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 2wba_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLPDS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.003 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 3 K N 1.411 121.826 120.400 0.025 0.000 2.118 3 K HA 0.819 -7.237 4.320 -20.628 0.000 0.254 3 K C -0.218 176.365 176.600 -0.028 0.000 0.961 3 K CA -0.695 55.596 56.287 0.007 0.000 0.876 3 K CB 1.868 34.461 32.500 0.156 0.000 1.077 3 K HN 0.931 nan 8.250 nan 0.000 0.440 4 A N 2.453 125.123 122.820 -0.251 0.000 2.317 4 A HA 0.773 -7.283 4.320 -20.628 0.000 0.327 4 A C -1.194 176.097 177.584 -0.489 0.000 1.178 4 A CA -0.577 51.338 52.037 -0.204 0.000 0.817 4 A CB 0.168 19.086 19.000 -0.135 0.000 1.189 4 A HN 0.579 nan 8.150 nan 0.000 0.489 5 F N 0.432 120.407 119.950 0.042 0.000 2.591 5 F HA 0.299 -7.550 4.527 -20.627 0.000 0.309 5 F C 0.715 176.581 175.800 0.110 0.000 1.098 5 F CA -0.674 57.370 58.000 0.074 0.000 0.937 5 F CB 2.182 41.230 39.000 0.079 0.000 1.250 5 F HN 0.660 nan 8.300 nan 0.000 0.447 6 D N 0.982 121.569 120.400 0.311 0.000 2.117 6 D HA -0.072 -7.809 4.640 -20.628 0.000 0.197 6 D C 0.077 176.681 176.300 0.507 0.000 0.987 6 D CA 1.742 55.957 54.000 0.359 0.000 0.829 6 D CB 0.401 41.335 40.800 0.223 0.000 0.961 6 D HN 0.190 nan 8.370 nan 0.000 0.460 7 L N 0.389 121.852 121.223 0.400 0.000 2.470 7 L HA 0.318 -7.719 4.340 -20.628 0.000 0.268 7 L C -1.422 175.576 176.870 0.215 0.000 0.964 7 L CA -0.599 54.466 54.840 0.375 0.000 0.839 7 L CB 2.458 44.742 42.059 0.376 0.000 1.276 7 L HN -0.358 nan 8.230 nan 0.000 0.403 8 V N 5.489 125.500 119.914 0.162 0.000 2.417 8 V HA 0.568 -7.689 4.120 -20.628 0.000 0.291 8 V C -0.482 175.650 176.094 0.064 0.000 1.024 8 V CA -0.675 61.639 62.300 0.024 0.000 0.861 8 V CB 1.826 33.625 31.823 -0.040 0.000 0.985 8 V HN 0.516 nan 8.190 nan 0.000 0.436 9 V N 6.372 126.313 119.914 0.045 0.000 2.398 9 V HA 0.478 -7.779 4.120 -20.628 0.000 0.286 9 V C -0.051 176.058 176.094 0.025 0.000 1.026 9 V CA -0.429 61.913 62.300 0.071 0.000 0.868 9 V CB 1.677 33.565 31.823 0.109 0.000 0.982 9 V HN 0.679 nan 8.190 nan 0.000 0.443 10 I N 4.639 125.223 120.570 0.023 0.000 2.291 10 I HA 0.686 -7.520 4.170 -20.628 0.000 0.290 10 I C 0.735 176.851 176.117 -0.002 0.000 1.050 10 I CA -0.020 61.272 61.300 -0.013 0.000 1.245 10 I CB 1.014 39.004 38.000 -0.016 0.000 1.405 10 I HN 0.883 nan 8.210 nan 0.000 0.478 11 G N 4.536 113.326 108.800 -0.018 0.000 3.435 11 G HA2 0.124 -8.293 3.960 -20.628 0.000 0.683 11 G HA3 0.124 -8.293 3.960 -20.628 0.000 0.683 11 G C -0.366 174.560 174.900 0.042 0.000 1.189 11 G CA -0.417 44.682 45.100 -0.003 0.000 1.069 11 G HN 0.883 nan 8.290 nan 0.000 0.508 12 A N 1.735 124.588 122.820 0.054 0.000 3.258 12 A HA 0.776 -7.280 4.320 -20.628 0.000 0.275 12 A C 1.322 178.897 177.584 -0.015 0.000 1.452 12 A CA 1.107 53.191 52.037 0.079 0.000 1.120 12 A CB -0.249 18.857 19.000 0.175 0.000 1.107 12 A HN 1.975 nan 8.150 nan 0.000 0.651 13 G N -0.672 108.128 108.800 0.001 0.000 2.782 13 G HA2 0.394 -8.023 3.960 -20.628 0.000 0.201 13 G HA3 0.394 -8.023 3.960 -20.628 0.000 0.201 13 G C 1.067 175.955 174.900 -0.020 0.000 1.374 13 G CA 0.531 45.625 45.100 -0.011 0.000 1.039 13 G HN 0.265 nan 8.290 nan 0.000 0.576 14 S N -0.171 115.538 115.700 0.015 0.000 2.343 14 S HA -0.103 -8.009 4.470 -20.628 0.000 0.219 14 S C 2.462 177.084 174.600 0.036 0.000 1.033 14 S CA 1.680 59.894 58.200 0.024 0.000 1.014 14 S CB -0.774 62.454 63.200 0.046 0.000 0.915 14 S HN 0.759 nan 8.310 nan 0.000 0.435 15 G N 1.076 109.908 108.800 0.054 0.000 2.404 15 G HA2 0.014 -8.403 3.960 -20.628 0.000 0.215 15 G HA3 0.014 -8.403 3.960 -20.628 0.000 0.215 15 G C 1.466 176.410 174.900 0.074 0.000 1.174 15 G CA 0.866 46.006 45.100 0.067 0.000 0.780 15 G HN 0.562 nan 8.290 nan 0.000 0.537 16 G N 0.868 109.711 108.800 0.071 0.000 2.440 16 G HA2 -0.156 -8.572 3.960 -20.628 0.000 0.218 16 G HA3 -0.156 -8.572 3.960 -20.628 0.000 0.218 16 G C 1.811 176.772 174.900 0.101 0.000 1.154 16 G CA 0.758 45.910 45.100 0.087 0.000 0.767 16 G HN 0.413 nan 8.290 nan 0.000 0.552 17 L N -0.068 121.191 121.223 0.060 0.000 2.109 17 L HA 0.020 -8.017 4.340 -20.628 0.000 0.207 17 L C 2.745 179.680 176.870 0.109 0.000 1.086 17 L CA 1.299 56.169 54.840 0.049 0.000 0.760 17 L CB -0.259 41.732 42.059 -0.113 0.000 0.910 17 L HN 0.274 nan 8.230 nan 0.000 0.437 18 E N 0.684 120.942 120.200 0.097 0.000 2.031 18 E HA -0.229 -8.255 4.350 -20.628 0.000 0.193 18 E C 2.158 178.869 176.600 0.185 0.000 0.994 18 E CA 1.644 58.129 56.400 0.141 0.000 0.800 18 E CB -0.152 29.608 29.700 0.099 0.000 0.752 18 E HN 0.340 nan 8.360 nan 0.000 0.447 19 A N 0.307 123.215 122.820 0.146 0.000 1.892 19 A HA -0.128 -8.185 4.320 -20.628 0.000 0.218 19 A C 2.496 180.178 177.584 0.163 0.000 1.188 19 A CA 2.160 54.285 52.037 0.147 0.000 0.631 19 A CB -1.541 17.533 19.000 0.124 0.000 0.822 19 A HN 0.451 nan 8.150 nan 0.000 0.447 20 G N -1.667 107.237 108.800 0.173 0.000 2.404 20 G HA2 -0.273 -8.689 3.960 -20.628 0.000 0.215 20 G HA3 -0.273 -8.689 3.960 -20.628 0.000 0.215 20 G C 1.537 176.538 174.900 0.168 0.000 1.174 20 G CA 0.879 46.083 45.100 0.174 0.000 0.780 20 G HN 0.679 nan 8.290 nan 0.000 0.537 21 W N 1.757 123.057 121.300 0.000 0.000 2.335 21 W HA -0.170 -7.886 4.660 -20.627 0.000 0.311 21 W C 2.078 178.598 176.519 0.002 0.000 1.213 21 W CA 1.620 58.949 57.345 -0.027 0.000 1.274 21 W CB -0.242 29.195 29.460 -0.038 0.000 1.148 21 W HN 0.179 nan 8.180 nan 0.000 0.498 22 N N 0.786 119.565 118.700 0.131 0.000 2.084 22 N HA -0.146 -7.782 4.740 -20.628 0.000 0.190 22 N C 1.979 177.512 175.510 0.038 0.000 1.030 22 N CA 2.515 55.596 53.050 0.051 0.000 0.849 22 N CB -1.254 37.348 38.487 0.191 0.000 1.012 22 N HN 0.169 nan 8.380 nan 0.000 0.423 23 A N 0.728 123.591 122.820 0.072 0.000 1.892 23 A HA -0.078 -8.134 4.320 -20.628 0.000 0.218 23 A C 2.304 179.806 177.584 -0.137 0.000 1.188 23 A CA 2.281 54.295 52.037 -0.039 0.000 0.631 23 A CB -1.042 17.857 19.000 -0.169 0.000 0.822 23 A HN 0.347 nan 8.150 nan 0.000 0.447 24 A N -0.849 121.876 122.820 -0.159 0.000 1.872 24 A HA -0.024 -8.081 4.320 -20.628 0.000 0.214 24 A C 2.432 179.845 177.584 -0.284 0.000 1.187 24 A CA 2.466 54.388 52.037 -0.191 0.000 0.614 24 A CB -1.129 17.780 19.000 -0.151 0.000 0.826 24 A HN 0.772 nan 8.150 nan 0.000 0.442 25 T N -2.614 111.654 114.554 -0.477 0.000 3.044 25 T HA 0.217 -7.810 4.350 -20.628 0.000 0.255 25 T C 1.667 176.124 174.700 -0.406 0.000 1.073 25 T CA 0.952 62.713 62.100 -0.564 0.000 1.125 25 T CB -0.219 68.005 68.868 -1.073 0.000 0.908 25 T HN 0.238 nan 8.240 nan 0.000 0.480 26 L N -1.668 119.326 121.223 -0.382 0.000 2.354 26 L HA 0.320 -7.717 4.340 -20.628 0.000 0.212 26 L C 1.523 178.031 176.870 -0.603 0.000 1.091 26 L CA 0.670 55.227 54.840 -0.472 0.000 0.828 26 L CB -0.068 41.673 42.059 -0.530 0.000 0.973 26 L HN 0.195 nan 8.230 nan 0.000 0.461 27 Y N -0.533 119.677 120.300 -0.150 0.000 2.500 27 Y HA 0.354 -7.472 4.550 -20.628 0.000 0.246 27 Y C 1.614 177.424 175.900 -0.150 0.000 1.146 27 Y CA 0.032 58.057 58.100 -0.126 0.000 1.230 27 Y CB 0.619 39.007 38.460 -0.120 0.000 1.214 27 Y HN 0.138 nan 8.280 nan 0.000 0.526 28 G N 1.015 109.772 108.800 -0.072 0.000 2.198 28 G HA2 -0.260 -8.677 3.960 -20.628 0.000 0.260 28 G HA3 -0.260 -8.677 3.960 -20.628 0.000 0.260 28 G C 0.114 174.966 174.900 -0.081 0.000 1.025 28 G CA -0.011 45.041 45.100 -0.080 0.000 0.769 28 G HN 0.054 nan 8.290 nan 0.000 0.507 29 K N -0.358 119.957 120.400 -0.143 0.000 2.098 29 K HA 0.415 -7.641 4.320 -20.628 0.000 0.257 29 K C 0.645 177.203 176.600 -0.071 0.000 0.999 29 K CA -0.852 55.325 56.287 -0.183 0.000 0.924 29 K CB 0.934 33.120 32.500 -0.523 0.000 1.028 29 K HN 0.297 nan 8.250 nan 0.000 0.466 30 R N 1.335 121.843 120.500 0.014 0.000 2.221 30 R HA 0.279 -7.758 4.340 -20.628 0.000 0.327 30 R C -0.938 175.563 176.300 0.335 0.000 1.033 30 R CA -0.338 55.856 56.100 0.157 0.000 0.887 30 R CB 0.497 30.857 30.300 0.099 0.000 1.057 30 R HN 0.225 nan 8.270 nan 0.000 0.455 31 V N 3.138 123.262 119.914 0.350 0.000 2.604 31 V HA 0.615 -7.642 4.120 -20.628 0.000 0.305 31 V C -0.373 175.797 176.094 0.127 0.000 1.043 31 V CA -0.925 61.522 62.300 0.245 0.000 0.888 31 V CB 1.751 33.663 31.823 0.148 0.000 0.995 31 V HN 0.887 nan 8.190 nan 0.000 0.429 32 A N 4.087 126.774 122.820 -0.221 0.000 2.342 32 A HA 0.906 -7.151 4.320 -20.628 0.000 0.323 32 A C -0.948 176.595 177.584 -0.068 0.000 1.125 32 A CA -0.564 51.258 52.037 -0.358 0.000 0.785 32 A CB 1.611 19.948 19.000 -1.105 0.000 1.221 32 A HN 0.718 nan 8.150 nan 0.000 0.463 33 V N 2.799 122.741 119.914 0.047 0.000 2.531 33 V HA 0.501 -7.755 4.120 -20.628 0.000 0.301 33 V C -0.444 175.593 176.094 -0.095 0.000 1.034 33 V CA -0.561 61.785 62.300 0.077 0.000 0.865 33 V CB 1.624 33.646 31.823 0.331 0.000 0.995 33 V HN 0.676 nan 8.190 nan 0.000 0.424 34 V N 3.561 123.404 119.914 -0.118 0.000 2.459 34 V HA 0.663 -7.593 4.120 -20.628 0.000 0.295 34 V C -0.492 175.495 176.094 -0.178 0.000 1.029 34 V CA -0.322 61.819 62.300 -0.265 0.000 0.874 34 V CB 1.800 33.496 31.823 -0.211 0.000 0.985 34 V HN 0.939 nan 8.190 nan 0.000 0.438 35 D N 1.332 121.592 120.400 -0.233 0.000 2.583 35 D HA 0.340 -7.396 4.640 -20.628 0.000 0.248 35 D C 0.448 176.620 176.300 -0.213 0.000 1.209 35 D CA -0.281 53.653 54.000 -0.110 0.000 0.848 35 D CB 2.982 43.882 40.800 0.166 0.000 1.431 35 D HN 0.389 nan 8.370 nan 0.000 0.436 36 V N -0.834 118.851 119.914 -0.381 0.000 3.235 36 V HA 0.187 -8.070 4.120 -20.628 0.000 0.259 36 V C 0.282 176.332 176.094 -0.074 0.000 1.133 36 V CA 0.965 62.908 62.300 -0.596 0.000 1.128 36 V CB -0.371 30.561 31.823 -1.485 0.000 0.757 36 V HN 0.601 nan 8.190 nan 0.000 0.469 37 Q N -0.855 118.996 119.800 0.084 0.000 2.522 37 Q HA 0.396 -7.641 4.340 -20.628 0.000 0.285 37 Q C 0.005 176.082 176.000 0.128 0.000 0.982 37 Q CA -0.024 55.883 55.803 0.173 0.000 0.805 37 Q CB 1.158 30.034 28.738 0.231 0.000 1.457 37 Q HN 0.223 nan 8.270 nan 0.000 0.394 38 T N -2.352 112.250 114.554 0.079 0.000 3.065 38 T HA 0.195 -7.831 4.350 -20.628 0.000 0.252 38 T C 0.599 175.298 174.700 -0.002 0.000 1.099 38 T CA 0.629 62.718 62.100 -0.017 0.000 1.063 38 T CB -0.065 68.783 68.868 -0.034 0.000 0.948 38 T HN 0.713 nan 8.240 nan 0.000 0.506 39 S N 0.913 116.623 115.700 0.017 0.000 2.588 39 S HA 0.529 -7.378 4.470 -20.628 0.000 0.275 39 S C -0.436 174.165 174.600 0.001 0.000 1.130 39 S CA -1.097 57.115 58.200 0.020 0.000 0.855 39 S CB 1.035 64.214 63.200 -0.036 0.000 1.116 39 S HN 0.685 nan 8.310 nan 0.000 0.472 40 H N 0.278 119.382 119.070 0.057 0.000 2.822 40 H HA 0.615 -7.205 4.556 -20.627 0.000 0.373 40 H C 0.818 176.165 175.328 0.032 0.000 1.223 40 H CA 0.471 56.575 56.048 0.093 0.000 1.436 40 H CB -0.284 29.565 29.762 0.145 0.000 1.439 40 H HN 1.702 nan 8.280 nan 0.000 0.618 41 G N 0.440 109.246 108.800 0.009 0.000 2.525 41 G HA2 -0.112 -8.528 3.960 -20.628 0.000 0.685 41 G HA3 -0.112 -8.528 3.960 -20.628 0.000 0.685 41 G C -2.948 171.487 174.900 -0.775 0.000 1.290 41 G CA -0.841 43.956 45.100 -0.507 0.000 0.915 41 G HN 0.781 nan 8.290 nan 0.000 0.548 42 P HA 0.148 nan 4.420 nan 0.000 0.264 42 P C -1.413 175.514 177.300 -0.621 0.000 1.179 42 P CA -0.292 62.232 63.100 -0.960 0.000 0.763 42 P CB 0.437 31.752 31.700 -0.640 0.000 0.806 43 P HA 0.061 nan 4.420 nan 0.000 0.239 43 P C 0.480 177.546 177.300 -0.389 0.000 1.188 43 P CA 1.083 63.812 63.100 -0.618 0.000 0.794 43 P CB 0.167 31.437 31.700 -0.716 0.000 0.937 44 F N -2.532 117.386 119.950 -0.053 0.000 2.731 44 F HA 0.218 -7.632 4.527 -20.628 0.000 0.298 44 F C 1.414 177.456 175.800 0.403 0.000 1.106 44 F CA -0.672 57.458 58.000 0.217 0.000 1.329 44 F CB -0.779 38.317 39.000 0.160 0.000 1.100 44 F HN -0.247 nan 8.300 nan 0.000 0.592 45 Y N -1.097 119.383 120.300 0.301 0.000 2.736 45 Y HA -0.415 -8.242 4.550 -20.627 0.000 0.479 45 Y C 1.706 177.767 175.900 0.268 0.000 1.110 45 Y CA 0.303 58.556 58.100 0.254 0.000 2.900 45 Y CB -1.957 36.673 38.460 0.283 0.000 1.048 45 Y HN 0.026 nan 8.280 nan 0.000 0.588 46 A N 1.863 124.977 122.820 0.489 0.000 2.492 46 A HA 0.610 -7.447 4.320 -20.628 0.000 0.236 46 A C 0.548 178.272 177.584 0.234 0.000 1.078 46 A CA 0.866 53.093 52.037 0.318 0.000 0.773 46 A CB 0.025 19.219 19.000 0.324 0.000 1.023 46 A HN 1.507 nan 8.150 nan 0.000 0.504 47 A N -0.227 122.684 122.820 0.152 0.000 2.483 47 A HA 0.551 -7.505 4.320 -20.628 0.000 0.306 47 A C -0.651 176.968 177.584 0.057 0.000 1.137 47 A CA -0.487 51.614 52.037 0.107 0.000 0.626 47 A CB -0.169 18.904 19.000 0.121 0.000 1.352 47 A HN 2.062 nan 8.150 nan 0.000 0.508 48 L N 1.124 122.360 121.223 0.023 0.000 2.737 48 L HA 0.370 -7.666 4.340 -20.628 0.000 0.279 48 L C 1.264 178.101 176.870 -0.055 0.000 1.200 48 L CA 2.855 57.660 54.840 -0.059 0.000 0.952 48 L CB -0.379 41.557 42.059 -0.203 0.000 1.240 48 L HN 2.226 nan 8.230 nan 0.000 0.486 49 G N 1.882 110.566 108.800 -0.194 0.000 2.278 49 G HA2 0.193 -8.223 3.960 -20.628 0.000 0.210 49 G HA3 0.193 -8.223 3.960 -20.628 0.000 0.210 49 G C 1.108 175.963 174.900 -0.075 0.000 1.000 49 G CA 0.087 45.046 45.100 -0.234 0.000 0.635 49 G HN 2.173 nan 8.290 nan 0.000 0.495 50 G N -1.649 107.146 108.800 -0.008 0.000 2.631 50 G HA2 0.206 -8.211 3.960 -20.628 0.000 0.504 50 G HA3 0.206 -8.211 3.960 -20.628 0.000 0.504 50 G C 0.643 175.590 174.900 0.079 0.000 1.306 50 G CA 0.632 45.755 45.100 0.039 0.000 0.897 50 G HN 1.166 nan 8.290 nan 0.000 0.520 51 T N -0.479 114.137 114.554 0.103 0.000 2.708 51 T HA -0.194 -8.221 4.350 -20.628 0.000 0.266 51 T C 2.509 177.252 174.700 0.072 0.000 1.037 51 T CA 2.654 64.825 62.100 0.117 0.000 1.146 51 T CB -0.550 68.407 68.868 0.148 0.000 0.865 51 T HN 1.115 nan 8.240 nan 0.000 0.435 52 c N 1.114 119.757 118.600 0.072 0.000 2.429 52 c HA -0.041 -7.847 4.570 -20.628 0.000 0.277 52 c C 2.757 176.854 174.090 0.011 0.000 1.262 52 c CA 0.585 56.947 56.329 0.055 0.000 1.733 52 c CB -1.224 41.325 42.510 0.065 0.000 2.010 52 c HN 0.371 nan 8.230 nan 0.000 0.483 53 V N 1.737 121.667 119.914 0.026 0.000 2.358 53 V HA -0.144 -8.401 4.120 -20.628 0.000 0.246 53 V C 2.307 178.377 176.094 -0.039 0.000 1.047 53 V CA 2.317 64.627 62.300 0.018 0.000 1.035 53 V CB -0.635 31.248 31.823 0.101 0.000 0.658 53 V HN 0.600 nan 8.190 nan 0.000 0.452 54 N N 0.158 118.847 118.700 -0.019 0.000 2.349 54 N HA 0.016 -7.621 4.740 -20.628 0.000 0.180 54 N C 0.942 176.341 175.510 -0.184 0.000 1.024 54 N CA 1.676 54.717 53.050 -0.016 0.000 0.869 54 N CB 0.805 39.368 38.487 0.126 0.000 1.022 54 N HN 0.505 nan 8.380 nan 0.000 0.433 55 V N -2.351 117.433 119.914 -0.215 0.000 2.724 55 V HA 0.742 -7.514 4.120 -20.628 0.000 0.341 55 V C 0.219 176.132 176.094 -0.302 0.000 1.254 55 V CA -0.468 61.503 62.300 -0.548 0.000 1.261 55 V CB 0.574 32.361 31.823 -0.060 0.000 1.445 55 V HN 0.195 nan 8.190 nan 0.000 0.652 56 G N -0.255 108.413 108.800 -0.221 0.000 3.000 56 G HA2 0.270 -8.146 3.960 -20.628 0.000 0.170 56 G HA3 0.270 -8.146 3.960 -20.628 0.000 0.170 56 G C 0.819 175.772 174.900 0.088 0.000 1.160 56 G CA 0.565 45.717 45.100 0.086 0.000 0.945 56 G HN 0.345 nan 8.290 nan 0.000 0.593 57 c N 0.013 118.672 118.600 0.099 0.000 2.363 57 c HA -0.078 -7.884 4.570 -20.628 0.000 0.274 57 c C 2.810 176.880 174.090 -0.034 0.000 1.183 57 c CA 1.118 57.484 56.329 0.062 0.000 1.771 57 c CB -1.603 40.944 42.510 0.062 0.000 2.059 57 c HN 0.289 nan 8.230 nan 0.000 0.455 58 V N 2.890 122.771 119.914 -0.056 0.000 2.237 58 V HA -0.135 -8.392 4.120 -20.628 0.000 0.245 58 V C 0.346 176.365 176.094 -0.125 0.000 1.046 58 V CA 2.728 64.969 62.300 -0.098 0.000 1.007 58 V CB -1.919 29.852 31.823 -0.086 0.000 0.638 58 V HN 0.393 nan 8.190 nan 0.000 0.445 59 P HA -0.174 nan 4.420 nan 0.000 0.217 59 P C 1.403 178.703 177.300 0.001 0.000 1.151 59 P CA 1.710 64.725 63.100 -0.142 0.000 0.828 59 P CB -0.078 31.421 31.700 -0.336 0.000 0.788 60 K N 0.636 121.096 120.400 0.100 0.000 2.155 60 K HA -0.119 -8.176 4.320 -20.628 0.000 0.203 60 K C 2.130 178.635 176.600 -0.158 0.000 1.052 60 K CA 1.439 57.736 56.287 0.016 0.000 0.948 60 K CB -0.711 31.810 32.500 0.034 0.000 0.728 60 K HN -0.132 nan 8.250 nan 0.000 0.448 61 K N 1.288 121.570 120.400 -0.196 0.000 2.057 61 K HA 0.043 -8.014 4.320 -20.628 0.000 0.206 61 K C 1.866 178.322 176.600 -0.240 0.000 1.050 61 K CA 1.372 57.456 56.287 -0.339 0.000 0.935 61 K CB -0.409 31.816 32.500 -0.459 0.000 0.715 61 K HN 0.273 nan 8.250 nan 0.000 0.439 62 L N -0.068 121.049 121.223 -0.176 0.000 2.042 62 L HA -0.208 -8.244 4.340 -20.628 0.000 0.210 62 L C 2.520 179.319 176.870 -0.118 0.000 1.076 62 L CA 1.624 56.385 54.840 -0.133 0.000 0.749 62 L CB -0.365 41.617 42.059 -0.129 0.000 0.893 62 L HN 0.288 nan 8.230 nan 0.000 0.432 63 M N -1.407 118.101 119.600 -0.153 0.000 2.200 63 M HA -0.140 -8.036 4.480 -20.628 0.000 0.265 63 M C 2.246 178.483 176.300 -0.104 0.000 1.066 63 M CA 1.073 56.265 55.300 -0.180 0.000 1.127 63 M CB -0.202 32.232 32.600 -0.277 0.000 1.379 63 M HN 0.023 nan 8.290 nan 0.000 0.420 64 V N 0.036 119.865 119.914 -0.141 0.000 2.343 64 V HA -0.252 -8.508 4.120 -20.628 0.000 0.247 64 V C 2.299 