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 3cko_1_A DATA FIRST_RESID 15 DATA SEQUENCE GLRDTRPGDT WLADRSWNRP GWTVAELEAA KAGRTISVVL PALDEEDTIG DATA SEQUENCE SVIDSISPLV DGLVDELIVL DSGSTDDTEI RAVAAGARVV SREQALPEVP DATA SEQUENCE IRPGKGEALW RSLAASRGDI VVFVDSDLIN PHPMFVPWLV GPLLTGDGVH DATA SEQUENCE LVKSFYRRPX XXXXXXXXXX XXXXGRVTEL VARPLLAALR PELGCILQPL DATA SEQUENCE GGEYAATREL LTSVPFAPGY GVEIGLLVDT FDRLGLDAIA QVNLGVREHR DATA SEQUENCE NRPLAELGAM SRQVIATLLS RCGIPDSGVG LTQFVADGPE GQSYTQHTWP DATA SEQUENCE VSLADRPPMQ AIRPR 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 15 G C 0.000 174.194 174.900 -1.177 0.000 0.946 15 G CA 0.000 44.671 45.100 -0.715 0.000 0.502 16 L N 1.136 121.959 121.223 -0.665 0.000 2.599 16 L HA 0.313 4.655 4.340 0.005 0.000 0.230 16 L C 2.521 179.143 176.870 -0.412 0.000 1.141 16 L CA 0.254 54.744 54.840 -0.582 0.000 0.877 16 L CB 0.068 41.879 42.059 -0.415 0.000 1.009 16 L HN 0.135 nan 8.230 nan 0.000 0.447 17 R N -0.821 119.459 120.500 -0.367 0.000 2.280 17 R HA 0.052 4.395 4.340 0.005 0.000 0.195 17 R C -0.150 175.991 176.300 -0.265 0.000 0.935 17 R CA 0.269 56.217 56.100 -0.254 0.000 1.033 17 R CB 0.191 30.379 30.300 -0.187 0.000 0.964 17 R HN 0.036 nan 8.270 nan 0.000 0.489 18 D N 0.231 120.405 120.400 -0.377 0.000 2.337 18 D HA 0.048 4.691 4.640 0.005 0.000 0.238 18 D C -1.628 174.389 176.300 -0.471 0.000 1.331 18 D CA -0.077 53.721 54.000 -0.337 0.000 0.967 18 D CB 1.263 41.908 40.800 -0.259 0.000 1.382 18 D HN -0.155 nan 8.370 nan 0.000 0.549 19 T N 2.982 117.290 114.554 -0.411 0.000 2.906 19 T HA 0.462 4.815 4.350 0.005 0.000 0.302 19 T C -0.630 173.932 174.700 -0.230 0.000 1.002 19 T CA -0.692 61.156 62.100 -0.419 0.000 0.988 19 T CB 0.542 69.096 68.868 -0.524 0.000 0.972 19 T HN 0.109 nan 8.240 nan 0.000 0.447 20 R N 4.285 124.659 120.500 -0.211 0.000 2.500 20 R HA 0.415 4.758 4.340 0.005 0.000 0.277 20 R C -2.699 173.422 176.300 -0.298 0.000 1.026 20 R CA -2.598 53.380 56.100 -0.203 0.000 1.058 20 R CB 0.541 30.740 30.300 -0.169 0.000 1.078 20 R HN 0.469 nan 8.270 nan 0.000 0.509 21 P HA 0.042 nan 4.420 nan 0.000 0.259 21 P C 0.475 177.086 177.300 -1.148 0.000 1.211 21 P CA 0.891 63.574 63.100 -0.695 0.000 0.810 21 P CB 0.188 31.552 31.700 -0.561 0.000 0.815 22 G N 2.589 110.663 108.800 -1.209 0.000 2.421 22 G HA2 -0.142 3.821 3.960 0.005 0.000 0.188 22 G HA3 -0.142 3.821 3.960 0.005 0.000 0.188 22 G C -0.257 174.400 174.900 -0.406 0.000 1.001 22 G CA -0.569 43.783 45.100 -1.247 0.000 0.693 22 G HN 0.421 nan 8.290 nan 0.000 0.479 23 D N 2.091 122.367 120.400 -0.206 0.000 2.424 23 D HA 0.479 5.122 4.640 0.005 0.000 0.244 23 D C 0.395 176.867 176.300 0.288 0.000 1.134 23 D CA 0.824 54.903 54.000 0.131 0.000 0.881 23 D CB 1.149 42.097 40.800 0.247 0.000 1.191 23 D HN 0.117 nan 8.370 nan 0.000 0.445 24 T N 2.252 116.970 114.554 0.273 0.000 2.795 24 T HA 0.214 4.566 4.350 0.005 0.000 0.282 24 T C -0.530 174.137 174.700 -0.056 0.000 0.980 24 T CA -0.617 61.572 62.100 0.148 0.000 1.012 24 T CB 0.768 69.714 68.868 0.129 0.000 0.936 24 T HN 0.274 nan 8.240 nan 0.000 0.457 25 W N 5.566 126.522 121.300 -0.574 0.000 2.318 25 W HA 0.570 5.233 4.660 0.005 0.000 0.315 25 W C -1.249 174.967 176.519 -0.506 0.000 1.033 25 W CA -1.785 54.923 57.345 -1.061 0.000 1.275 25 W CB -0.121 28.441 29.460 -1.497 0.000 1.250 25 W HN 0.561 nan 8.180 nan 0.000 0.421 26 L N 4.888 125.889 121.223 -0.370 0.000 2.479 26 L HA 0.390 4.733 4.340 0.005 0.000 0.249 26 L C 1.679 178.229 176.870 -0.534 0.000 1.178 26 L CA -0.085 54.557 54.840 -0.331 0.000 0.811 26 L CB 0.326 42.296 42.059 -0.149 0.000 1.187 26 L HN 0.544 nan 8.230 nan 0.000 0.480 27 A N 0.398 123.008 122.820 -0.350 0.000 1.930 27 A HA -0.152 4.171 4.320 0.005 0.000 0.217 27 A C 1.359 178.779 177.584 -0.274 0.000 1.175 27 A CA 1.475 53.308 52.037 -0.341 0.000 0.627 27 A CB -0.583 18.308 19.000 -0.181 0.000 0.815 27 A HN 0.882 nan 8.150 nan 0.000 0.443 28 D N -1.255 119.043 120.400 -0.169 0.000 2.395 28 D HA 0.209 4.852 4.640 0.005 0.000 0.250 28 D C 0.904 177.187 176.300 -0.029 0.000 1.203 28 D CA 0.748 54.700 54.000 -0.079 0.000 0.872 28 D CB -1.255 39.525 40.800 -0.033 0.000 0.941 28 D HN 0.676 nan 8.370 nan 0.000 0.504 29 R N -0.347 120.107 120.500 -0.076 0.000 3.863 29 R HA -0.184 4.159 4.340 0.005 0.000 0.313 29 R C 0.595 177.090 176.300 0.325 0.000 1.202 29 R CA 1.188 57.417 56.100 0.214 0.000 0.852 29 R CB -3.382 27.067 30.300 0.249 0.000 1.292 29 R HN 0.801 nan 8.270 nan 0.000 0.519 30 S N -1.653 114.141 115.700 0.157 0.000 2.525 30 S HA 0.783 5.256 4.470 0.005 0.000 0.290 30 S C -0.284 174.424 174.600 0.179 0.000 1.152 30 S CA -0.788 57.530 58.200 0.196 0.000 1.072 30 S CB 1.545 64.812 63.200 0.113 0.000 1.027 30 S HN 0.642 nan 8.310 nan 0.000 0.500 31 W N 1.621 123.035 121.300 0.190 0.000 2.570 31 W HA 0.584 5.246 4.660 0.004 0.000 0.337 31 W C 0.133 176.714 176.519 0.104 0.000 1.067 31 W CA -0.290 57.151 57.345 0.161 0.000 1.229 31 W CB 1.462 30.957 29.460 0.059 0.000 1.355 31 W HN 0.746 nan 8.180 nan 0.000 0.555 32 N N 2.504 121.407 118.700 0.338 0.000 2.504 32 N HA 0.251 4.994 4.740 0.005 0.000 0.280 32 N C -1.342 174.288 175.510 0.199 0.000 1.052 32 N CA -0.807 52.374 53.050 0.218 0.000 0.887 32 N CB 0.991 39.574 38.487 0.160 0.000 1.323 32 N HN 0.433 nan 8.380 nan 0.000 0.509 33 R N 3.803 124.382 120.500 0.131 0.000 2.234 33 R HA 0.431 4.774 4.340 0.005 0.000 0.324 33 R C -2.023 174.266 176.300 -0.018 0.000 1.054 33 R CA -1.322 54.805 56.100 0.044 0.000 0.912 33 R CB 0.499 30.801 30.300 0.003 0.000 1.030 33 R HN 0.426 nan 8.270 nan 0.000 0.455 34 P HA 0.113 nan 4.420 nan 0.000 0.271 34 P C -0.425 176.597 177.300 -0.464 0.000 1.220 34 P CA -0.198 62.697 63.100 -0.341 0.000 0.768 34 P CB 1.408 32.736 31.700 -0.619 0.000 0.848 35 G N 3.528 112.114 108.800 -0.358 0.000 4.828 35 G HA2 0.365 4.328 3.960 0.005 0.000 0.294 35 G HA3 0.365 4.328 3.960 0.005 0.000 0.294 35 G C -0.380 174.493 174.900 -0.046 0.000 1.288 35 G CA -0.640 44.352 45.100 -0.182 0.000 0.987 35 G HN 0.593 nan 8.290 nan 0.000 0.587 36 W N 0.498 121.848 121.300 0.083 0.000 2.929 36 W HA 0.731 5.393 4.660 0.005 0.000 0.345 36 W C -0.134 176.424 176.519 0.065 0.000 1.151 36 W CA -0.884 56.502 57.345 0.067 0.000 1.111 36 W CB 0.589 30.087 29.460 0.064 0.000 1.449 36 W HN 0.148 nan 8.180 nan 0.000 0.572 37 T N -2.392 112.453 114.554 0.486 0.000 2.910 37 T HA 0.324 4.677 4.350 0.005 0.000 0.279 37 T C 0.763 175.690 174.700 0.378 0.000 0.989 37 T CA -0.584 61.740 62.100 0.373 0.000 0.968 37 T CB 1.598 70.576 68.868 0.184 0.000 1.135 37 T HN 0.269 nan 8.240 nan 0.000 0.562 38 V N 1.009 121.057 119.914 0.224 0.000 2.407 38 V HA -0.064 4.058 4.120 0.005 0.000 0.248 38 V C 3.093 179.193 176.094 0.010 0.000 1.055 38 V CA 2.181 64.529 62.300 0.080 0.000 1.049 38 V CB -1.596 30.253 31.823 0.043 0.000 0.662 38 V HN 1.051 nan 8.190 nan 0.000 0.455 39 A N -0.385 122.457 122.820 0.037 0.000 1.969 39 A HA -0.208 4.115 4.320 0.005 0.000 0.218 39 A C 2.172 179.760 177.584 0.007 0.000 1.169 39 A CA 1.690 53.735 52.037 0.014 0.000 0.635 39 A CB -0.384 18.631 19.000 0.025 0.000 0.810 39 A HN 0.616 nan 8.150 