466 178.362 176.870 0.043 0.000 1.113 363 L CA 0.399 55.276 54.840 0.062 0.000 0.876 363 L CB -0.648 41.450 42.059 0.066 0.000 1.072 363 L HN 0.683 nan 8.230 nan 0.000 0.468 364 G N 0.878 109.703 108.800 0.041 0.000 2.569 364 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.259 364 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.259 364 G C -0.381 174.542 174.900 0.038 0.000 1.263 364 G CA -0.046 45.070 45.100 0.026 0.000 0.928 364 G HN 0.251 nan 8.290 nan 0.000 0.572 365 D N 0.576 120.986 120.400 0.018 0.000 2.479 365 D HA 0.430 5.070 4.640 -0.000 0.000 0.218 365 D C 1.481 177.803 176.300 0.038 0.000 1.131 365 D CA -0.488 53.530 54.000 0.029 0.000 0.916 365 D CB 0.893 41.690 40.800 -0.004 0.000 1.022 365 D HN 0.392 nan 8.370 nan 0.000 0.515 366 L N 3.612 124.879 121.223 0.074 0.000 2.093 366 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 366 L C 1.406 178.383 176.870 0.178 0.000 1.085 366 L CA 1.772 56.679 54.840 0.111 0.000 0.755 366 L CB -0.042 42.071 42.059 0.090 0.000 0.904 366 L HN 0.403 nan 8.230 nan 0.000 0.435 367 D N -1.845 118.639 120.400 0.141 0.000 2.369 367 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 367 D C 0.537 176.918 176.300 0.135 0.000 1.077 367 D CA -0.243 53.858 54.000 0.169 0.000 0.842 367 D CB -0.181 40.690 40.800 0.118 0.000 0.947 367 D HN 0.288 nan 8.370 nan 0.000 0.509 368 R N 0.806 121.337 120.500 0.051 0.000 3.422 368 R HA -0.139 4.201 4.340 -0.000 0.000 0.267 368 R C -0.151 176.145 176.300 -0.006 0.000 1.074 368 R CA 1.028 57.107 56.100 -0.035 0.000 0.718 368 R CB -1.678 28.534 30.300 -0.147 0.000 1.157 368 R HN 0.409 nan 8.270 nan 0.000 0.440 369 D N -1.364 119.053 120.400 0.028 0.000 2.369 369 D HA 0.119 4.759 4.640 -0.000 0.000 0.211 369 D C 1.292 177.563 176.300 -0.048 0.000 1.077 369 D CA 0.817 54.838 54.000 0.034 0.000 0.842 369 D CB 0.461 41.328 40.800 0.112 0.000 0.947 369 D HN 0.407 nan 8.370 nan 0.000 0.509 370 G N -0.497 108.243 108.800 -0.100 0.000 2.238 370 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 370 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 370 G C -0.293 174.397 174.900 -0.350 0.000 0.996 370 G CA -0.220 44.726 45.100 -0.258 0.000 0.632 370 G HN 0.354 nan 8.290 nan 0.000 0.503 371 Y N 1.719 122.025 120.300 0.011 0.000 2.341 371 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 371 Y C 0.573 176.489 175.900 0.026 0.000 1.014 371 Y CA -1.187 56.925 58.100 0.020 0.000 1.111 371 Y CB 1.083 39.559 38.460 0.027 0.000 1.194 371 Y HN 0.013 nan 8.280 nan 0.000 0.462 372 N N 2.898 121.706 118.700 0.180 0.000 2.444 372 N HA 0.104 4.844 4.740 -0.000 0.000 0.255 372 N C -0.846 174.743 175.510 0.131 0.000 1.255 372 N CA 0.115 53.238 53.050 0.123 0.000 0.933 372 N CB 0.630 39.177 38.487 0.100 0.000 1.143 372 N HN 0.626 nan 8.380 nan 0.000 0.453 373 D N 0.048 120.512 120.400 0.106 0.000 2.497 373 D HA 0.587 5.227 4.640 -0.000 0.000 0.243 373 D C 0.215 176.577 176.300 0.104 0.000 1.039 373 D CA -0.337 53.729 54.000 0.111 0.000 1.052 373 D CB 1.884 42.745 40.800 0.101 0.000 1.344 373 D HN 0.482 nan 8.370 nan 0.000 0.553 374 I N -3.231 117.417 120.570 0.130 0.000 