178.355 176.094 -0.063 0.000 1.051 64 V CA 2.229 64.472 62.300 -0.094 0.000 1.036 64 V CB -1.089 30.676 31.823 -0.098 0.000 0.654 64 V HN 0.495 nan 8.190 nan 0.000 0.451 65 T N 0.419 114.919 114.554 -0.091 0.000 2.684 65 T HA -0.157 -8.184 4.350 -20.628 0.000 0.267 65 T C 1.935 176.601 174.700 -0.056 0.000 1.036 65 T CA 1.663 63.701 62.100 -0.103 0.000 1.148 65 T CB -0.740 68.080 68.868 -0.080 0.000 0.863 65 T HN 0.632 nan 8.240 nan 0.000 0.436 66 G N 1.189 110.067 108.800 0.130 0.000 2.446 66 G HA2 -0.120 -8.536 3.960 -20.628 0.000 0.217 66 G HA3 -0.120 -8.536 3.960 -20.628 0.000 0.217 66 G C 1.835 176.961 174.900 0.376 0.000 1.168 66 G CA 0.979 46.314 45.100 0.393 0.000 0.771 66 G HN 0.599 nan 8.290 nan 0.000 0.551 67 A N 0.194 123.192 122.820 0.298 0.000 1.972 67 A HA -0.074 -8.131 4.320 -20.628 0.000 0.219 67 A C 2.300 179.882 177.584 -0.002 0.000 1.169 67 A CA 1.869 54.011 52.037 0.176 0.000 0.635 67 A CB -0.384 18.711 19.000 0.158 0.000 0.810 67 A HN 0.481 nan 8.150 nan 0.000 0.446 68 Q N -1.695 118.038 119.800 -0.112 0.000 2.226 68 Q HA -0.190 -8.227 4.340 -20.628 0.000 0.204 68 Q C 1.548 177.350 176.000 -0.331 0.000 0.975 68 Q CA 1.453 57.086 55.803 -0.283 0.000 0.866 68 Q CB -0.300 28.221 28.738 -0.363 0.000 0.915 68 Q HN 0.858 nan 8.270 nan 0.000 0.440 69 Y N 0.057 120.362 120.300 0.007 0.000 2.333 69 Y HA -0.210 -8.034 4.550 -20.625 0.000 0.290 69 Y C 2.177 178.079 175.900 0.003 0.000 1.144 69 Y CA 1.009 59.145 58.100 0.060 0.000 1.228 69 Y CB -0.342 38.138 38.460 0.033 0.000 0.985 69 Y HN 0.181 nan 8.280 nan 0.000 0.542 70 M N 0.038 119.680 119.600 0.069 0.000 2.080 70 M HA -0.279 -8.176 4.480 -20.628 0.000 0.260 70 M C 1.208 177.542 176.300 0.057 0.000 1.068 70 M CA 2.230 57.553 55.300 0.039 0.000 1.109 70 M CB -0.121 32.473 32.600 -0.010 0.000 1.342 70 M HN 0.132 nan 8.290 nan 0.000 0.405 71 D N -0.617 119.776 120.400 -0.013 0.000 2.097 71 D HA -0.161 -7.897 4.640 -20.628 0.000 0.197 71 D C 1.945 178.272 176.300 0.044 0.000 0.984 71 D CA 1.232 55.221 54.000 -0.017 0.000 0.826 71 D CB -0.563 40.167 40.800 -0.115 0.000 0.973 71 D HN 0.445 nan 8.370 nan 0.000 0.460 72 H N 0.378 119.489 119.070 0.069 0.000 2.289 72 H HA -0.072 -7.885 4.556 -20.615 0.000 0.296 72 H C 2.406 177.803 175.328 0.116 0.000 1.091 72 H CA 0.804 56.893 56.048 0.070 0.000 1.274 72 H CB -0.680 29.113 29.762 0.052 0.000 1.364 72 H HN 0.172 nan 8.280 nan 0.000 0.490 73 L N 0.112 121.501 121.223 0.277 0.000 2.012 73 L HA -0.206 -8.242 4.340 -20.628 0.000 0.210 73 L C 2.887 179.983 176.870 0.377 0.000 1.073 73 L CA 1.503 56.527 54.840 0.307 0.000 0.748 73 L CB -0.402 41.816 42.059 0.265 0.000 0.891 73 L HN 0.180 nan 8.230 nan 0.000 0.431 74 R N 0.505 121.160 120.500 0.258 0.000 2.081 74 R HA -0.179 -8.215 4.340 -20.628 0.000 0.235 74 R C 2.067 178.497 176.300 0.216 0.000 1.131 74 R CA 1.655 57.875 56.100 0.201 0.000 0.960 74 R CB -0.073 30.316 30.300 0.148 0.000 0.856 74 R HN 0.408 nan 8.270 nan 0.000 0.436 75 E N 0.071 120.414 120.200 0.239 0.000 2.274 75 E HA -0.115 -8.141 4.350 -20.628 0.000 0.194 75 E C 1.888 178.715 176.600 0.378 0.000 0.996 75 E CA 1.201 57.773 56.400 0.286 0.000 0.840 75 E CB 0.117 29.991 29.700 0.290 0.000 0.772 75 E HN 0.462 nan 8.360 nan 0.000 0.491 76 S N 0.898 116.805 115.700 0.346 0.000 2.419 76 S HA -0.145 -8.052 4.470 -20.628 0.000 0.233 76 S C 2.201 177.123 174.600 0.537 0.000 1.016 76 S CA 0.836 59.286 58.200 0.417 0.000 0.974 76 S CB -0.165 63.196 63.200 0.269 0.000 0.786 76 S HN 0.278 nan 8.310 nan 0.000 0.492 77 A N 2.011 125.048 122.820 0.361 0.000 1.940 77 A HA 0.174 -7.883 4.320 -20.628 0.000 0.219 77 A C 2.414 180.108 177.584 0.183 0.000 1.176 77 A CA 1.531 53.707 52.037 0.232 0.000 0.631 77 A CB -1.774 17.283 19.000 0.095 0.000 0.814 77 A HN 0.687 nan 8.150 nan 0.000 0.446 78 G N -1.873 107.029 108.800 0.169 0.000 2.470 78 G HA2 -0.095 -8.511 3.960 -20.628 0.000 0.220 78 G HA3 -0.095 -8.511 3.960 -20.628 0.000 0.220 78 G C 0.915 175.700 174.900 -0.193 0.000 1.121 78 G CA 0.854 45.935 45.100 -0.032 0.000 0.766 78 G HN 0.472 nan 8.290 nan 0.000 0.553 79 F N 0.062 120.112 119.950 0.167 0.000 2.641 79 F HA 0.400 -7.458 4.527 -20.642 0.000 0.302 79 F C 1.795 177.655 175.800 0.100 0.000 1.098 79 F CA 0.164 58.267 58.000 0.171 0.000 1.318 79 F CB 0.772 39.932 39.000 0.267 0.000 1.035 79 F HN 0.203 nan 8.300 nan 0.000 0.551 80 G N -1.103 107.794 108.800 0.162 0.000 2.176 80 G HA2 -0.282 -8.698 3.960 -20.628 0.000 0.232 80 G HA3 -0.282 -8.698 3.960 -20.628 0.000 0.232 80 G C -0.181 174.659 174.900 -0.099 0.000 0.986 80 G CA -0.762 44.321 45.100 -0.027 0.000 0.643 80 G HN 0.232 nan 8.290 nan 0.000 0.522 81 W N 1.625 123.016 121.300 0.152 0.000 2.304 81 W HA 0.615 -7.103 4.660 -20.630 0.000 0.313 81 W C 0.638 177.246 176.519 0.147 0.000 1.323 81 W CA -0.212 57.244 57.345 0.185 0.000 1.223 81 W CB 0.582 30.196 29.460 0.257 0.000 1.237 81 W HN 0.151 nan 8.180 nan 0.000 0.535 82 E N 3.605 123.998 120.200 0.323 0.000 2.222 82 E HA 0.627 -7.400 4.350 -20.628 0.000 0.267 82 E C -0.899 175.885 176.600 0.307 0.000 0.884 82 E CA -0.929 55.558 56.400 0.145 0.000 0.764 82 E CB 1.704 31.438 29.700 0.056 0.000 1.169 82 E HN 0.306 nan 8.360 nan 0.000 0.413 83 F N -1.120 118.903 119.950 0.121 0.000 2.807 83 F HA 0.319 -7.534 4.527 -20.633 0.000 0.316 83 F C -1.179 174.664 175.800 0.070 0.000 1.162 83 F CA -1.471 56.587 58.000 0.097 0.000 0.910 83 F CB 0.696 39.761 39.000 0.108 0.000 1.314 83 F HN 0.153 nan 8.300 nan 0.000 0.454 84 D N 1.295 121.857 120.400 0.270 0.000 2.348 84 D HA 0.275 -7.462 4.640 -20.628 0.000 0.259 84 D C 1.306 177.717 176.300 0.184 0.000 1.296 84 D CA 0.735 54.820 54.000 0.142 0.000 0.931 84 D CB 1.209 42.087 40.800 0.130 0.000 1.067 84 D HN 0.861 nan 8.370 nan 0.000 0.503 85 G N 2.497 111.306 108.800 0.017 0.000 2.442 85 G HA2 -0.279 -8.696 3.960 -20.628 0.000 0.219 85 G HA3 -0.279 -8.696 3.960 -20.628 0.000 0.219 85 G C 1.472 176.431 174.900 0.099 0.000 1.141 85 G CA 1.027 46.156 45.100 0.048 0.000 0.763 85 G HN 0.561 nan 8.290 nan 0.000 0.554 86 S N 0.841 116.581 115.700 0.067 0.000 2.481 86 S HA -0.058 -7.965 4.470 -20.628 0.000 0.231 86 S C 2.209 176.853 174.600 0.072 0.000 0.996 86 S CA 1.430 59.666 58.200 0.059 0.000 0.942 86 S CB -0.289 62.934 63.200 0.040 0.000 0.768 86 S HN 0.543 nan 8.310 nan 0.000 0.520 87 S N 0.443 116.202 115.700 0.097 0.000 2.593 87 S HA 0.232 -7.675 4.470 -20.628 0.000 0.217 87 S C 0.403 175.056 174.600 0.088 0.000 0.966 87 S CA -0.369 57.884 58.200 0.088 0.000 0.914 87 S CB -0.457 62.800 63.200 0.096 0.000 0.776 87 S HN 0.277 nan 8.310 nan 0.000 0.523 88 V N 3.114 123.096 119.914 0.112 0.000 2.470 88 V HA 0.423 -7.834 4.120 -20.628 0.000 0.276 88 V C 0.022 176.152 176.094 0.059 0.000 1.040 88 V CA -0.175 62.182 62.300 0.095 0.000 1.008 88 V CB 0.239 32.152 31.823 0.150 0.000 0.990 88 V HN 0.640 nan 8.190 nan 0.000 0.477 89 K N 4.731 125.155 120.400 0.039 0.000 2.464 89 K HA 0.821 -7.236 4.320 -20.628 0.000 0.253 89 K C -0.856 175.763 176.600 0.031 0.000 0.933 89 K CA -0.474 55.837 56.287 0.040 0.000 0.801 89 K CB 2.122 34.653 32.500 0.052 0.000 1.271 89 K HN 0.615 nan 8.250 nan 0.000 0.430 90 A N 3.429 126.269 122.820 0.034 0.000 2.260 90 A HA 0.318 -7.739 4.320 -20.628 0.000 0.312 90 A C -0.797 176.935 177.584 0.246 0.000 1.321 90 A CA -0.711 51.344 52.037 0.032 0.000 0.928 90 A CB -0.010 18.862 19.000 -0.213 0.000 1.158 90 A HN 0.732 nan 8.150 nan 0.000 0.542 91 N N 3.327 122.191 118.700 0.273 0.000 2.521 91 N HA -0.010 -7.647 4.740 -20.628 0.000 0.236 91 N C 0.851 176.586 175.510 0.375 0.000 1.067 91 N CA -0.564 52.656 53.050 0.283 0.000 0.939 91 N CB 0.200 38.781 38.487 0.157 0.000 1.201 91 N HN 0.889 nan 8.380 nan 0.000 0.511 92 W N 4.768 126.201 121.300 0.222 0.000 2.358 92 W HA -0.168 -7.887 4.660 -20.632 0.000 0.303 92 W C 0.866 177.391 176.519 0.009 0.000 1.208 92 W CA 1.118 58.499 57.345 0.060 0.000 1.274 92 W CB 0.253 29.765 29.460 0.087 0.000 1.138 92 W HN 0.503 nan 8.180 nan 0.000 0.515 93 K N 0.389 120.909 120.400 0.200 0.000 2.063 93 K HA -0.249 -8.305 4.320 -20.628 0.000 0.208 93 K C 2.026 178.605 176.600 -0.035 0.000 1.048 93 K CA 1.949 58.279 56.287 0.071 0.000 0.928 93 K CB -0.265 32.312 32.500 0.129 0.000 0.713 93 K HN -0.089 nan 8.250 nan 0.000 0.442 94 K N 0.889 121.288 120.400 -0.001 0.000 2.025 94 K HA -0.109 -8.166 4.320 -20.628 0.000 0.207 94 K C 1.927 178.469 176.600 -0.097 0.000 1.049 94 K CA 0.715 56.987 56.287 -0.025 0.000 0.933 94 K CB -0.287 32.223 32.500 0.018 0.000 0.714 94 K HN -0.007 nan 8.250 nan 0.000 0.438 95 L N 0.774 121.908 121.223 -0.149 0.000 1.990 95 L HA -0.205 -8.242 4.340 -20.628 0.000 0.213 95 L C 1.773 178.421 176.870 -0.371 0.000 1.072 95 L CA 1.753 56.428 54.840 -0.276 0.000 0.755 95 L CB -0.482 41.282 42.059 -0.492 0.000 0.889 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 I N 0.087 120.351 120.570 -0.510 0.000 2.226 96 I HA -0.250 -8.456 4.170 -20.628 0.000 0.245 96 I C 2.693 178.667 176.117 -0.238 0.000 1.100 96 I CA 1.505 62.531 61.300 -0.456 0.000 1.374 96 I CB -2.026 35.667 38.000 -0.511 0.000 1.057 96 I HN 0.413 nan 8.210 nan 0.000 0.413 97 A N 0.762 123.489 122.820 -0.156 0.000 1.930 97 A HA -0.058 -8.115 4.320 -20.628 0.000 0.217 97 A C 2.560 180.093 177.584 -0.085 0.000 1.175 97 A CA 1.813 53.803 52.037 -0.077 0.000 0.627 97 A CB -0.656 18.321 19.000 -0.039 0.000 0.815 97 A HN 0.407 nan 8.150 nan 0.000 0.443 98 A N -0.253 122.501 122.820 -0.109 0.000 1.897 98 A HA -0.104 -8.160 4.320 -20.628 0.000 0.215 98 A C 2.163 179.670 177.584 -0.127 0.000 1.181 98 A CA 1.795 53.773 52.037 -0.100 0.000 0.620 98 A CB -0.391 18.555 19.000 -0.091 0.000 0.821 98 A HN 0.394 nan 8.150 nan 0.000 0.443 99 K N 0.294 120.589 120.400 -0.175 0.000 2.026 99 K HA -0.196 -8.253 4.320 -20.628 0.000 0.208 99 K C 1.494 177.950 176.600 -0.239 0.000 1.048 99 K CA 1.822 57.983 56.287 -0.210 0.000 0.929 99 K CB -0.454 31.893 32.500 -0.254 0.000 0.713 99 K HN 0.408 nan 8.250 nan 0.000 0.439 100 N N 1.417 119.986 118.700 -0.217 0.000 2.120 100 N HA -0.171 -7.808 4.740 -20.628 0.000 0.188 100 N C 1.730 177.165 175.510 -0.124 0.000 1.024 100 N CA 1.238 54.155 53.050 -0.222 0.000 0.852 100 N CB -0.308 38.194 38.487 0.024 0.000 1.003 100 N HN 0.305 nan 8.380 nan 0.000 0.424 101 E N 0.830 120.990 120.200 -0.067 0.000 2.152 101 E HA 0.083 -7.944 4.350 -20.628 0.000 0.192 101 E C 1.695 178.257 176.600 -0.063 0.000 0.983 101 E CA 0.931 57.311 56.400 -0.034 0.000 0.818 101 E CB -0.291 29.392 29.700 -0.028 0.000 0.758 101 E HN 0.300 nan 8.360 nan 0.000 0.467 102 A N -0.099 122.660 122.820 -0.102 0.000 1.898 102 A HA -0.094 -8.151 4.320 -20.628 0.000 0.216 102 A C 2.456 179.970 177.584 -0.117 0.000 1.181 102 A CA 1.484 53.458 52.037 -0.106 0.000 0.620 102 A CB -0.649 18.280 19.000 -0.117 0.000 0.819 102 A HN 0.178 nan 8.150 nan 0.000 0.442 103 V N -0.285 119.524 119.914 -0.175 0.000 2.358 103 V HA -0.211 -8.468 4.120 -20.628 0.000 0.246 103 V C 2.484 178.546 176.094 -0.053 0.000 1.047 103 V CA 1.874 64.068 62.300 -0.177 0.000 1.035 103 V CB -0.748 30.848 31.823 -0.378 0.000 0.658 103 V HN 0.574 nan 8.190 nan 0.000 0.452 104 L N 0.395 121.617 121.223 -0.002 0.000 2.046 104 L HA -0.172 -8.209 4.340 -20.628 0.000 0.208 104 L C 2.048 178.940 176.870 0.036 0.000 1.077 104 L CA 2.026 56.935 54.840 0.116 0.000 0.747 104 L CB -0.874 41.278 42.059 0.156 0.000 0.896 104 L HN 0.287 nan 8.230 nan 0.000 0.432 105 D N -0.368 120.025 120.400 -0.012 0.000 2.149 105 D HA -0.196 -7.933 4.640 -20.628 0.000 0.198 105 D C 2.270 178.528 176.300 -0.071 0.000 0.990 105 D CA 1.789 55.763 54.000 -0.043 0.000 0.839 105 D CB -0.093 40.671 40.800 -0.060 0.000 0.948 105 D HN 0.449 nan 8.370 nan 0.000 0.460 106 I N 0.574 121.101 120.570 -0.072 0.000 2.233 106 I HA -0.216 -8.423 4.170 -20.628 0.000 0.243 106 I C 1.848 177.946 176.117 -0.033 0.000 1.093 106 I CA 0.750 61.981 61.300 -0.115 0.000 1.380 106 I CB -0.317 37.632 38.000 -0.085 0.000 1.067 106 I HN -0.030 nan 8.210 nan 0.000 0.413 107 N N 1.132 119.874 118.700 0.069 0.000 2.037 107 N HA -0.255 -7.891 4.740 -20.628 0.000 0.196 107 N C 1.771 177.317 175.510 0.061 0.000 1.034 107 N CA 1.546 54.665 53.050 0.114 0.000 0.861 107 N CB -0.155 38.395 38.487 0.106 0.000 1.039 107 N HN 0.303 nan 8.380 nan 0.000 0.427 108 K N 0.344 120.752 120.400 0.013 0.000 2.097 108 K HA -0.096 -8.152 4.320 -20.628 0.000 0.206 108 K C 2.419 179.001 176.600 -0.030 0.000 1.049 108 K CA 1.496 57.779 56.287 -0.007 0.000 0.933 108 K CB -0.115 32.377 32.500 -0.014 0.000 0.717 108 K HN 0.280 nan 8.250 nan 0.000 0.442 109 S N -0.016 115.629 115.700 -0.093 0.000 2.402 109 S HA -0.147 -8.053 4.470 -20.628 0.000 0.229 109 S C 1.906 176.414 174.600 -0.152 0.000 1.021 109 S CA 0.717 58.820 58.200 -0.161 0.000 0.974 109 S CB -0.469 62.570 63.200 -0.268 0.000 0.800 109 S HN 0.209 nan 8.310 nan 0.000 0.484 110 Y N 3.140 123.399 120.300 -0.068 0.000 2.242 110 Y HA -0.021 -7.848 4.550 -20.628 0.000 0.291 110 Y C 2.698 178.617 175.900 0.032 0.000 1.137 110 Y CA 1.053 59.117 58.100 -0.061 0.000 1.181 110 Y CB -0.579 37.856 38.460 -0.041 0.000 0.989 110 Y HN 0.628 nan 8.280 nan 0.000 0.527 111 E N -1.537 118.758 120.200 0.159 0.000 2.274 111 E HA -0.056 -8.082 4.350 -20.628 0.000 0.194 111 E C 2.398 179.072 176.600 0.123 0.000 0.996 111 E CA 0.967 57.438 56.400 0.118 0.000 0.840 111 E CB -0.632 29.052 29.700 -0.027 0.000 0.772 111 E HN 0.374 nan 8.360 nan 0.000 0.491 112 G N 1.761 110.600 108.800 0.065 0.000 2.408 112 G HA2 -0.243 -8.660 3.960 -20.628 0.000 0.217 112 G HA3 -0.243 -8.660 3.960 -20.628 0.000 0.217 112 G C 1.545 176.477 174.900 0.054 0.000 1.150 112 G CA 0.822 45.947 45.100 0.041 0.000 0.776 112 G HN 0.246 nan 8.290 nan 0.000 0.542 113 M N -0.521 119.097 119.600 0.030 0.000 2.065 113 M HA -0.031 -7.928 4.480 -20.628 0.000 0.259 113 M C 2.302 178.624 176.300 0.036 0.000 1.069 113 M CA 1.581 56.879 55.300 -0.003 0.000 1.110 113 M CB -0.269 32.265 32.600 -0.110 0.000 1.328 113 M HN 0.195 nan 8.290 nan 0.000 0.405 114 F N 1.286 121.302 119.950 0.111 0.000 2.102 114 F HA -0.231 -8.081 4.527 -20.628 0.000 0.298 114 F C 2.205 178.052 175.800 0.078 0.000 1.105 114 F CA 1.619 59.682 58.000 0.105 0.000 1.239 114 F CB -1.087 37.959 39.000 0.076 0.000 0.991 114 F HN 0.307 nan 8.300 nan 0.000 0.474 115 N N 0.073 118.914 118.700 0.234 0.000 2.205 115 N HA -0.162 -7.798 4.740 -20.628 0.000 0.186 115 N C 1.165 176.738 175.510 0.106 0.000 1.015 115 N CA 1.571 54.703 53.050 0.137 0.000 0.862 115 N CB -0.447 38.096 38.487 0.093 0.000 0.986 115 N HN 0.302 nan 8.380 nan 0.000 0.429 116 D N -0.798 119.665 120.400 0.104 0.000 2.366 116 D HA 0.058 -7.679 4.640 -20.628 0.000 0.205 116 D C -0.087 176.264 176.300 0.084 0.000 1.022 116 D CA 0.482 54.531 54.000 0.081 0.000 0.868 116 D CB 0.221 41.064 40.800 0.071 0.000 0.953 116 D HN 0.049 nan 8.370 nan 0.000 0.514 117 T N 1.321 115.939 114.554 0.106 0.000 2.743 117 T HA 0.249 -7.777 4.350 -20.628 0.000 0.292 117 T C 0.056 174.794 174.700 0.063 0.000 0.972 117 T CA -0.560 61.585 62.100 0.074 0.000 0.967 117 T CB 2.083 71.009 68.868 0.097 0.000 0.926 117 T HN -0.197 nan 8.240 nan 0.000 0.459 118 E N 1.941 122.154 120.200 0.022 0.000 2.344 118 E HA 0.431 -7.595 4.350 -20.628 0.000 0.270 118 E C 1.285 177.903 176.600 0.030 0.000 1.021 118 E CA 0.946 57.364 56.400 0.030 0.000 0.887 118 E CB 0.073 29.777 29.700 0.006 0.000 0.997 118 E HN 0.853 nan 8.360 nan 0.000 0.429 119 G N 3.392 112.238 108.800 0.078 0.000 2.148 119 G HA2 -0.265 -8.681 3.960 -20.628 0.000 0.254 119 G HA3 -0.265 -8.681 3.960 -20.628 0.000 0.254 119 G C -0.310 174.688 174.900 0.164 0.000 0.981 119 G CA 0.402 45.567 45.100 0.107 0.000 0.670 119 G HN 0.508 nan 8.290 nan 0.000 0.528 120 L N 1.390 122.725 121.223 0.187 0.000 2.388 120 L HA 0.684 -7.353 4.340 -20.628 0.000 0.267 120 L C -1.310 175.821 176.870 0.435 0.000 0.995 120 L CA -1.086 53.919 54.840 0.274 0.000 0.864 120 L CB 1.402 43.562 42.059 0.170 0.000 1.216 120 L HN 0.057 nan 8.230 nan 0.000 0.430 121 D N 3.970 124.597 120.400 0.379 0.000 2.350 121 D HA 0.304 -7.433 4.640 -20.628 0.000 0.245 121 D C -1.095 175.122 176.300 -0.137 0.000 1.036 121 D CA -0.030 54.063 54.000 0.156 0.000 0.848 121 D CB 2.253 43.093 40.800 0.067 0.000 1.307 121 D HN 0.285 nan 8.370 nan 0.000 0.469 122 F N 1.756 121.281 119.950 -0.708 0.000 2.404 122 F HA 0.502 -7.347 4.527 -20.628 0.000 0.339 122 F C -1.189 174.133 175.800 -0.798 0.000 1.105 122 F CA -0.770 56.662 58.000 -0.947 0.000 1.087 122 F CB 0.584 38.809 39.000 -1.291 0.000 1.143 122 F HN 0.112 nan 8.300 nan 0.000 0.491 123 F N 6.961 126.215 119.950 -1.159 0.000 2.499 123 F HA 0.360 -7.490 4.527 -20.628 0.000 0.333 123 F C -0.428 174.686 175.800 -1.143 0.000 1.138 123 F CA -0.776 56.714 58.000 -0.851 0.000 0.945 123 F CB 1.413 40.123 39.000 -0.483 0.000 1.181 123 F HN 0.284 nan 8.300 nan 0.000 0.435 124 L N 4.190 125.042 121.223 -0.619 0.000 2.410 124 L HA 0.688 -7.348 4.340 -20.628 0.000 0.273 124 L C 0.400 177.172 176.870 -0.164 0.000 1.144 124 L CA 0.622 55.267 54.840 -0.325 0.000 0.863 124 L CB 0.269 42.322 42.059 -0.010 0.000 1.140 124 L HN 0.881 nan 8.230 