nan 0.000 0.445 40 E N -0.359 119.865 120.200 0.041 0.000 2.152 40 E HA -0.038 4.315 4.350 0.005 0.000 0.192 40 E C 1.855 178.425 176.600 -0.050 0.000 0.983 40 E CA 0.603 57.025 56.400 0.037 0.000 0.818 40 E CB -0.167 29.609 29.700 0.126 0.000 0.758 40 E HN 0.574 nan 8.360 nan 0.000 0.467 41 L N 0.882 122.016 121.223 -0.148 0.000 2.141 41 L HA -0.162 4.181 4.340 0.005 0.000 0.209 41 L C 2.530 179.279 176.870 -0.203 0.000 1.094 41 L CA 1.040 55.685 54.840 -0.324 0.000 0.763 41 L CB -0.160 41.538 42.059 -0.601 0.000 0.908 41 L HN 0.206 nan 8.230 nan 0.000 0.437 42 E N 0.086 120.207 120.200 -0.132 0.000 2.153 42 E HA -0.222 4.131 4.350 0.005 0.000 0.194 42 E C 2.078 178.635 176.600 -0.071 0.000 0.988 42 E CA 1.061 57.405 56.400 -0.093 0.000 0.811 42 E CB 0.097 29.758 29.700 -0.065 0.000 0.746 42 E HN 0.484 nan 8.360 nan 0.000 0.466 43 A N 0.633 123.418 122.820 -0.058 0.000 2.066 43 A HA 0.085 4.408 4.320 0.005 0.000 0.218 43 A C 2.167 179.723 177.584 -0.046 0.000 1.157 43 A CA 1.132 53.145 52.037 -0.040 0.000 0.670 43 A CB -0.230 18.757 19.000 -0.021 0.000 0.804 43 A HN 0.331 nan 8.150 nan 0.000 0.453 44 A N -0.302 122.476 122.820 -0.071 0.000 2.206 44 A HA 0.067 4.390 4.320 0.005 0.000 0.211 44 A C 1.873 179.413 177.584 -0.073 0.000 1.158 44 A CA 1.075 53.068 52.037 -0.073 0.000 0.761 44 A CB -0.266 18.670 19.000 -0.106 0.000 0.801 44 A HN 0.530 nan 8.150 nan 0.000 0.473 45 K N -0.311 120.043 120.400 -0.075 0.000 2.026 45 K HA 0.114 4.437 4.320 0.005 0.000 0.208 45 K C 0.935 177.507 176.600 -0.047 0.000 1.048 45 K CA 0.729 56.976 56.287 -0.066 0.000 0.929 45 K CB -0.457 32.003 32.500 -0.066 0.000 0.713 45 K HN 0.688 nan 8.250 nan 0.000 0.439 46 A N 0.350 123.147 122.820 -0.039 0.000 2.251 46 A HA -0.131 4.191 4.320 0.005 0.000 0.283 46 A C 1.035 178.604 177.584 -0.025 0.000 1.415 46 A CA 0.999 53.019 52.037 -0.028 0.000 0.742 46 A CB -2.134 16.852 19.000 -0.023 0.000 1.151 46 A HN 0.760 nan 8.150 nan 0.000 0.354 47 G N -0.221 108.564 108.800 -0.025 0.000 2.336 47 G HA2 -0.296 3.667 3.960 0.005 0.000 0.233 47 G HA3 -0.296 3.667 3.960 0.005 0.000 0.233 47 G C 0.395 175.280 174.900 -0.025 0.000 1.053 47 G CA 0.699 45.786 45.100 -0.022 0.000 0.625 47 G HN 1.295 nan 8.290 nan 0.000 0.511 48 R N 2.083 122.565 120.500 -0.029 0.000 2.491 48 R HA 0.478 4.821 4.340 0.005 0.000 0.283 48 R C 0.594 176.871 176.300 -0.038 0.000 1.072 48 R CA 0.763 56.844 56.100 -0.031 0.000 1.048 48 R CB 0.516 30.796 30.300 -0.034 0.000 0.983 48 R HN 0.455 nan 8.270 nan 0.000 0.450 49 T N 0.312 114.844 114.554 -0.037 0.000 2.902 49 T HA 0.579 4.932 4.350 0.005 0.000 0.283 49 T C 0.277 174.946 174.700 -0.052 0.000 1.009 49 T CA -0.810 61.263 62.100 -0.044 0.000 1.051 49 T CB 1.139 69.982 68.868 -0.041 0.000 0.999 49 T HN 0.336 nan 8.240 nan 0.000 0.474 50 I N 1.980 122.513 120.570 -0.061 0.000 2.406 50 I HA 0.400 4.573 4.170 0.005 0.000 0.290 50 I C -0.048 176.019 176.117 -0.083 0.000 0.999 50 I CA -0.695 60.560 61.300 -0.074 0.000 1.124 50 I CB 2.045 39.999 38.000 -0.076 0.000 1.289 50 I HN 0.643 nan 8.210 nan 0.000 0.441 51 S N 4.778 120.414 115.700 -0.107 0.000 2.501 51 S HA 0.627 5.100 4.470 0.005 0.000 0.301 51 S C -0.438 174.061 174.600 -0.167 0.000 1.096 51 S CA -0.663 57.462 58.200 -0.124 0.000 1.063 51 S CB 2.247 65.369 63.200 -0.130 0.000 1.042 51 S HN 0.284 nan 8.310 nan 0.000 0.494 52 V N 3.221 123.049 119.914 -0.143 0.000 2.409 52 V HA 0.458 4.581 4.120 0.005 0.000 0.291 52 V C -0.496 175.511 176.094 -0.145 0.000 1.020 52 V CA -0.606 61.600 62.300 -0.155 0.000 0.848 52 V CB 1.585 33.354 31.823 -0.089 0.000 0.990 52 V HN 0.676 nan 8.190 nan 0.000 0.430 53 V N 6.743 126.535 119.914 -0.204 0.000 2.417 53 V HA 0.500 4.622 4.120 0.005 0.000 0.291 53 V C -0.289 175.819 176.094 0.024 0.000 1.024 53 V CA -0.480 61.765 62.300 -0.092 0.000 0.861 53 V CB 1.753 33.515 31.823 -0.102 0.000 0.985 53 V HN 0.664 nan 8.190 nan 0.000 0.436 54 L N 7.636 128.890 121.223 0.051 0.000 2.324 54 L HA 0.455 4.798 4.340 0.005 0.000 0.274 54 L C -2.421 174.507 176.870 0.096 0.000 1.012 54 L CA -1.727 53.160 54.840 0.078 0.000 0.859 54 L CB 1.900 43.988 42.059 0.049 0.000 1.224 54 L HN 0.404 nan 8.230 nan 0.000 0.429 55 P HA 0.203 nan 4.420 nan 0.000 0.271 55 P C -0.836 176.522 177.300 0.096 0.000 1.220 55 P CA -0.069 63.102 63.100 0.118 0.000 0.768 55 P CB 1.574 33.356 31.700 0.138 0.000 0.848 56 A N 4.095 126.963 122.820 0.080 0.000 2.375 56 A HA 0.594 4.917 4.320 0.005 0.000 0.295 56 A C -1.531 176.093 177.584 0.066 0.000 1.066 56 A CA -0.599 51.480 52.037 0.071 0.000 0.722 56 A CB 1.009 20.043 19.000 0.057 0.000 1.206 56 A HN 0.486 nan 8.150 nan 0.000 0.435 57 L N 2.429 123.695 121.223 0.072 0.000 2.415 57 L HA 0.557 4.900 4.340 0.005 0.000 0.268 57 L C -0.907 176.003 176.870 0.067 0.000 0.984 57 L CA 0.175 55.055 54.840 0.067 0.000 0.853 57 L CB 0.839 42.941 42.059 0.072 0.000 1.215 57 L HN 0.761 nan 8.230 nan 0.000 0.419 58 D N 3.716 124.149 120.400 0.055 0.000 2.927 58 D HA -0.162 4.481 4.640 0.005 0.000 0.236 58 D C -0.342 175.989 176.300 0.052 0.000 1.163 58 D CA 0.846 54.877 54.000 0.050 0.000 0.801 58 D CB -0.239 40.593 40.800 0.053 0.000 0.975 58 D HN 0.647 nan 8.370 nan 0.000 0.413 59 E N 0.230 120.459 120.200 0.048 0.000 3.646 59 E HA 0.034 4.387 4.350 0.005 0.000 0.211 59 E C 1.444 178.065 176.600 0.035 0.000 1.034 59 E CA -0.094 56.334 56.400 0.047 0.000 1.341 59 E CB 0.199 29.933 29.700 0.056 0.000 1.202 59 E HN 0.674 nan 8.360 nan 0.000 0.447 60 E N 0.178 120.396 120.200 0.029 0.000 2.204 60 E HA -0.176 4.177 4.350 0.005 0.000 0.194 60 E C 0.621 177.231 176.600 0.017 0.000 0.989 60 E CA 0.947 57.360 56.400 0.022 0.000 0.824 60 E CB 0.137 29.848 29.700 0.019 0.000 0.756 60 E HN 0.004 nan 8.360 nan 0.000 0.477 61 D N 0.852 121.263 120.400 0.019 0.000 2.213 61 D HA -0.068 4.574 4.640 0.005 0.000 0.205 61 D C 1.950 178.257 176.300 0.012 0.000 0.961 61 D CA 1.975 55.984 54.000 0.014 0.000 0.853 61 D CB 0.283 41.092 40.800 0.014 0.000 0.967 61 D HN 0.447 nan 8.370 nan 0.000 0.496 62 T N -1.486 113.079 114.554 0.018 0.000 3.000 62 T HA 0.141 4.494 4.350 0.005 0.000 0.248 62 T C 2.123 176.832 174.700 0.015 0.000 1.034 62 T CA -0.254 61.856 62.100 0.017 0.000 1.060 62 T CB -0.153 68.733 68.868 0.030 0.000 0.983 62 T HN 0.011 nan 8.240 nan 0.000 0.482 63 I N 2.040 122.621 120.570 0.019 0.000 2.361 63 I HA 0.003 4.176 4.170 0.005 0.000 0.251 63 I C 2.491 178.611 176.117 0.005 0.000 1.133 63 I CA 1.302 62.612 61.300 0.017 0.000 1.413 63 I CB -0.440 37.574 38.000 0.023 0.000 1.073 63 I HN 0.422 nan 8.210 nan 0.000 0.424 64 G N -0.724 108.076 108.800 0.000 0.000 2.421 64 G HA2 -0.317 3.645 3.960 0.005 0.000 0.216 64 G HA3 -0.317 3.645 3.960 0.005 0.000 0.216 64 G C 1.705 176.594 174.900 -0.017 0.000 1.171 64 G CA 0.906 46.002 45.100 -0.008 0.000 0.775 64 G HN 0.428 nan 8.290 nan 0.000 0.543 65 S N -0.502 115.186 115.700 -0.019 0.000 2.383 65 S HA -0.079 4.394 4.470 0.005 0.000 0.227 65 S C 2.527 177.100 174.600 -0.045 0.000 1.026 65 S CA 1.354 59.533 58.200 -0.034 0.000 0.981 65 S CB -0.224 62.956 63.200 -0.033 0.000 0.818 65 S HN 0.128 nan 8.310 nan 0.000 0.472 66 