3.074 374 I HA 0.842 5.011 4.170 -0.000 0.000 0.310 374 I C -1.452 174.756 176.117 0.151 0.000 1.153 374 I CA -1.135 60.238 61.300 0.122 0.000 0.993 374 I CB 2.357 40.421 38.000 0.106 0.000 1.237 374 I HN 0.340 nan 8.210 nan 0.000 0.443 375 A N 3.353 126.234 122.820 0.103 0.000 2.355 375 A HA 0.843 5.163 4.320 -0.000 0.000 0.317 375 A C -1.065 176.553 177.584 0.058 0.000 1.094 375 A CA -0.658 51.429 52.037 0.082 0.000 0.764 375 A CB 1.679 20.687 19.000 0.013 0.000 1.230 375 A HN 0.589 nan 8.150 nan 0.000 0.448 376 V N 1.577 121.541 119.914 0.084 0.000 2.540 376 V HA 0.689 4.809 4.120 -0.000 0.000 0.302 376 V C 0.489 176.522 176.094 -0.102 0.000 1.035 376 V CA -0.428 61.825 62.300 -0.079 0.000 0.873 376 V CB 1.472 33.170 31.823 -0.208 0.000 0.992 376 V HN 1.226 nan 8.190 nan 0.000 0.428 377 A N 3.567 126.292 122.820 -0.158 0.000 2.310 377 A HA 0.866 5.186 4.320 -0.000 0.000 0.299 377 A C 0.248 177.798 177.584 -0.056 0.000 1.147 377 A CA -0.152 51.826 52.037 -0.099 0.000 0.818 377 A CB 1.086 20.008 19.000 -0.130 0.000 1.096 377 A HN 1.457 nan 8.150 nan 0.000 0.495 378 A N 3.945 126.814 122.820 0.082 0.000 2.709 378 A HA 0.655 4.975 4.320 -0.000 0.000 0.332 378 A C -2.202 175.459 177.584 0.128 0.000 1.241 378 A CA -1.331 50.812 52.037 0.177 0.000 0.782 378 A CB 0.508 19.704 19.000 0.327 0.000 1.109 378 A HN 0.467 nan 8.150 nan 0.000 0.472 379 P HA -0.104 nan 4.420 nan 0.000 0.225 379 P C -0.110 176.895 177.300 -0.493 0.000 1.148 379 P CA 1.525 64.495 63.100 -0.217 0.000 0.779 379 P CB -0.056 31.446 31.700 -0.330 0.000 0.780 380 Y N -1.764 118.652 120.300 0.193 0.000 2.716 380 Y HA 0.470 5.020 4.550 -0.000 0.000 0.260 380 Y C 1.460 177.462 175.900 0.171 0.000 1.141 380 Y CA -0.748 57.454 58.100 0.170 0.000 1.168 380 Y CB 0.023 38.578 38.460 0.157 0.000 1.189 380 Y HN -0.177 nan 8.280 nan 0.000 0.549 381 G N -0.395 108.552 108.800 0.246 0.000 2.537 381 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 381 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 381 G C 0.234 175.232 174.900 0.163 0.000 1.310 381 G CA -0.142 45.084 45.100 0.211 0.000 1.027 381 G HN 0.559 nan 8.290 nan 0.000 0.505 382 G N -1.290 107.587 108.800 0.129 0.000 2.733 382 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 382 G C -1.552 173.395 174.900 0.079 0.000 1.373 382 G CA -0.033 45.121 45.100 0.090 0.000 0.838 382 G HN 0.546 nan 8.290 nan 0.000 0.588 383 P HA -0.093 nan 4.420 nan 0.000 0.218 383 P C 2.079 179.411 177.300 0.054 0.000 1.148 383 P CA 2.390 65.518 63.100 0.046 0.000 0.822 383 P CB -0.024 31.694 31.700 0.030 0.000 0.784 384 S N -2.136 113.597 115.700 0.055 0.000 2.496 384 S HA 0.203 4.673 4.470 -0.000 0.000 0.224 384 S C 1.731 176.384 174.600 0.089 0.000 0.996 384 S CA 0.575 58.810 58.200 0.058 0.000 0.927 384 S CB -1.287 61.938 63.200 0.041 0.000 0.774 384 S HN 0.288 nan 8.310 nan 0.000 0.524 385 G N 1.813 110.681 108.800 0.114 0.000 2.143 385 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 385 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 385 G C 0.823 175.837 174.900 0.190 0.000 0.991 385 G CA 0.400 45.603 45.100 0.172 0.000 0.689 