nan 0.000 0.463 125 G N 3.820 112.512 108.800 -0.180 0.000 2.362 125 G HA2 -0.025 -8.442 3.960 -20.628 0.000 0.288 125 G HA3 -0.025 -8.442 3.960 -20.628 0.000 0.288 125 G C -2.360 172.411 174.900 -0.215 0.000 1.305 125 G CA -0.884 44.168 45.100 -0.080 0.000 0.910 125 G HN 0.537 nan 8.290 nan 0.000 0.518 126 W N 0.991 122.207 121.300 -0.141 0.000 2.314 126 W HA 0.596 -7.121 4.660 -20.628 0.000 0.310 126 W C 0.735 177.176 176.519 -0.131 0.000 1.075 126 W CA 0.339 57.588 57.345 -0.159 0.000 1.253 126 W CB 1.807 31.161 29.460 -0.177 0.000 1.238 126 W HN 0.877 nan 8.180 nan 0.000 0.440 127 G N 2.116 110.926 108.800 0.017 0.000 2.395 127 G HA2 0.569 -7.848 3.960 -20.628 0.000 0.283 127 G HA3 0.569 -7.848 3.960 -20.628 0.000 0.283 127 G C -0.454 174.461 174.900 0.025 0.000 1.178 127 G CA -0.342 44.749 45.100 -0.014 0.000 0.837 127 G HN 0.461 nan 8.290 nan 0.000 0.518 128 S N 0.533 116.235 115.700 0.002 0.000 2.656 128 S HA 0.593 -7.314 4.470 -20.628 0.000 0.273 128 S C -0.946 173.646 174.600 -0.013 0.000 1.168 128 S CA -1.000 57.202 58.200 0.003 0.000 0.817 128 S CB 1.226 64.430 63.200 0.007 0.000 1.146 128 S HN 0.519 nan 8.310 nan 0.000 0.475 129 L N 1.797 123.013 121.223 -0.012 0.000 2.257 129 L HA 0.465 -7.572 4.340 -20.628 0.000 0.290 129 L C 1.463 178.321 176.870 -0.020 0.000 1.044 129 L CA -0.358 54.472 54.840 -0.017 0.000 0.810 129 L CB 1.092 43.142 42.059 -0.015 0.000 1.193 129 L HN 0.992 nan 8.230 nan 0.000 0.425 130 E N 2.308 122.494 120.200 -0.023 0.000 2.030 130 E HA -0.041 -8.068 4.350 -20.628 0.000 0.189 130 E C 0.465 177.052 176.600 -0.022 0.000 0.974 130 E CA 0.800 57.186 56.400 -0.023 0.000 0.807 130 E CB 0.510 30.195 29.700 -0.025 0.000 0.771 130 E HN 0.754 nan 8.360 nan 0.000 0.451 131 S N -0.948 114.738 115.700 -0.023 0.000 2.851 131 S HA 0.238 -7.669 4.470 -20.628 0.000 0.317 131 S C 0.455 175.039 174.600 -0.027 0.000 1.144 131 S CA -0.710 57.475 58.200 -0.024 0.000 0.862 131 S CB 0.990 64.177 63.200 -0.023 0.000 1.259 131 S HN 0.250 nan 8.310 nan 0.000 0.564 132 K N -0.104 120.277 120.400 -0.032 0.000 2.504 132 K HA 0.113 -7.944 4.320 -20.628 0.000 0.195 132 K C -0.053 176.523 176.600 -0.040 0.000 1.036 132 K CA 1.050 57.312 56.287 -0.041 0.000 0.984 132 K CB -0.524 31.947 32.500 -0.049 0.000 0.788 132 K HN 0.428 nan 8.250 nan 0.000 0.488 133 N N 0.289 118.971 118.700 -0.031 0.000 2.159 133 N HA 0.112 -7.524 4.740 -20.628 0.000 0.217 133 N C -1.402 174.102 175.510 -0.010 0.000 1.223 133 N CA -0.128 52.907 53.050 -0.024 0.000 0.896 133 N CB 1.616 40.086 38.487 -0.028 0.000 1.064 133 N HN -0.114 nan 8.380 nan 0.000 0.518 134 V N 1.163 121.067 119.914 -0.015 0.000 2.525 134 V HA 0.413 -7.844 4.120 -20.628 0.000 0.299 134 V C -0.544 175.534 176.094 -0.026 0.000 1.034 134 V CA -0.880 61.410 62.300 -0.017 0.000 0.863 134 V CB 2.219 34.030 31.823 -0.020 0.000 0.999 134 V HN -0.259 nan 8.190 nan 0.000 0.423 135 V N 5.547 125.439 119.914 -0.037 0.000 2.370 135 V HA 0.417 -7.840 4.120 -20.628 0.000 0.279 135 V C 0.030 176.077 176.094 -0.077 0.000 1.029 135 V CA -0.535 61.731 62.300 -0.056 0.000 0.870 135 V CB 1.850 33.629 31.823 -0.073 0.000 0.984 135 V HN 0.627 nan 8.190 nan 0.000 0.451 136 V N 7.146 127.024 119.914 -0.060 0.000 2.439 136 V HA 0.525 -7.732 4.120 -20.628 0.000 0.282 136 V C -0.257 175.800 176.094 -0.063 0.000 1.039 136 V CA -0.073 62.189 62.300 -0.062 0.000 0.913 136 V CB 1.919 33.718 31.823 -0.039 0.000 0.983 136 V HN 0.623 nan 8.190 nan 0.000 0.460 137 V N 8.517 128.382 119.914 -0.081 0.000 2.347 137 V HA 0.576 -7.680 4.120 -20.628 0.000 0.280 137 V C 0.310 176.398 176.094 -0.011 0.000 1.021 137 V CA -0.546 61.716 62.300 -0.062 0.000 0.847 137 V CB 1.210 32.958 31.823 -0.125 0.000 0.990 137 V HN 0.927 nan 8.190 nan 0.000 0.444 138 R N 2.443 122.967 120.500 0.039 0.000 2.782 138 R HA 0.474 -7.562 4.340 -20.628 0.000 0.258 138 R C 0.799 177.164 176.300 0.109 0.000 1.055 138 R CA -0.786 55.344 56.100 0.050 0.000 1.065 138 R CB 1.779 32.093 30.300 0.023 0.000 1.172 138 R HN 0.661 nan 8.270 nan 0.000 0.510 139 E N 0.159 120.407 120.200 0.080 0.000 2.107 139 E HA -0.099 -8.126 4.350 -20.628 0.000 0.191 139 E C 0.586 177.295 176.600 0.181 0.000 0.982 139 E CA 1.499 57.971 56.400 0.119 0.000 0.809 139 E CB 0.300 30.042 29.700 0.071 0.000 0.756 139 E HN 0.616 nan 8.360 nan 0.000 0.459 140 T N -4.332 110.225 114.554 0.004 0.000 2.831 140 T HA 0.570 -7.456 4.350 -20.628 0.000 0.287 140 T C 0.840 175.051 174.700 -0.815 0.000 1.070 140 T CA -0.290 61.612 62.100 -0.330 0.000 1.010 140 T CB 1.544 70.278 68.868 -0.223 0.000 1.264 140 T HN -0.099 nan 8.240 nan 0.000 0.532 141 A N -0.087 121.851 122.820 -1.469 0.000 2.067 141 A HA 0.115 -7.942 4.320 -20.628 0.000 0.219 141 A C 1.080 178.338 177.584 -0.543 0.000 1.158 141 A CA 0.815 52.096 52.037 -1.260 0.000 0.661 141 A CB -0.965 17.114 19.000 -1.536 0.000 0.801 141 A HN 0.852 nan 8.150 nan 0.000 0.452 142 D N 0.011 120.170 120.400 -0.401 0.000 2.434 142 D HA 0.115 -7.622 4.640 -20.628 0.000 0.252 142 D C -1.687 174.515 176.300 -0.164 0.000 1.185 142 D CA -1.645 52.220 54.000 -0.225 0.000 0.886 142 D CB 1.059 41.759 40.800 -0.166 0.000 1.148 142 D HN 0.054 nan 8.370 nan 0.000 0.483 143 P HA -0.082 nan 4.420 nan 0.000 0.225 143 P C 0.507 177.769 177.300 -0.064 0.000 1.148 143 P CA 1.061 64.111 63.100 -0.083 0.000 0.779 143 P CB 0.255 31.914 31.700 -0.068 0.000 0.780 144 K N -0.484 119.877 120.400 -0.066 0.000 2.387 144 K HA 0.127 -7.929 4.320 -20.628 0.000 0.198 144 K C 0.736 177.309 176.600 -0.045 0.000 1.022 144 K CA -0.032 56.225 56.287 -0.049 0.000 1.128 144 K CB 0.131 32.604 32.500 -0.044 0.000 0.853 144 K HN 0.226 nan 8.250 nan 0.000 0.523 145 S N 0.295 115.963 115.700 -0.054 0.000 2.645 145 S HA 0.469 -7.438 4.470 -20.628 0.000 0.266 145 S C 0.340 174.926 174.600 -0.022 0.000 1.258 145 S CA -1.032 57.144 58.200 -0.041 0.000 0.990 145 S CB 1.370 64.537 63.200 -0.055 0.000 0.967 145 S HN 0.163 nan 8.310 nan 0.000 0.556 146 A N 1.168 123.983 122.820 -0.008 0.000 2.477 146 A HA 0.458 -7.598 4.320 -20.628 0.000 0.246 146 A C 0.128 177.714 177.584 0.004 0.000 1.078 146 A CA -0.618 51.419 52.037 -0.000 0.000 0.770 146 A CB -0.326 18.679 19.000 0.007 0.000 1.011 146 A HN 0.876 nan 8.150 nan 0.000 0.494 147 V N 4.267 124.180 119.914 -0.001 0.000 2.470 147 V HA 0.040 -8.217 4.120 -20.628 0.000 0.276 147 V C 1.133 177.230 176.094 0.005 0.000 1.040 147 V CA 0.339 62.637 62.300 -0.003 0.000 1.008 147 V CB 0.715 32.531 31.823 -0.011 0.000 0.990 147 V HN 1.062 nan 8.190 nan 0.000 0.477 148 K N 2.772 123.176 120.400 0.006 0.000 2.128 148 K HA 0.203 -7.853 4.320 -20.628 0.000 0.202 148 K C 0.226 176.830 176.600 0.006 0.000 1.050 148 K CA 0.594 56.892 56.287 0.018 0.000 0.966 148 K CB 0.368 32.886 32.500 0.032 0.000 0.759 148 K HN 0.623 nan 8.250 nan 0.000 0.454 149 E N 0.440 120.618 120.200 -0.037 0.000 2.372 149 E HA 0.291 -7.735 4.350 -20.628 0.000 0.279 149 E C -1.181 175.353 176.600 -0.110 0.000 0.946 149 E CA -0.480 55.867 56.400 -0.088 0.000 0.769 149 E CB 2.408 31.982 29.700 -0.210 0.000 1.230 149 E HN 0.016 nan 8.360 nan 0.000 0.442 150 R N 1.633 122.076 120.500 -0.095 0.000 2.393 150 R HA 0.541 -7.496 4.340 -20.628 0.000 0.315 150 R C -0.505 175.740 176.300 -0.091 0.000 0.952 150 R CA -0.569 55.481 56.100 -0.084 0.000 0.842 150 R CB 1.195 31.468 30.300 -0.045 0.000 1.163 150 R HN 0.277 nan 8.270 nan 0.000 0.450 151 L N 3.702 124.862 121.223 -0.105 0.000 2.298 151 L HA 0.334 -7.702 4.340 -20.628 0.000 0.284 151 L C -0.027 176.859 176.870 0.026 0.000 1.013 151 L CA -0.973 53.837 54.840 -0.049 0.000 0.824 151 L CB 1.632 43.572 42.059 -0.198 0.000 1.221 151 L HN 0.324 nan 8.230 nan 0.000 0.418 152 Q N 3.085 122.934 119.800 0.081 0.000 2.296 152 Q HA 0.567 -7.469 4.340 -20.628 0.000 0.262 152 Q C -0.349 175.726 176.000 0.126 0.000 0.981 152 Q CA -0.110 55.732 55.803 0.066 0.000 0.905 152 Q CB 2.063 30.822 28.738 0.036 0.000 1.186 152 Q HN 0.696 nan 8.270 nan 0.000 0.399 153 A N 2.794 125.666 122.820 0.085 0.000 2.359 153 A HA 0.395 -7.661 4.320 -20.628 0.000 0.303 153 A C -0.076 177.539 177.584 0.052 0.000 1.066 153 A CA -0.681 51.427 52.037 0.119 0.000 0.730 153 A CB 0.909 19.975 19.000 0.111 0.000 1.211 153 A HN 0.541 nan 8.150 nan 0.000 0.439 154 D N 0.734 121.170 120.400 0.061 0.000 2.117 154 D HA -0.011 -7.747 4.640 -20.628 0.000 0.198 154 D C 0.171 176.256 176.300 -0.358 0.000 0.982 154 D CA 1.788 55.710 54.000 -0.129 0.000 0.828 154 D CB 0.042 40.816 40.800 -0.043 0.000 0.967 154 D HN 0.668 nan 8.370 nan 0.000 0.464 155 H N -0.972 118.209 119.070 0.186 0.000 2.679 155 H HA 0.481 -7.340 4.556 -20.628 0.000 0.360 155 H C -0.409 175.046 175.328 0.211 0.000 1.105 155 H CA -0.619 55.563 56.048 0.224 0.000 1.196 155 H CB 1.967 31.899 29.762 0.284 0.000 1.636 155 H HN -0.134 nan 8.280 nan 0.000 0.531 156 I N 3.363 124.105 120.570 0.287 0.000 2.436 156 I HA 0.112 -8.095 4.170 -20.628 0.000 0.289 156 I C -0.734 175.536 176.117 0.256 0.000 1.010 156 I CA -0.810 60.607 61.300 0.196 0.000 1.098 156 I CB 2.119 40.166 38.000 0.079 0.000 1.266 156 I HN 0.153 nan 8.210 nan 0.000 0.434 157 L N 7.907 129.263 121.223 0.222 0.000 2.287 157 L HA 0.520 -7.517 4.340 -20.628 0.000 0.287 157 L C -0.911 176.038 176.870 0.132 0.000 1.022 157 L CA -0.223 54.746 54.840 0.215 0.000 0.814 157 L CB 1.145 43.322 42.059 0.196 0.000 1.217 157 L HN 0.427 nan 8.230 nan 0.000 0.420 158 L N 6.297 127.593 121.223 0.121 0.000 2.261 158 L HA 0.624 -7.413 4.340 -20.628 0.000 0.289 158 L C 0.426 177.347 176.870 0.087 0.000 1.059 158 L CA -0.211 54.679 54.840 0.083 0.000 0.816 158 L CB 0.980 43.080 42.059 0.068 0.000 1.191 158 L HN 0.854 nan 8.230 nan 0.000 0.431 159 A N 1.243 124.106 122.820 0.071 0.000 3.234 159 A HA 0.278 -7.779 4.320 -20.628 0.000 0.247 159 A C 0.839 178.459 177.584 0.060 0.000 0.938 159 A CA -0.234 51.847 52.037 0.074 0.000 1.039 159 A CB -0.063 18.985 19.000 0.080 0.000 1.197 159 A HN 0.706 nan 8.150 nan 0.000 0.498 160 T N -3.258 111.330 114.554 0.056 0.000 3.107 160 T HA 0.455 -7.571 4.350 -20.628 0.000 0.249 160 T C 1.349 176.099 174.700 0.085 0.000 1.096 160 T CA 1.023 63.150 62.100 0.045 0.000 1.012 160 T CB -0.089 68.795 68.868 0.028 0.000 0.977 160 T HN 2.013 nan 8.240 nan 0.000 0.527 161 G N 1.910 110.772 108.800 0.102 0.000 2.528 161 G HA2 -0.127 -8.543 3.960 -20.628 0.000 0.262 161 G HA3 -0.127 -8.543 3.960 -20.628 0.000 0.262 161 G C -0.007 174.993 174.900 0.166 0.000 1.200 161 G CA 0.121 45.302 45.100 0.135 0.000 0.951 161 G HN 1.506 nan 8.290 nan 0.000 0.566 162 S N -1.574 114.256 115.700 0.218 0.000 2.811 162 S HA 0.824 -7.082 4.470 -20.628 0.000 0.311 162 S C -0.903 173.945 174.600 0.414 0.000 1.152 162 S CA 0.071 58.425 58.200 0.257 0.000 0.864 162 S CB 2.698 66.016 63.200 0.197 0.000 1.226 162 S HN 1.667 nan 8.310 nan 0.000 0.541 163 W N 0.626 121.981 121.300 0.092 0.000 3.296 163 W HA 0.410 -7.305 4.660 -20.625 0.000 0.314 163 W C -3.393 173.169 176.519 0.072 0.000 1.238 163 W CA -2.155 55.245 57.345 0.092 0.000 1.193 163 W CB 1.793 31.313 29.460 0.099 0.000 1.383 163 W HN 0.471 nan 8.180 nan 0.000 0.545 164 P HA -0.033 nan 4.420 nan 0.000 0.268 164 P C -0.739 176.536 177.300 -0.043 0.000 1.204 164 P CA 0.598 63.556 63.100 -0.236 0.000 0.768 164 P CB 0.582 32.037 31.700 -0.408 0.000 0.842 165 Q N 3.033 122.836 119.800 0.005 0.000 2.286 165 Q HA 0.349 -7.687 4.340 -20.628 0.000 0.257 165 Q C -0.906 175.102 176.000 0.013 0.000 0.941 165 Q CA -0.259 55.570 55.803 0.044 0.000 0.912 165 Q CB 0.429 29.196 28.738 0.048 0.000 1.192 165 Q HN 0.328 nan 8.270 nan 0.000 0.410 166 M N 5.194 124.813 119.600 0.031 0.000 2.383 166 M HA 0.456 -7.441 4.480 -20.628 0.000 0.325 166 M C -2.300 174.009 176.300 0.015 0.000 1.092 166 M CA -2.377 52.930 55.300 0.012 0.000 0.961 166 M CB 1.146 33.756 32.600 0.016 0.000 1.672 166 M HN 0.560 nan 8.290 nan 0.000 0.438 167 P HA 0.345 nan 4.420 nan 0.000 0.278 167 P C -0.780 176.518 177.300 -0.003 0.000 1.238 167 P CA -0.464 62.637 63.100 0.002 0.000 0.794 167 P CB 0.618 32.314 31.700 -0.005 0.000 0.955 168 A N 4.430 127.250 122.820 0.000 0.000 2.990 168 A HA 0.422 -7.635 4.320 -20.628 0.000 0.282 168 A C 0.731 178.309 177.584 -0.011 0.000 1.688 168 A CA -0.527 51.507 52.037 -0.004 0.000 1.391 168 A CB -1.475 17.526 19.000 0.001 0.000 1.112 168 A HN 0.590 nan 8.150 nan 0.000 0.588 169 I N -1.796 118.762 120.570 -0.020 0.000 2.797 169 I HA 0.675 -7.532 4.170 -20.628 0.000 0.307 169 I C -2.845 173.255 176.117 -0.028 0.000 1.033 169 I CA -3.209 58.076 61.300 -0.025 0.000 1.071 169 I CB 1.863 39.841 38.000 -0.037 0.000 1.255 169 I HN 0.041 nan 8.210 nan 0.000 0.445 170 P HA 0.166 nan 4.420 nan 0.000 0.264 170 P C 0.619 177.909 177.300 -0.015 0.000 1.193 170 P CA 0.915 64.005 63.100 -0.017 0.000 0.763 170 P CB 0.549 32.247 31.700 -0.003 0.000 0.810 171 G N 3.058 111.835 108.800 -0.039 0.000 2.132 171 G HA2 -0.310 -8.727 3.960 -20.628 0.000 0.234 171 G HA3 -0.310 -8.727 3.960 -20.628 0.000 0.234 171 G C 0.758 175.600 174.900 -0.097 0.000 0.989 171 G CA 0.075 45.150 45.100 -0.042 0.000 0.676 171 G HN 0.544 nan 8.290 nan 0.000 0.522 172 I N 1.667 122.178 120.570 -0.099 0.000 2.454 172 I HA -0.079 -8.286 4.170 -20.628 0.000 0.254 172 I C 2.584 178.636 176.117 -0.108 0.000 1.156 172 I CA 2.243 63.496 61.300 -0.078 0.000 1.433 172 I CB -0.078 37.892 38.000 -0.051 0.000 1.082 172 I HN 0.504 nan 8.210 nan 0.000 0.432 173 E N -0.530 119.544 120.200 -0.210 0.000 2.333 173 E HA -0.260 -8.287 4.350 -20.628 0.000 0.198 173 E C 1.157 177.635 176.600 -0.203 0.000 1.007 173 E CA 1.351 57.617 56.400 -0.224 0.000 0.845 173 E CB -0.843 28.688 29.700 -0.281 0.000 0.766 173 E HN 0.602 nan 8.360 nan 0.000 0.507 174 H N -0.206 118.855 119.070 -0.015 0.000 2.539 174 H HA 0.217 -7.604 4.556 -20.628 0.000 0.267 174 H C 0.411 175.717 175.328 -0.036 0.000 0.982 174 H CA -0.152 55.883 56.048 -0.022 0.000 1.146 174 H CB -0.118 29.629 29.762 -0.026 0.000 1.382 174 H HN 0.134 nan 8.280 nan 0.000 0.577 175 C N 1.526 120.847 119.300 0.035 0.000 2.358 175 C HA 0.610 -7.307 4.460 -20.628 0.000 0.354 175 C C 1.121 176.097 174.990 -0.024 0.000 1.183 175 C CA -0.826 58.187 59.018 -0.008 0.000 2.150 175 C CB 1.253 28.974 27.740 -0.031 0.000 2.361 175 C HN 0.419 nan 8.230 nan 0.000 0.535 176 I N 0.102 120.641 120.570 -0.051 0.000 3.264 176 I HA 0.882 -7.325 4.170 -20.628 0.000 0.309 176 I C -0.012 176.034 176.117 -0.119 0.000 1.099 176 I CA -0.234 61.024 61.300 -0.069 0.000 0.989 176 I CB 1.906 39.871 38.000 -0.058 0.000 1.250 176 I HN 0.673 nan 8.210 nan 0.000 0.478 177 S N 0.070 115.668 115.700 -0.170 0.000 2.806 177 S HA 0.378 -7.529 4.470 -20.628 0.000 0.315 177 S C 0.961 175.373 174.600 -0.313 0.000 1.127 177 S CA 0.046 58.105 58.200 -0.235 0.000 0.918 177 S CB 1.082 64.118 63.200 -0.273 0.000 1.240 177 S HN 0.929 nan 8.310 nan 0.000 0.552 178 S N 1.297 116.776 115.700 -0.367 0.000 2.400 178 S HA -0.205 -8.112 4.470 -20.628 0.000 0.232 178 S C 1.480 175.950 174.600 -0.217 0.000 1.025 178 S CA 1.488 59.394 58.200 -0.490 0.000 0.993 178 S CB -1.176 61.861 63.200 -0.271 0.000 0.808 178 S HN 0.682 nan 8.310 nan 0.000 0.478 179 N N 2.216 120.790 118.700 -0.211 0.000 2.036 179 N HA -0.123 -7.760 4.740 -20.628 0.000 0.195 179 N C 1.718 177.156 175.510 -0.120 0.000 1.037 179 N CA 2.027 54.910 53.050 -0.277 0.000 0.855 179 N CB -0.635 37.287 38.487 -0.943 0.000 1.033 179 N HN 0.586 nan 8.380 nan 0.000 0.423 180 E N 0.424 120.515 120.200 -0.182 0.000 2.152 180 E HA 0.110 -7.917 4.350 -20.628 0.000 0.192 180 E C 1.907 178.638 176.600 0.218 0.000 0.983 180 E CA 0.843 57.311 56.400 0.113 0.000 0.818 180 E CB -0.363 29.364 29.700 0.046 0.000 0.758 180 E HN 0.365 nan 8.360 nan 0.000 0.467 181 A N 0.297 123.122 122.820 0.008 0.000 1.986 181 A HA -0.200 -8.257 4.320 -20.628 0.000 0.220 181 A C 1.704 179.376 177.584 0.147 0.000 1.171 181 A CA 1.227 53.264 52.037 0.000 0.000 0.640 181 A CB -0.840 17.845 19.000 -0.526 0.000 0.811 181 A HN 0.255 nan 8.150 nan 0.000 0.451 182 F N -2.370 117.696 119.950 0.192 0.000 2.546 182 F HA -0.033 -7.882 4.527 -20.626 0.000 0.298 182 F C 1.210 176.825 175.800 -0.308 0.000 1.120 182 F CA 1.014 58.997 58.000 -0.028 0.000 1.456 182 F CB -0.230 38.706 39.000 -0.107 0.000 1.088 182 F HN 0.346 nan 8.300 nan 0.000 0.572 183 Y N -1.261 119.281 120.300 0.403 0.000 2.588 183 Y HA 0.315 -7.510 4.550 -20.626 0.000 0.247 183 Y C 0.425 176.522 175.900 0.328 0.000 1.157 183 Y CA -0.860 57.441 58.100 0.334 0.000 1.215 183 Y CB -0.155 38.508 38.460 0.339 0.000 1.245 183 Y HN -0.285 nan 8.280 nan 0.000 0.534 184 L N 3.221 124.739 121.223 0.491 0.000 2.601 184 L HA -0.062 -8.099 4.340 -20.628 0.000 0.277 184 L C -1.362 175.815 176.870 0.512 0.000 1.219 184 L CA -0.797 54.308 54.840 0.441 0.000 0.915 184 L CB 0.525 42.814 42.059 0.383 0.000 1.160 184 L HN 0.040 nan 8.230 nan 0.000 0.494 185 P HA -0.104 nan 4.420 nan 0.000 0.219 185 P C -0.366 177.125 177.300 0.318 0.000 1.150 185 P CA 0.995 64.264 63.100 0.282 0.000 0.814 185 P CB 0.245 32.051 31.700 0.176 0.000 0.787 186 E N -1.415 118.904 120.200 0.198 0.000 2.408 186 E HA 0.452 -7.575 4.350 -20.628 0.000 0.275 