V N 1.889 121.785 119.914 -0.030 0.000 2.343 66 V HA -0.139 3.984 4.120 0.005 0.000 0.247 66 V C 2.199 178.274 176.094 -0.031 0.000 1.051 66 V CA 1.840 64.122 62.300 -0.030 0.000 1.036 66 V CB -0.618 31.206 31.823 0.003 0.000 0.654 66 V HN 0.498 nan 8.190 nan 0.000 0.451 67 I N 0.120 120.677 120.570 -0.022 0.000 2.252 67 I HA -0.205 3.968 4.170 0.005 0.000 0.245 67 I C 2.234 178.329 176.117 -0.036 0.000 1.102 67 I CA 1.430 62.716 61.300 -0.024 0.000 1.385 67 I CB -0.497 37.493 38.000 -0.016 0.000 1.064 67 I HN 0.297 nan 8.210 nan 0.000 0.414 68 D N 0.520 120.895 120.400 -0.042 0.000 2.178 68 D HA -0.147 4.496 4.640 0.005 0.000 0.201 68 D C 2.360 178.619 176.300 -0.069 0.000 0.980 68 D CA 1.771 55.740 54.000 -0.051 0.000 0.842 68 D CB -0.146 40.624 40.800 -0.050 0.000 0.948 68 D HN 0.386 nan 8.370 nan 0.000 0.472 69 S N -0.224 115.425 115.700 -0.085 0.000 2.453 69 S HA -0.015 4.458 4.470 0.005 0.000 0.231 69 S C 1.959 176.504 174.600 -0.092 0.000 1.005 69 S CA 0.338 58.469 58.200 -0.116 0.000 0.949 69 S CB -0.234 62.869 63.200 -0.163 0.000 0.774 69 S HN 0.268 nan 8.310 nan 0.000 0.510 70 I N 0.932 121.464 120.570 -0.063 0.000 3.854 70 I HA 0.117 4.290 4.170 0.005 0.000 0.312 70 I C 2.155 178.245 176.117 -0.045 0.000 1.273 70 I CA 0.052 61.324 61.300 -0.046 0.000 1.298 70 I CB -0.155 37.828 38.000 -0.028 0.000 1.071 70 I HN 0.166 nan 8.210 nan 0.000 0.428 71 S N 2.163 117.836 115.700 -0.045 0.000 2.359 71 S HA -0.121 4.352 4.470 0.005 0.000 0.223 71 S C -0.423 174.153 174.600 -0.040 0.000 1.039 71 S CA 1.831 60.008 58.200 -0.040 0.000 1.042 71 S CB -1.241 61.937 63.200 -0.038 0.000 0.915 71 S HN 0.321 nan 8.310 nan 0.000 0.439 72 P HA 0.043 nan 4.420 nan 0.000 0.228 72 P C 0.861 178.137 177.300 -0.040 0.000 1.151 72 P CA 0.720 63.796 63.100 -0.041 0.000 0.770 72 P CB -0.127 31.545 31.700 -0.046 0.000 0.786 73 L N -2.047 119.150 121.223 -0.044 0.000 2.341 73 L HA 0.025 4.368 4.340 0.005 0.000 0.214 73 L C 0.768 177.612 176.870 -0.043 0.000 1.115 73 L CA 0.072 54.886 54.840 -0.045 0.000 0.820 73 L CB -0.529 41.500 42.059 -0.049 0.000 0.944 73 L HN -0.229 nan 8.230 nan 0.000 0.452 74 V N 1.442 121.332 119.914 -0.040 0.000 2.655 74 V HA -0.048 4.075 4.120 0.005 0.000 0.300 74 V C 0.705 176.778 176.094 -0.035 0.000 1.044 74 V CA 0.478 62.755 62.300 -0.038 0.000 1.095 74 V CB 0.785 32.587 31.823 -0.035 0.000 0.952 74 V HN 0.485 nan 8.190 nan 0.000 0.485 75 D N 2.255 122.634 120.400 -0.035 0.000 2.837 75 D HA -0.172 4.471 4.640 0.005 0.000 0.195 75 D C 0.994 177.274 176.300 -0.033 0.000 1.033 75 D CA 1.720 55.701 54.000 -0.032 0.000 1.021 75 D CB -1.196 39.588 40.800 -0.027 0.000 1.101 75 D HN 0.774 nan 8.370 nan 0.000 0.431 76 G N 0.088 108.866 108.800 -0.037 0.000 2.601 76 G HA2 0.307 4.270 3.960 0.005 0.000 0.214 76 G HA3 0.307 4.270 3.960 0.005 0.000 0.214 76 G C 1.202 176.073 174.900 -0.048 0.000 2.067 76 G CA 0.370 45.447 45.100 -0.038 0.000 0.774 76 G HN 0.189 nan 8.290 nan 0.000 0.729 77 L N 0.501 121.690 121.223 -0.056 0.000 2.072 77 L HA 0.287 4.630 4.340 0.005 0.000 0.205 77 L C 0.829 177.658 176.870 -0.068 0.000 1.079 77 L CA 0.868 55.665 54.840 -0.071 0.000 0.752 77 L CB -0.082 41.925 42.059 -0.087 0.000 0.906 77 L HN 0.030 nan 8.230 nan 0.000 0.436 78 V N 1.297 121.175 119.914 -0.060 0.000 2.432 78 V HA 0.108 4.231 4.120 0.005 0.000 0.275 78 V C 0.670 176.732 176.094 -0.053 0.000 1.043 78 V CA -0.349 61.916 62.300 -0.059 0.000 0.925 78 V CB 1.111 32.901 31.823 -0.056 0.000 0.985 78 V HN 0.275 nan 8.190 nan 0.000 0.466 79 D N 3.299 123.666 120.400 -0.055 0.000 2.213 79 D HA 0.028 4.671 4.640 0.005 0.000 0.205 79 D C 0.553 176.825 176.300 -0.047 0.000 0.961 79 D CA 0.805 54.776 54.000 -0.049 0.000 0.853 79 D CB 0.773 41.544 40.800 -0.048 0.000 0.967 79 D HN 0.867 nan 8.370 nan 0.000 0.496 80 E N 0.310 120.478 120.200 -0.054 0.000 2.335 80 E HA 0.417 4.770 4.350 0.005 0.000 0.280 80 E C -1.493 175.074 176.600 -0.056 0.000 0.918 80 E CA -0.864 55.505 56.400 -0.051 0.000 0.765 80 E CB 1.974 31.644 29.700 -0.051 0.000 1.218 80 E HN -0.157 nan 8.360 nan 0.000 0.425 81 L N 3.894 125.089 121.223 -0.047 0.000 2.295 81 L HA 0.539 4.881 4.340 0.005 0.000 0.281 81 L C -1.633 175.215 176.870 -0.036 0.000 1.018 81 L CA -0.470 54.343 54.840 -0.044 0.000 0.841 81 L CB 0.832 42.870 42.059 -0.036 0.000 1.218 81 L HN 0.673 nan 8.230 nan 0.000 0.424 82 I N 5.407 125.953 120.570 -0.040 0.000 2.404 82 I HA 0.406 4.579 4.170 0.005 0.000 0.293 82 I C -0.604 175.508 176.117 -0.009 0.000 0.992 82 I CA -0.941 60.343 61.300 -0.027 0.000 1.149 82 I CB 2.007 39.986 38.000 -0.035 0.000 1.315 82 I HN 0.194 nan 8.210 nan 0.000 0.446 83 V N 6.818 126.733 119.914 0.002 0.000 2.350 83 V HA 0.222 4.345 4.120 0.005 0.000 0.276 83 V C 0.033 176.142 176.094 0.025 0.000 1.028 83 V CA -0.590 61.721 62.300 0.018 0.000 0.860 83 V CB 1.649 33.482 31.823 0.017 0.000 0.990 83 V HN 0.446 nan 8.190 nan 0.000 0.453 84 L N 4.967 126.216 121.223 0.043 0.000 2.312 84 L HA 0.380 4.722 4.340 0.005 0.000 0.287 84 L C 0.033 176.932 176.870 0.049 0.000 1.091 84 L CA 0.197 55.065 54.840 0.047 0.000 0.846 84 L CB 0.697 42.798 42.059 0.070 0.000 1.219 84 L HN 0.673 nan 8.230 nan 0.000 0.439 85 D N 2.230 122.653 120.400 0.037 0.000 2.343 85 D HA -0.031 4.611 4.640 0.005 0.000 0.255 85 D C 0.499 176.823 176.300 0.040 0.000 1.187 85 D CA 0.378 54.400 54.000 0.037 0.000 0.875 85 D CB 1.100 41.917 40.800 0.028 0.000 1.136 85 D HN 0.415 nan 8.370 nan 0.000 0.469 86 S N 2.916 118.644 115.700 0.046 0.000 2.596 86 S HA 0.370 4.843 4.470 0.005 0.000 0.248 86 S C 0.729 175.354 174.600 0.041 0.000 1.162 86 S CA 0.191 58.419 58.200 0.046 0.000 1.185 86 S CB -1.034 62.196 63.200 0.050 0.000 0.833 86 S HN 0.758 nan 8.310 nan 0.000 0.472 87 G N 1.597 110.418 108.800 0.036 0.000 2.368 87 G HA2 -0.200 3.763 3.960 0.005 0.000 0.290 87 G HA3 -0.200 3.763 3.960 0.005 0.000 0.290 87 G C -0.107 174.813 174.900 0.033 0.000 1.098 87 G CA 0.105 45.224 45.100 0.032 0.000 1.073 87 G HN 0.568 nan 8.290 nan 0.000 0.511 88 S N -0.385 115.335 115.700 0.033 0.000 2.565 88 S HA 0.524 4.997 4.470 0.005 0.000 0.276 88 S C 1.665 176.282 174.600 0.028 0.000 1.326 88 S CA 0.272 58.492 58.200 0.034 0.000 1.045 88 S CB 1.369 64.589 63.200 0.034 0.000 0.918 88 S HN 1.087 nan 8.310 nan 0.000 0.505 89 T N -1.708 112.863 114.554 0.029 0.000 3.022 89 T HA 0.078 4.431 4.350 0.005 0.000 0.250 89 T C 0.376 175.089 174.700 0.022 0.000 1.060 89 T CA -0.168 61.946 62.100 0.024 0.000 1.013 89 T CB -0.210 68.673 68.868 0.025 0.000 0.982 89 T HN 0.670 nan 8.240 nan 0.000 0.508 90 D N 1.353 121.767 120.400 0.024 0.000 2.539 90 D HA 0.193 4.836 4.640 0.005 0.000 0.280 90 D C -0.414 175.897 176.300 0.019 0.000 1.208 90 D CA -0.752 53.260 54.000 0.021 0.000 1.088 90 D CB -0.028 40.787 40.800 0.024 0.000 1.149 90 D HN -0.148 nan 8.370 nan 0.000 0.596 91 D N -1.021 119.389 120.400 0.017 0.000 2.676 91 D HA 0.123 4.766 4.640 0.005 0.000 0.239 91 D C 0.804 177.113 176.300 0.015 0.000 1.213 91 D CA 0.123 54.131 54.000 0.014 0.000 0.835 91 D CB -0.192 40.614 40.800 0.011 0.000 1.009 91 D HN 0.276 nan 8.370 nan 0.000 0.479 92 T N -0.459 114.106 