385 G HN 0.545 nan 8.290 nan 0.000 0.522 386 R N 0.197 120.773 120.500 0.127 0.000 2.236 386 R HA 0.386 4.726 4.340 -0.000 0.000 0.208 386 R C 1.438 177.805 176.300 0.112 0.000 1.036 386 R CA 0.916 57.079 56.100 0.105 0.000 1.001 386 R CB 0.094 30.419 30.300 0.042 0.000 0.896 386 R HN 1.510 nan 8.270 nan 0.000 0.464 387 G N 0.505 109.389 108.800 0.140 0.000 2.525 387 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.685 387 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.685 387 G C -1.461 173.627 174.900 0.312 0.000 1.285 387 G CA -0.887 44.352 45.100 0.232 0.000 0.849 387 G HN 0.113 nan 8.290 nan 0.000 0.653 388 Q N -1.005 119.035 119.800 0.401 0.000 2.391 388 Q HA 0.645 4.985 4.340 -0.000 0.000 0.279 388 Q C -1.286 174.901 176.000 0.312 0.000 1.028 388 Q CA -0.915 55.100 55.803 0.354 0.000 0.836 388 Q CB 2.927 31.792 28.738 0.213 0.000 1.414 388 Q HN 0.897 nan 8.270 nan 0.000 0.397 389 V N 3.503 123.580 119.914 0.271 0.000 2.540 389 V HA 0.533 4.653 4.120 -0.000 0.000 0.302 389 V C -1.093 175.020 176.094 0.031 0.000 1.035 389 V CA -0.694 61.652 62.300 0.077 0.000 0.873 389 V CB 1.606 33.391 31.823 -0.063 0.000 0.992 389 V HN 0.598 nan 8.190 nan 0.000 0.428 390 L N 5.265 126.506 121.223 0.030 0.000 2.333 390 L HA 0.623 4.962 4.340 -0.000 0.000 0.280 390 L C -0.251 176.490 176.870 -0.215 0.000 1.004 390 L CA -0.343 54.442 54.840 -0.093 0.000 0.820 390 L CB 1.947 44.023 42.059 0.028 0.000 1.247 390 L HN 0.376 nan 8.230 nan 0.000 0.416 391 V N 3.601 123.306 119.914 -0.348 0.000 2.407 391 V HA 0.446 4.566 4.120 -0.000 0.000 0.278 391 V C -0.546 175.271 176.094 -0.461 0.000 1.037 391 V CA -0.330 61.825 62.300 -0.243 0.000 0.900 391 V CB 0.994 32.737 31.823 -0.133 0.000 0.983 391 V HN 0.394 nan 8.190 nan 0.000 0.459 392 F N 4.709 124.678 119.950 0.031 0.000 2.467 392 F HA 0.584 5.111 4.527 -0.000 0.000 0.336 392 F C 0.041 175.856 175.800 0.025 0.000 1.123 392 F CA -0.652 57.366 58.000 0.030 0.000 0.964 392 F CB 1.441 40.463 39.000 0.037 0.000 1.136 392 F HN 0.196 nan 8.300 nan 0.000 0.447 393 L N 3.041 124.360 121.223 0.159 0.000 2.326 393 L HA 0.549 4.889 4.340 -0.000 0.000 0.278 393 L C 0.883 177.806 176.870 0.089 0.000 1.092 393 L CA -0.685 54.221 54.840 0.110 0.000 0.810 393 L CB 0.882 42.985 42.059 0.074 0.000 1.153 393 L HN 0.782 nan 8.230 nan 0.000 0.439 394 G N 2.067 110.919 108.800 0.087 0.000 2.527 394 G HA2 0.462 4.422 3.960 -0.000 0.000 0.248 394 G HA3 0.462 4.422 3.960 -0.000 0.000 0.248 394 G C -0.625 174.172 174.900 -0.172 0.000 1.231 394 G CA -0.175 44.940 45.100 0.026 0.000 0.838 394 G HN 0.746 nan 8.290 nan 0.000 0.570 395 Q N -1.437 118.103 119.800 -0.433 0.000 2.707 395 Q HA 0.488 4.828 4.340 -0.000 0.000 0.307 395 Q C 1.026 176.496 176.000 -0.883 0.000 0.934 395 Q CA -0.213 55.027 55.803 -0.939 0.000 0.753 395 Q CB 0.794 29.277 28.738 -0.425 0.000 1.478 395 Q HN 0.556 nan 8.270 nan 0.000 0.458 396 S N -0.260 114.974 115.700 -0.776 0.000 2.387 396 S HA -0.251 4.218 4.470 -0.000 0.000 0.230 396 S C 1.023 175.554 174.600 -0.116 0.000 1.035 396 S CA 1.831 59.897 58.200 -0.223 0.000 1.014 396 S CB -0.564 62.608 63.200 -0.048 