186 E C -3.044 173.327 176.600 -0.382 0.000 0.935 186 E CA -2.789 53.643 56.400 0.054 0.000 0.775 186 E CB 1.711 31.432 29.700 0.036 0.000 1.277 186 E HN -0.202 nan 8.360 nan 0.000 0.455 187 P HA 0.218 nan 4.420 nan 0.000 0.281 187 P C -2.405 174.641 177.300 -0.424 0.000 1.252 187 P CA -1.461 61.128 63.100 -0.853 0.000 0.778 187 P CB 0.315 31.708 31.700 -0.511 0.000 0.895 188 P HA 0.143 nan 4.420 nan 0.000 0.271 188 P C 0.904 178.062 177.300 -0.237 0.000 1.216 188 P CA -0.088 62.805 63.100 -0.345 0.000 0.771 188 P CB 1.175 32.573 31.700 -0.503 0.000 0.864 189 R N 3.302 123.708 120.500 -0.157 0.000 2.066 189 R HA -0.042 -8.079 4.340 -20.628 0.000 0.232 189 R C 0.384 176.623 176.300 -0.102 0.000 1.131 189 R CA 1.095 57.135 56.100 -0.099 0.000 0.955 189 R CB 0.210 30.470 30.300 -0.067 0.000 0.851 189 R HN 0.480 nan 8.270 nan 0.000 0.432 190 R N -0.084 120.342 120.500 -0.123 0.000 2.534 190 R HA 0.448 -7.589 4.340 -20.628 0.000 0.301 190 R C -1.588 174.604 176.300 -0.180 0.000 0.961 190 R CA -0.578 55.452 56.100 -0.116 0.000 0.871 190 R CB 2.799 33.053 30.300 -0.076 0.000 1.170 190 R HN -0.008 nan 8.270 nan 0.000 0.446 191 V N 4.322 124.124 119.914 -0.187 0.000 2.760 191 V HA 0.506 -7.751 4.120 -20.628 0.000 0.309 191 V C -1.733 174.285 176.094 -0.127 0.000 1.077 191 V CA -1.001 61.144 62.300 -0.258 0.000 0.910 191 V CB 2.140 33.628 31.823 -0.558 0.000 1.008 191 V HN 0.621 nan 8.190 nan 0.000 0.424 192 L N 6.253 127.416 121.223 -0.100 0.000 2.287 192 L HA 0.777 -7.260 4.340 -20.628 0.000 0.287 192 L C 0.255 177.119 176.870 -0.011 0.000 1.022 192 L CA 0.372 55.200 54.840 -0.019 0.000 0.814 192 L CB 1.831 43.895 42.059 0.008 0.000 1.217 192 L HN 0.914 nan 8.230 nan 0.000 0.420 193 T N 2.427 117.008 114.554 0.045 0.000 2.767 193 T HA 0.604 -7.423 4.350 -20.628 0.000 0.288 193 T C -0.291 174.448 174.700 0.065 0.000 0.963 193 T CA -0.705 61.432 62.100 0.062 0.000 1.019 193 T CB 1.014 69.954 68.868 0.120 0.000 0.923 193 T HN 0.321 nan 8.240 nan 0.000 0.468 194 V N 3.737 123.677 119.914 0.043 0.000 2.350 194 V HA 0.806 -7.451 4.120 -20.628 0.000 0.276 194 V C 0.893 177.031 176.094 0.073 0.000 1.028 194 V CA 0.312 62.652 62.300 0.067 0.000 0.860 194 V CB 0.150 31.995 31.823 0.036 0.000 0.990 194 V HN 1.502 nan 8.190 nan 0.000 0.453 195 G N 3.587 112.464 108.800 0.129 0.000 2.335 195 G HA2 0.352 -8.064 3.960 -20.628 0.000 0.592 195 G HA3 0.352 -8.064 3.960 -20.628 0.000 0.592 195 G C 0.100 175.072 174.900 0.119 0.000 1.442 195 G CA -0.300 44.894 45.100 0.156 0.000 0.976 195 G HN 1.010 nan 8.290 nan 0.000 0.652 196 G N -0.610 108.215 108.800 0.042 0.000 3.519 196 G HA2 0.635 -7.781 3.960 -20.628 0.000 0.269 196 G HA3 0.635 -7.781 3.960 -20.628 0.000 0.269 196 G C 0.853 175.621 174.900 -0.219 0.000 1.028 196 G CA 1.192 46.097 45.100 -0.326 0.000 0.809 196 G HN 1.350 nan 8.290 nan 0.000 0.521 197 G N 0.141 108.905 108.800 -0.059 0.000 2.535 197 G HA2 0.386 -8.031 3.960 -20.628 0.000 0.282 197 G HA3 0.386 -8.031 3.960 -20.628 0.000 0.282 197 G C 0.857 175.778 174.900 0.034 0.000 1.350 197 G CA -0.260 44.865 45.100 0.042 0.000 1.039 197 G HN 0.261 nan 8.290 nan 0.000 0.509 198 F N -1.064 118.916 119.950 0.049 0.000 2.186 198 F HA 0.081 -7.770 4.527 -20.631 0.000 0.299 198 F C 2.147 177.981 175.800 0.057 0.000 1.090 198 F CA 0.873 58.883 58.000 0.018 0.000 1.307 198 F CB -0.440 38.595 39.000 0.059 0.000 1.019 198 F HN 0.177 nan 8.300 nan 0.000 0.489 199 I N 0.310 120.426 120.570 -0.756 0.000 2.226 199 I HA -0.264 -8.470 4.170 -20.628 0.000 0.245 199 I C 2.865 178.975 176.117 -0.012 0.000 1.100 199 I CA 1.589 62.654 61.300 -0.392 0.000 1.374 199 I CB -0.695 37.038 38.000 -0.444 0.000 1.057 199 I HN 0.383 nan 8.210 nan 0.000 0.413 200 S N 0.240 115.910 115.700 -0.050 0.000 2.368 200 S HA -0.120 -8.027 4.470 -20.628 0.000 0.224 200 S C 2.070 176.706 174.600 0.060 0.000 1.029 200 S CA 1.279 59.499 58.200 0.033 0.000 0.988 200 S CB -0.164 63.041 63.200 0.009 0.000 0.838 200 S HN 0.225 nan 8.310 nan 0.000 0.462 201 V N 1.620 121.543 119.914 0.016 0.000 2.379 201 V HA -0.091 -8.348 4.120 -20.628 0.000 0.245 201 V C 2.431 178.533 176.094 0.014 0.000 1.044 201 V CA 1.859 64.162 62.300 0.005 0.000 1.036 201 V CB -0.706 31.094 31.823 -0.039 0.000 0.664 201 V HN 0.506 nan 8.190 nan 0.000 0.453 202 E N -0.434 119.777 120.200 0.019 0.000 2.051 202 E HA -0.198 -8.225 4.350 -20.628 0.000 0.192 202 E C 2.094 178.596 176.600 -0.163 0.000 0.991 202 E CA 1.511 57.884 56.400 -0.044 0.000 0.799 202 E CB -0.200 29.487 29.700 -0.022 0.000 0.748 202 E HN 0.570 nan 8.360 nan 0.000 0.449 203 F N 0.768 120.642 119.950 -0.126 0.000 2.186 203 F HA -0.099 -7.947 4.527 -20.627 0.000 0.299 203 F C 2.347 178.056 175.800 -0.152 0.000 1.090 203 F CA 0.933 58.773 58.000 -0.268 0.000 1.307 203 F CB -0.421 38.412 39.000 -0.278 0.000 1.019 203 F HN 0.001 nan 8.300 nan 0.000 0.489 204 A N 0.232 123.163 122.820 0.185 0.000 1.917 204 A HA -0.176 -8.233 4.320 -20.628 0.000 0.219 204 A C 2.565 180.227 177.584 0.130 0.000 1.182 204 A CA 2.018 54.173 52.037 0.197 0.000 0.633 204 A CB -1.627 17.445 19.000 0.121 0.000 0.819 204 A HN 0.410 nan 8.150 nan 0.000 0.448 205 G N -0.462 108.366 108.800 0.046 0.000 2.422 205 G HA2 -0.112 -8.529 3.960 -20.628 0.000 0.218 205 G HA3 -0.112 -8.529 3.960 -20.628 0.000 0.218 205 G C 1.516 176.442 174.900 0.043 0.000 1.140 205 G CA 1.017 46.135 45.100 0.030 0.000 0.775 205 G HN 0.492 nan 8.290 nan 0.000 0.545 206 I N -0.226 120.322 120.570 -0.036 0.000 2.163 206 I HA -0.073 -8.280 4.170 -20.628 0.000 0.240 206 I C 2.362 178.588 176.117 0.182 0.000 1.081 206 I CA 0.776 62.071 61.300 -0.009 0.000 1.353 206 I CB -0.233 37.584 38.000 -0.304 0.000 1.054 206 I HN 0.033 nan 8.210 nan 0.000 0.407 207 F N 1.071 121.136 119.950 0.190 0.000 2.171 207 F HA -0.212 -8.064 4.527 -20.631 0.000 0.300 207 F C 2.339 178.195 175.800 0.093 0.000 1.090 207 F CA 1.404 59.468 58.000 0.107 0.000 1.293 207 F CB -1.262 37.758 39.000 0.033 0.000 1.013 207 F HN 0.156 nan 8.300 nan 0.000 0.486 208 N N 0.356 119.212 118.700 0.261 0.000 2.223 208 N HA -0.143 -7.780 4.740 -20.628 0.000 0.185 208 N C 1.713 177.294 175.510 0.119 0.000 1.016 208 N CA 1.352 54.491 53.050 0.148 0.000 0.863 208 N CB -0.203 38.341 38.487 0.095 0.000 0.983 208 N HN 0.189 nan 8.380 nan 0.000 0.429 209 A N -1.437 121.471 122.820 0.147 0.000 1.975 209 A HA 0.063 -7.994 4.320 -20.628 0.000 0.215 209 A C 1.308 178.868 177.584 -0.040 0.000 1.170 209 A CA 0.612 52.672 52.037 0.038 0.000 0.656 209 A CB -0.512 18.495 19.000 0.012 0.000 0.821 209 A HN 0.430 nan 8.150 nan 0.000 0.449 210 Y N 0.965 121.367 120.300 0.171 0.000 2.457 210 Y HA 0.118 -7.707 4.550 -20.625 0.000 0.263 210 Y C 0.904 176.866 175.900 0.103 0.000 1.164 210 Y CA 0.013 58.234 58.100 0.202 0.000 1.274 210 Y CB 0.181 38.887 38.460 0.410 0.000 1.097 210 Y HN 0.294 nan 8.280 nan 0.000 0.523 211 K N 2.275 122.772 120.400 0.162 0.000 2.451 211 K HA 0.115 -7.941 4.320 -20.628 0.000 0.280 211 K C -2.643 173.984 176.600 0.045 0.000 1.020 211 K CA -1.451 54.874 56.287 0.064 0.000 1.008 211 K CB 0.111 32.634 32.500 0.039 0.000 0.917 211 K HN -0.035 nan 8.250 nan 0.000 0.478 212 P HA 0.128 nan 4.420 nan 0.000 0.271 212 P C -2.496 174.812 177.300 0.013 0.000 1.244 212 P CA -1.248 61.865 63.100 0.021 0.000 0.793 212 P CB -0.624 31.079 31.700 0.005 0.000 0.984 213 P HA 0.094 nan 4.420 nan 0.000 0.267 213 P C 0.836 178.138 177.300 0.004 0.000 1.200 213 P CA 1.040 64.148 63.100 0.013 0.000 0.772 213 P CB -0.143 31.567 31.700 0.016 0.000 0.855 214 G N 1.045 109.847 108.800 0.003 0.000 2.160 214 G HA2 -0.134 -8.550 3.960 -20.628 0.000 0.251 214 G HA3 -0.134 -8.550 3.960 -20.628 0.000 0.251 214 G C 0.565 175.460 174.900 -0.009 0.000 1.008 214 G CA -0.155 44.943 45.100 -0.003 0.000 0.724 214 G HN 0.889 nan 8.290 nan 0.000 0.514 215 G N -0.997 107.799 108.800 -0.008 0.000 2.504 215 G HA2 0.667 -7.749 3.960 -20.628 0.000 0.288 215 G HA3 0.667 -7.749 3.960 -20.628 0.000 0.288 215 G C -0.412 174.480 174.900 -0.013 0.000 1.182 215 G CA -0.043 45.047 45.100 -0.015 0.000 0.894 215 G HN 0.627 nan 8.290 nan 0.000 0.521 216 K N 0.023 120.410 120.400 -0.021 0.000 2.565 216 K HA 0.462 -7.595 4.320 -20.628 0.000 0.251 216 K C -1.229 175.361 176.600 -0.017 0.000 0.956 216 K CA -0.524 55.754 56.287 -0.015 0.000 0.809 216 K CB 1.936 34.426 32.500 -0.017 0.000 1.267 216 K HN 0.307 nan 8.250 nan 0.000 0.438 217 V N 3.624 123.541 119.914 0.005 0.000 2.394 217 V HA 0.574 -7.682 4.120 -20.628 0.000 0.282 217 V C -0.447 175.659 176.094 0.019 0.000 1.031 217 V CA -0.516 61.797 62.300 0.021 0.000 0.881 217 V CB 1.706 33.575 31.823 0.077 0.000 0.982 217 V HN 0.850 nan 8.190 nan 0.000 0.451 218 T N 6.302 120.868 114.554 0.020 0.000 2.824 218 T HA 0.615 -7.411 4.350 -20.628 0.000 0.282 218 T C -0.688 174.041 174.700 0.049 0.000 0.993 218 T CA -0.327 61.789 62.100 0.026 0.000 0.967 218 T CB 1.573 70.457 68.868 0.026 0.000 0.960 218 T HN 0.548 nan 8.240 nan 0.000 0.441 219 L N 3.964 125.215 121.223 0.048 0.000 2.341 219 L HA 0.788 -7.248 4.340 -20.628 0.000 0.278 219 L C -0.377 176.539 176.870 0.076 0.000 1.005 219 L CA -0.681 54.199 54.840 0.067 0.000 0.818 219 L CB 0.583 42.675 42.059 0.055 0.000 1.259 219 L HN 0.976 nan 8.230 nan 0.000 0.418 220 C N 2.834 122.204 119.300 0.118 0.000 2.493 220 C HA 0.755 -7.162 4.460 -20.628 0.000 0.326 220 C C -0.844 174.274 174.990 0.212 0.000 1.200 220 C CA -0.914 58.187 59.018 0.139 0.000 1.739 220 C CB 0.946 28.811 27.740 0.209 0.000 2.300 220 C HN 0.842 nan 8.230 nan 0.000 0.500 221 Y N 2.622 122.940 120.300 0.030 0.000 2.441 221 Y HA 0.514 -7.312 4.550 -20.626 0.000 0.334 221 Y C 1.116 177.033 175.900 0.028 0.000 1.061 221 Y CA -0.973 57.145 58.100 0.032 0.000 1.032 221 Y CB 1.385 39.858 38.460 0.022 0.000 1.266 221 Y HN 0.921 nan 8.280 nan 0.000 0.441 222 R N 2.060 122.239 120.500 -0.534 0.000 2.235 222 R HA 0.113 -7.923 4.340 -20.628 0.000 0.213 222 R C -0.705 175.270 176.300 -0.542 0.000 1.059 222 R CA 1.088 56.943 56.100 -0.409 0.000 0.997 222 R CB -0.204 29.950 30.300 -0.243 0.000 0.884 222 R HN 0.641 nan 8.270 nan 0.000 0.462 223 N N -0.309 117.729 118.700 -1.103 0.000 2.879 223 N HA 0.102 -7.535 4.740 -20.628 0.000 0.329 223 N C -0.210 175.184 175.510 -0.194 0.000 1.337 223 N CA -0.809 51.904 53.050 -0.562 0.000 0.844 223 N CB 0.519 38.789 38.487 -0.362 0.000 1.236 223 N HN -0.037 nan 8.380 nan 0.000 0.601 224 N N -0.127 118.600 118.700 0.045 0.000 2.354 224 N HA -0.010 -7.647 4.740 -20.628 0.000 0.179 224 N C -0.726 174.891 175.510 0.178 0.000 1.021 224 N CA 0.769 53.874 53.050 0.093 0.000 0.887 224 N CB 0.301 38.823 38.487 0.058 0.000 0.974 224 N HN 0.253 nan 8.380 nan 0.000 0.437 225 L N 1.334 122.739 121.223 0.304 0.000 2.543 225 L HA 0.391 -7.645 4.340 -20.628 0.000 0.265 225 L C -0.410 176.494 176.870 0.057 0.000 0.945 225 L CA -0.744 54.199 54.840 0.170 0.000 0.869 225 L CB 1.424 43.538 42.059 0.092 0.000 1.294 225 L HN 0.034 nan 8.230 nan 0.000 0.405 226 I N 2.415 122.901 120.570 -0.140 0.000 3.112 226 I HA 0.265 -7.942 4.170 -20.628 0.000 0.284 226 I C 0.303 176.256 176.117 -0.273 0.000 1.227 226 I CA -0.435 60.587 61.300 -0.462 0.000 1.369 226 I CB 0.222 38.038 38.000 -0.306 0.000 1.376 226 I HN 0.810 nan 8.210 nan 0.000 0.608 227 L N 1.046 122.104 121.223 -0.274 0.000 3.548 227 L HA -0.174 -8.211 4.340 -20.628 0.000 0.443 227 L C 0.657 177.632 176.870 0.176 0.000 1.286 227 L CA 0.328 55.160 54.840 -0.013 0.000 0.863 227 L CB -1.390 40.586 42.059 -0.139 0.000 1.734 227 L HN 0.763 nan 8.230 nan 0.000 0.873 228 R N 0.534 121.084 120.500 0.083 0.000 2.638 228 R HA 0.244 -7.793 4.340 -20.628 0.000 0.268 228 R C 1.477 177.843 176.300 0.109 0.000 1.006 228 R CA 1.588 57.753 56.100 0.109 0.000 1.088 228 R CB 0.298 30.666 30.300 0.115 0.000 0.950 228 R HN 0.505 nan 8.270 nan 0.000 0.419 229 G N 2.618 111.430 108.800 0.019 0.000 2.234 229 G HA2 -0.279 -8.696 3.960 -20.628 0.000 0.235 229 G HA3 -0.279 -8.696 3.960 -20.628 0.000 0.235 229 G C -0.130 174.605 174.900 -0.275 0.000 0.997 229 G CA -0.158 44.859 45.100 -0.139 0.000 0.623 229 G HN 0.492 nan 8.290 nan 0.000 0.514 230 F N 1.315 121.233 119.950 -0.054 0.000 2.408 230 F HA 0.560 -7.285 4.527 -20.619 0.000 0.325 230 F C 0.820 176.533 175.800 -0.144 0.000 1.082 230 F CA -0.271 57.675 58.000 -0.090 0.000 1.032 230 F CB 0.778 39.736 39.000 -0.070 0.000 1.259 230 F HN 0.086 nan 8.300 nan 0.000 0.503 231 D N 1.088 121.466 120.400 -0.035 0.000 2.533 231 D HA -0.085 -7.822 4.640 -20.628 0.000 0.236 231 D C 1.085 177.367 176.300 -0.029 0.000 1.137 231 D CA 0.542 54.442 54.000 -0.167 0.000 0.867 231 D CB 0.656 41.297 40.800 -0.264 0.000 1.170 231 D HN 0.648 nan 8.370 nan 0.000 0.474 232 E N 1.618 121.808 120.200 -0.017 0.000 2.072 232 E HA -0.185 -8.211 4.350 -20.628 0.000 0.191 232 E C 1.411 178.021 176.600 0.016 0.000 0.985 232 E CA 1.245 57.654 56.400 0.015 0.000 0.801 232 E CB 0.184 29.902 29.700 0.031 0.000 0.750 232 E HN 0.657 nan 8.360 nan 0.000 0.452 233 T N 1.407 115.976 114.554 0.024 0.000 2.684 233 T HA -0.169 -8.196 4.350 -20.628 0.000 0.267 233 T C 1.907 176.605 174.700 -0.003 0.000 1.036 233 T CA 1.340 63.454 62.100 0.024 0.000 1.148 233 T CB -0.185 68.713 68.868 0.050 0.000 0.863 233 T HN 0.201 nan 8.240 nan 0.000 0.436 234 I N 0.569 121.130 120.570 -0.016 0.000 2.315 234 I HA -0.135 -8.341 4.170 -20.628 0.000 0.248 234 I C 2.775 178.855 176.117 -0.062 0.000 1.117 234 I CA 1.134 62.405 61.300 -0.049 0.000 1.404 234 I CB -0.325 37.645 38.000 -0.050 0.000 1.071 234 I HN 0.155 nan 8.210 nan 0.000 0.419 235 R N 0.650 121.128 120.500 -0.036 0.000 2.083 235 R HA -0.158 -8.195 4.340 -20.628 0.000 0.237 235 R C 2.236 178.512 176.300 -0.041 0.000 1.137 235 R CA 1.270 57.343 56.100 -0.045 0.000 0.951 235 R CB -0.259 30.037 30.300 -0.008 0.000 0.851 235 R HN 0.348 nan 8.270 nan 0.000 0.434 236 E N 0.474 120.662 120.200 -0.020 0.000 2.077 236 E HA -0.170 -8.197 4.350 -20.628 0.000 0.193 236 E C 1.931 178.519 176.600 -0.020 0.000 0.989 236 E CA 0.902 57.294 56.400 -0.013 0.000 0.800 236 E CB 0.021 29.720 29.700 -0.001 0.000 0.746 236 E HN 0.305 nan 8.360 nan 0.000 0.452 237 E N 0.544 120.728 120.200 -0.026 0.000 2.107 237 E HA -0.080 -8.106 4.350 -20.628 0.000 0.191 237 E C 2.319 178.896 176.600 -0.038 0.000 0.982 237 E CA 0.358 56.743 56.400 -0.026 0.000 0.809 237 E CB -0.080 29.599 29.700 -0.034 0.000 0.756 237 E HN 0.058 nan 8.360 nan 0.000 0.459 238 V N 1.283 121.158 119.914 -0.065 0.000 2.407 238 V HA -0.234 -8.490 4.120 -20.628 0.000 0.248 238 V C 2.316 178.373 176.094 -0.061 0.000 1.055 238 V CA 2.031 64.284 62.300 -0.078 0.000 1.049 238 V CB -0.800 30.948 31.823 -0.124 0.000 0.662 238 V HN 0.281 nan 8.190 nan 0.000 0.455 239 T N -0.130 114.391 114.554 -0.055 0.000 2.652 239 T HA -0.264 -8.290 4.350 -20.628 0.000 0.267 239 T C 1.919 176.593 174.700 -0.043 0.000 1.039 239 T CA 1.768 63.841 62.100 -0.045 0.000 1.153 239 T CB -0.265 68.583 68.868 -0.032 0.000 0.863 239 T HN 0.476 nan 8.240 nan 0.000 0.428 240 K N 0.803 121.183 120.400 -0.033 0.000 2.097 240 K HA -0.098 -8.154 4.320 -20.628 0.000 0.206 240 K C 2.616 179.182 176.600 -0.056 0.000 1.049 240 K CA 1.275 57.542 56.287 -0.035 0.000 0.933 240 K CB -0.133 32.364 32.500 -0.006 0.000 0.717 240 K HN 0.446 nan 8.250 nan 0.000 0.442 241 Q N 0.370 120.158 119.800 -0.020 0.000 2.212 241 Q HA 0.011 -8.025 4.340 -20.628 0.000 0.199 241 Q C 2.118 178.079 176.000 -0.066 0.000 0.950 241 Q CA 0.601 56.416 55.803 0.019 0.000 0.863 241 Q CB 0.112 28.921 28.738 0.118 0.000 0.944 241 Q HN 0.260 nan 8.270 nan 0.000 0.465 242 L N -0.101 121.085 121.223 -0.062 0.000 2.027 242 L HA -0.169 -8.205 4.340 -20.628 0.000 0.206 242 L C 2.371 179.178 176.870 -0.104 0.000 1.074 242 L CA 1.255 56.055 54.840 -0.066 0.000 0.745 242 L CB -0.663 41.369 42.059 -0.046 0.000 0.898 242 L HN 0.203 nan 8.230 nan 0.000 0.433 243 T N 0.088 114.576 114.554 -0.109 0.000 2.684 243 T HA -0.223 -8.250 4.350 -20.628 0.000 0.267 243 T C 1.895 176.481 174.700 -0.190 0.000 1.036 243 T CA 1.503 63.532 62.100 -0.117 0.000 1.148 243 T CB -0.302 68.510 68.868 -0.093 0.000 0.863 243 T HN 0.452 nan 8.240 nan 0.000 0.436 244 A N 1.245 123.873 122.820 -0.320 0.000 2.121 244 A HA 0.006 -8.051 4.320 -20.628 0.000 0.218 244 A C 1.973 179.211 177.584 -0.576 0.000 1.154 244 A CA 1.089 52.797 52.037 -0.549 0.000 0.679 244 A CB -0.435 17.972 19.000 -0.987 0.000 0.795 244 A HN 0.392 nan 8.150 nan 0.000 0.458 245 N N -1.057 117.415 118.700 -0.380 0.000 2.268 245 N HA 0.242 -7.395 4.740 -20.628 0.000 0.204 245 N C 0.839 176.291 175.510 -0.097 0.000 1.124 245 N CA 0.930 53.866 53.050 -0.189 0.000 0.838 245 N CB 0.286 38.727 38.487 -0.077 0.000 0.994 245 N HN 0.486 nan 8.380 nan 0.000 0.489 246 G N 0.042 108.778 108.800 -0.107 0.000 2.159 246 G HA2 -0.213 -8.630 3.960 -20.628 0.000 0.227 246 G HA3 -0.213 -8.630 3.960 -20.628 0.000 0.227 246 G C -0.100 174.777 174.900 -0.039 0.000 0.986 246 G CA -0.172 44.892 45.100 -0.061 0.000 0.651 246 G HN 0.265 nan 8.290 nan 0.000 0.523 247 I N 1.069 121.613 120.570 -0.043 0.000 2.342 247 I HA 0.419 -7.788 4.170 -20.628 0.000 0.291 247 I C 0.386 176.486 