114.554 0.019 0.000 2.777 92 T HA -0.165 4.187 4.350 0.005 0.000 0.266 92 T C 1.791 176.501 174.700 0.017 0.000 1.040 92 T CA 0.925 63.038 62.100 0.021 0.000 1.141 92 T CB 0.137 69.022 68.868 0.028 0.000 0.868 92 T HN 0.338 nan 8.240 nan 0.000 0.444 93 E N 1.032 121.241 120.200 0.016 0.000 2.028 93 E HA -0.122 4.230 4.350 0.005 0.000 0.191 93 E C 2.284 178.889 176.600 0.008 0.000 0.988 93 E CA 1.254 57.661 56.400 0.012 0.000 0.799 93 E CB -0.230 29.477 29.700 0.012 0.000 0.755 93 E HN 0.688 nan 8.360 nan 0.000 0.447 94 I N -1.722 118.852 120.570 0.007 0.000 2.493 94 I HA -0.140 4.033 4.170 0.005 0.000 0.254 94 I C 2.300 178.419 176.117 0.003 0.000 1.160 94 I CA 0.965 62.267 61.300 0.004 0.000 1.445 94 I CB -0.228 37.775 38.000 0.004 0.000 1.086 94 I HN -0.078 nan 8.210 nan 0.000 0.433 95 R N 1.292 121.794 120.500 0.005 0.000 2.161 95 R HA 0.170 4.513 4.340 0.005 0.000 0.213 95 R C 2.483 178.784 176.300 0.001 0.000 1.055 95 R CA 1.031 57.132 56.100 0.003 0.000 0.996 95 R CB -0.196 30.107 30.300 0.005 0.000 0.901 95 R HN 0.507 nan 8.270 nan 0.000 0.456 96 A N 0.537 123.360 122.820 0.004 0.000 1.930 96 A HA -0.041 4.282 4.320 0.005 0.000 0.215 96 A C 2.201 179.784 177.584 -0.002 0.000 1.176 96 A CA 0.830 52.869 52.037 0.002 0.000 0.632 96 A CB -0.194 18.810 19.000 0.007 0.000 0.819 96 A HN 0.070 nan 8.150 nan 0.000 0.445 97 V N -0.044 119.869 119.914 -0.002 0.000 2.358 97 V HA -0.213 3.910 4.120 0.005 0.000 0.246 97 V C 3.029 179.119 176.094 -0.006 0.000 1.047 97 V CA 1.829 64.126 62.300 -0.005 0.000 1.035 97 V CB -1.143 30.678 31.823 -0.003 0.000 0.658 97 V HN 0.576 nan 8.190 nan 0.000 0.452 98 A N -0.040 122.777 122.820 -0.005 0.000 1.972 98 A HA -0.063 4.260 4.320 0.005 0.000 0.219 98 A C 2.325 179.903 177.584 -0.009 0.000 1.169 98 A CA 1.867 53.900 52.037 -0.007 0.000 0.635 98 A CB -0.579 18.418 19.000 -0.005 0.000 0.810 98 A HN 0.572 nan 8.150 nan 0.000 0.446 99 A N -1.778 121.037 122.820 -0.010 0.000 2.066 99 A HA 0.386 4.709 4.320 0.005 0.000 0.218 99 A C 1.691 179.266 177.584 -0.016 0.000 1.157 99 A CA 1.421 53.450 52.037 -0.013 0.000 0.670 99 A CB -0.663 18.330 19.000 -0.012 0.000 0.804 99 A HN 1.906 nan 8.150 nan 0.000 0.453 100 G N -2.457 106.335 108.800 -0.014 0.000 2.237 100 G HA2 0.352 4.315 3.960 0.005 0.000 0.153 100 G HA3 0.352 4.315 3.960 0.005 0.000 0.153 100 G C -0.079 174.811 174.900 -0.017 0.000 1.039 100 G CA -0.001 45.089 45.100 -0.016 0.000 0.719 100 G HN 1.551 nan 8.290 nan 0.000 0.491 101 A N -0.191 122.620 122.820 -0.014 0.000 2.386 101 A HA 0.888 5.211 4.320 0.005 0.000 0.311 101 A C 0.163 177.740 177.584 -0.012 0.000 1.068 101 A CA -0.576 51.452 52.037 -0.015 0.000 0.743 101 A CB 1.210 20.203 19.000 -0.012 0.000 1.258 101 A HN 0.653 nan 8.150 nan 0.000 0.429 102 R N 1.601 122.092 120.500 -0.015 0.000 2.316 102 R HA 0.439 4.782 4.340 0.005 0.000 0.314 102 R C -1.125 175.169 176.300 -0.010 0.000 1.069 102 R CA -0.073 56.018 56.100 -0.014 0.000 0.959 102 R CB 0.376 30.665 30.300 -0.019 0.000 0.987 102 R HN 0.473 nan 8.270 nan 0.000 0.446 103 V N 6.067 125.978 119.914 -0.005 0.000 2.364 103 V HA 0.238 4.361 4.120 0.005 0.000 0.272 103 V C -0.229 175.864 176.094 -0.001 0.000 1.036 103 V CA -0.571 61.729 62.300 0.000 0.000 0.880 103 V CB 1.499 33.325 31.823 0.004 0.000 0.991 103 V HN 0.475 nan 8.190 nan 0.000 0.460 104 V N 4.865 124.779 119.914 -0.000 0.000 2.409 104 V HA 0.454 4.577 4.120 0.005 0.000 0.291 104 V C 0.435 176.532 176.094 0.006 0.000 1.020 104 V CA -0.435 61.863 62.300 -0.003 0.000 0.848 104 V CB 1.968 33.783 31.823 -0.013 0.000 0.990 104 V HN 0.991 nan 8.190 nan 0.000 0.430 105 S N 5.041 120.745 115.700 0.006 0.000 2.645 105 S HA 0.379 4.852 4.470 0.005 0.000 0.266 105 S C 1.058 175.666 174.600 0.013 0.000 1.258 105 S CA -0.560 57.648 58.200 0.014 0.000 0.990 105 S CB 1.045 64.253 63.200 0.014 0.000 0.967 105 S HN 0.634 nan 8.310 nan 0.000 0.556 106 R N 0.596 121.111 120.500 0.024 0.000 2.105 106 R HA -0.110 4.233 4.340 0.005 0.000 0.239 106 R C 2.058 178.371 176.300 0.022 0.000 1.135 106 R CA 1.875 57.993 56.100 0.030 0.000 0.967 106 R CB -0.490 29.839 30.300 0.047 0.000 0.861 106 R HN 0.712 nan 8.270 nan 0.000 0.442 107 E N 0.780 120.992 120.200 0.019 0.000 2.051 107 E HA -0.194 4.159 4.350 0.005 0.000 0.192 107 E C 1.982 178.583 176.600 0.002 0.000 0.991 107 E CA 1.312 57.720 56.400 0.014 0.000 0.799 107 E CB -0.057 29.651 29.700 0.014 0.000 0.748 107 E HN 0.370 nan 8.360 nan 0.000 0.449 108 Q N -0.294 119.504 119.800 -0.003 0.000 2.230 108 Q HA 0.062 4.405 4.340 0.005 0.000 0.202 108 Q C 2.098 178.083 176.000 -0.025 0.000 0.963 108 Q CA 1.016 56.812 55.803 -0.012 0.000 0.866 108 Q CB -0.028 28.704 28.738 -0.010 0.000 0.931 108 Q HN 0.295 nan 8.270 nan 0.000 0.452 109 A N 0.276 123.078 122.820 -0.029 0.000 1.898 109 A HA -0.030 4.293 4.320 0.005 0.000 0.216 109 A C 0.952 178.486 177.584 -0.084 0.000 1.181 109 A CA 0.870 52.873 52.037 -0.057 0.000 0.620 109 A CB 0.248 19.215 19.000 -0.056 0.000 0.819 109 A HN 0.286 nan 8.150 nan 0.000 0.442 110 L N -0.885 120.300 121.223 -0.063 0.000 2.490 110 L HA 0.404 4.747 4.340 0.005 0.000 0.261 110 L C -2.498 174.360 176.870 -0.019 0.000 1.232 110 L CA -1.206 53.592 54.840 -0.070 0.000 0.892 110 L CB 1.664 43.645 42.059 -0.129 0.000 1.085 110 L HN -0.073 nan 8.230 nan 0.000 0.491 111 P HA -0.116 nan 4.420 nan 0.000 0.218 111 P C 0.787 178.094 177.300 0.011 0.000 1.149 111 P CA 1.038 64.138 63.100 0.000 0.000 0.817 111 P CB 0.225 31.922 31.700 -0.005 0.000 0.785 112 E N -0.580 119.625 120.200 0.009 0.000 2.489 112 E HA 0.049 4.402 4.350 0.005 0.000 0.193 112 E C -0.126 176.497 176.600 0.039 0.000 1.057 112 E CA 0.311 56.722 56.400 0.018 0.000 0.866 112 E CB -0.177 29.529 29.700 0.011 0.000 0.916 112 E HN 0.075 nan 8.360 nan 0.000 0.500 113 V N 2.759 122.707 119.914 0.056 0.000 2.483 113 V HA 0.287 4.410 4.120 0.005 0.000 0.297 113 V C -2.339 173.806 176.094 0.085 0.000 1.027 113 V CA -2.085 60.271 62.300 0.093 0.000 0.855 113 V CB 1.782 33.712 31.823 0.177 0.000 0.995 113 V HN -0.004 nan 8.190 nan 0.000 0.424 114 P HA 0.204 nan 4.420 nan 0.000 0.268 114 P C -0.491 176.849 177.300 0.066 0.000 1.208 114 P CA 0.054 63.186 63.100 0.053 0.000 0.777 114 P CB 0.489 32.211 31.700 0.038 0.000 0.875 115 I N 2.487 123.089 120.570 0.054 0.000 2.395 115 I HA 0.272 4.445 4.170 0.005 0.000 0.289 115 I C 1.042 177.184 176.117 0.041 0.000 1.023 115 I CA -0.238 61.097 61.300 0.059 0.000 1.350 115 I CB 0.652 38.683 38.000 0.051 0.000 1.409 115 I HN 0.145 nan 8.210 nan 0.000 0.507 116 R N 6.605 127.128 120.500 0.039 0.000 2.604 116 R HA 0.500 4.843 4.340 0.005 0.000 0.287 116 R C -2.380 173.931 176.300 0.018 0.000 0.970 116 R CA -1.649 54.460 56.100 0.016 0.000 0.946 116 R CB 1.119 31.414 30.300 -0.009 0.000 1.127 116 R HN 0.371 nan 8.270 nan 0.000 0.473 117 P HA 0.259 nan 4.420 nan 0.000 0.274 117 P C -0.146 177.140 177.300 -0.023 0.000 1.237 117 P CA -0.010 63.092 63.100 0.004 0.000 0.793 117 P CB 0.963 32.669 31.700 0.010 0.000 0.977 118 G N 0.236 109.008 108.800 -0.047 0.000 2.459 118 G HA2 -0.130 3.833 3.960 0.005 0.000 0.685 118 G HA3 -0.130 3.833 3.960 