0.000 0.836 396 S HN 0.644 nan 8.310 nan 0.000 0.466 397 E N 1.116 121.234 120.200 -0.137 0.000 2.435 397 E HA 0.328 4.678 4.350 -0.000 0.000 0.195 397 E C 1.470 178.030 176.600 -0.068 0.000 1.029 397 E CA 0.274 56.628 56.400 -0.077 0.000 0.865 397 E CB -0.052 29.607 29.700 -0.068 0.000 0.833 397 E HN 0.717 nan 8.360 nan 0.000 0.510 398 G N 0.866 109.611 108.800 -0.092 0.000 1.829 398 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 398 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 398 G C -0.618 174.247 174.900 -0.059 0.000 1.627 398 G CA -0.614 44.454 45.100 -0.054 0.000 1.390 398 G HN 0.065 nan 8.290 nan 0.000 0.458 399 L N 1.207 122.401 121.223 -0.049 0.000 2.323 399 L HA 0.709 5.048 4.340 -0.000 0.000 0.265 399 L C 0.160 177.024 176.870 -0.009 0.000 1.012 399 L CA -1.319 53.509 54.840 -0.020 0.000 0.820 399 L CB 1.951 43.990 42.059 -0.033 0.000 1.334 399 L HN 0.349 nan 8.230 nan 0.000 0.427 400 R N 0.426 120.960 120.500 0.056 0.000 2.441 400 R HA 0.152 4.492 4.340 -0.000 0.000 0.284 400 R C 0.790 177.175 176.300 0.142 0.000 1.070 400 R CA -0.194 55.954 56.100 0.079 0.000 1.047 400 R CB 1.249 31.606 30.300 0.095 0.000 1.016 400 R HN 0.651 nan 8.270 nan 0.000 0.477 401 S N 1.900 117.652 115.700 0.085 0.000 2.406 401 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 401 S C 0.489 175.225 174.600 0.228 0.000 1.020 401 S CA 0.849 59.103 58.200 0.091 0.000 0.965 401 S CB 0.243 63.456 63.200 0.020 0.000 0.798 401 S HN 0.280 nan 8.310 nan 0.000 0.488 402 R N 2.480 123.088 120.500 0.180 0.000 2.254 402 R HA 0.416 4.755 4.340 -0.000 0.000 0.318 402 R C -2.708 173.645 176.300 0.088 0.000 1.031 402 R CA -2.828 53.350 56.100 0.131 0.000 0.905 402 R CB 0.113 30.443 30.300 0.050 0.000 1.050 402 R HN 0.319 nan 8.270 nan 0.000 0.456 403 P HA 0.016 nan 4.420 nan 0.000 0.271 403 P C 0.438 177.600 177.300 -0.231 0.000 1.216 403 P CA -0.048 62.755 63.100 -0.497 0.000 0.776 403 P CB 0.706 32.004 31.700 -0.671 0.000 0.881 404 S N 1.330 116.905 115.700 -0.207 0.000 2.453 404 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 404 S C 0.710 175.247 174.600 -0.105 0.000 1.005 404 S CA 0.448 58.586 58.200 -0.103 0.000 0.949 404 S CB -0.270 62.895 63.200 -0.058 0.000 0.774 404 S HN 0.713 nan 8.310 nan 0.000 0.510 405 Q N -0.539 119.167 119.800 -0.156 0.000 2.479 405 Q HA 0.541 4.881 4.340 -0.000 0.000 0.276 405 Q C -2.458 173.458 176.000 -0.139 0.000 0.989 405 Q CA -0.673 55.061 55.803 -0.116 0.000 0.864 405 Q CB 2.057 30.743 28.738 -0.088 0.000 1.444 405 Q HN 0.127 nan 8.270 nan 0.000 0.388 406 V N 4.093 123.954 119.914 -0.087 0.000 2.487 406 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 406 V C -0.581 175.493 176.094 -0.032 0.000 1.028 406 V CA -0.636 61.630 62.300 -0.058 0.000 0.860 406 V CB 1.570 33.376 31.823 -0.029 0.000 0.991 406 V HN 0.698 nan 8.190 nan 0.000 0.427 407 L N 4.492 125.705 121.223 -0.017 0.000 2.262 407 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 407 L C -0.284 176.648 176.870 0.103 0.000 1.035 407 L CA -0.439 54.405 54.840 0.005 0.000 0.820 407 L CB 1.036 43.020 42.059 -0.125 0.000 1.204 407 L HN 0.546 nan 