176.117 -0.028 0.000 1.010 247 I CA -0.785 60.502 61.300 -0.020 0.000 1.308 247 I CB 1.495 39.491 38.000 -0.007 0.000 1.400 247 I HN 0.101 nan 8.210 nan 0.000 0.488 248 E N 7.225 127.414 120.200 -0.018 0.000 2.194 248 E HA 0.386 -7.641 4.350 -20.628 0.000 0.284 248 E C -1.011 175.579 176.600 -0.018 0.000 1.035 248 E CA -0.101 56.284 56.400 -0.025 0.000 0.836 248 E CB 0.672 30.357 29.700 -0.026 0.000 1.070 248 E HN 0.389 nan 8.360 nan 0.000 0.401 249 I N 5.746 126.301 120.570 -0.024 0.000 2.328 249 I HA 0.242 -7.965 4.170 -20.628 0.000 0.287 249 I C -0.123 175.981 176.117 -0.023 0.000 1.012 249 I CA -0.369 60.925 61.300 -0.011 0.000 1.195 249 I CB 0.937 38.931 38.000 -0.009 0.000 1.350 249 I HN 0.423 nan 8.210 nan 0.000 0.464 250 M N 6.568 126.150 119.600 -0.030 0.000 2.069 250 M HA 0.261 -7.636 4.480 -20.628 0.000 0.349 250 M C 0.113 176.399 176.300 -0.024 0.000 1.194 250 M CA -0.400 54.852 55.300 -0.081 0.000 1.081 250 M CB 0.843 33.326 32.600 -0.196 0.000 1.500 250 M HN 0.550 nan 8.290 nan 0.000 0.438 251 T N -0.744 113.803 114.554 -0.012 0.000 2.934 251 T HA 0.428 -7.599 4.350 -20.628 0.000 0.283 251 T C 0.403 175.076 174.700 -0.045 0.000 1.005 251 T CA -0.769 61.350 62.100 0.032 0.000 1.041 251 T CB 0.834 69.749 68.868 0.077 0.000 1.042 251 T HN 0.841 nan 8.240 nan 0.000 0.505 252 N N 0.372 119.024 118.700 -0.079 0.000 2.725 252 N HA -0.143 -7.780 4.740 -20.628 0.000 0.249 252 N C -0.925 174.526 175.510 -0.097 0.000 1.103 252 N CA 0.728 53.715 53.050 -0.105 0.000 0.707 252 N CB -0.662 37.783 38.487 -0.070 0.000 1.043 252 N HN 0.660 nan 8.380 nan 0.000 0.553 253 E N 0.287 120.430 120.200 -0.095 0.000 2.317 253 E HA 0.564 -7.462 4.350 -20.628 0.000 0.270 253 E C -0.834 175.819 176.600 0.088 0.000 0.885 253 E CA -0.697 55.665 56.400 -0.062 0.000 0.760 253 E CB 2.086 31.615 29.700 -0.285 0.000 1.227 253 E HN 0.248 nan 8.360 nan 0.000 0.434 254 N N 1.501 120.361 118.700 0.267 0.000 2.493 254 N HA 0.312 -7.325 4.740 -20.628 0.000 0.279 254 N C -3.058 172.585 175.510 0.222 0.000 1.082 254 N CA -1.457 51.729 53.050 0.226 0.000 0.963 254 N CB 1.955 40.484 38.487 0.070 0.000 1.627 254 N HN -0.003 nan 8.380 nan 0.000 0.499 255 P HA 0.128 nan 4.420 nan 0.000 0.264 255 P C -0.441 176.776 177.300 -0.139 0.000 1.193 255 P CA 0.084 63.004 63.100 -0.301 0.000 0.763 255 P CB 0.935 32.451 31.700 -0.306 0.000 0.810 256 A N 3.871 126.603 122.820 -0.147 0.000 2.063 256 A HA 0.128 -7.929 4.320 -20.628 0.000 0.211 256 A C 0.701 178.240 177.584 -0.075 0.000 1.177 256 A CA 1.115 53.110 52.037 -0.070 0.000 0.759 256 A CB -0.085 18.896 19.000 -0.032 0.000 0.857 256 A HN 0.502 nan 8.150 nan 0.000 0.468 257 K N -0.665 119.666 120.400 -0.116 0.000 2.569 257 K HA 0.511 -7.545 4.320 -20.628 0.000 0.259 257 K C -2.252 174.292 176.600 -0.094 0.000 0.932 257 K CA -0.392 55.852 56.287 -0.071 0.000 0.833 257 K CB 2.064 34.544 32.500 -0.033 0.000 1.340 257 K HN -0.035 nan 8.250 nan 0.000 0.429 258 V N 2.454 122.351 119.914 -0.029 0.000 2.656 258 V HA 0.598 -7.659 4.120 -20.628 0.000 0.307 258 V C -0.566 175.594 176.094 0.109 0.000 1.051 258 V CA -0.609 61.695 62.300 0.006 0.000 0.893 258 V CB 1.679 33.512 31.823 0.016 0.000 0.999 258 V HN 0.931 nan 8.190 nan 0.000 0.426 259 S N 4.193 119.944 115.700 0.085 0.000 2.661 259 S HA 0.832 -7.075 4.470 -20.628 0.000 0.285 259 S C -1.361 173.181 174.600 -0.097 0.000 1.138 259 S CA -0.822 57.408 58.200 0.050 0.000 0.855 259 S CB 1.876 65.110 63.200 0.056 0.000 1.136 259 S HN 0.363 nan 8.310 nan 0.000 0.484 260 L N 2.821 123.910 121.223 -0.224 0.000 2.292 260 L HA 0.509 -7.527 4.340 -20.628 0.000 0.284 260 L C 0.189 176.987 176.870 -0.120 0.000 1.065 260 L CA -0.195 54.497 54.840 -0.246 0.000 0.806 260 L CB 0.668 42.525 42.059 -0.336 0.000 1.175 260 L HN 0.701 nan 8.230 nan 0.000 0.431 261 N N 0.412 119.059 118.700 -0.089 0.000 2.408 261 N HA 0.164 -7.472 4.740 -20.628 0.000 0.260 261 N C 1.195 176.665 175.510 -0.067 0.000 1.242 261 N CA 0.467 53.474 53.050 -0.070 0.000 0.959 261 N CB 0.890 39.351 38.487 -0.043 0.000 1.201 261 N HN 0.723 nan 8.380 nan 0.000 0.511 262 T N -2.221 112.299 114.554 -0.056 0.000 2.788 262 T HA -0.194 -8.220 4.350 -20.628 0.000 0.268 262 T C 0.944 175.620 174.700 -0.039 0.000 1.044 262 T CA 1.366 63.439 62.100 -0.045 0.000 1.139 262 T CB -0.268 68.578 68.868 -0.037 0.000 0.867 262 T HN 0.616 nan 8.240 nan 0.000 0.454 263 D N 1.239 121.617 120.400 -0.037 0.000 2.363 263 D HA 0.189 -7.548 4.640 -20.628 0.000 0.226 263 D C 1.682 177.960 176.300 -0.037 0.000 1.020 263 D CA 0.782 54.763 54.000 -0.031 0.000 0.892 263 D CB -0.763 40.022 40.800 -0.026 0.000 0.900 263 D HN 0.704 nan 8.370 nan 0.000 0.531 264 G N -0.010 108.760 108.800 -0.050 0.000 2.213 264 G HA2 -0.268 -8.685 3.960 -20.628 0.000 0.226 264 G HA3 -0.268 -8.685 3.960 -20.628 0.000 0.226 264 G C 0.430 175.285 174.900 -0.074 0.000 0.992 264 G CA 0.318 45.382 45.100 -0.061 0.000 0.632 264 G HN 0.797 nan 8.290 nan 0.000 0.511 265 S N -0.209 115.453 115.700 -0.062 0.000 2.614 265 S HA 0.700 -7.207 4.470 -20.628 0.000 0.265 265 S C 0.014 174.573 174.600 -0.069 0.000 1.303 265 S CA 0.025 58.189 58.200 -0.061 0.000 1.000 265 S CB 1.673 64.847 63.200 -0.043 0.000 0.935 265 S HN 0.371 nan 8.310 nan 0.000 0.551 266 K N 0.711 121.073 120.400 -0.063 0.000 2.156 266 K HA 0.379 -7.678 4.320 -20.628 0.000 0.271 266 K C -0.823 175.775 176.600 -0.003 0.000 0.995 266 K CA -0.353 55.899 56.287 -0.059 0.000 0.890 266 K CB 0.852 33.311 32.500 -0.068 0.000 1.073 266 K HN 0.762 nan 8.250 nan 0.000 0.454 267 H N 1.538 120.556 119.070 -0.087 0.000 2.638 267 H HA 0.380 -7.440 4.556 -20.627 0.000 0.303 267 H C -1.171 174.106 175.328 -0.086 0.000 1.034 267 H CA -0.696 55.311 56.048 -0.068 0.000 1.225 267 H CB 0.515 30.244 29.762 -0.056 0.000 1.394 267 H HN 0.247 nan 8.280 nan 0.000 0.477 268 V N 5.768 125.427 119.914 -0.425 0.000 2.432 268 V HA 0.244 -8.012 4.120 -20.628 0.000 0.275 268 V C 0.243 175.992 176.094 -0.575 0.000 1.043 268 V CA -0.391 61.632 62.300 -0.462 0.000 0.925 268 V CB 1.379 32.902 31.823 -0.500 0.000 0.985 268 V HN 0.875 nan 8.190 nan 0.000 0.466 269 T N 5.946 120.245 114.554 -0.424 0.000 2.794 269 T HA 0.624 -7.403 4.350 -20.628 0.000 0.280 269 T C -0.433 174.070 174.700 -0.328 0.000 0.987 269 T CA -0.075 61.873 62.100 -0.254 0.000 0.993 269 T CB 0.670 69.499 68.868 -0.065 0.000 0.939 269 T HN 0.274 nan 8.240 nan 0.000 0.449 270 F N 0.932 120.847 119.950 -0.059 0.000 2.408 270 F HA 0.333 -7.517 4.527 -20.627 0.000 0.325 270 F C 1.930 177.713 175.800 -0.028 0.000 1.082 270 F CA -0.822 57.153 58.000 -0.042 0.000 1.032 270 F CB 0.772 39.746 39.000 -0.044 0.000 1.259 270 F HN 0.644 nan 8.300 nan 0.000 0.503 271 E N 0.097 120.399 120.200 0.169 0.000 2.160 271 E HA -0.195 -8.222 4.350 -20.628 0.000 0.195 271 E C 1.953 178.599 176.600 0.076 0.000 0.991 271 E CA 1.694 58.146 56.400 0.086 0.000 0.810 271 E CB -0.108 29.629 29.700 0.060 0.000 0.742 271 E HN 0.610 nan 8.360 nan 0.000 0.466 272 S N -1.328 114.429 115.700 0.094 0.000 2.527 272 S HA 0.126 -7.781 4.470 -20.628 0.000 0.222 272 S C 1.607 176.237 174.600 0.051 0.000 0.985 272 S CA 0.534 58.762 58.200 0.047 0.000 0.921 272 S CB 0.669 63.874 63.200 0.008 0.000 0.772 272 S HN 0.393 nan 8.310 nan 0.000 0.529 273 G N 0.685 109.537 108.800 0.087 0.000 2.218 273 G HA2 -0.202 -8.619 3.960 -20.628 0.000 0.216 273 G HA3 -0.202 -8.619 3.960 -20.628 0.000 0.216 273 G C 0.021 174.978 174.900 0.095 0.000 0.994 273 G CA -0.161 44.984 45.100 0.076 0.000 0.637 273 G HN 0.558 nan 8.290 nan 0.000 0.505 274 K N 1.293 121.759 120.400 0.111 0.000 2.276 274 K HA 0.519 -7.538 4.320 -20.628 0.000 0.259 274 K C 0.672 177.424 176.600 0.252 0.000 1.001 274 K CA 0.874 57.226 56.287 0.109 0.000 0.927 274 K CB 0.566 33.040 32.500 -0.042 0.000 0.969 274 K HN 0.432 nan 8.250 nan 0.000 0.490 275 T N -1.051 113.605 114.554 0.169 0.000 2.906 275 T HA 0.686 -7.341 4.350 -20.628 0.000 0.295 275 T C -1.299 173.456 174.700 0.091 0.000 1.075 275 T CA -1.021 61.125 62.100 0.076 0.000 1.005 275 T CB 1.293 70.166 68.868 0.009 0.000 1.136 275 T HN 0.305 nan 8.240 nan 0.000 0.498 276 L N 1.084 122.286 121.223 -0.035 0.000 2.565 276 L HA 0.510 -7.526 4.340 -20.628 0.000 0.261 276 L C -1.941 174.883 176.870 -0.077 0.000 0.932 276 L CA -0.364 54.488 54.840 0.020 0.000 0.878 276 L CB 2.285 44.449 42.059 0.175 0.000 1.333 276 L HN 0.812 nan 8.230 nan 0.000 0.409 277 D N 4.397 124.791 120.400 -0.010 0.000 2.233 277 D HA 0.653 -7.083 4.640 -20.628 0.000 0.240 277 D C -0.477 175.811 176.300 -0.020 0.000 1.074 277 D CA 0.134 54.136 54.000 0.004 0.000 0.838 277 D CB 2.247 43.082 40.800 0.059 0.000 1.124 277 D HN 0.429 nan 8.370 nan 0.000 0.475 278 V N -0.777 119.111 119.914 -0.043 0.000 3.160 278 V HA 0.415 -7.841 4.120 -20.628 0.000 0.310 278 V C 0.245 176.289 176.094 -0.082 0.000 1.181 278 V CA -0.785 61.475 62.300 -0.067 0.000 1.047 278 V CB 2.577 34.351 31.823 -0.082 0.000 1.068 278 V HN 0.292 nan 8.190 nan 0.000 0.441 279 D N 0.213 120.547 120.400 -0.111 0.000 2.271 279 D HA 0.183 -7.553 4.640 -20.628 0.000 0.206 279 D C 0.200 176.417 176.300 -0.139 0.000 0.967 279 D CA 1.276 55.205 54.000 -0.117 0.000 0.867 279 D CB 1.371 42.094 40.800 -0.128 0.000 0.960 279 D HN 0.365 nan 8.370 nan 0.000 0.509 280 V N 1.372 121.176 119.914 -0.184 0.000 2.686 280 V HA 0.241 -8.016 4.120 -20.628 0.000 0.306 280 V C -0.440 175.546 176.094 -0.181 0.000 1.065 280 V CA -0.799 61.381 62.300 -0.199 0.000 0.894 280 V CB 2.985 34.619 31.823 -0.315 0.000 1.004 280 V HN -0.256 nan 8.190 nan 0.000 0.424 281 V N 5.445 125.283 119.914 -0.127 0.000 2.357 281 V HA 0.490 -7.766 4.120 -20.628 0.000 0.284 281 V C -0.085 175.950 176.094 -0.100 0.000 1.018 281 V CA -0.321 61.916 62.300 -0.104 0.000 0.841 281 V CB 1.558 33.333 31.823 -0.080 0.000 0.991 281 V HN 0.874 nan 8.190 nan 0.000 0.437 282 M N 6.185 125.727 119.600 -0.097 0.000 2.072 282 M HA 0.506 -7.391 4.480 -20.628 0.000 0.331 282 M C -0.820 175.431 176.300 -0.081 0.000 1.004 282 M CA -0.571 54.668 55.300 -0.101 0.000 0.952 282 M CB 1.206 33.747 32.600 -0.099 0.000 1.511 282 M HN 0.475 nan 8.290 nan 0.000 0.422 283 M N 3.914 123.460 119.600 -0.090 0.000 2.184 283 M HA 0.272 -7.625 4.480 -20.628 0.000 0.351 283 M C 0.032 176.278 176.300 -0.091 0.000 1.395 283 M CA 0.115 55.373 55.300 -0.070 0.000 1.117 283 M CB 0.479 33.041 32.600 -0.063 0.000 1.708 283 M HN 0.759 nan 8.290 nan 0.000 0.468 284 A N 4.966 127.750 122.820 -0.060 0.000 3.253 284 A HA 0.442 -7.614 4.320 -20.628 0.000 0.290 284 A C 0.690 178.257 177.584 -0.029 0.000 0.950 284 A CA -0.483 51.510 52.037 -0.074 0.000 0.986 284 A CB -0.420 18.527 19.000 -0.088 0.000 1.104 284 A HN 0.941 nan 8.150 nan 0.000 0.481 285 I N -3.481 117.084 120.570 -0.009 0.000 3.883 285 I HA 0.621 -7.586 4.170 -20.628 0.000 0.326 285 I C 0.623 176.761 176.117 0.036 0.000 1.283 285 I CA 0.253 61.571 61.300 0.031 0.000 1.161 285 I CB 0.554 38.576 38.000 0.036 0.000 1.012 285 I HN 0.412 nan 8.210 nan 0.000 0.421 286 G N 1.073 109.882 108.800 0.015 0.000 2.339 286 G HA2 0.336 -8.081 3.960 -20.628 0.000 0.302 286 G HA3 0.336 -8.081 3.960 -20.628 0.000 0.302 286 G C -1.628 173.291 174.900 0.032 0.000 1.425 286 G CA -1.131 43.991 45.100 0.037 0.000 0.899 286 G HN 0.158 nan 8.290 nan 0.000 0.619 287 R N -0.308 120.231 120.500 0.065 0.000 2.561 287 R HA 0.660 -7.377 4.340 -20.628 0.000 0.297 287 R C -0.072 176.297 176.300 0.114 0.000 0.969 287 R CA -0.846 55.306 56.100 0.085 0.000 0.879 287 R CB 2.077 32.435 30.300 0.097 0.000 1.178 287 R HN 0.717 nan 8.270 nan 0.000 0.445 288 I N -0.598 120.058 120.570 0.143 0.000 2.530 288 I HA 0.592 -7.614 4.170 -20.628 0.000 0.297 288 I C -2.538 173.677 176.117 0.163 0.000 1.011 288 I CA -3.219 58.164 61.300 0.139 0.000 1.107 288 I CB 1.930 40.007 38.000 0.129 0.000 1.285 288 I HN 0.245 nan 8.210 nan 0.000 0.436 289 P HA 0.043 nan 4.420 nan 0.000 0.265 289 P C -0.831 176.542 177.300 0.123 0.000 1.187 289 P CA -0.048 63.125 63.100 0.121 0.000 0.766 289 P CB 0.398 32.151 31.700 0.089 0.000 0.820 290 R N 1.999 122.574 120.500 0.124 0.000 2.870 290 R HA 0.168 -7.868 4.340 -20.628 0.000 0.254 290 R C 0.776 177.112 176.300 0.059 0.000 1.392 290 R CA 0.142 56.300 56.100 0.096 0.000 1.322 290 R CB -0.497 29.866 30.300 0.105 0.000 1.205 290 R HN 0.546 nan 8.270 nan 0.000 0.597 291 T N -1.992 112.591 114.554 0.048 0.000 2.971 291 T HA 0.042 -7.985 4.350 -20.628 0.000 0.252 291 T C 1.369 176.080 174.700 0.019 0.000 1.022 291 T CA -0.135 61.986 62.100 0.035 0.000 0.980 291 T CB 0.111 69.000 68.868 0.036 0.000 1.044 291 T HN 0.291 nan 8.240 nan 0.000 0.501 292 N N 1.799 120.505 118.700 0.009 0.000 2.381 292 N HA -0.083 -7.719 4.740 -20.628 0.000 0.182 292 N C 0.489 175.984 175.510 -0.024 0.000 1.025 292 N CA 1.148 54.192 53.050 -0.011 0.000 0.888 292 N CB -0.010 38.462 38.487 -0.024 0.000 0.965 292 N HN 0.447 nan 8.380 nan 0.000 0.438 293 D N -0.022 120.373 120.400 -0.008 0.000 2.360 293 D HA 0.093 -7.643 4.640 -20.628 0.000 0.210 293 D C 1.593 177.905 176.300 0.020 0.000 1.047 293 D CA -0.005 53.991 54.000 -0.006 0.000 0.854 293 D CB 0.428 41.260 40.800 0.053 0.000 0.936 293 D HN 0.267 nan 8.370 nan 0.000 0.514 294 L N 0.399 121.634 121.223 0.019 0.000 2.554 294 L HA 0.013 -8.024 4.340 -20.628 0.000 0.226 294 L C 0.215 177.086 176.870 0.002 0.000 1.137 294 L CA 0.187 55.038 54.840 0.018 0.000 0.863 294 L CB -0.104 41.967 42.059 0.019 0.000 0.985 294 L HN -0.162 nan 8.230 nan 0.000 0.451 295 Q N -0.051 119.745 119.800 -0.007 0.000 2.451 295 Q HA -0.222 -8.258 4.340 -20.628 0.000 0.305 295 Q C 1.038 177.032 176.000 -0.011 0.000 1.345 295 Q CA 0.614 56.409 55.803 -0.013 0.000 0.854 295 Q CB -2.148 26.579 28.738 -0.018 0.000 1.162 295 Q HN 0.531 nan 8.270 nan 0.000 0.440 296 L N -1.534 119.685 121.223 -0.007 0.000 2.265 296 L HA -0.121 -8.157 4.340 -20.628 0.000 0.215 296 L C 2.255 179.119 176.870 -0.010 0.000 1.117 296 L CA 1.417 56.253 54.840 -0.007 0.000 0.782 296 L CB -0.365 41.694 42.059 -0.001 0.000 0.914 296 L HN 0.507 nan 8.230 nan 0.000 0.441 297 G N -0.011 108.783 108.800 -0.011 0.000 2.448 297 G HA2 -0.258 -8.675 3.960 -20.628 0.000 0.219 297 G HA3 -0.258 -8.675 3.960 -20.628 0.000 0.219 297 G C 1.320 176.211 174.900 -0.014 0.000 1.127 297 G CA 0.516 45.609 45.100 -0.012 0.000 0.766 297 G HN 0.348 nan 8.290 nan 0.000 0.552 298 N N 0.068 118.758 118.700 -0.016 0.000 2.205 298 N HA -0.087 -7.723 4.740 -20.628 0.000 0.186 298 N C 1.884 177.383 175.510 -0.019 0.000 1.015 298 N CA 1.180 54.219 53.050 -0.018 0.000 0.862 298 N CB -0.028 38.448 38.487 -0.018 0.000 0.986 298 N HN 0.293 nan 8.380 nan 0.000 0.429 299 V N -2.082 117.821 119.914 -0.020 0.000 3.612 299 V HA 0.334 -7.923 4.120 -20.628 0.000 0.268 299 V C 1.109 177.189 176.094 -0.023 0.000 1.365 299 V CA 0.505 62.790 62.300 -0.024 0.000 1.044 299 V CB 0.357 32.164 31.823 -0.028 0.000 0.820 299 V HN 0.302 nan 8.190 nan 0.000 0.444 300 G N 1.446 110.235 108.800 -0.019 0.000 2.182 300 G HA2 -0.210 -8.627 3.960 -20.628 0.000 0.248 300 G HA3 -0.210 -8.627 3.960 -20.628 0.000 0.248 300 G C 0.108 174.997 174.900 -0.017 0.000 1.042 300 G CA 0.179 45.269 45.100 -0.016 0.000 0.775 300 G HN 0.400 nan 8.290 nan 0.000 0.501 301 V N 0.889 120.793 119.914 -0.017 0.000 2.485 301 V HA 0.166 -8.090 4.120 -20.628 0.000 0.287 301 V C 1.185 177.275 176.094 -0.007 0.000 1.022 301 V CA 0.347 62.637 62.300 -0.016 0.000 1.067 301 V CB 0.860 32.674 31.823 -0.016 0.000 0.967 301 V HN 0.396 nan 8.190 nan 0.000 0.479 302 K N 4.325 124.722 120.400 -0.005 0.000 2.237 302 K HA 0.437 -7.620 4.320 -20.628 0.000 0.270 302 K C -0.718 175.886 176.600 0.007 0.000 1.015 302 K CA -0.640 55.647 56.287 0.000 0.000 0.949 302 K CB 0.847 33.347 32.500 0.000 0.000 0.976 302 K HN 0.285 nan 8.250 nan 0.000 0.472 303 L N 1.150 122.379 121.223 0.009 0.000 2.332 303 L HA 0.295 -7.742 4.340 -20.628 0.000 0.269 303 L C 0.617 177.496 176.870 0.014 0.000 1.016 303 L CA -0.273 54.575 54.840 0.014 0.000 0.809 303 L CB 1.547 43.616 42.059 0.016 0.000 1.280 303 L HN 0.788 nan 8.230 nan 0.000 0.447 304 T N -1.754 112.810 114.554 0.017 0.000 2.828 304 T HA 0.308 -7.719 4.350 -20.628 0.000 0.290 304 T C -1.831 172.879 174.700 0.016 0.000 1.019 304 T CA -1.302 60.807 62.100 0.015 0.000 1.031 304 T CB 0.563 69.441 68.868 0.016 0.000 1.001 304 T HN 0.445 nan 8.240 nan 0.000 0.531 305 P HA -0.085 nan 4.420 nan 0.000 0.216 305 P C 1.244 178.556 177.300 0.019 0.000 1.154 305 P CA 1.161 64.270 63.100 0.015 0.000 0.865 305 P CB 0.091 31.799 31.700 0.013 0.000 0.789 306 K N -2.041 118.373 120.400 0.023 0.000 2.404 306 K HA 0.237 -7.820 4.320 -20.628 0.000 0.194 306 K C 1.251 177.872 176.600 0.036 0.000 1.023 306 K CA 0.805 57.110 56.287 0.030 0.000 1.094 306 K CB -0.065 32.454 32.500 0.031 0.000 0.841 306 K HN 0.264 nan 8.250 nan 0.000 0.523 307 G N 0.593 109.413 108.800 0.033 0.000 2.184 307 G HA2 -0.200 -8.616 3.960 -20.628 0.000 0.206 307 G HA3 -0.200 -8.616 3.960 -20.628 0.000 0.206 307 G C 0.491 175.415 174.900 0.041 0.000 0.995 307 G CA -0.199 44.923 45.100 0.037 0.000 0.651 307 G HN 0.477 nan 8.290 nan 0.000 0.511 308 G N -0.338 108.486 108.800 0.040 