0.005 0.000 0.685 118 G C 0.317 175.160 174.900 -0.095 0.000 1.303 118 G CA -0.088 44.938 45.100 -0.123 0.000 0.907 118 G HN 0.581 nan 8.290 nan 0.000 0.632 119 K N -0.183 120.111 120.400 -0.177 0.000 2.057 119 K HA -0.016 4.307 4.320 0.005 0.000 0.206 119 K C 2.679 179.298 176.600 0.032 0.000 1.050 119 K CA 2.070 58.318 56.287 -0.065 0.000 0.935 119 K CB -0.687 31.762 32.500 -0.085 0.000 0.715 119 K HN 0.823 nan 8.250 nan 0.000 0.439 120 G N 1.123 109.937 108.800 0.023 0.000 2.469 120 G HA2 -0.335 3.628 3.960 0.005 0.000 0.219 120 G HA3 -0.335 3.628 3.960 0.005 0.000 0.219 120 G C 1.338 176.369 174.900 0.220 0.000 1.150 120 G CA 1.295 46.474 45.100 0.132 0.000 0.763 120 G HN 0.446 nan 8.290 nan 0.000 0.561 121 E N 0.803 121.082 120.200 0.132 0.000 2.085 121 E HA -0.007 4.346 4.350 0.005 0.000 0.194 121 E C 2.688 179.423 176.600 0.225 0.000 0.994 121 E CA 1.545 58.054 56.400 0.181 0.000 0.801 121 E CB -0.496 29.267 29.700 0.105 0.000 0.743 121 E HN 0.317 nan 8.360 nan 0.000 0.453 122 A N 0.421 123.333 122.820 0.153 0.000 1.877 122 A HA -0.136 4.187 4.320 0.005 0.000 0.216 122 A C 2.046 179.721 177.584 0.152 0.000 1.186 122 A CA 1.422 53.537 52.037 0.130 0.000 0.620 122 A CB -0.630 18.431 19.000 0.102 0.000 0.822 122 A HN 0.326 nan 8.150 nan 0.000 0.443 123 L N -2.262 119.078 121.223 0.195 0.000 2.093 123 L HA -0.143 4.200 4.340 0.005 0.000 0.208 123 L C 2.225 179.166 176.870 0.119 0.000 1.085 123 L CA 1.408 56.384 54.840 0.227 0.000 0.755 123 L CB -1.835 40.335 42.059 0.186 0.000 0.904 123 L HN 0.782 nan 8.230 nan 0.000 0.435 124 W N 1.441 122.621 121.300 -0.200 0.000 2.335 124 W HA -0.207 4.455 4.660 0.004 0.000 0.311 124 W C 2.831 179.165 176.519 -0.308 0.000 1.213 124 W CA 1.647 58.611 57.345 -0.635 0.000 1.274 124 W CB -0.209 29.004 29.460 -0.411 0.000 1.148 124 W HN 0.019 nan 8.180 nan 0.000 0.498 125 R N 0.134 120.565 120.500 -0.116 0.000 2.148 125 R HA -0.132 4.211 4.340 0.005 0.000 0.227 125 R C 2.539 178.719 176.300 -0.200 0.000 1.103 125 R CA 1.679 57.636 56.100 -0.239 0.000 0.983 125 R CB -0.715 29.567 30.300 -0.030 0.000 0.874 125 R HN 0.298 nan 8.270 nan 0.000 0.451 126 S N 0.739 116.391 115.700 -0.079 0.000 2.447 126 S HA -0.066 4.407 4.470 0.005 0.000 0.233 126 S C 1.944 176.500 174.600 -0.074 0.000 1.006 126 S CA 0.743 58.929 58.200 -0.023 0.000 0.957 126 S CB -0.295 62.973 63.200 0.114 0.000 0.773 126 S HN 0.237 nan 8.310 nan 0.000 0.507 127 L N 0.932 122.062 121.223 -0.156 0.000 2.093 127 L HA 0.025 4.368 4.340 0.005 0.000 0.208 127 L C 3.127 179.871 176.870 -0.209 0.000 1.085 127 L CA 1.196 55.931 54.840 -0.176 0.000 0.755 127 L CB -0.763 41.130 42.059 -0.277 0.000 0.904 127 L HN 0.484 nan 8.230 nan 0.000 0.435 128 A N -0.225 122.421 122.820 -0.290 0.000 2.016 128 A HA 0.079 4.402 4.320 0.005 0.000 0.217 128 A C 2.411 179.902 177.584 -0.155 0.000 1.162 128 A CA 1.276 53.167 52.037 -0.243 0.000 0.662 128 A CB -0.363 18.447 19.000 -0.317 0.000 0.812 128 A HN 0.362 nan 8.150 nan 0.000 0.450 129 A N -0.009 122.732 122.820 -0.132 0.000 2.081 129 A HA 0.299 4.622 4.320 0.005 0.000 0.214 129 A C 1.561 179.099 177.584 -0.075 0.000 1.158 129 A CA 0.931 52.915 52.037 -0.088 0.000 0.724 129 A CB -0.477 18.482 19.000 -0.068 0.000 0.826 129 A HN 0.691 nan 8.150 nan 0.000 0.463 130 S N -1.642 114.008 115.700 -0.083 0.000 2.693 130 S HA 0.578 5.050 4.470 0.005 0.000 0.276 130 S C 0.623 175.180 174.600 -0.072 0.000 1.192 130 S CA -0.466 57.688 58.200 -0.078 0.000 0.994 130 S CB 1.807 64.953 63.200 -0.090 0.000 1.012 130 S HN 0.367 nan 8.310 nan 0.000 0.550 131 R N 0.189 120.649 120.500 -0.066 0.000 2.383 131 R HA 0.226 4.569 4.340 0.005 0.000 0.205 131 R C 0.996 177.266 176.300 -0.050 0.000 0.875 131 R CA 0.410 56.478 56.100 -0.054 0.000 1.039 131 R CB -0.250 30.021 30.300 -0.048 0.000 1.267 131 R HN 0.835 nan 8.270 nan 0.000 0.635 132 G N 1.064 109.829 108.800 -0.059 0.000 2.484 132 G HA2 -0.057 3.906 3.960 0.005 0.000 0.235 132 G HA3 -0.057 3.906 3.960 0.005 0.000 0.235 132 G C 0.088 174.963 174.900 -0.041 0.000 1.282 132 G CA -0.289 44.778 45.100 -0.055 0.000 0.857 132 G HN 0.235 nan 8.290 nan 0.000 0.571 133 D N 0.499 120.881 120.400 -0.030 0.000 2.264 133 D HA -0.055 4.588 4.640 0.005 0.000 0.208 133 D C 0.873 177.170 176.300 -0.006 0.000 0.966 133 D CA 1.124 55.117 54.000 -0.012 0.000 0.864 133 D CB 0.432 41.225 40.800 -0.010 0.000 0.933 133 D HN 0.267 nan 8.370 nan 0.000 0.499 134 I N 1.062 121.615 120.570 -0.029 0.000 2.418 134 I HA 0.148 4.321 4.170 0.005 0.000 0.287 134 I C -0.690 175.378 176.117 -0.082 0.000 1.008 134 I CA -0.700 60.581 61.300 -0.032 0.000 1.104 134 I CB 2.706 40.685 38.000 -0.036 0.000 1.264 134 I HN -0.396 nan 8.210 nan 0.000 0.438 135 V N 6.995 126.845 119.914 -0.107 0.000 2.417 135 V HA 0.420 4.543 4.120 0.005 0.000 0.291 135 V C -0.097 175.749 176.094 -0.412 0.000 1.024 135 V CA -0.745 61.379 62.300 -0.294 0.000 0.861 135 V CB 1.799 33.405 31.823 -0.361 0.000 0.985 135 V HN 0.379 nan 8.190 nan 0.000 0.436 136 V N 5.157 124.801 119.914 -0.451 0.000 2.398 136 V HA 0.512 4.635 4.120 0.005 0.000 0.286 136 V C -0.624 175.158 176.094 -0.520 0.000 1.026 136 V CA -0.451 61.642 62.300 -0.346 0.000 0.868 136 V CB 1.196 32.931 31.823 -0.147 0.000 0.982 136 V HN 0.647 nan 8.190 nan 0.000 0.443 137 F N 3.647 123.461 119.950 -0.227 0.000 2.427 137 F HA 0.708 5.238 4.527 0.004 0.000 0.346 137 F C 0.060 175.742 175.800 -0.197 0.000 1.120 137 F CA -0.732 57.088 58.000 -0.300 0.000 1.033 137 F CB 1.863 40.454 39.000 -0.681 0.000 1.126 137 F HN 0.176 nan 8.300 nan 0.000 0.462 138 V N 2.940 122.912 119.914 0.096 0.000 2.686 138 V HA 0.261 4.384 4.120 0.005 0.000 0.306 138 V C -0.689 175.480 176.094 0.124 0.000 1.065 138 V CA -1.089 61.282 62.300 0.119 0.000 0.894 138 V CB 1.981 33.881 31.823 0.129 0.000 1.004 138 V HN 0.536 nan 8.190 nan 0.000 0.424 139 D N 2.292 122.769 120.400 0.129 0.000 2.414 139 D HA 0.113 4.755 4.640 0.005 0.000 0.242 139 D C 1.173 177.536 176.300 0.105 0.000 1.129 139 D CA 0.333 54.404 54.000 0.118 0.000 0.885 139 D CB 1.633 42.495 40.800 0.102 0.000 1.198 139 D HN 0.719 nan 8.370 nan 0.000 0.437 140 S N 0.249 116.007 115.700 0.097 0.000 2.593 140 S HA -0.092 4.380 4.470 0.005 0.000 0.217 140 S C 0.728 175.374 174.600 0.077 0.000 0.966 140 S CA -0.155 58.092 58.200 0.077 0.000 0.914 140 S CB 0.044 63.285 63.200 0.069 0.000 0.776 140 S HN 0.460 nan 8.310 nan 0.000 0.523 141 D N 1.055 121.515 120.400 0.099 0.000 2.368 141 D HA 0.154 4.797 4.640 0.005 0.000 0.218 141 D C 0.246 176.619 176.300 0.120 0.000 1.112 141 D CA -0.438 53.626 54.000 0.107 0.000 0.834 141 D CB -0.483 40.398 40.800 0.136 0.000 0.953 141 D HN 0.368 nan 8.370 nan 0.000 0.505 142 L N 0.939 122.227 121.223 0.107 0.000 2.455 142 L HA 0.210 4.553 4.340 0.005 0.000 0.272 142 L C 0.481 177.383 176.870 0.054 0.000 1.174 142 L CA -0.252 54.651 54.840 0.104 0.000 0.869 142 L CB 0.809 42.924 42.059 0.094 0.000 1.130 142 L HN -0.100 nan 8.230 nan 0.000 0.474 143 I N 4.908 125.510 120.570 0.053 0.000 2.301 143 I HA 0.098 4.271 4.170 0.005 0.000 0.292 143 I C -0.059 176.054 176.117 -0.007 0.000 1.046 143 I CA -0.336 60.974 61.300 