8.230 nan 0.000 0.424 408 D N 1.725 122.131 120.400 0.010 0.000 2.255 408 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 408 D C 0.191 176.272 176.300 -0.366 0.000 1.078 408 D CA -0.010 53.944 54.000 -0.077 0.000 0.896 408 D CB 1.961 42.726 40.800 -0.058 0.000 1.194 408 D HN 0.357 nan 8.370 nan 0.000 0.429 409 S N 1.923 117.223 115.700 -0.667 0.000 2.546 409 S HA 0.048 4.518 4.470 -0.000 0.000 0.290 409 S C -1.485 172.763 174.600 -0.585 0.000 1.290 409 S CA -0.909 56.581 58.200 -1.183 0.000 1.069 409 S CB 0.567 63.376 63.200 -0.651 0.000 0.846 409 S HN 0.294 nan 8.310 nan 0.000 0.495 410 P HA 0.229 nan 4.420 nan 0.000 0.261 410 P C -0.496 176.444 177.300 -0.600 0.000 1.268 410 P CA 0.043 62.830 63.100 -0.521 0.000 0.833 410 P CB 0.004 31.440 31.700 -0.441 0.000 1.231 411 F N 1.327 121.201 119.950 -0.127 0.000 2.450 411 F HA 0.537 5.064 4.527 -0.000 0.000 0.328 411 F C -1.787 173.972 175.800 -0.068 0.000 1.068 411 F CA -2.843 55.106 58.000 -0.086 0.000 1.007 411 F CB -0.611 38.380 39.000 -0.015 0.000 1.251 411 F HN -0.281 nan 8.300 nan 0.000 0.492 412 P HA 0.159 nan 4.420 nan 0.000 0.275 412 P C -0.562 176.790 177.300 0.087 0.000 1.266 412 P CA -0.509 62.638 63.100 0.077 0.000 0.793 412 P CB 0.230 31.962 31.700 0.053 0.000 1.074 413 T N 0.424 115.020 114.554 0.070 0.000 2.933 413 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 413 T C 1.333 176.087 174.700 0.090 0.000 1.045 413 T CA 1.881 64.034 62.100 0.090 0.000 1.143 413 T CB -0.737 68.176 68.868 0.075 0.000 1.003 413 T HN 0.836 nan 8.240 nan 0.000 0.540 414 G N 2.023 110.904 108.800 0.134 0.000 2.175 414 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.244 414 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.244 414 G C 1.255 176.165 174.900 0.017 0.000 0.982 414 G CA 0.892 46.066 45.100 0.123 0.000 0.641 414 G HN 1.046 nan 8.290 nan 0.000 0.527 415 S N 0.087 115.785 115.700 -0.003 0.000 2.447 415 S HA 0.361 4.831 4.470 -0.000 0.000 0.233 415 S C 2.042 176.475 174.600 -0.279 0.000 1.006 415 S CA 1.717 59.852 58.200 -0.108 0.000 0.957 415 S CB -0.263 62.950 63.200 0.022 0.000 0.773 415 S HN 2.415 nan 8.310 nan 0.000 0.507 416 A N -0.085 122.568 122.820 -0.279 0.000 2.872 416 A HA -0.201 4.119 4.320 -0.000 0.000 0.273 416 A C 0.168 177.662 177.584 -0.151 0.000 1.442 416 A CA 0.623 52.393 52.037 -0.445 0.000 0.801 416 A CB -2.998 15.536 19.000 -0.776 0.000 1.031 416 A HN 1.104 nan 8.150 nan 0.000 0.582 417 F N 0.420 120.293 119.950 -0.129 0.000 2.580 417 F HA 0.348 4.875 4.527 -0.000 0.000 0.398 417 F C 1.439 177.268 175.800 0.050 0.000 1.023 417 F CA 1.629 59.663 58.000 0.057 0.000 1.188 417 F CB -0.085 39.029 39.000 0.189 0.000 1.005 417 F HN 1.594 nan 8.300 nan 0.000 0.546 418 G N 5.152 113.671 108.800 -0.468 0.000 2.194 418 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.236 418 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.236 418 G C 0.820 175.643 174.900 -0.129 0.000 0.987 418 G CA 0.195 45.055 45.100 -0.400 0.000 0.635 418 G HN 0.802 nan 8.290 nan 0.000 0.520 419 F N 2.825 122.681 119.950 -0.155 0.000 2.192 419 F HA 0.154 4.681 4.527 -0.000 0.000 0.301 