0.000 2.569 308 G HA2 0.557 -7.860 3.960 -20.628 0.000 0.249 308 G HA3 0.557 -7.860 3.960 -20.628 0.000 0.249 308 G C 0.444 175.366 174.900 0.035 0.000 1.216 308 G CA 0.221 45.346 45.100 0.042 0.000 0.845 308 G HN 0.938 nan 8.290 nan 0.000 0.568 309 V N 1.494 121.432 119.914 0.039 0.000 2.529 309 V HA 0.025 -8.232 4.120 -20.628 0.000 0.292 309 V C 0.840 176.953 176.094 0.031 0.000 1.028 309 V CA 0.106 62.427 62.300 0.034 0.000 1.074 309 V CB 0.974 32.822 31.823 0.041 0.000 0.958 309 V HN 0.827 nan 8.190 nan 0.000 0.481 310 Q N 4.564 124.378 119.800 0.023 0.000 2.286 310 Q HA 0.438 -7.598 4.340 -20.628 0.000 0.267 310 Q C -0.578 175.439 176.000 0.028 0.000 1.028 310 Q CA -0.280 55.536 55.803 0.021 0.000 0.901 310 Q CB 1.111 29.858 28.738 0.015 0.000 1.183 310 Q HN 0.779 nan 8.270 nan 0.000 0.392 311 V N 0.975 120.908 119.914 0.033 0.000 3.102 311 V HA 0.589 -7.668 4.120 -20.628 0.000 0.312 311 V C -0.617 175.506 176.094 0.049 0.000 1.135 311 V CA -1.051 61.281 62.300 0.053 0.000 1.022 311 V CB 1.871 33.738 31.823 0.072 0.000 1.056 311 V HN 0.924 nan 8.190 nan 0.000 0.436 312 D N 0.294 120.743 120.400 0.082 0.000 2.511 312 D HA 0.256 -7.481 4.640 -20.628 0.000 0.276 312 D C 0.726 177.066 176.300 0.068 0.000 1.220 312 D CA -0.283 53.769 54.000 0.087 0.000 1.077 312 D CB 0.619 41.503 40.800 0.140 0.000 1.126 312 D HN 0.676 nan 8.370 nan 0.000 0.583 313 E N -1.382 118.828 120.200 0.018 0.000 2.333 313 E HA -0.088 -8.115 4.350 -20.628 0.000 0.198 313 E C 0.729 177.157 176.600 -0.287 0.000 1.007 313 E CA 0.762 57.066 56.400 -0.160 0.000 0.845 313 E CB -0.300 29.219 29.700 -0.302 0.000 0.766 313 E HN 0.398 nan 8.360 nan 0.000 0.507 314 F N -0.357 119.635 119.950 0.071 0.000 2.641 314 F HA 0.178 -7.672 4.527 -20.627 0.000 0.302 314 F C 0.675 176.527 175.800 0.086 0.000 1.098 314 F CA -0.152 57.886 58.000 0.064 0.000 1.318 314 F CB 0.581 39.608 39.000 0.046 0.000 1.035 314 F HN -0.237 nan 8.300 nan 0.000 0.551 315 S N -0.197 115.627 115.700 0.208 0.000 3.361 315 S HA -0.220 -8.127 4.470 -20.628 0.000 0.288 315 S C 0.365 175.134 174.600 0.281 0.000 1.269 315 S CA 0.219 58.539 58.200 0.201 0.000 0.976 315 S CB -1.508 61.797 63.200 0.175 0.000 1.162 315 S HN 0.455 nan 8.310 nan 0.000 0.643 316 R N 2.216 122.880 120.500 0.275 0.000 2.308 316 R HA 0.437 -7.600 4.340 -20.628 0.000 0.305 316 R C 1.076 177.430 176.300 0.091 0.000 1.053 316 R CA 0.312 56.546 56.100 0.223 0.000 0.957 316 R CB 0.590 31.009 30.300 0.199 0.000 1.022 316 R HN 0.500 nan 8.270 nan 0.000 0.461 317 T N -1.216 113.339 114.554 0.002 0.000 2.814 317 T HA 0.009 -8.018 4.350 -20.628 0.000 0.284 317 T C 1.325 176.005 174.700 -0.033 0.000 0.998 317 T CA -0.746 61.344 62.100 -0.017 0.000 0.935 317 T CB 0.588 69.430 68.868 -0.044 0.000 1.167 317 T HN 0.686 nan 8.240 nan 0.000 0.545 318 N N -0.380 118.303 118.700 -0.027 0.000 2.550 318 N HA -0.039 -7.676 4.740 -20.628 0.000 0.186 318 N C -0.039 175.442 175.510 -0.049 0.000 1.110 318 N CA 0.121 53.154 53.050 -0.028 0.000 0.912 318 N CB -0.413 38.064 38.487 -0.017 0.000 0.968 318 N HN 0.389 nan 8.380 nan 0.000 0.448 319 V N 2.066 121.934 119.914 -0.077 0.000 2.370 319 V HA 0.221 -8.035 4.120 -20.628 0.000 0.283 319 V C -1.417 174.581 176.094 -0.159 0.000 1.023 319 V CA -1.459 60.782 62.300 -0.098 0.000 0.857 319 V CB 1.800 33.568 31.823 -0.091 0.000 0.985 319 V HN -0.090 nan 8.190 nan 0.000 0.443 320 P HA -0.103 nan 4.420 nan 0.000 0.215 320 P C 0.630 177.788 177.300 -0.237 0.000 1.157 320 P CA 1.372 64.390 63.100 -0.136 0.000 0.874 320 P CB 0.154 31.808 31.700 -0.077 0.000 0.790 321 N N -1.287 117.270 118.700 -0.240 0.000 2.279 321 N HA 0.201 -7.435 4.740 -20.628 0.000 0.226 321 N C -0.256 175.004 175.510 -0.418 0.000 1.126 321 N CA 0.096 52.998 53.050 -0.247 0.000 0.846 321 N CB -0.145 38.251 38.487 -0.151 0.000 1.050 321 N HN 0.168 nan 8.380 nan 0.000 0.502 322 I N 0.757 120.955 120.570 -0.621 0.000 2.436 322 I HA 0.336 -7.870 4.170 -20.628 0.000 0.289 322 I C -0.964 174.781 176.117 -0.620 0.000 1.010 322 I CA -0.878 60.154 61.300 -0.447 0.000 1.098 322 I CB 0.950 38.837 38.000 -0.188 0.000 1.266 322 I HN -0.037 nan 8.210 nan 0.000 0.434 323 Y N 4.115 124.449 120.300 0.056 0.000 2.598 323 Y HA 0.837 -6.990 4.550 -20.628 0.000 0.340 323 Y C 0.064 175.998 175.900 0.056 0.000 1.038 323 Y CA -1.173 56.961 58.100 0.056 0.000 1.100 323 Y CB 1.897 40.392 38.460 0.057 0.000 1.281 323 Y HN 0.533 nan 8.280 nan 0.000 0.488 324 A N 2.316 125.265 122.820 0.216 0.000 2.398 324 A HA 0.850 -7.207 4.320 -20.628 0.000 0.301 324 A C -1.116 176.550 177.584 0.137 0.000 1.041 324 A CA -0.606 51.517 52.037 0.144 0.000 0.711 324 A CB 0.800 19.859 19.000 0.098 0.000 1.240 324 A HN 0.795 nan 8.150 nan 0.000 0.420 325 I N -0.717 119.925 120.570 0.120 0.000 3.145 325 I HA 0.957 -7.250 4.170 -20.628 0.000 0.313 325 I C 0.538 176.716 176.117 0.101 0.000 1.122 325 I CA -0.314 61.053 61.300 0.111 0.000 0.987 325 I CB 1.986 40.049 38.000 0.105 0.000 1.236 325 I HN 1.844 nan 8.210 nan 0.000 0.453 326 G N 2.617 111.479 108.800 0.104 0.000 2.598 326 G HA2 -0.251 -8.668 3.960 -20.628 0.000 0.244 326 G HA3 -0.251 -8.668 3.960 -20.628 0.000 0.244 326 G C 0.025 174.985 174.900 0.101 0.000 1.302 326 G CA 0.622 45.782 45.100 0.101 0.000 0.903 326 G HN 0.845 nan 8.290 nan 0.000 0.575 327 D N -0.238 120.226 120.400 0.107 0.000 2.221 327 D HA -0.056 -7.793 4.640 -20.628 0.000 0.204 327 D C 2.288 178.650 176.300 0.104 0.000 0.982 327 D CA 1.029 55.096 54.000 0.112 0.000 0.857 327 D CB -0.103 40.777 40.800 0.133 0.000 0.934 327 D HN 0.462 nan 8.370 nan 0.000 0.475 328 I N 0.901 121.530 120.570 0.098 0.000 2.700 328 I HA -0.225 -8.431 4.170 -20.628 0.000 0.261 328 I C 1.647 177.808 176.117 0.074 0.000 1.219 328 I CA 1.288 62.641 61.300 0.088 0.000 1.463 328 I CB 0.010 38.059 38.000 0.081 0.000 1.092 328 I HN 0.073 nan 8.210 nan 0.000 0.452 329 T N -3.530 111.067 114.554 0.071 0.000 3.081 329 T HA 0.008 -8.019 4.350 -20.628 0.000 0.250 329 T C 0.857 175.581 174.700 0.040 0.000 1.100 329 T CA 0.427 62.558 62.100 0.052 0.000 1.038 329 T CB -0.170 68.728 68.868 0.048 0.000 0.962 329 T HN 0.379 nan 8.240 nan 0.000 0.516 330 D N 0.537 120.970 120.400 0.056 0.000 2.699 330 D HA -0.164 -7.901 4.640 -20.628 0.000 0.239 330 D C 0.560 176.878 176.300 0.030 0.000 1.136 330 D CA 0.630 54.663 54.000 0.054 0.000 0.668 330 D CB -0.880 39.951 40.800 0.052 0.000 1.060 330 D HN 0.605 nan 8.370 nan 0.000 0.429 331 R N -0.723 119.791 120.500 0.024 0.000 2.091 331 R HA 0.431 -7.605 4.340 -20.628 0.000 0.121 331 R C -0.244 176.070 176.300 0.024 0.000 1.812 331 R CA -0.525 55.567 56.100 -0.013 0.000 1.565 331 R CB 0.047 30.289 30.300 -0.096 0.000 1.305 331 R HN 0.077 nan 8.270 nan 0.000 0.467 332 L N 2.660 123.913 121.223 0.050 0.000 2.268 332 L HA 0.331 -7.706 4.340 -20.628 0.000 0.289 332 L C -0.080 176.844 176.870 0.091 0.000 1.064 332 L CA 0.663 55.550 54.840 0.079 0.000 0.824 332 L CB 0.985 43.122 42.059 0.130 0.000 1.202 332 L HN 0.416 nan 8.230 nan 0.000 0.433 333 M N 5.976 125.632 119.600 0.092 0.000 3.436 333 M HA 0.268 -7.629 4.480 -20.628 0.000 0.240 333 M C -0.891 175.469 176.300 0.101 0.000 1.469 333 M CA 0.372 55.744 55.300 0.119 0.000 1.622 333 M CB -0.278 32.421 32.600 0.165 0.000 1.098 333 M HN 0.367 nan 8.290 nan 0.000 0.568 334 L N -0.644 120.625 121.223 0.077 0.000 2.388 334 L HA 0.423 -7.614 4.340 -20.628 0.000 0.264 334 L C 1.164 178.072 176.870 0.064 0.000 0.998 334 L CA -0.564 54.307 54.840 0.051 0.000 0.817 334 L CB 2.218 44.287 42.059 0.017 0.000 1.338 334 L HN 0.217 nan 8.230 nan 0.000 0.414 335 T N 1.006 115.597 114.554 0.062 0.000 2.674 335 T HA -0.054 -8.080 4.350 -20.628 0.000 0.265 335 T C -1.150 173.577 174.700 0.045 0.000 1.039 335 T CA 1.722 63.858 62.100 0.060 0.000 1.150 335 T CB -0.490 68.415 68.868 0.061 0.000 0.864 335 T HN 0.465 nan 8.240 nan 0.000 0.427 336 P HA 0.083 nan 4.420 nan 0.000 0.223 336 P C 1.403 178.710 177.300 0.012 0.000 1.151 336 P CA 0.365 63.477 63.100 0.021 0.000 0.787 336 P CB -0.091 31.617 31.700 0.015 0.000 0.788 337 V N 0.265 120.189 119.914 0.016 0.000 2.379 337 V HA -0.186 -8.442 4.120 -20.628 0.000 0.245 337 V C 2.465 178.578 176.094 0.031 0.000 1.044 337 V CA 2.113 64.417 62.300 0.007 0.000 1.036 337 V CB -1.596 30.249 31.823 0.037 0.000 0.664 337 V HN 0.093 nan 8.190 nan 0.000 0.453 338 A N 0.024 122.878 122.820 0.056 0.000 1.902 338 A HA -0.177 -8.234 4.320 -20.628 0.000 0.217 338 A C 2.180 179.797 177.584 0.056 0.000 1.181 338 A CA 1.882 53.959 52.037 0.067 0.000 0.623 338 A CB -0.528 18.516 19.000 0.075 0.000 0.818 338 A HN 0.499 nan 8.150 nan 0.000 0.443 339 I N -0.156 120.441 120.570 0.045 0.000 2.179 339 I HA -0.271 -8.478 4.170 -20.628 0.000 0.242 339 I C 2.550 178.690 176.117 0.039 0.000 1.088 339 I CA 1.516 62.843 61.300 0.044 0.000 1.357 339 I CB -0.467 37.554 38.000 0.036 0.000 1.051 339 I HN 0.467 nan 8.210 nan 0.000 0.409 340 N N 1.009 119.719 118.700 0.017 0.000 2.149 340 N HA -0.224 -7.860 4.740 -20.628 0.000 0.188 340 N C 1.741 177.253 175.510 0.003 0.000 1.019 340 N CA 1.590 54.640 53.050 -0.001 0.000 0.857 340 N CB 0.043 38.505 38.487 -0.041 0.000 0.997 340 N HN 0.440 nan 8.380 nan 0.000 0.426 341 E N -0.460 119.746 120.200 0.011 0.000 2.077 341 E HA -0.107 -8.134 4.350 -20.628 0.000 0.193 341 E C 1.967 178.597 176.600 0.049 0.000 0.989 341 E CA 1.031 57.451 56.400 0.034 0.000 0.800 341 E CB -0.309 29.433 29.700 0.071 0.000 0.746 341 E HN 0.450 nan 8.360 nan 0.000 0.452 342 G N 1.016 109.852 108.800 0.059 0.000 2.422 342 G HA2 -0.247 -8.663 3.960 -20.628 0.000 0.218 342 G HA3 -0.247 -8.663 3.960 -20.628 0.000 0.218 342 G C 1.652 176.597 174.900 0.074 0.000 1.146 342 G CA 0.855 45.997 45.100 0.070 0.000 0.769 342 G HN 0.342 nan 8.290 nan 0.000 0.547 343 A N 1.132 123.998 122.820 0.077 0.000 1.898 343 A HA 0.354 -7.703 4.320 -20.628 0.000 0.216 343 A C 2.814 180.447 177.584 0.081 0.000 1.181 343 A CA 2.086 54.180 52.037 0.095 0.000 0.620 343 A CB -0.778 18.275 19.000 0.088 0.000 0.819 343 A HN 0.730 nan 8.150 nan 0.000 0.442 344 A N -0.225 122.628 122.820 0.055 0.000 1.902 344 A HA -0.058 -8.115 4.320 -20.628 0.000 0.217 344 A C 2.158 179.765 177.584 0.039 0.000 1.181 344 A CA 1.515 53.584 52.037 0.053 0.000 0.623 344 A CB -0.604 18.419 19.000 0.038 0.000 0.818 344 A HN 0.500 nan 8.150 nan 0.000 0.443 345 L N 0.224 121.452 121.223 0.010 0.000 1.989 345 L HA -0.157 -8.193 4.340 -20.628 0.000 0.211 345 L C 2.458 179.236 176.870 -0.154 0.000 1.071 345 L CA 2.326 57.116 54.840 -0.084 0.000 0.749 345 L CB -0.834 41.168 42.059 -0.095 0.000 0.890 345 L HN 0.273 nan 8.230 nan 0.000 0.431 346 V N 0.331 120.217 119.914 -0.047 0.000 2.407 346 V HA -0.270 -8.526 4.120 -20.628 0.000 0.248 346 V C 2.312 178.345 176.094 -0.102 0.000 1.055 346 V CA 1.872 64.175 62.300 0.004 0.000 1.049 346 V CB -0.631 31.289 31.823 0.162 0.000 0.662 346 V HN 0.431 nan 8.190 nan 0.000 0.455 347 D N -0.098 120.300 120.400 -0.003 0.000 2.144 347 D HA -0.134 -7.871 4.640 -20.628 0.000 0.199 347 D C 2.289 178.528 176.300 -0.103 0.000 0.984 347 D CA 1.859 55.862 54.000 0.006 0.000 0.834 347 D CB -0.335 40.528 40.800 0.106 0.000 0.955 347 D HN 0.412 nan 8.370 nan 0.000 0.465 348 T N 0.150 114.637 114.554 -0.110 0.000 2.701 348 T HA -0.066 -8.093 4.350 -20.628 0.000 0.263 348 T C 2.233 176.768 174.700 -0.276 0.000 1.040 348 T CA 0.752 62.765 62.100 -0.146 0.000 1.147 348 T CB -0.287 68.523 68.868 -0.096 0.000 0.865 348 T HN -0.033 nan 8.240 nan 0.000 0.426 349 V N 0.134 119.782 119.914 -0.443 0.000 2.346 349 V HA 0.023 -8.234 4.120 -20.628 0.000 0.244 349 V C 1.887 177.503 176.094 -0.797 0.000 1.037 349 V CA 1.509 63.380 62.300 -0.715 0.000 1.029 349 V CB -0.468 30.676 31.823 -1.132 0.000 0.663 349 V HN 0.397 nan 8.190 nan 0.000 0.454 350 F N 0.275 119.933 119.950 -0.488 0.000 2.678 350 F HA 0.326 -7.523 4.527 -20.628 0.000 0.291 350 F C 2.188 177.604 175.800 -0.639 0.000 1.123 350 F CA 0.730 58.399 58.000 -0.552 0.000 1.395 350 F CB -0.622 37.987 39.000 -0.652 0.000 1.121 350 F HN 0.152 nan 8.300 nan 0.000 0.592 351 G N -0.636 107.828 108.800 -0.560 0.000 2.777 351 G HA2 -0.070 -8.486 3.960 -20.628 0.000 0.211 351 G HA3 -0.070 -8.486 3.960 -20.628 0.000 0.211 351 G C 0.373 175.237 174.900 -0.061 0.000 1.149 351 G CA 0.210 45.189 45.100 -0.202 0.000 0.785 351 G HN 0.388 nan 8.290 nan 0.000 0.536 352 N N -0.707 117.917 118.700 -0.127 0.000 2.693 352 N HA -0.154 -7.791 4.740 -20.628 0.000 0.249 352 N C -0.437 175.040 175.510 -0.054 0.000 1.119 352 N CA 0.925 53.921 53.050 -0.091 0.000 0.717 352 N CB -0.573 37.881 38.487 -0.056 0.000 1.071 352 N HN 0.365 nan 8.380 nan 0.000 0.555 353 K N 0.076 120.452 120.400 -0.040 0.000 2.572 353 K HA 0.297 -7.759 4.320 -20.628 0.000 0.244 353 K C -2.753 173.844 176.600 -0.005 0.000 0.965 353 K CA -1.678 54.603 56.287 -0.010 0.000 0.943 353 K CB 1.822 34.339 32.500 0.028 0.000 1.154 353 K HN -0.107 nan 8.250 nan 0.000 0.447 354 P HA -0.006 nan 4.420 nan 0.000 0.262 354 P C -0.789 176.618 177.300 0.179 0.000 1.182 354 P CA 0.322 63.412 63.100 -0.016 0.000 0.761 354 P CB 0.538 32.118 31.700 -0.199 0.000 0.795 355 R N 2.654 123.331 120.500 0.296 0.000 2.564 355 R HA 0.355 -7.682 4.340 -20.628 0.000 0.284 355 R C -0.212 176.231 176.300 0.238 0.000 1.031 355 R CA -0.955 55.293 56.100 0.247 0.000 0.904 355 R CB 2.476 32.850 30.300 0.122 0.000 1.199 355 R HN 0.480 nan 8.270 nan 0.000 0.443 356 K N 0.684 121.085 120.400 0.001 0.000 2.259 356 K HA 0.450 -7.607 4.320 -20.628 0.000 0.249 356 K C -0.646 175.858 176.600 -0.159 0.000 0.942 356 K CA -0.757 55.364 56.287 -0.277 0.000 0.816 356 K CB 1.939 33.957 32.500 -0.804 0.000 1.155 356 K HN 0.179 nan 8.250 nan 0.000 0.428 357 T N 1.963 116.422 114.554 -0.159 0.000 2.870 357 T HA -0.024 -8.051 4.350 -20.628 0.000 0.300 357 T C -0.528 174.001 174.700 -0.285 0.000 0.989 357 T CA 0.133 62.091 62.100 -0.236 0.000 1.139 357 T CB 0.486 69.149 68.868 -0.341 0.000 0.920 357 T HN 0.568 nan 8.240 nan 0.000 0.537 358 D N 1.255 121.517 120.400 -0.230 0.000 2.316 358 D HA 0.118 -7.619 4.640 -20.628 0.000 0.245 358 D C 0.431 176.600 176.300 -0.219 0.000 1.171 358 D CA -0.275 53.636 54.000 -0.148 0.000 0.856 358 D CB 0.557 41.312 40.800 -0.075 0.000 1.090 358 D HN 0.552 nan 8.370 nan 0.000 0.476 359 H N 0.980 120.030 119.070 -0.033 0.000 2.539 359 H HA 0.162 -7.659 4.556 -20.628 0.000 0.269 359 H C 0.467 175.783 175.328 -0.020 0.000 0.980 359 H CA 0.262 56.294 56.048 -0.025 0.000 1.152 359 H CB 0.351 30.097 29.762 -0.027 0.000 1.407 359 H HN 0.337 nan 8.280 nan 0.000 0.564 360 T N -1.702 112.890 114.554 0.062 0.000 2.934 360 T HA 0.333 -7.693 4.350 -20.628 0.000 0.283 360 T C 0.513 175.221 174.700 0.013 0.000 1.005 360 T CA -1.032 61.092 62.100 0.039 0.000 1.041 360 T CB 1.574 70.466 68.868 0.040 0.000 1.042 360 T HN 0.381 nan 8.240 nan 0.000 0.505 361 R N -0.762 119.744 120.500 0.010 0.000 3.641 361 R HA -0.101 -8.138 4.340 -20.628 0.000 0.286 361 R C -0.552 175.740 176.300 -0.012 0.000 1.153 361 R CA 0.331 56.430 56.100 -0.002 0.000 0.775 361 R CB -2.557 27.743 30.300 0.001 0.000 1.215 361 R HN 0.557 nan 8.270 nan 0.000 0.474 362 V N 1.214 121.120 119.914 -0.013 0.000 2.432 362 V HA 0.428 -7.829 4.120 -20.628 0.000 0.271 362 V C 1.119 177.200 176.094 -0.022 0.000 1.046 362 V CA 0.056 62.344 62.300 -0.020 0.000 0.945 362 V CB 1.399 33.211 31.823 -0.018 0.000 0.992 362 V HN 0.377 nan 8.190 nan 0.000 0.471 363 A N 5.109 127.918 122.820 -0.020 0.000 2.440 363 A HA 0.678 -7.378 4.320 -20.628 0.000 0.251 363 A C 0.496 178.067 177.584 -0.021 0.000 1.089 363 A CA 0.231 52.256 52.037 -0.020 0.000 0.779 363 A CB 0.314 19.307 19.000 -0.013 0.000 1.022 363 A HN 1.158 nan 8.150 nan 0.000 0.492 364 S N 0.498 116.183 115.700 -0.025 0.000 2.671 364 S HA 0.905 -7.001 4.470 -20.628 0.000 0.277 364 S C -0.569 173.995 174.600 -0.060 0.000 1.165 364 S CA -0.147 58.029 58.200 -0.039 0.000 0.822 364 S CB 1.576 64.746 63.200 -0.050 0.000 1.150 364 S HN 2.233 nan 8.310 nan 0.000 0.479 365 A N 0.264 123.006 122.820 -0.129 0.000 2.515 365 A HA 0.829 -7.227 4.320 -20.628 0.000 0.296 365 A C -1.412 175.969 177.584 -0.339 0.000 1.094 365 A CA -0.814 51.044 52.037 -0.299 0.000 0.718 365 A CB 1.732 20.397 19.000 -0.559 0.000 1.307 365 A HN 1.222 nan 8.150 nan 0.000 0.408 366 V N 1.143 120.806 119.914 -0.418 0.000 2.444 366 V HA 0.347 -7.909 4.120 -20.628 0.000 0.294 366 V C -0.923 174.925 176.094 -0.410 0.000 1.022 366 V CA -0.084 62.029 62.300 -0.313 0.000 0.850 366 V CB 1.080 32.719 31.823 -0.306 0.000 0.992 366 V HN 0.757 nan 8.190 nan 0.000 0.426 367 F N 3.009 122.944 119.950 -0.025 0.000 2.913 367 F HA 0.185 -7.667 4.527 -20.632 0.000 0.306 367 F C 1.584 177.347 175.800 -0.062 0.000 1.205 367 F CA -0.261 57.712 58.000 -0.045 0.000 1.359 367 F CB -0.223 38.752 39.000 -0.041 0.000 1.260 367 F HN 0.570 nan 8.300 nan 0.000 0.545 368 S N -0.124 115.570 115.700 -0.010 0.000 2.606 368 S HA 0.446 -7.461 4.470 -20.628 0.000 0.257 368 S C -0.178 174.407 174.600 -0.025 0.000 1.327 368 S CA -0.556 57.623 58.200 -0.034 0.000 0.984 368 S CB 1.151 64.295 63.200 -0.094 0.000 0.941 368 S HN 0.265 nan 8.310 nan 