0.018 0.000 1.282 143 I CB 0.272 38.282 38.000 0.018 0.000 1.409 143 I HN 0.646 nan 8.210 nan 0.000 0.484 144 N N 5.142 123.821 118.700 -0.036 0.000 2.608 144 N HA -0.119 4.624 4.740 0.005 0.000 0.273 144 N C -2.313 173.114 175.510 -0.137 0.000 1.133 144 N CA 0.199 53.206 53.050 -0.072 0.000 0.726 144 N CB -0.953 37.508 38.487 -0.044 0.000 0.890 144 N HN 0.420 nan 8.380 nan 0.000 0.548 145 P HA 0.054 nan 4.420 nan 0.000 0.278 145 P C 0.047 176.984 177.300 -0.604 0.000 1.238 145 P CA 0.012 62.776 63.100 -0.560 0.000 0.794 145 P CB 0.746 32.126 31.700 -0.533 0.000 0.955 146 H N 3.667 122.159 119.070 -0.963 0.000 2.803 146 H HA 0.068 4.627 4.556 0.004 0.000 0.330 146 H C -1.460 173.628 175.328 -0.400 0.000 1.057 146 H CA -1.184 54.595 56.048 -0.447 0.000 1.458 146 H CB 0.813 30.554 29.762 -0.036 0.000 1.470 146 H HN 0.193 nan 8.280 nan 0.000 0.560 147 P HA -0.130 nan 4.420 nan 0.000 0.221 147 P C 1.275 178.498 177.300 -0.128 0.000 1.145 147 P CA 1.064 64.021 63.100 -0.239 0.000 0.795 147 P CB 0.235 31.768 31.700 -0.278 0.000 0.775 148 M N -3.024 116.534 119.600 -0.070 0.000 2.563 148 M HA 0.088 4.571 4.480 0.005 0.000 0.231 148 M C 1.042 177.080 176.300 -0.437 0.000 1.136 148 M CA 0.307 55.307 55.300 -0.501 0.000 1.026 148 M CB -0.950 30.927 32.600 -1.205 0.000 1.597 148 M HN -0.085 nan 8.290 nan 0.000 0.495 149 F N 0.615 120.469 119.950 -0.160 0.000 2.069 149 F HA -0.201 4.328 4.527 0.004 0.000 0.298 149 F C 2.447 178.314 175.800 0.112 0.000 1.113 149 F CA 1.389 59.464 58.000 0.125 0.000 1.214 149 F CB -1.225 37.858 39.000 0.137 0.000 0.978 149 F HN -0.073 nan 8.300 nan 0.000 0.474 150 V N 0.509 120.549 119.914 0.210 0.000 2.270 150 V HA -0.206 3.917 4.120 0.005 0.000 0.245 150 V C -0.323 175.812 176.094 0.068 0.000 1.043 150 V CA 2.010 64.374 62.300 0.106 0.000 1.014 150 V CB -1.825 30.021 31.823 0.040 0.000 0.645 150 V HN 0.149 nan 8.190 nan 0.000 0.447 151 P HA -0.171 nan 4.420 nan 0.000 0.216 151 P C 1.435 178.861 177.300 0.210 0.000 1.153 151 P CA 1.600 64.691 63.100 -0.016 0.000 0.858 151 P CB -0.134 31.547 31.700 -0.032 0.000 0.789 152 W N -0.743 120.738 121.300 0.302 0.000 2.388 152 W HA 0.006 4.669 4.660 0.004 0.000 0.294 152 W C 2.164 178.790 176.519 0.178 0.000 1.212 152 W CA 0.719 58.245 57.345 0.303 0.000 1.271 152 W CB -1.449 28.119 29.460 0.181 0.000 1.126 152 W HN -0.015 nan 8.180 nan 0.000 0.535 153 L N 0.111 121.531 121.223 0.327 0.000 2.072 153 L HA -0.173 4.170 4.340 0.005 0.000 0.205 153 L C 2.369 179.324 176.870 0.143 0.000 1.079 153 L CA 1.299 56.261 54.840 0.203 0.000 0.752 153 L CB -1.160 40.992 42.059 0.156 0.000 0.906 153 L HN -0.175 nan 8.230 nan 0.000 0.436 154 V N -3.342 116.625 119.914 0.088 0.000 3.041 154 V HA 0.097 4.220 4.120 0.005 0.000 0.260 154 V C 2.296 178.387 176.094 -0.006 0.000 1.105 154 V CA 1.052 63.360 62.300 0.013 0.000 1.125 154 V CB -1.420 30.371 31.823 -0.053 0.000 0.730 154 V HN 0.351 nan 8.190 nan 0.000 0.479 155 G N 1.694 110.527 108.800 0.055 0.000 2.631 155 G HA2 -0.235 3.728 3.960 0.005 0.000 0.219 155 G HA3 -0.235 3.728 3.960 0.005 0.000 0.219 155 G C -0.000 174.962 174.900 0.104 0.000 1.214 155 G CA 1.648 46.803 45.100 0.092 0.000 0.785 155 G HN 0.621 nan 8.290 nan 0.000 0.596 156 P HA 0.035 nan 4.420 nan 0.000 0.220 156 P C 1.966 179.283 177.300 0.029 0.000 1.148 156 P CA 0.600 63.755 63.100 0.091 0.000 0.803 156 P CB -0.070 31.684 31.700 0.090 0.000 0.782 157 L N -1.603 119.627 121.223 0.011 0.000 2.072 157 L HA -0.083 4.260 4.340 0.005 0.000 0.205 157 L C 2.337 179.175 176.870 -0.052 0.000 1.079 157 L CA 1.165 55.985 54.840 -0.032 0.000 0.752 157 L CB -0.833 41.214 42.059 -0.020 0.000 0.906 157 L HN -0.067 nan 8.230 nan 0.000 0.436 158 L N -0.934 120.255 121.223 -0.056 0.000 2.240 158 L HA -0.038 4.305 4.340 0.005 0.000 0.211 158 L C 0.716 177.555 176.870 -0.052 0.000 1.106 158 L CA 0.479 55.274 54.840 -0.075 0.000 0.793 158 L CB -0.470 41.513 42.059 -0.127 0.000 0.927 158 L HN 0.136 nan 8.230 nan 0.000 0.446 159 T N 1.478 116.019 114.554 -0.022 0.000 3.185 159 T HA 0.236 4.589 4.350 0.005 0.000 0.287 159 T C 0.784 175.484 174.700 0.001 0.000 1.051 159 T CA -0.340 61.768 62.100 0.013 0.000 1.051 159 T CB 0.288 69.198 68.868 0.069 0.000 1.034 159 T HN 0.297 nan 8.240 nan 0.000 0.685 160 G N 2.902 111.694 108.800 -0.014 0.000 2.272 160 G HA2 0.236 4.199 3.960 0.005 0.000 0.274 160 G HA3 0.236 4.199 3.960 0.005 0.000 0.274 160 G C 0.555 175.447 174.900 -0.014 0.000 1.136 160 G CA -0.570 44.514 45.100 -0.027 0.000 1.098 160 G HN 0.795 nan 8.290 nan 0.000 0.425 161 D N 0.898 121.284 120.400 -0.023 0.000 2.615 161 D HA 0.169 4.812 4.640 0.005 0.000 0.274 161 D C 1.142 177.435 176.300 -0.012 0.000 1.512 161 D CA 0.238 54.233 54.000 -0.007 0.000 0.803 161 D CB -0.172 40.632 40.800 0.007 0.000 1.182 161 D HN 1.051 nan 8.370 nan 0.000 0.473 162 G N 0.223 108.999 108.800 -0.039 0.000 2.130 162 G HA2 -0.207 3.756 3.960 0.005 0.000 0.216 162 G HA3 -0.207 3.756 3.960 0.005 0.000 0.216 162 G C -0.055 174.835 174.900 -0.017 0.000 0.999 162 G CA 0.074 45.167 45.100 -0.012 0.000 0.686 162 G HN 0.352 nan 8.290 nan 0.000 0.515 163 V N 1.287 121.135 119.914 -0.110 0.000 2.432 163 V HA 0.478 4.601 4.120 0.005 0.000 0.275 163 V C 1.109 177.079 176.094 -0.207 0.000 1.043 163 V CA -0.381 61.879 62.300 -0.067 0.000 0.925 163 V CB 1.370 33.175 31.823 -0.029 0.000 0.985 163 V HN 0.404 nan 8.190 nan 0.000 0.466 164 H N 3.717 122.809 119.070 0.037 0.000 3.255 164 H HA 0.334 4.893 4.556 0.005 0.000 0.256 164 H C -0.314 175.061 175.328 0.079 0.000 1.049 164 H CA -0.005 56.075 56.048 0.053 0.000 1.202 164 H CB 1.712 31.501 29.762 0.046 0.000 1.497 164 H HN 0.392 nan 8.280 nan 0.000 0.503 165 L N 1.538 122.865 121.223 0.173 0.000 2.438 165 L HA 0.416 4.759 4.340 0.005 0.000 0.270 165 L C -1.362 175.582 176.870 0.124 0.000 0.972 165 L CA -0.736 54.199 54.840 0.158 0.000 0.831 165 L CB 2.047 44.186 42.059 0.133 0.000 1.273 165 L HN -0.260 nan 8.230 nan 0.000 0.405 166 V N 5.653 125.662 119.914 0.158 0.000 2.326 166 V HA 0.517 4.640 4.120 0.005 0.000 0.281 166 V C 0.081 176.288 176.094 0.188 0.000 1.015 166 V CA -0.797 61.590 62.300 0.145 0.000 0.823 166 V CB 1.005 32.913 31.823 0.141 0.000 1.009 166 V HN 0.645 nan 8.190 nan 0.000 0.436 167 K N 2.493 122.974 120.400 0.136 0.000 2.098 167 K HA 0.655 4.978 4.320 0.005 0.000 0.244 167 K C 0.303 177.001 176.600 0.163 0.000 1.014 167 K CA -0.203 56.168 56.287 0.140 0.000 0.917 167 K CB 1.847 34.378 32.500 0.050 0.000 1.072 167 K HN 0.764 nan 8.250 nan 0.000 0.477 168 S N 0.090 115.892 115.700 0.170 0.000 2.542 168 S HA 0.774 5.247 4.470 0.005 0.000 0.293 168 S C -0.623 174.034 174.600 0.094 0.000 1.089 168 S CA -0.920 57.361 58.200 0.134 0.000 0.961 168 S CB 0.853 64.135 63.200 0.138 0.000 1.062 168 S HN 0.460 nan 8.310 nan 0.000 0.483 169 F N -0.025 119.864 119.950 -0.100 0.000 2.577 169 F HA 0.950 5.479 4.527 0.004 0.000 0.318 169 F C -0.920 174.759 175.800 -0.201 0.000 1.065 169 F CA -1.377 56.413 58.000 -0.350 0.000 0.929 169 F CB 0.769 39.659 39.000 -0.183 0.000 1.237 169 F HN 0.844 nan 8.300 nan 0.000 0.468 170 Y N -0.588 119.790 120.300 0.131 0.000 