419 F C 1.527 177.264 175.800 -0.104 0.000 1.079 419 F CA 2.110 60.067 58.000 -0.072 0.000 1.303 419 F CB 0.115 39.145 39.000 0.049 0.000 1.024 419 F HN 0.520 nan 8.300 nan 0.000 0.494 420 S N 0.084 115.741 115.700 -0.071 0.000 2.542 420 S HA 0.742 5.212 4.470 -0.000 0.000 0.293 420 S C -1.097 173.427 174.600 -0.127 0.000 1.089 420 S CA -0.858 57.245 58.200 -0.162 0.000 0.961 420 S CB 2.458 65.603 63.200 -0.091 0.000 1.062 420 S HN 0.121 nan 8.310 nan 0.000 0.483 421 L N 1.117 122.264 121.223 -0.126 0.000 2.472 421 L HA 0.738 5.077 4.340 -0.000 0.000 0.260 421 L C -0.841 175.992 176.870 -0.062 0.000 0.963 421 L CA -0.718 54.067 54.840 -0.090 0.000 0.829 421 L CB 2.606 44.611 42.059 -0.090 0.000 1.348 421 L HN 0.772 nan 8.230 nan 0.000 0.408 422 R N 0.506 120.988 120.500 -0.029 0.000 2.566 422 R HA 0.789 5.129 4.340 -0.000 0.000 0.271 422 R C -0.833 175.627 176.300 0.266 0.000 1.071 422 R CA -0.171 55.961 56.100 0.053 0.000 0.915 422 R CB 2.246 32.492 30.300 -0.090 0.000 1.228 422 R HN 0.767 nan 8.270 nan 0.000 0.449 423 G N 0.406 109.409 108.800 0.339 0.000 3.166 423 G HA2 0.569 4.529 3.960 -0.000 0.000 0.267 423 G HA3 0.569 4.529 3.960 -0.000 0.000 0.267 423 G C -0.411 174.588 174.900 0.165 0.000 1.256 423 G CA -0.142 45.149 45.100 0.319 0.000 0.859 423 G HN 1.264 nan 8.290 nan 0.000 0.590 424 A N -2.575 120.251 122.820 0.009 0.000 3.201 424 A HA -0.052 4.268 4.320 -0.000 0.000 0.260 424 A C 0.213 177.670 177.584 -0.212 0.000 1.222 424 A CA 1.153 53.153 52.037 -0.062 0.000 1.124 424 A CB -2.046 16.954 19.000 0.001 0.000 1.155 424 A HN 1.699 nan 8.150 nan 0.000 0.924 425 V N 0.636 120.264 119.914 -0.478 0.000 2.656 425 V HA 0.555 4.675 4.120 -0.000 0.000 0.307 425 V C -0.392 175.343 176.094 -0.599 0.000 1.051 425 V CA -0.115 61.774 62.300 -0.685 0.000 0.893 425 V CB 1.934 32.997 31.823 -1.266 0.000 0.999 425 V HN 0.463 nan 8.190 nan 0.000 0.426 426 D N 3.393 123.567 120.400 -0.376 0.000 2.441 426 D HA 0.239 4.878 4.640 -0.000 0.000 0.221 426 D C 0.719 176.836 176.300 -0.305 0.000 1.156 426 D CA -0.005 53.834 54.000 -0.268 0.000 0.896 426 D CB 1.004 41.706 40.800 -0.164 0.000 1.028 426 D HN 0.526 nan 8.370 nan 0.000 0.509 427 I N 2.551 122.894 120.570 -0.378 0.000 2.500 427 I HA -0.126 4.044 4.170 -0.000 0.000 0.252 427 I C 1.090 176.844 176.117 -0.606 0.000 1.142 427 I CA 0.887 61.916 61.300 -0.453 0.000 1.451 427 I CB 0.361 38.061 38.000 -0.499 0.000 1.093 427 I HN 0.366 nan 8.210 nan 0.000 0.430 428 D N -1.319 118.749 120.400 -0.553 0.000 2.369 428 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 428 D C 0.473 176.729 176.300 -0.073 0.000 1.077 428 D CA 0.133 53.939 54.000 -0.323 0.000 0.842 428 D CB -0.189 40.504 40.800 -0.178 0.000 0.947 428 D HN 0.246 nan 8.370 nan 0.000 0.509 429 D N 0.674 121.017 120.400 -0.094 0.000 2.907 429 D HA -0.196 4.444 4.640 -0.000 0.000 0.226 429 D C 0.463 176.768 176.300 0.008 0.000 1.141 429 D CA 1.014 54.993 54.000 -0.035 0.000 0.779 429 D CB -1.458 39.339 40.800 -0.005 0.000 1.095 429 D HN 0.457 nan 8.370 nan 0.000 0.430 430 N N -0.046 118.672 118.700 0.030 0.000 2.336 430 N HA 0.138 4.878 4.740 -0.000 