0.000 0.576 369 I N 2.043 122.596 120.570 -0.028 0.000 2.390 369 I HA 0.365 -7.841 4.170 -20.628 0.000 0.283 369 I C -2.427 173.676 176.117 -0.024 0.000 1.016 369 I CA -2.213 59.071 61.300 -0.027 0.000 1.151 369 I CB 1.703 39.689 38.000 -0.023 0.000 1.293 369 I HN 0.488 nan 8.210 nan 0.000 0.458 370 P HA 0.339 nan 4.420 nan 0.000 0.276 370 P C -2.586 174.657 177.300 -0.095 0.000 1.252 370 P CA -1.450 61.613 63.100 -0.063 0.000 0.802 370 P CB 0.052 31.706 31.700 -0.076 0.000 1.035 371 P HA 0.320 nan 4.420 nan 0.000 0.278 371 P C -0.654 176.508 177.300 -0.229 0.000 1.266 371 P CA -0.100 62.897 63.100 -0.171 0.000 0.807 371 P CB 0.911 32.513 31.700 -0.164 0.000 1.094 372 I N -0.226 120.172 120.570 -0.286 0.000 2.493 372 I HA 0.589 -7.618 4.170 -20.628 0.000 0.298 372 I C 0.626 176.607 176.117 -0.227 0.000 0.998 372 I CA -0.530 60.619 61.300 -0.251 0.000 1.137 372 I CB 2.083 39.916 38.000 -0.279 0.000 1.310 372 I HN 0.366 nan 8.210 nan 0.000 0.445 373 G N 2.260 110.977 108.800 -0.138 0.000 2.643 373 G HA2 0.603 -7.813 3.960 -20.628 0.000 0.305 373 G HA3 0.603 -7.813 3.960 -20.628 0.000 0.305 373 G C -1.222 173.671 174.900 -0.012 0.000 1.387 373 G CA -0.352 44.696 45.100 -0.087 0.000 0.982 373 G HN 0.490 nan 8.290 nan 0.000 0.501 374 T N -0.487 114.078 114.554 0.019 0.000 2.923 374 T HA 0.566 -7.461 4.350 -20.628 0.000 0.311 374 T C -1.503 173.187 174.700 -0.016 0.000 1.183 374 T CA -0.498 61.633 62.100 0.052 0.000 1.020 374 T CB 1.582 70.594 68.868 0.239 0.000 1.165 374 T HN 1.075 nan 8.240 nan 0.000 0.482 375 C N 3.584 122.826 119.300 -0.096 0.000 2.642 375 C HA 0.867 -7.049 4.460 -20.628 0.000 0.344 375 C C 0.713 175.635 174.990 -0.113 0.000 1.110 375 C CA 1.138 60.107 59.018 -0.082 0.000 1.298 375 C CB -0.070 27.629 27.740 -0.068 0.000 1.827 375 C HN 1.725 nan 8.230 nan 0.000 0.467 376 G N 4.590 113.368 108.800 -0.037 0.000 2.615 376 G HA2 -0.080 -8.496 3.960 -20.628 0.000 0.218 376 G HA3 -0.080 -8.496 3.960 -20.628 0.000 0.218 376 G C -0.946 173.996 174.900 0.070 0.000 1.339 376 G CA -0.302 44.794 45.100 -0.008 0.000 0.884 376 G HN 1.106 nan 8.290 nan 0.000 0.559 377 L N 1.107 122.383 121.223 0.087 0.000 2.371 377 L HA 0.557 -7.480 4.340 -20.628 0.000 0.272 377 L C 1.503 178.510 176.870 0.228 0.000 1.124 377 L CA -0.698 54.214 54.840 0.121 0.000 0.816 377 L CB 0.826 42.946 42.059 0.103 0.000 1.129 377 L HN 0.718 nan 8.230 nan 0.000 0.448 378 I N -0.891 119.730 120.570 0.084 0.000 2.886 378 I HA 0.138 -8.068 4.170 -20.628 0.000 0.299 378 I C 1.363 177.468 176.117 -0.020 0.000 1.044 378 I CA -0.595 60.669 61.300 -0.061 0.000 1.310 378 I CB 0.811 38.687 38.000 -0.207 0.000 1.441 378 I HN 0.836 nan 8.210 nan 0.000 0.578 379 E N 2.407 122.582 120.200 -0.042 0.000 2.110 379 E HA -0.249 -8.276 4.350 -20.628 0.000 0.193 379 E C 1.318 177.755 176.600 -0.272 0.000 0.988 379 E CA 1.692 58.035 56.400 -0.095 0.000 0.804 379 E CB -0.245 29.469 29.700 0.022 0.000 0.745 379 E HN 0.842 nan 8.360 nan 0.000 0.458 380 E N 1.251 121.332 120.200 -0.198 0.000 2.058 380 E HA -0.154 -8.180 4.350 -20.628 0.000 0.194 380 E C 2.289 178.811 176.600 -0.130 0.000 0.997 380 E CA 1.586 57.871 56.400 -0.192 0.000 0.801 380 E CB -0.261 29.389 29.700 -0.083 0.000 0.746 380 E HN 0.107 nan 8.360 nan 0.000 0.450 381 V N 1.064 120.936 119.914 -0.070 0.000 2.295 381 V HA -0.273 -8.530 4.120 -20.628 0.000 0.246 381 V C 2.234 178.336 176.094 0.012 0.000 1.049 381 V CA 1.863 64.148 62.300 -0.025 0.000 1.024 381 V CB -0.829 30.989 31.823 -0.007 0.000 0.648 381 V HN 0.384 nan 8.190 nan 0.000 0.447 382 A N -0.052 122.793 122.820 0.042 0.000 1.933 382 A HA -0.085 -8.141 4.320 -20.628 0.000 0.218 382 A C 2.362 180.050 177.584 0.174 0.000 1.175 382 A CA 1.886 54.031 52.037 0.181 0.000 0.628 382 A CB -0.700 18.382 19.000 0.138 0.000 0.814 382 A HN 0.585 nan 8.150 nan 0.000 0.444 383 A N -0.475 122.325 122.820 -0.035 0.000 2.067 383 A HA -0.093 -8.150 4.320 -20.628 0.000 0.219 383 A C 2.021 179.614 177.584 0.016 0.000 1.158 383 A CA 1.582 53.587 52.037 -0.052 0.000 0.661 383 A CB -0.301 18.477 19.000 -0.369 0.000 0.801 383 A HN 0.555 nan 8.150 nan 0.000 0.452 384 K N -0.948 119.447 120.400 -0.008 0.000 2.262 384 K HA -0.010 -8.067 4.320 -20.628 0.000 0.200 384 K C 1.811 178.379 176.600 -0.053 0.000 1.049 384 K CA 1.070 57.346 56.287 -0.018 0.000 0.979 384 K CB 0.137 32.620 32.500 -0.028 0.000 0.773 384 K HN 0.652 nan 8.250 nan 0.000 0.474 385 E N -0.258 119.890 120.200 -0.087 0.000 2.364 385 E HA 0.053 -7.974 4.350 -20.628 0.000 0.196 385 E C -0.608 175.652 176.600 -0.567 0.000 0.990 385 E CA 0.136 56.333 56.400 -0.339 0.000 0.886 385 E CB 0.488 29.922 29.700 -0.443 0.000 0.866 385 E HN -0.007 nan 8.360 nan 0.000 0.493 386 F N 0.158 120.124 119.950 0.027 0.000 2.551 386 F HA 0.263 -7.587 4.527 -20.628 0.000 0.316 386 F C 1.070 176.909 175.800 0.064 0.000 1.089 386 F CA -0.839 57.189 58.000 0.048 0.000 0.915 386 F CB 1.755 40.791 39.000 0.060 0.000 1.186 386 F HN -0.162 nan 8.300 nan 0.000 0.456 387 E N 1.474 121.819 120.200 0.243 0.000 2.047 387 E HA -0.102 -8.129 4.350 -20.628 0.000 0.191 387 E C -0.275 176.444 176.600 0.199 0.000 0.987 387 E CA 1.223 57.727 56.400 0.173 0.000 0.799 387 E CB 0.328 30.105 29.700 0.129 0.000 0.752 387 E HN 0.464 nan 8.360 nan 0.000 0.449 388 K N 0.755 121.295 120.400 0.233 0.000 2.450 388 K HA 0.285 -7.771 4.320 -20.628 0.000 0.257 388 K C -1.004 175.761 176.600 0.275 0.000 0.953 388 K CA -0.513 55.919 56.287 0.243 0.000 0.844 388 K CB 2.518 35.159 32.500 0.235 0.000 1.103 388 K HN 0.003 nan 8.250 nan 0.000 0.429 389 V N -0.246 119.841 119.914 0.288 0.000 2.680 389 V HA 0.937 -7.320 4.120 -20.628 0.000 0.309 389 V C -0.803 175.426 176.094 0.225 0.000 1.052 389 V CA -0.750 61.693 62.300 0.238 0.000 0.908 389 V CB 1.673 33.607 31.823 0.184 0.000 1.001 389 V HN 0.775 nan 8.190 nan 0.000 0.431 390 A N 4.246 127.137 122.820 0.118 0.000 2.340 390 A HA 0.896 -7.161 4.320 -20.628 0.000 0.331 390 A C -0.681 176.757 177.584 -0.244 0.000 1.140 390 A CA -0.703 51.214 52.037 -0.199 0.000 0.801 390 A CB 1.804 20.697 19.000 -0.179 0.000 1.234 390 A HN 1.455 nan 8.150 nan 0.000 0.469 391 V N 2.427 121.973 119.914 -0.614 0.000 2.444 391 V HA 0.351 -7.906 4.120 -20.628 0.000 0.294 391 V C -1.496 174.210 176.094 -0.646 0.000 1.022 391 V CA -0.351 61.619 62.300 -0.550 0.000 0.850 391 V CB 0.925 32.221 31.823 -0.879 0.000 0.992 391 V HN 0.740 nan 8.190 nan 0.000 0.426 392 Y N 4.825 124.971 120.300 -0.257 0.000 2.342 392 Y HA 0.694 -7.134 4.550 -20.629 0.000 0.338 392 Y C 0.156 176.003 175.900 -0.089 0.000 0.965 392 Y CA -0.598 57.406 58.100 -0.160 0.000 1.159 392 Y CB 1.646 40.050 38.460 -0.093 0.000 1.157 392 Y HN 0.583 nan 8.280 nan 0.000 0.486 393 M N 3.153 122.791 119.600 0.063 0.000 2.326 393 M HA 0.568 -7.329 4.480 -20.628 0.000 0.306 393 M C -1.157 175.228 176.300 0.141 0.000 1.054 393 M CA -0.367 54.995 55.300 0.102 0.000 0.922 393 M CB 1.481 34.151 32.600 0.117 0.000 1.632 393 M HN 0.569 nan 8.290 nan 0.000 0.436 394 S N 2.688 118.490 115.700 0.170 0.000 2.561 394 S HA 0.726 -7.181 4.470 -20.628 0.000 0.303 394 S C -1.480 173.255 174.600 0.225 0.000 1.110 394 S CA -0.443 57.899 58.200 0.237 0.000 1.034 394 S CB 1.562 64.929 63.200 0.277 0.000 1.010 394 S HN 0.733 nan 8.310 nan 0.000 0.482 395 S N 4.844 120.711 115.700 0.279 0.000 2.706 395 S HA 0.763 -7.144 4.470 -20.628 0.000 0.270 395 S C -1.277 173.508 174.600 0.309 0.000 1.163 395 S CA -0.671 57.643 58.200 0.189 0.000 1.042 395 S CB -0.088 63.189 63.200 0.129 0.000 1.079 395 S HN 0.959 nan 8.310 nan 0.000 0.474 396 F N -0.012 120.013 119.950 0.125 0.000 2.744 396 F HA 0.572 -7.275 4.527 -20.624 0.000 0.311 396 F C -0.674 175.198 175.800 0.120 0.000 1.144 396 F CA -0.990 57.070 58.000 0.100 0.000 0.938 396 F CB 0.583 39.631 39.000 0.080 0.000 1.292 396 F HN 0.201 nan 8.300 nan 0.000 0.444 397 T N 3.469 118.170 114.554 0.244 0.000 2.799 397 T HA 0.361 -7.666 4.350 -20.628 0.000 0.296 397 T C -2.488 172.366 174.700 0.257 0.000 0.947 397 T CA -0.607 61.589 62.100 0.160 0.000 1.141 397 T CB 0.343 69.300 68.868 0.147 0.000 0.891 397 T HN 0.335 nan 8.240 nan 0.000 0.533 398 P HA 0.075 nan 4.420 nan 0.000 0.269 398 P C 1.013 178.417 177.300 0.174 0.000 1.215 398 P CA -0.585 62.609 63.100 0.157 0.000 0.780 398 P CB 0.487 32.212 31.700 0.042 0.000 0.898 399 L N 3.608 124.926 121.223 0.157 0.000 2.012 399 L HA -0.215 -8.252 4.340 -20.628 0.000 0.210 399 L C 1.974 178.898 176.870 0.089 0.000 1.073 399 L CA 2.252 57.160 54.840 0.113 0.000 0.748 399 L CB -1.378 40.734 42.059 0.088 0.000 0.891 399 L HN 0.427 nan 8.230 nan 0.000 0.431 400 M N -2.592 117.051 119.600 0.072 0.000 2.358 400 M HA -0.132 -8.029 4.480 -20.628 0.000 0.264 400 M C 1.772 178.120 176.300 0.081 0.000 1.064 400 M CA 1.727 57.105 55.300 0.129 0.000 1.093 400 M CB -1.096 31.561 32.600 0.094 0.000 1.401 400 M HN 0.166 nan 8.290 nan 0.000 0.440 401 H N 0.503 119.643 119.070 0.116 0.000 2.544 401 H HA 0.213 -7.554 4.556 -20.538 0.000 0.269 401 H C 1.314 176.655 175.328 0.022 0.000 0.970 401 H CA 0.570 56.650 56.048 0.054 0.000 1.219 401 H CB -0.145 29.605 29.762 -0.021 0.000 1.421 401 H HN 0.512 nan 8.280 nan 0.000 0.555 402 N N 0.706 119.488 118.700 0.136 0.000 2.188 402 N HA -0.068 -7.705 4.740 -20.628 0.000 0.184 402 N C 2.021 177.547 175.510 0.027 0.000 1.018 402 N CA 0.592 53.686 53.050 0.074 0.000 0.858 402 N CB 0.032 38.558 38.487 0.065 0.000 0.989 402 N HN 0.346 nan 8.380 nan 0.000 0.426 403 I N 0.825 121.386 120.570 -0.015 0.000 2.353 403 I HA -0.188 -8.394 4.170 -20.628 0.000 0.248 403 I C 2.293 178.336 176.117 -0.123 0.000 1.119 403 I CA 0.844 62.045 61.300 -0.165 0.000 1.417 403 I CB -0.225 37.525 38.000 -0.417 0.000 1.078 403 I HN 0.122 nan 8.210 nan 0.000 0.421 404 S N 0.296 116.049 115.700 0.088 0.000 2.447 404 S HA 0.014 -7.892 4.470 -20.628 0.000 0.233 404 S C 1.828 176.523 174.600 0.159 0.000 1.006 404 S CA 0.898 59.245 58.200 0.245 0.000 0.957 404 S CB -0.007 63.454 63.200 0.435 0.000 0.773 404 S HN 0.624 nan 8.310 nan 0.000 0.507 405 G N 0.188 109.051 108.800 0.106 0.000 2.213 405 G HA2 -0.221 -8.638 3.960 -20.628 0.000 0.226 405 G HA3 -0.221 -8.638 3.960 -20.628 0.000 0.226 405 G C 0.360 175.302 174.900 0.070 0.000 0.992 405 G CA 0.078 45.228 45.100 0.083 0.000 0.632 405 G HN 0.694 nan 8.290 nan 0.000 0.511 406 S N 1.493 117.197 115.700 0.006 0.000 4.183 406 S HA 0.289 -7.618 4.470 -20.628 0.000 0.195 406 S C 1.466 175.825 174.600 -0.402 0.000 1.421 406 S CA 0.130 58.133 58.200 -0.329 0.000 0.920 406 S CB 0.576 63.443 63.200 -0.555 0.000 1.525 406 S HN 0.533 nan 8.310 nan 0.000 0.447 407 K N 0.673 121.002 120.400 -0.118 0.000 2.288 407 K HA -0.114 -8.171 4.320 -20.628 0.000 0.201 407 K C 1.433 178.015 176.600 -0.029 0.000 1.048 407 K CA 1.031 57.305 56.287 -0.022 0.000 0.956 407 K CB -0.203 32.336 32.500 0.065 0.000 0.746 407 K HN 0.802 nan 8.250 nan 0.000 0.461 408 Y N 0.505 120.803 120.300 -0.002 0.000 2.509 408 Y HA 0.063 4.566 4.550 -0.078 0.000 0.293 408 Y C 0.360 176.234 175.900 -0.043 0.000 1.133 408 Y CA 0.087 58.177 58.100 -0.018 0.000 1.283 408 Y CB -0.410 38.034 38.460 -0.028 0.000 1.001 408 Y HN -0.255 nan 8.280 nan 0.000 0.555 409 K N 2.890 123.003 120.400 -0.478 0.000 2.449 409 K HA 0.081 -7.976 4.320 -20.628 0.000 0.237 409 K C -0.420 176.106 176.600 -0.124 0.000 1.265 409 K CA 0.110 56.183 56.287 -0.357 0.000 1.193 409 K CB -0.094 31.983 32.500 -0.706 0.000 1.515 409 K HN 0.328 nan 8.250 nan 0.000 0.259 410 K N 1.490 121.867 120.400 -0.038 0.000 2.368 410 K HA 0.046 -8.010 4.320 -20.628 0.000 0.282 410 K C -0.220 176.362 176.600 -0.030 0.000 1.035 410 K CA -0.174 56.109 56.287 -0.007 0.000 0.973 410 K CB 0.416 32.931 32.500 0.025 0.000 0.957 410 K HN 0.198 nan 8.250 nan 0.000 0.474 411 F N 3.593 123.419 119.950 -0.206 0.000 2.438 411 F HA 0.146 -7.709 4.527 -20.637 0.000 0.356 411 F C -0.280 175.410 175.800 -0.183 0.000 1.099 411 F CA -0.523 57.351 58.000 -0.209 0.000 1.185 411 F CB 0.737 39.561 39.000 -0.292 0.000 1.115 411 F HN 0.095 nan 8.300 nan 0.000 0.526 412 V N 5.604 125.297 119.914 -0.369 0.000 2.459 412 V HA 0.760 -7.496 4.120 -20.628 0.000 0.295 412 V C -0.352 175.666 176.094 -0.127 0.000 1.029 412 V CA -0.726 61.487 62.300 -0.146 0.000 0.874 412 V CB 1.247 32.998 31.823 -0.120 0.000 0.985 412 V HN 0.917 nan 8.190 nan 0.000 0.438 413 A N 5.149 128.025 122.820 0.094 0.000 2.357 413 A HA 0.811 -7.246 4.320 -20.628 0.000 0.295 413 A C -0.619 177.026 177.584 0.100 0.000 1.121 413 A CA -0.736 51.379 52.037 0.130 0.000 0.742 413 A CB 1.056 20.207 19.000 0.252 0.000 1.181 413 A HN 0.779 nan 8.150 nan 0.000 0.454 414 K N 1.943 122.390 120.400 0.079 0.000 2.378 414 K HA 0.711 -7.346 4.320 -20.628 0.000 0.252 414 K C -1.399 175.215 176.600 0.024 0.000 0.931 414 K CA -0.353 55.988 56.287 0.090 0.000 0.794 414 K CB 2.496 35.086 32.500 0.150 0.000 1.181 414 K HN 0.657 nan 8.250 nan 0.000 0.425 415 I N 2.511 123.088 120.570 0.012 0.000 2.436 415 I HA 0.312 -7.895 4.170 -20.628 0.000 0.289 415 I C -0.701 175.444 176.117 0.047 0.000 1.010 415 I CA -1.244 60.007 61.300 -0.082 0.000 1.098 415 I CB 2.000 39.841 38.000 -0.265 0.000 1.266 415 I HN 0.168 nan 8.210 nan 0.000 0.434 416 V N 4.425 124.346 119.914 0.011 0.000 2.398 416 V HA 0.551 -7.705 4.120 -20.628 0.000 0.286 416 V C 0.244 176.342 176.094 0.007 0.000 1.026 416 V CA -0.418 61.910 62.300 0.047 0.000 0.868 416 V CB 1.617 33.486 31.823 0.077 0.000 0.982 416 V HN 0.883 nan 8.190 nan 0.000 0.443 417 T N 0.457 115.043 114.554 0.054 0.000 2.908 417 T HA 0.435 -7.592 4.350 -20.628 0.000 0.290 417 T C -0.300 174.369 174.700 -0.052 0.000 1.034 417 T CA -0.854 61.253 62.100 0.012 0.000 1.010 417 T CB 1.682 70.626 68.868 0.128 0.000 1.068 417 T HN 0.453 nan 8.240 nan 0.000 0.481 418 N N 0.603 119.179 118.700 -0.207 0.000 2.406 418 N HA 0.044 -7.592 4.740 -20.628 0.000 0.265 418 N C 0.572 176.080 175.510 -0.003 0.000 1.203 418 N CA 0.018 52.910 53.050 -0.264 0.000 0.945 418 N CB 0.226 38.406 38.487 -0.513 0.000 1.165 418 N HN 0.874 nan 8.380 nan 0.000 0.485 419 H N 1.973 121.062 119.070 0.032 0.000 2.546 419 H HA 0.121 -7.700 4.556 -20.628 0.000 0.277 419 H C 1.285 176.667 175.328 0.090 0.000 1.004 419 H CA 1.231 57.348 56.048 0.114 0.000 1.231 419 H CB 0.531 30.418 29.762 0.208 0.000 1.382 419 H HN 0.496 nan 8.280 nan 0.000 0.580 420 S N -0.150 115.563 115.700 0.022 0.000 2.383 420 S HA -0.116 -8.023 4.470 -20.628 0.000 0.227 420 S C 1.183 175.748 174.600 -0.059 0.000 1.026 420 S CA 1.466 59.657 58.200 -0.014 0.000 0.981 420 S CB 0.036 63.270 63.200 0.057 0.000 0.818 420 S HN 0.843 nan 8.310 nan 0.000 0.472 421 D N -2.037 118.333 120.400 -0.051 0.000 2.525 421 D HA 0.262 -7.474 4.640 -20.628 0.000 0.231 421 D C 1.047 177.319 176.300 -0.046 0.000 1.216 421 D CA 0.717 54.691 54.000 -0.043 0.000 0.813 421 D CB -0.293 40.498 40.800 -0.016 0.000 1.108 421 D HN 0.344 nan 8.370 nan 0.000 0.524 422 G N 0.330 109.103 108.800 -0.046 0.000 2.176 422 G HA2 -0.280 -8.697 3.960 -20.628 0.000 0.253 422 G HA3 -0.280 -8.697 3.960 -20.628 0.000 0.253 422 G C 0.422 175.304 174.900 -0.029 0.000 0.979 422 G CA 0.327 45.420 45.100 -0.013 0.000 0.641 422 G HN 0.423 nan 8.290 nan 0.000 0.530 423 T N 1.476 115.999 114.554 -0.052 0.000 2.871 423 T HA 0.346 -7.681 4.350 -20.628 0.000 0.296 423 T C 0.897 175.549 174.700 -0.080 0.000 0.998 423 T CA 0.226 62.289 62.100 -0.062 0.000 1.162 423 T CB 1.710 70.532 68.868 -0.076 0.000 0.947 423 T HN 0.501 nan 8.240 nan 0.000 0.536 424 V N 6.266 126.149 119.914 -0.052 0.000 2.479 424 V HA 0.075 -8.182 4.120 -20.628 0.000 0.281 424 V C 1.312 177.357 176.094 -0.082 0.000 1.031 424 V CA 0.212 62.465 62.300 -0.078 0.000 1.038 424 V CB 0.418 32.200 31.823 -0.067 0.000 0.981 424 V HN 0.830 nan 8.190 nan 0.000 0.478 425 L N 4.080 125.242 121.223 -0.101 0.000 2.357 425 L HA 0.462 -7.575 4.340 -20.628 0.000 0.211 425 L C 1.059 177.900 176.870 -0.049 0.000 1.075 425 L CA 0.756 55.549 54.840 -0.078 0.000 0.830 425 L CB 0.173 42.166 42.059 -0.110 0.000 0.996 425 L HN 0.784 nan 8.230 nan 0.000 0.467 426 G N -0.537 108.208 108.800 -0.092 0.000 2.732 426 G HA2 0.534 -7.883 3.960 -20.628 0.000 0.296 426 G HA3 0.534 -7.883 3.960 -20.628 0.000 0.296 426 G C -1.901 172.757 174.900 -0.404 0.000 1.448 426 G CA -0.302 44.681 45.100 -0.194 0.000 0.911 426 G HN -0.277 nan 8.290 nan 0.000 0.528 427 V N 2.427 121.959 119.914 -0.635 0.000 2.588 427 V HA 0.631 -7.625 4.120 -20.628 0.000 0.304 427 V C -1.056 174.587 176.094 -0.751 0.000 1.042 427 V CA -0.927 61.033 62.300 -0.566 0.000 0.877 427 V CB 1.890 33.522 31.823 -0.317 0.000 0.996 427 V HN 0.813 nan 8.190 nan 0.000 0.425 428 H N 5.240 124.289 119.070 -0.035 0.000 2.840 428 H HA 0.642 -7.179 4.556 -20.629 0.000 0.340 428 H C -1.210 174.086 175.328 -0.055 0.000 1.004 428 H CA -0.487 55.547 56.048 -0.024 0.000 1.288 428 H CB 2.242 32.004 29.762 0.001 0.000 1.607 428 H HN 0.428 nan 8.280 nan 0.000 0.522 429 L N 3.541 124.761 121.223 -0.005 0.000 2.381 429 L HA 0.447 -7.590 4.340 -20.628 0.000 0.268 429 L C -0.873 175.827 176.870 -0.285 0.000 0.997 429 L CA -1.054 53.692 54.840 -0.157 0.000 0.818 429 L CB 