2.871 170 Y HA 0.788 5.340 4.550 0.004 0.000 0.331 170 Y C -1.426 174.542 175.900 0.114 0.000 1.378 170 Y CA -2.058 56.063 58.100 0.035 0.000 1.079 170 Y CB 1.185 39.651 38.460 0.011 0.000 1.441 170 Y HN 0.885 nan 8.280 nan 0.000 0.446 171 R N -0.541 120.177 120.500 0.363 0.000 2.740 171 R HA 0.920 5.263 4.340 0.005 0.000 0.273 171 R C -1.118 175.324 176.300 0.237 0.000 0.998 171 R CA -1.085 55.174 56.100 0.266 0.000 0.900 171 R CB 1.415 31.809 30.300 0.157 0.000 1.223 171 R HN 1.088 nan 8.270 nan 0.000 0.466 172 R N 2.053 122.671 120.500 0.197 0.000 2.438 172 R HA 0.355 4.698 4.340 0.005 0.000 0.287 172 R C -1.946 174.418 176.300 0.106 0.000 1.077 172 R CA -1.288 54.901 56.100 0.150 0.000 1.034 172 R CB -0.944 29.436 30.300 0.133 0.000 0.993 172 R HN 0.687 nan 8.270 nan 0.000 0.459 190 R N 0.697 121.212 120.500 0.026 0.000 2.115 190 R HA -0.094 4.249 4.340 0.005 0.000 0.239 190 R C 2.484 178.779 176.300 -0.008 0.000 1.133 190 R CA 2.197 58.301 56.100 0.006 0.000 0.935 190 R CB -0.723 29.576 30.300 -0.001 0.000 0.853 190 R HN 0.284 nan 8.270 nan 0.000 0.433 191 V N 0.461 120.363 119.914 -0.021 0.000 2.515 191 V HA -0.215 3.908 4.120 0.005 0.000 0.250 191 V C 2.163 178.240 176.094 -0.028 0.000 1.058 191 V CA 2.128 64.405 62.300 -0.037 0.000 1.064 191 V CB -0.606 31.176 31.823 -0.068 0.000 0.675 191 V HN 0.450 nan 8.190 nan 0.000 0.461 192 T N -0.298 114.248 114.554 -0.014 0.000 2.708 192 T HA -0.149 4.204 4.350 0.005 0.000 0.266 192 T C 1.861 176.551 174.700 -0.018 0.000 1.037 192 T CA 1.448 63.540 62.100 -0.013 0.000 1.146 192 T CB -0.198 68.674 68.868 0.006 0.000 0.865 192 T HN 0.456 nan 8.240 nan 0.000 0.435 193 E N 0.741 120.937 120.200 -0.008 0.000 2.230 193 E HA 0.125 4.478 4.350 0.005 0.000 0.192 193 E C 2.107 178.699 176.600 -0.014 0.000 0.987 193 E CA 0.571 56.965 56.400 -0.010 0.000 0.841 193 E CB -0.023 29.677 29.700 0.001 0.000 0.783 193 E HN 0.469 nan 8.360 nan 0.000 0.481 194 L N -0.511 120.704 121.223 -0.014 0.000 2.470 194 L HA 0.087 4.430 4.340 0.005 0.000 0.219 194 L C 1.959 178.817 176.870 -0.020 0.000 1.071 194 L CA 0.175 55.006 54.840 -0.014 0.000 0.850 194 L CB 0.313 42.366 42.059 -0.010 0.000 1.040 194 L HN -0.089 nan 8.230 nan 0.000 0.475 195 V N -0.579 119.320 119.914 -0.025 0.000 2.939 195 V HA 0.199 4.322 4.120 0.005 0.000 0.228 195 V C 2.457 178.531 176.094 -0.035 0.000 1.162 195 V CA 1.091 63.373 62.300 -0.029 0.000 1.222 195 V CB -0.353 31.450 31.823 -0.033 0.000 1.053 195 V HN 0.224 nan 8.190 nan 0.000 0.504 196 A N 0.553 123.350 122.820 -0.039 0.000 1.865 196 A HA -0.222 4.101 4.320 0.005 0.000 0.217 196 A C 2.313 179.865 177.584 -0.054 0.000 1.191 196 A CA 2.168 54.177 52.037 -0.047 0.000 0.623 196 A CB -0.537 18.434 19.000 -0.049 0.000 0.826 196 A HN 0.487 nan 8.150 nan 0.000 0.444 197 R N -0.708 119.763 120.500 -0.050 0.000 2.073 197 R HA -0.050 4.293 4.340 0.005 0.000 0.229 197 R C -0.574 175.695 176.300 -0.052 0.000 1.120 197 R CA 1.417 57.484 56.100 -0.055 0.000 0.967 197 R CB -1.386 28.884 30.300 -0.049 0.000 0.862 197 R HN 0.403 nan 8.270 nan 0.000 0.436 198 P HA -0.120 nan 4.420 nan 0.000 0.217 198 P C 1.175 178.452 177.300 -0.039 0.000 1.150 198 P CA 1.158 64.237 63.100 -0.036 0.000 0.832 198 P CB 0.033 31.717 31.700 -0.027 0.000 0.787 199 L N -1.652 119.547 121.223 -0.041 0.000 2.156 199 L HA -0.091 4.252 4.340 0.005 0.000 0.208 199 L C 2.376 179.214 176.870 -0.053 0.000 1.095 199 L CA 0.944 55.760 54.840 -0.041 0.000 0.770 199 L CB -0.636 41.400 42.059 -0.038 0.000 0.914 199 L HN -0.042 nan 8.230 nan 0.000 0.439 200 L N -0.727 120.456 121.223 -0.067 0.000 2.093 200 L HA -0.161 4.182 4.340 0.005 0.000 0.208 200 L C 2.828 179.642 176.870 -0.094 0.000 1.085 200 L CA 1.020 55.804 54.840 -0.092 0.000 0.755 200 L CB -0.599 41.391 42.059 -0.115 0.000 0.904 200 L HN 0.234 nan 8.230 nan 0.000 0.435 201 A N -0.009 122.765 122.820 -0.077 0.000 1.940 201 A HA -0.194 4.129 4.320 0.005 0.000 0.219 201 A C 2.465 180.017 177.584 -0.054 0.000 1.176 201 A CA 1.842 53.839 52.037 -0.067 0.000 0.631 201 A CB -0.580 18.389 19.000 -0.052 0.000 0.814 201 A HN 0.425 nan 8.150 nan 0.000 0.446 202 A N -0.963 121.829 122.820 -0.046 0.000 1.898 202 A HA 0.208 4.530 4.320 0.005 0.000 0.214 202 A C 2.067 179.631 177.584 -0.033 0.000 1.183 202 A CA 1.404 53.420 52.037 -0.034 0.000 0.622 202 A CB -0.290 18.694 19.000 -0.028 0.000 0.824 202 A HN 0.448 nan 8.150 nan 0.000 0.444 203 L N -2.396 118.804 121.223 -0.040 0.000 2.467 203 L HA 0.238 4.581 4.340 0.005 0.000 0.213 203 L C 0.682 177.532 176.870 -0.034 0.000 1.053 203 L CA 0.074 54.896 54.840 -0.030 0.000 0.847 203 L CB 0.187 42.229 42.059 -0.027 0.000 1.075 203 L HN 0.032 nan 8.230 nan 0.000 0.479 204 R N 0.696 121.152 120.500 -0.073 0.000 2.651 204 R HA 0.234 4.577 4.340 0.005 0.000 0.282 204 R C -1.999 174.186 176.300 -0.193 0.000 1.565 204 R CA -1.572 54.453 56.100 -0.124 0.000 1.661 204 R CB 0.576 30.768 30.300 -0.180 0.000 1.189 204 R HN -0.016 nan 8.270 nan 0.000 0.621 205 P HA -0.130 nan 4.420 nan 0.000 0.219 205 P C 0.319 177.517 177.300 -0.169 0.000 1.146 205 P CA 1.110 64.138 63.100 -0.120 0.000 0.808 205 P CB 0.553 32.213 31.700 -0.066 0.000 0.779 206 E N -0.154 119.906 120.200 -0.234 0.000 2.268 206 E HA -0.040 4.313 4.350 0.005 0.000 0.195 206 E C 1.679 178.024 176.600 -0.425 0.000 0.995 206 E CA 0.623 56.853 56.400 -0.283 0.000 0.836 206 E CB -0.719 28.855 29.700 -0.210 0.000 0.763 206 E HN 0.302 nan 8.360 nan 0.000 0.491 207 L N -0.076 120.842 121.223 -0.510 0.000 2.629 207 L HA 0.196 4.539 4.340 0.005 0.000 0.230 207 L C 1.856 178.569 176.870 -0.261 0.000 1.151 207 L CA -0.087 54.493 54.840 -0.434 0.000 0.924 207 L CB 0.119 41.895 42.059 -0.472 0.000 1.137 207 L HN 0.192 nan 8.230 nan 0.000 0.457 208 G N -1.124 107.551 108.800 -0.207 0.000 2.534 208 G HA2 -0.173 3.790 3.960 0.005 0.000 0.217 208 G HA3 -0.173 3.790 3.960 0.005 0.000 0.217 208 G C 1.285 176.125 174.900 -0.099 0.000 1.128 208 G CA 0.313 45.334 45.100 -0.131 0.000 0.784 208 G HN 0.449 nan 8.290 nan 0.000 0.542 209 C N 0.970 120.190 119.300 -0.134 0.000 2.618 209 C HA 0.333 4.796 4.460 0.005 0.000 0.264 209 C C 0.776 175.719 174.990 -0.078 0.000 1.334 209 C CA -1.105 57.861 59.018 -0.085 0.000 1.731 209 C CB -0.844 26.727 27.740 -0.280 0.000 1.852 209 C HN 0.235 nan 8.230 nan 0.000 0.566 210 I N 2.264 122.755 120.570 -0.132 0.000 2.421 210 I HA 0.045 4.217 4.170 0.005 0.000 0.291 210 I C 1.020 177.091 176.117 -0.077 0.000 1.089 210 I CA 0.102 61.338 61.300 -0.108 0.000 1.354 210 I CB 0.069 37.990 38.000 -0.133 0.000 1.413 210 I HN 0.183 nan 8.210 nan 0.000 0.513 211 L N 5.497 126.679 121.223 -0.068 0.000 2.109 211 L HA -0.086 4.257 4.340 0.005 0.000 0.207 211 L C 1.088 177.901 176.870 -0.096 0.000 1.086 211 L CA 1.487 56.273 54.840 -0.090 0.000 0.760 211 L CB -0.228 41.743 42.059 -0.148 0.000 0.910 211 L HN 0.556 nan 8.230 nan 0.000 0.437 212 Q N -0.389 119.353 119.800 -0.098 0.000 2.932 212 Q HA 0.257 4.600 4.340 0.005 0.000 0.248 212 Q C -1.896 174.065 176.000 -0.064 0.000 0.982 212 Q CA -1.491 54.243 55.803 -0.114 0.000 0.730 212 Q CB 1.023 29.593 28.738 -0.280 0.000 1.249 212 