0.000 0.189 430 N C 1.599 177.213 175.510 0.173 0.000 1.113 430 N CA 1.226 54.336 53.050 0.101 0.000 0.858 430 N CB 0.303 38.855 38.487 0.107 0.000 0.970 430 N HN 0.514 nan 8.380 nan 0.000 0.471 431 G N -0.785 108.055 108.800 0.067 0.000 2.175 431 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 431 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 431 G C -0.714 174.047 174.900 -0.231 0.000 0.982 431 G CA 0.214 45.272 45.100 -0.071 0.000 0.641 431 G HN 0.392 nan 8.290 nan 0.000 0.527 432 Y N 1.103 121.369 120.300 -0.056 0.000 2.409 432 Y HA 0.589 5.139 4.550 -0.000 0.000 0.343 432 Y C -2.109 173.744 175.900 -0.079 0.000 0.973 432 Y CA -2.604 55.465 58.100 -0.051 0.000 1.064 432 Y CB 2.341 40.783 38.460 -0.030 0.000 1.207 432 Y HN -0.038 nan 8.280 nan 0.000 0.452 433 P HA 0.142 nan 4.420 nan 0.000 0.279 433 P C -0.938 176.363 177.300 0.002 0.000 1.239 433 P CA -0.126 62.949 63.100 -0.042 0.000 0.789 433 P CB 1.607 33.275 31.700 -0.053 0.000 0.933 434 D N 1.570 121.944 120.400 -0.044 0.000 2.442 434 D HA 0.481 5.121 4.640 -0.000 0.000 0.254 434 D C -0.518 175.891 176.300 0.181 0.000 1.069 434 D CA -0.272 53.761 54.000 0.054 0.000 1.017 434 D CB 1.393 42.193 40.800 0.000 0.000 1.172 434 D HN 0.179 nan 8.370 nan 0.000 0.561 435 L N 0.993 122.366 121.223 0.250 0.000 2.381 435 L HA 0.476 4.815 4.340 -0.000 0.000 0.274 435 L C -0.966 176.098 176.870 0.323 0.000 0.988 435 L CA -0.662 54.346 54.840 0.281 0.000 0.824 435 L CB 1.276 43.441 42.059 0.177 0.000 1.263 435 L HN 0.364 nan 8.230 nan 0.000 0.410 436 I N 3.253 123.957 120.570 0.223 0.000 2.404 436 I HA 0.792 4.962 4.170 -0.000 0.000 0.293 436 I C -1.179 174.991 176.117 0.088 0.000 0.992 436 I CA -0.895 60.478 61.300 0.122 0.000 1.149 436 I CB 1.903 39.827 38.000 -0.127 0.000 1.315 436 I HN 0.294 nan 8.210 nan 0.000 0.446 437 V N 4.759 124.772 119.914 0.164 0.000 2.577 437 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 437 V C 0.567 176.729 176.094 0.113 0.000 1.042 437 V CA -0.430 61.911 62.300 0.067 0.000 0.872 437 V CB 1.641 33.477 31.823 0.023 0.000 0.998 437 V HN 0.988 nan 8.190 nan 0.000 0.423 438 G N 2.826 111.643 108.800 0.028 0.000 2.356 438 G HA2 0.619 4.578 3.960 -0.000 0.000 0.298 438 G HA3 0.619 4.578 3.960 -0.000 0.000 0.298 438 G C -0.172 174.778 174.900 0.083 0.000 1.145 438 G CA -0.135 45.014 45.100 0.082 0.000 0.850 438 G HN 1.155 nan 8.290 nan 0.000 0.487 439 A N 2.563 125.414 122.820 0.052 0.000 2.978 439 A HA 0.462 4.782 4.320 -0.000 0.000 0.341 439 A C 0.541 178.060 177.584 -0.108 0.000 1.105 439 A CA -0.705 51.287 52.037 -0.076 0.000 0.819 439 A CB -0.084 18.733 19.000 -0.305 0.000 1.080 439 A HN 1.041 nan 8.150 nan 0.000 0.476 440 Y N 0.055 120.362 120.300 0.012 0.000 2.256 440 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 440 Y C 1.661 177.581 175.900 0.033 0.000 1.155 440 Y CA 1.583 59.721 58.100 0.063 0.000 1.203 440 Y CB -0.720 37.823 38.460 0.140 0.000 0.980 440 Y HN 0.359 nan 8.280 nan 0.000 0.530 441 G N 0.292 108.801 108.800 -0.486 0.000 2.443 441 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 441 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 