2.648 44.649 42.059 -0.097 0.000 1.310 429 L HN 0.253 nan 8.230 nan 0.000 0.416 430 L N 2.290 123.184 121.223 -0.549 0.000 2.439 430 L HA 0.992 -7.045 4.340 -20.628 0.000 0.270 430 L C -0.313 176.044 176.870 -0.854 0.000 0.972 430 L CA 0.297 54.826 54.840 -0.517 0.000 0.836 430 L CB 1.715 43.578 42.059 -0.327 0.000 1.255 430 L HN 0.735 nan 8.230 nan 0.000 0.404 431 G N 2.685 111.174 108.800 -0.518 0.000 2.359 431 G HA2 0.092 -8.324 3.960 -20.628 0.000 0.314 431 G HA3 0.092 -8.324 3.960 -20.628 0.000 0.314 431 G C -1.814 173.110 174.900 0.039 0.000 1.364 431 G CA -0.959 43.989 45.100 -0.254 0.000 0.978 431 G HN 0.564 nan 8.290 nan 0.000 0.615 432 D N 0.313 120.831 120.400 0.197 0.000 2.493 432 D HA 0.422 -7.315 4.640 -20.628 0.000 0.240 432 D C 1.508 177.931 176.300 0.205 0.000 1.142 432 D CA 2.140 56.243 54.000 0.171 0.000 0.872 432 D CB 0.890 41.797 40.800 0.180 0.000 1.173 432 D HN 1.911 nan 8.370 nan 0.000 0.467 433 G N 1.872 110.750 108.800 0.130 0.000 2.176 433 G HA2 -0.361 -8.778 3.960 -20.628 0.000 0.253 433 G HA3 -0.361 -8.778 3.960 -20.628 0.000 0.253 433 G C 1.259 176.227 174.900 0.112 0.000 0.979 433 G CA 0.840 46.010 45.100 0.118 0.000 0.641 433 G HN 0.709 nan 8.290 nan 0.000 0.530 434 A N 1.160 124.033 122.820 0.089 0.000 1.917 434 A HA 0.107 -7.949 4.320 -20.628 0.000 0.219 434 A C 0.644 178.216 177.584 -0.020 0.000 1.182 434 A CA 2.648 54.700 52.037 0.024 0.000 0.633 434 A CB -1.120 17.812 19.000 -0.113 0.000 0.819 434 A HN 0.484 nan 8.150 nan 0.000 0.448 435 P HA -0.110 nan 4.420 nan 0.000 0.217 435 P C 1.200 178.512 177.300 0.020 0.000 1.150 435 P CA 1.077 64.132 63.100 -0.076 0.000 0.832 435 P CB -0.002 31.618 31.700 -0.134 0.000 0.787 436 E N -0.617 119.616 120.200 0.054 0.000 2.152 436 E HA -0.040 -8.066 4.350 -20.628 0.000 0.192 436 E C 2.095 178.723 176.600 0.048 0.000 0.983 436 E CA 0.798 57.232 56.400 0.058 0.000 0.818 436 E CB -0.550 29.187 29.700 0.061 0.000 0.758 436 E HN 0.347 nan 8.360 nan 0.000 0.467 437 I N 0.555 121.160 120.570 0.058 0.000 2.315 437 I HA -0.209 -8.415 4.170 -20.628 0.000 0.248 437 I C 2.372 178.522 176.117 0.056 0.000 1.117 437 I CA 0.546 61.887 61.300 0.067 0.000 1.404 437 I CB -0.073 37.992 38.000 0.107 0.000 1.071 437 I HN 0.011 nan 8.210 nan 0.000 0.419 438 I N 0.683 121.276 120.570 0.038 0.000 2.676 438 I HA -0.242 -8.449 4.170 -20.628 0.000 0.259 438 I C 2.385 178.514 176.117 0.020 0.000 1.194 438 I CA 1.131 62.444 61.300 0.022 0.000 1.473 438 I CB -0.246 37.749 38.000 -0.007 0.000 1.096 438 I HN 0.183 nan 8.210 nan 0.000 0.443 439 Q N 1.270 121.083 119.800 0.022 0.000 2.002 439 Q HA -0.206 -8.242 4.340 -20.628 0.000 0.204 439 Q C 2.194 178.203 176.000 0.015 0.000 0.988 439 Q CA 2.715 58.528 55.803 0.017 0.000 0.843 439 Q CB -0.619 28.131 28.738 0.020 0.000 0.908 439 Q HN 0.522 nan 8.270 nan 0.000 0.420 440 A N -0.662 122.169 122.820 0.018 0.000 2.067 440 A HA -0.037 -8.093 4.320 -20.628 0.000 0.219 440 A C 2.224 179.822 177.584 0.023 0.000 1.158 440 A CA 1.201 53.244 52.037 0.010 0.000 0.661 440 A CB -0.507 18.493 19.000 0.001 0.000 0.801 440 A HN 0.285 nan 8.150 nan 0.000 0.452 441 V N -0.072 119.875 119.914 0.055 0.000 2.407 441 V HA -0.199 -8.456 4.120 -20.628 0.000 0.248 441 V C 2.802 178.933 176.094 0.062 0.000 1.055 441 V CA 1.884 64.246 62.300 0.104 0.000 1.049 441 V CB -1.351 30.532 31.823 0.101 0.000 0.662 441 V HN 0.597 nan 8.190 nan 0.000 0.455 442 G N 0.007 108.822 108.800 0.025 0.000 2.440 442 G HA2 -0.213 -8.630 3.960 -20.628 0.000 0.218 442 G HA3 -0.213 -8.630 3.960 -20.628 0.000 0.218 442 G C 1.634 176.538 174.900 0.006 0.000 1.154 442 G CA 1.306 46.411 45.100 0.009 0.000 0.767 442 G HN 0.417 nan 8.290 nan 0.000 0.552 443 V N 0.550 120.465 119.914 0.002 0.000 2.407 443 V HA -0.213 -8.470 4.120 -20.628 0.000 0.248 443 V C 3.024 179.109 176.094 -0.015 0.000 1.055 443 V CA 1.683 63.977 62.300 -0.011 0.000 1.049 443 V CB -0.817 30.995 31.823 -0.019 0.000 0.662 443 V HN 0.500 nan 8.190 nan 0.000 0.455 444 C N -0.347 118.948 119.300 -0.009 0.000 2.429 444 C HA -0.112 -8.028 4.460 -20.628 0.000 0.277 444 C C 2.591 177.594 174.990 0.022 0.000 1.262 444 C CA 0.630 59.636 59.018 -0.020 0.000 1.733 444 C CB -1.095 26.638 27.740 -0.011 0.000 2.010 444 C HN 0.472 nan 8.230 nan 0.000 0.483 445 L N 0.841 122.090 121.223 0.042 0.000 2.156 445 L HA -0.017 -8.053 4.340 -20.628 0.000 0.208 445 L C 2.658 179.535 176.870 0.011 0.000 1.095 445 L CA 1.446 56.305 54.840 0.032 0.000 0.770 445 L CB -0.894 41.177 42.059 0.020 0.000 0.914 445 L HN 0.328 nan 8.230 nan 0.000 0.439 446 R N 0.092 120.594 120.500 0.003 0.000 2.105 446 R HA -0.154 -8.191 4.340 -20.628 0.000 0.239 446 R C 1.613 177.910 176.300 -0.005 0.000 1.135 446 R CA 1.471 57.570 56.100 -0.003 0.000 0.967 446 R CB -0.303 29.992 30.300 -0.008 0.000 0.861 446 R HN 0.333 nan 8.270 nan 0.000 0.442 447 L N 1.516 122.732 121.223 -0.012 0.000 2.627 447 L HA 0.107 -7.930 4.340 -20.628 0.000 0.232 447 L C -0.186 176.674 176.870 -0.016 0.000 1.150 447 L CA -0.113 54.715 54.840 -0.020 0.000 0.917 447 L CB -0.219 41.818 42.059 -0.037 0.000 1.104 447 L HN 0.286 nan 8.230 nan 0.000 0.445 448 N N 0.180 118.878 118.700 -0.004 0.000 2.740 448 N HA -0.178 -7.815 4.740 -20.628 0.000 0.248 448 N C 0.417 175.925 175.510 -0.003 0.000 1.062 448 N CA 0.862 53.912 53.050 -0.000 0.000 0.704 448 N CB -1.038 37.449 38.487 -0.000 0.000 0.968 448 N HN 0.429 nan 8.380 nan 0.000 0.547 449 A N 0.219 123.044 122.820 0.007 0.000 2.561 449 A HA 0.148 -7.909 4.320 -20.628 0.000 0.234 449 A C 0.844 178.451 177.584 0.039 0.000 1.055 449 A CA 0.581 52.625 52.037 0.012 0.000 0.756 449 A CB 0.508 19.535 19.000 0.044 0.000 0.986 449 A HN 0.307 nan 8.150 nan 0.000 0.505 450 K N 0.973 121.375 120.400 0.003 0.000 2.168 450 K HA 0.381 -7.675 4.320 -20.628 0.000 0.239 450 K C 0.983 177.586 176.600 0.005 0.000 0.999 450 K CA -0.818 55.459 56.287 -0.017 0.000 0.900 450 K CB 1.210 33.673 32.500 -0.062 0.000 1.111 450 K HN 0.543 nan 8.250 nan 0.000 0.452 451 I N 1.573 122.095 120.570 -0.080 0.000 2.264 451 I HA -0.296 -8.503 4.170 -20.628 0.000 0.248 451 I C 1.987 177.838 176.117 -0.443 0.000 1.111 451 I CA 1.855 63.043 61.300 -0.187 0.000 1.382 451 I CB -0.262 37.564 38.000 -0.290 0.000 1.060 451 I HN 0.742 nan 8.210 nan 0.000 0.418 452 S N -0.497 114.836 115.700 -0.612 0.000 2.402 452 S HA -0.171 -8.078 4.470 -20.628 0.000 0.229 452 S C 1.765 175.978 174.600 -0.646 0.000 1.021 452 S CA 1.154 58.669 58.200 -1.141 0.000 0.974 452 S CB -0.745 62.135 63.200 -0.533 0.000 0.800 452 S HN 0.491 nan 8.310 nan 0.000 0.484 453 D N 0.907 121.108 120.400 -0.332 0.000 2.178 453 D HA -0.021 -7.757 4.640 -20.628 0.000 0.201 453 D C 1.398 177.512 176.300 -0.310 0.000 0.980 453 D CA 0.960 54.797 54.000 -0.270 0.000 0.842 453 D CB -0.345 40.311 40.800 -0.240 0.000 0.948 453 D HN 0.461 nan 8.370 nan 0.000 0.472 454 F N 0.463 120.250 119.950 -0.272 0.000 2.118 454 F HA -0.151 -8.001 4.527 -20.627 0.000 0.293 454 F C 2.327 178.070 175.800 -0.096 0.000 1.102 454 F CA 0.798 58.697 58.000 -0.168 0.000 1.247 454 F CB -0.788 38.120 39.000 -0.155 0.000 1.017 454 F HN 0.024 nan 8.300 nan 0.000 0.475 455 Y N -1.242 119.123 120.300 0.110 0.000 2.516 455 Y HA 0.111 -7.716 4.550 -20.629 0.000 0.291 455 Y C 1.408 177.321 175.900 0.022 0.000 1.131 455 Y CA 0.307 58.437 58.100 0.050 0.000 1.281 455 Y CB -1.612 36.862 38.460 0.024 0.000 1.013 455 Y HN -0.030 nan 8.280 nan 0.000 0.554 456 N N 0.066 118.817 118.700 0.084 0.000 2.398 456 N HA 0.010 -7.627 4.740 -20.628 0.000 0.188 456 N C -0.242 175.275 175.510 0.011 0.000 1.122 456 N CA 0.578 53.674 53.050 0.077 0.000 0.866 456 N CB -0.044 38.444 38.487 0.002 0.000 0.970 456 N HN 0.265 nan 8.380 nan 0.000 0.462 457 T N 1.513 116.056 114.554 -0.018 0.000 2.817 457 T HA 0.340 -7.686 4.350 -20.628 0.000 0.293 457 T C 0.829 175.534 174.700 0.008 0.000 0.964 457 T CA -0.341 61.736 62.100 -0.037 0.000 1.085 457 T CB 1.269 70.075 68.868 -0.103 0.000 0.921 457 T HN -0.040 nan 8.240 nan 0.000 0.502 458 I N 2.799 123.370 120.570 0.002 0.000 2.496 458 I HA 0.256 -7.951 4.170 -20.628 0.000 0.285 458 I C 1.443 177.571 176.117 0.019 0.000 1.080 458 I CA -0.318 60.990 61.300 0.013 0.000 1.404 458 I CB 0.538 38.541 38.000 0.005 0.000 1.403 458 I HN 0.660 nan 8.210 nan 0.000 0.539 459 G N 5.548 114.367 108.800 0.032 0.000 2.544 459 G HA2 0.343 -8.074 3.960 -20.628 0.000 0.242 459 G HA3 0.343 -8.074 3.960 -20.628 0.000 0.242 459 G C -0.295 174.638 174.900 0.055 0.000 1.247 459 G CA -0.423 44.706 45.100 0.048 0.000 0.840 459 G HN 0.409 nan 8.290 nan 0.000 0.578 460 V N 1.878 121.830 119.914 0.062 0.000 2.383 460 V HA 0.298 -7.958 4.120 -20.628 0.000 0.275 460 V C -0.166 175.995 176.094 0.113 0.000 1.036 460 V CA -0.542 61.798 62.300 0.066 0.000 0.889 460 V CB 0.900 32.742 31.823 0.032 0.000 0.985 460 V HN 0.837 nan 8.190 nan 0.000 0.459 461 H N 5.776 124.845 119.070 -0.002 0.000 2.538 461 H HA 0.744 -7.076 4.556 -20.627 0.000 0.353 461 H C -2.518 172.808 175.328 -0.003 0.000 1.109 461 H CA -1.741 54.307 56.048 -0.001 0.000 1.192 461 H CB 2.069 31.834 29.762 0.004 0.000 1.555 461 H HN 0.563 nan 8.280 nan 0.000 0.518 462 P HA 0.342 nan 4.420 nan 0.000 0.300 462 P C -1.196 175.994 177.300 -0.183 0.000 1.326 462 P CA -0.655 62.127 63.100 -0.529 0.000 0.844 462 P CB 1.644 32.961 31.700 -0.639 0.000 0.992 463 T N -2.293 112.209 114.554 -0.087 0.000 2.812 463 T HA 0.374 -7.653 4.350 -20.628 0.000 0.294 463 T C 0.787 175.405 174.700 -0.136 0.000 1.159 463 T CA -0.541 61.505 62.100 -0.091 0.000 1.008 463 T CB 1.041 69.878 68.868 -0.052 0.000 1.289 463 T HN 0.014 nan 8.240 nan 0.000 0.514 464 S N 0.019 115.569 115.700 -0.250 0.000 2.414 464 S HA 0.123 -7.783 4.470 -20.628 0.000 0.227 464 S C 2.382 176.775 174.600 -0.345 0.000 1.022 464 S CA 0.745 58.623 58.200 -0.537 0.000 0.958 464 S CB -0.728 61.855 63.200 -1.029 0.000 0.797 464 S HN 0.895 nan 8.310 nan 0.000 0.493 465 A N 2.277 125.014 122.820 -0.138 0.000 2.019 465 A HA -0.168 -8.224 4.320 -20.628 0.000 0.219 465 A C 1.969 179.573 177.584 0.033 0.000 1.164 465 A CA 1.529 53.562 52.037 -0.007 0.000 0.644 465 A CB -0.586 18.431 19.000 0.028 0.000 0.805 465 A HN 0.749 nan 8.150 nan 0.000 0.449 466 E N -0.320 119.894 120.200 0.024 0.000 2.265 466 E HA -0.213 -8.240 4.350 -20.628 0.000 0.196 466 E C 1.183 177.834 176.600 0.086 0.000 0.996 466 E CA 1.024 57.465 56.400 0.069 0.000 0.832 466 E CB -0.274 29.481 29.700 0.091 0.000 0.756 466 E HN 0.477 nan 8.360 nan 0.000 0.491 467 E N 1.260 121.501 120.200 0.068 0.000 2.171 467 E HA -0.156 -8.183 4.350 -20.628 0.000 0.197 467 E C 2.162 178.830 176.600 0.114 0.000 0.997 467 E CA 0.832 57.296 56.400 0.107 0.000 0.810 467 E CB -0.254 29.509 29.700 0.104 0.000 0.738 467 E HN 0.467 nan 8.360 nan 0.000 0.467 468 L N -0.450 120.840 121.223 0.110 0.000 2.265 468 L HA -0.156 -8.192 4.340 -20.628 0.000 0.215 468 L C 1.881 178.853 176.870 0.169 0.000 1.117 468 L CA 0.606 55.507 54.840 0.102 0.000 0.782 468 L CB -0.084 42.062 42.059 0.145 0.000 0.914 468 L HN 0.128 nan 8.230 nan 0.000 0.441 469 C N -1.656 117.750 119.300 0.177 0.000 2.974 469 C HA 0.167 -7.750 4.460 -20.628 0.000 0.282 469 C C 1.873 176.961 174.990 0.162 0.000 1.292 469 C CA -0.175 58.957 59.018 0.191 0.000 1.710 469 C CB -0.507 27.318 27.740 0.142 0.000 2.036 469 C HN 0.314 nan 8.230 nan 0.000 0.629 470 S N 0.406 116.185 115.700 0.132 0.000 2.663 470 S HA 0.351 -7.556 4.470 -20.628 0.000 0.243 470 S C 0.146 174.805 174.600 0.098 0.000 1.009 470 S CA 0.024 58.285 58.200 0.102 0.000 0.988 470 S CB -0.054 63.200 63.200 0.089 0.000 0.896 470 S HN 0.532 nan 8.310 nan 0.000 0.502 471 M N 1.499 121.171 119.600 0.120 0.000 2.078 471 M HA 0.429 -7.468 4.480 -20.628 0.000 0.320 471 M C 0.543 176.930 176.300 0.145 0.000 0.969 471 M CA -0.209 55.176 55.300 0.141 0.000 0.929 471 M CB 1.692 34.393 32.600 0.168 0.000 1.504 471 M HN 0.033 nan 8.290 nan 0.000 0.419 472 R N -0.070 120.478 120.500 0.080 0.000 2.257 472 R HA 0.206 -7.830 4.340 -20.628 0.000 0.195 472 R C -0.005 176.416 176.300 0.202 0.000 0.921 472 R CA 0.443 56.479 56.100 -0.108 0.000 1.069 472 R CB 0.697 30.727 30.300 -0.451 0.000 1.115 472 R HN 0.451 nan 8.270 nan 0.000 0.571 473 T N 3.366 118.037 114.554 0.194 0.000 2.770 473 T HA 0.336 -7.690 4.350 -20.628 0.000 0.283 473 T C -2.578 172.054 174.700 -0.114 0.000 0.988 473 T CA -1.609 60.548 62.100 0.095 0.000 0.957 473 T CB 2.088 70.969 68.868 0.022 0.000 0.930 473 T HN -0.148 nan 8.240 nan 0.000 0.443 474 P HA 0.139 nan 4.420 nan 0.000 0.266 474 P C 0.440 177.369 177.300 -0.618 0.000 1.193 474 P CA 0.072 62.505 63.100 -1.111 0.000 0.770 474 P CB 0.533 31.424 31.700 -1.349 0.000 0.836 475 S N 1.056 116.418 115.700 -0.565 0.000 2.395 475 S HA 0.040 -7.867 4.470 -20.628 0.000 0.225 475 S C 0.285 174.802 174.600 -0.138 0.000 1.027 475 S CA 0.960 59.019 58.200 -0.234 0.000 0.965 475 S CB -0.505 62.650 63.200 -0.075 0.000 0.812 475 S HN 0.685 nan 8.310 nan 0.000 0.482 476 Y N -2.514 117.496 120.300 -0.482 0.000 2.788 476 Y HA 0.693 -7.134 4.550 -20.630 0.000 0.335 476 Y C -1.628 173.875 175.900 -0.661 0.000 1.287 476 Y CA -2.094 55.739 58.100 -0.445 0.000 1.068 476 Y CB 0.543 38.845 38.460 -0.264 0.000 1.340 476 Y HN -0.098 nan 8.280 nan 0.000 0.449 477 Y N -0.662 119.596 120.300 -0.070 0.000 2.605 477 Y HA 0.656 -7.169 4.550 -20.626 0.000 0.343 477 Y C -1.461 174.353 175.900 -0.143 0.000 1.036 477 Y CA -1.519 56.511 58.100 -0.118 0.000 1.065 477 Y CB 2.060 40.437 38.460 -0.139 0.000 1.288 477 Y HN 0.565 nan 8.280 nan 0.000 0.481 478 Y N 0.450 120.884 120.300 0.223 0.000 2.328 478 Y HA 0.574 -7.254 4.550 -20.629 0.000 0.336 478 Y C -0.765 175.222 175.900 0.144 0.000 0.960 478 Y CA -1.126 57.077 58.100 0.171 0.000 1.134 478 Y CB 1.616 40.165 38.460 0.148 0.000 1.166 478 Y HN 0.187 nan 8.280 nan 0.000 0.464 479 V N 4.471 124.515 119.914 0.217 0.000 2.311 479 V HA 0.215 -8.042 4.120 -20.628 0.000 0.275 479 V C 0.058 176.235 176.094 0.139 0.000 1.022 479 V CA -1.468 60.920 62.300 0.146 0.000 0.830 479 V CB 0.855 32.717 31.823 0.066 0.000 1.012 479 V HN 0.800 nan 8.190 nan 0.000 0.452 480 K N 4.022 124.508 120.400 0.143 0.000 3.156 480 K HA -0.264 -8.321 4.320 -20.628 0.000 0.266 480 K C 1.198 177.873 176.600 0.125 0.000 0.966 480 K CA 0.705 57.061 56.287 0.115 0.000 0.719 480 K CB -1.282 31.265 32.500 0.079 0.000 1.333 480 K HN 1.470 nan 8.250 nan 0.000 0.468 481 G N -0.153 108.755 108.800 0.181 0.000 2.217 481 G HA2 -0.327 -8.744 3.960 -20.628 0.000 0.246 481 G HA3 -0.327 -8.744 3.960 -20.628 0.000 0.246 481 G C -0.195 174.876 174.900 0.284 0.000 0.990 481 G CA 0.347 45.567 45.100 0.200 0.000 0.627 481 G HN 0.476 nan 8.290 nan 0.000 0.522 482 E N 1.080 121.414 120.200 0.223 0.000 2.081 482 E HA 0.396 -7.630 4.350 -20.628 0.000 0.281 482 E C 0.313 176.950 176.600 0.062 0.000 0.986 482 E CA -0.644 55.839 56.400 0.139 0.000 0.796 482 E CB 0.389 30.134 29.700 0.075 0.000 1.085 482 E HN 0.307 nan 8.360 nan 0.000 0.398 483 K N 5.657 126.020 120.400 -0.062 0.000 2.412 483 K HA 0.141 -7.916 4.320 -20.628 0.000 0.281 483 K C -0.285 176.208 176.600 -0.178 0.000 1.027 483 K CA 0.239 56.302 56.287 -0.375 0.000 0.989 483 K CB 0.355 32.600 32.500 -0.426 0.000 0.935 483 K HN 0.563 nan 8.250 nan 0.000 0.475 484 M N 1.607 121.131 119.600 -0.128 0.000 2.471 484 M HA 0.242 -7.654 4.480 -20.628 0.000 0.284 484 M C -0.035 176.300 176.300 0.058 0.000 1.203 484 M CA -0.904 54.377 55.300 -0.031 0.000 0.915 484 M CB 1.777 34.378 32.600 0.001 0.000 1.734 484 M HN 0.441 nan 8.290 nan 0.000 0.485 485 E N 1.652 121.877 120.200 0.040 0.000 2.072 485 E HA 0.086 -7.941 4.350 -20.628 0.000 0.191 485 E C -0.265 176.432 176.600 0.162 0.000 0.985 485 E CA 1.353 57.797 56.400 0.074 0.000 0.801 485 E CB 0.443 30.156 29.700 0.022 0.000 0.750 485 E HN 0.618 nan 8.360 nan 0.000 0.452 486 K N -0.049 120.434 120.400 0.140 0.000 2.435 486 K HA 0.399 -7.658 4.320 -20.628 0.000 0.251 486 K C -0.607 175.976 176.600 -0.028 0.000 0.954 486 K CA -0.704 55.663 56.287 0.132 0.000 0.820 486 K CB 2.097 34.630 32.500 0.055 0.000 1.292 486 K HN -0.084 nan 8.250 nan 0.000 0.436 487 L N 2.993 124.054 121.223 -0.270 0.000 2.456 487 L HA 0.185 -7.851 4.340 -20.628 0.000 0.272 487 L C -1.911 174.867 176.870 -0.155 0.000 1.189 487 L CA -1.710 52.911 54.840 -0.365 0.000 0.846 487 L CB -0.063 41.671 42.059 -0.542 0.000 1.111 487 L HN 0.349 nan 8.230 nan 0.000 0.475 488 P HA -0.073 nan 4.420 nan 0.000 0.265 488 P C 0.174 177.443 177.300 -0.052 0.000 1.187 488 P CA 0.005 63.069 63.100 -0.060 0.000 0.766 488 P CB 0.482 32.155 31.700 -0.045 0.000 0.820 489 D N 1.167 121.548 120.400 -0.032 0.000 2.203 489 D HA -0.147 -7.884 4.640 -20.628 0.000 0.199 489 D C 0.632 176.920 176.300 -0.019 0.000 0.997 489 D CA 1.417 55.404 54.000 -0.021 0.000 0.863 489 D CB -0.060 40.732 40.800 -0.012 0.000 0.928 489 D HN 0.480 nan 8.370 nan 0.000 0.458 490 S N 0.000 115.689 115.700 -0.018 0.000 2.498 490 S HA 0.000 -7.907 4.470 -20.628 0.000 0.327 490 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 490 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 490 S HN 0.000 nan 8.310 nan 0.000 0.517