441 G C 1.525 176.357 174.900 -0.114 0.000 1.131 441 G CA 0.668 45.604 45.100 -0.273 0.000 0.775 441 G HN 0.682 nan 8.290 nan 0.000 0.547 442 A N 0.155 122.874 122.820 -0.169 0.000 2.348 442 A HA 0.286 4.606 4.320 -0.000 0.000 0.224 442 A C 1.049 178.555 177.584 -0.130 0.000 1.227 442 A CA 0.233 52.167 52.037 -0.172 0.000 0.885 442 A CB -0.122 18.675 19.000 -0.339 0.000 0.933 442 A HN 0.259 nan 8.150 nan 0.000 0.506 443 N N 0.122 118.811 118.700 -0.019 0.000 2.727 443 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 443 N C -0.409 175.175 175.510 0.124 0.000 1.048 443 N CA 1.374 54.487 53.050 0.105 0.000 0.714 443 N CB -1.238 37.269 38.487 0.034 0.000 0.959 443 N HN 0.804 nan 8.380 nan 0.000 0.544 444 Q N -0.952 118.924 119.800 0.127 0.000 2.501 444 Q HA 0.707 5.047 4.340 -0.000 0.000 0.288 444 Q C -0.973 175.208 176.000 0.302 0.000 1.051 444 Q CA -0.821 55.098 55.803 0.195 0.000 0.788 444 Q CB 2.764 31.454 28.738 -0.081 0.000 1.469 444 Q HN 0.027 nan 8.270 nan 0.000 0.416 445 V N 0.703 120.923 119.914 0.510 0.000 2.588 445 V HA 0.739 4.859 4.120 -0.000 0.000 0.304 445 V C -1.024 175.415 176.094 0.575 0.000 1.042 445 V CA -0.677 61.896 62.300 0.456 0.000 0.877 445 V CB 1.686 33.721 31.823 0.354 0.000 0.996 445 V HN 0.831 nan 8.190 nan 0.000 0.425 446 A N 4.482 127.629 122.820 0.546 0.000 2.292 446 A HA 0.853 5.173 4.320 -0.000 0.000 0.319 446 A C -0.711 176.959 177.584 0.143 0.000 1.206 446 A CA -0.504 51.719 52.037 0.311 0.000 0.835 446 A CB 1.290 20.552 19.000 0.437 0.000 1.164 446 A HN 0.731 nan 8.150 nan 0.000 0.505 447 V N 2.913 122.798 119.914 -0.048 0.000 2.384 447 V HA 0.348 4.468 4.120 -0.000 0.000 0.287 447 V C -1.225 174.775 176.094 -0.157 0.000 1.020 447 V CA -0.392 61.951 62.300 0.072 0.000 0.850 447 V CB 0.562 32.562 31.823 0.295 0.000 0.987 447 V HN 0.739 nan 8.190 nan 0.000 0.436 448 Y N 3.491 123.854 120.300 0.105 0.000 2.331 448 Y HA 0.602 5.152 4.550 -0.000 0.000 0.338 448 Y C 0.641 176.572 175.900 0.052 0.000 0.992 448 Y CA -0.674 57.467 58.100 0.068 0.000 1.121 448 Y CB 1.362 39.867 38.460 0.074 0.000 1.184 448 Y HN 0.470 nan 8.280 nan 0.000 0.469 449 R N 1.945 122.532 120.500 0.145 0.000 2.312 449 R HA 0.684 5.024 4.340 -0.000 0.000 0.311 449 R C -0.350 175.985 176.300 0.057 0.000 1.004 449 R CA -0.757 55.383 56.100 0.068 0.000 0.902 449 R CB 1.125 31.448 30.300 0.040 0.000 1.073 449 R HN 0.805 nan 8.270 nan 0.000 0.457 450 A N 3.310 126.153 122.820 0.039 0.000 2.440 450 A HA 0.164 4.484 4.320 -0.000 0.000 0.251 450 A C -0.330 177.166 177.584 -0.145 0.000 1.089 450 A CA -0.295 51.742 52.037 0.001 0.000 0.779 450 A CB 0.519 19.575 19.000 0.093 0.000 1.022 450 A HN 0.516 nan 8.150 nan 0.000 0.492 451 Q N 1.279 120.923 119.800 -0.260 0.000 2.351 451 Q HA 0.507 4.847 4.340 -0.000 0.000 0.273 451 Q C -2.492 173.067 176.000 -0.733 0.000 1.077 451 Q CA -2.017 53.552 55.803 -0.390 0.000 0.843 451 Q CB 0.618 29.242 28.738 -0.189 0.000 1.367 451 Q HN 0.473 nan 8.270 nan 0.000 0.449 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.785 63.100 -0.525 0.000 0.800 452 P CB 0.000 31.582 31.700 -0.197 0.000 0.726