Q HN 0.137 nan 8.270 nan 0.000 0.476 213 P HA -0.077 nan 4.420 nan 0.000 0.221 213 P C 0.883 178.127 177.300 -0.092 0.000 1.150 213 P CA 0.789 63.833 63.100 -0.092 0.000 0.800 213 P CB 0.507 32.150 31.700 -0.095 0.000 0.787 214 L N -1.234 119.962 121.223 -0.046 0.000 2.607 214 L HA 0.264 4.607 4.340 0.005 0.000 0.228 214 L C 1.371 178.264 176.870 0.038 0.000 1.123 214 L CA -0.361 54.466 54.840 -0.022 0.000 0.890 214 L CB -0.673 41.381 42.059 -0.010 0.000 1.103 214 L HN -0.088 nan 8.230 nan 0.000 0.468 215 G N -0.070 108.780 108.800 0.083 0.000 2.305 215 G HA2 0.210 4.173 3.960 0.005 0.000 0.243 215 G HA3 0.210 4.173 3.960 0.005 0.000 0.243 215 G C 1.010 176.078 174.900 0.280 0.000 1.288 215 G CA 0.185 45.425 45.100 0.233 0.000 0.901 215 G HN 0.308 nan 8.290 nan 0.000 0.516 216 G N 1.212 110.183 108.800 0.284 0.000 2.813 216 G HA2 0.125 4.088 3.960 0.005 0.000 0.209 216 G HA3 0.125 4.088 3.960 0.005 0.000 0.209 216 G C 0.435 175.550 174.900 0.358 0.000 1.150 216 G CA -0.002 45.313 45.100 0.358 0.000 0.785 216 G HN 0.551 nan 8.290 nan 0.000 0.535 217 E N 0.474 120.888 120.200 0.357 0.000 2.055 217 E HA 0.519 4.872 4.350 0.005 0.000 0.274 217 E C -0.963 175.865 176.600 0.380 0.000 0.949 217 E CA -0.581 55.971 56.400 0.252 0.000 0.775 217 E CB 0.563 30.346 29.700 0.139 0.000 1.097 217 E HN 0.510 nan 8.360 nan 0.000 0.404 218 Y N 0.361 120.788 120.300 0.213 0.000 2.641 218 Y HA 0.821 5.374 4.550 0.004 0.000 0.333 218 Y C -1.290 174.769 175.900 0.265 0.000 1.174 218 Y CA -1.728 56.497 58.100 0.208 0.000 1.057 218 Y CB 0.748 39.317 38.460 0.181 0.000 1.322 218 Y HN 0.328 nan 8.280 nan 0.000 0.457 219 A N 1.260 124.276 122.820 0.327 0.000 2.435 219 A HA 1.040 5.363 4.320 0.005 0.000 0.304 219 A C -1.248 176.494 177.584 0.264 0.000 1.064 219 A CA -0.288 51.873 52.037 0.207 0.000 0.727 219 A CB 1.403 20.464 19.000 0.101 0.000 1.284 219 A HN 1.970 nan 8.150 nan 0.000 0.415 220 A N 0.360 123.320 122.820 0.232 0.000 2.609 220 A HA 0.864 5.187 4.320 0.005 0.000 0.291 220 A C -0.035 177.650 177.584 0.167 0.000 1.096 220 A CA 0.075 52.253 52.037 0.236 0.000 0.684 220 A CB 0.651 19.851 19.000 0.335 0.000 1.282 220 A HN 1.930 nan 8.150 nan 0.000 0.412 221 T N -1.297 113.360 114.554 0.170 0.000 2.913 221 T HA 0.366 4.718 4.350 0.005 0.000 0.297 221 T C 1.081 175.872 174.700 0.151 0.000 1.029 221 T CA 0.011 62.195 62.100 0.139 0.000 1.104 221 T CB 1.052 70.024 68.868 0.173 0.000 0.964 221 T HN 0.808 nan 8.240 nan 0.000 0.532 222 R N 1.119 121.681 120.500 0.103 0.000 2.105 222 R HA -0.104 4.238 4.340 0.005 0.000 0.239 222 R C 2.739 179.101 176.300 0.103 0.000 1.135 222 R CA 2.004 58.159 56.100 0.092 0.000 0.967 222 R CB -1.060 29.266 30.300 0.043 0.000 0.861 222 R HN 0.920 nan 8.270 nan 0.000 0.442 223 E N 0.867 121.127 120.200 0.099 0.000 2.160 223 E HA -0.201 4.152 4.350 0.005 0.000 0.195 223 E C 1.709 178.362 176.600 0.088 0.000 0.991 223 E CA 1.496 57.947 56.400 0.086 0.000 0.810 223 E CB -0.649 29.102 29.700 0.086 0.000 0.742 223 E HN 0.385 nan 8.360 nan 0.000 0.466 224 L N -0.672 120.625 121.223 0.123 0.000 2.102 224 L HA 0.191 4.534 4.340 0.005 0.000 0.202 224 L C 2.467 179.444 176.870 0.179 0.000 1.076 224 L CA 1.281 56.191 54.840 0.116 0.000 0.761 224 L CB -0.181 41.958 42.059 0.134 0.000 0.921 224 L HN 0.334 nan 8.230 nan 0.000 0.444 225 L N -0.368 120.999 121.223 0.241 0.000 2.131 225 L HA -0.158 4.185 4.340 0.005 0.000 0.210 225 L C 2.198 179.277 176.870 0.348 0.000 1.092 225 L CA 1.736 56.801 54.840 0.374 0.000 0.759 225 L CB -0.965 41.340 42.059 0.411 0.000 0.903 225 L HN 0.525 nan 8.230 nan 0.000 0.435 226 T N -6.189 108.484 114.554 0.197 0.000 3.107 226 T HA 0.074 4.427 4.350 0.005 0.000 0.249 226 T C 1.554 176.342 174.700 0.147 0.000 1.096 226 T CA 0.475 62.656 62.100 0.136 0.000 1.012 226 T CB 0.271 69.172 68.868 0.056 0.000 0.977 226 T HN 0.081 nan 8.240 nan 0.000 0.527 227 S N 0.876 116.666 115.700 0.150 0.000 2.511 227 S HA 0.340 4.813 4.470 0.005 0.000 0.214 227 S C 0.681 175.358 174.600 0.127 0.000 0.997 227 S CA -0.231 58.036 58.200 0.112 0.000 0.908 227 S CB 0.367 63.608 63.200 0.067 0.000 0.803 227 S HN 0.656 nan 8.310 nan 0.000 0.504 228 V N 0.499 120.527 119.914 0.189 0.000 2.667 228 V HA 0.662 4.785 4.120 0.005 0.000 0.308 228 V C -2.962 173.293 176.094 0.268 0.000 1.048 228 V CA -2.975 59.429 62.300 0.174 0.000 0.928 228 V CB 1.369 33.264 31.823 0.121 0.000 1.004 228 V HN -0.129 nan 8.190 nan 0.000 0.444 229 P HA 0.302 nan 4.420 nan 0.000 0.272 229 P C -1.247 176.183 177.300 0.218 0.000 1.223 229 P CA 0.018 63.215 63.100 0.163 0.000 0.784 229 P CB 0.487 32.212 31.700 0.040 0.000 0.923 230 F N 0.718 120.607 119.950 -0.102 0.000 2.411 230 F HA 0.468 4.998 4.527 0.005 0.000 0.352 230 F C 0.845 176.558 175.800 -0.144 0.000 1.123 230 F CA -0.603 57.348 58.000 -0.082 0.000 1.044 230 F CB 1.094 40.085 39.000 -0.016 0.000 1.135 230 F HN 0.317 nan 8.300 nan 0.000 0.461 231 A N 6.590 129.372 122.820 -0.064 0.000 2.445 231 A HA 0.503 4.826 4.320 0.005 0.000 0.242 231 A C -2.316 175.248 177.584 -0.033 0.000 1.075 231 A CA -1.135 50.863 52.037 -0.065 0.000 0.777 231 A CB -0.448 18.497 19.000 -0.090 0.000 1.013 231 A HN 0.437 nan 8.150 nan 0.000 0.493 232 P HA 0.382 nan 4.420 nan 0.000 0.276 232 P C 0.975 178.240 177.300 -0.059 0.000 1.244 232 P CA 1.100 64.171 63.100 -0.047 0.000 0.801 232 P CB 0.717 32.384 31.700 -0.055 0.000 1.006 233 G N 1.423 110.162 108.800 -0.101 0.000 2.651 233 G HA2 -0.338 3.625 3.960 0.005 0.000 0.315 233 G HA3 -0.338 3.625 3.960 0.005 0.000 0.315 233 G C 0.426 175.183 174.900 -0.238 0.000 1.258 233 G CA 0.569 45.528 45.100 -0.235 0.000 1.002 233 G HN 0.540 nan 8.290 nan 0.000 0.551 234 Y N 2.172 122.468 120.300 -0.007 0.000 2.490 234 Y HA 0.342 4.896 4.550 0.007 0.000 0.281 234 Y C 2.647 178.524 175.900 -0.037 0.000 1.174 234 Y CA 0.479 58.568 58.100 -0.017 0.000 1.295 234 Y CB 0.225 38.667 38.460 -0.031 0.000 1.062 234 Y HN 0.549 nan 8.280 nan 0.000 0.522 235 G N -0.904 107.930 108.800 0.057 0.000 2.985 235 G HA2 -0.082 3.881 3.960 0.005 0.000 0.209 235 G HA3 -0.082 3.881 3.960 0.005 0.000 0.209 235 G C 1.561 176.428 174.900 -0.056 0.000 1.165 235 G CA 0.415 45.514 45.100 -0.002 0.000 0.776 235 G HN 0.327 nan 8.290 nan 0.000 0.541 236 V N 0.492 120.374 119.914 -0.052 0.000 2.343 236 V HA -0.159 3.964 4.120 0.005 0.000 0.247 236 V C 2.630 178.591 176.094 -0.222 0.000 1.051 236 V CA 2.806 65.028 62.300 -0.130 0.000 1.036 236 V CB -0.078 31.719 31.823 -0.043 0.000 0.654 236 V HN 0.400 nan 8.190 nan 0.000 0.451 237 E N -0.077 120.023 120.200 -0.167 0.000 2.028 237 E HA -0.177 4.176 4.350 0.005 0.000 0.191 237 E C 1.896 178.335 176.600 -0.268 0.000 0.988 237 E CA 1.818 58.043 56.400 -0.293 0.000 0.799 237 E CB -0.430 29.140 29.700 -0.217 0.000 0.755 237 E HN 0.665 nan 8.360 nan 0.000 0.447 238 I N 0.315 120.784 120.570 -0.168 0.000 2.286 238 I HA -0.131 4.042 4.170 0.005 0.000 0.248 238 I C 2.014 178.047 176.117 -0.140 0.000 1.115 238 I CA 1.645 62.862 61.300 -0.138 0.000 1.392 238 I CB -0.480 37.465 38.000 -0.092 0.000 1.065 238 I HN 0.157 nan 8.210 nan 0.000 0.418 239 G N 0.241 108.951 108.800 -0.150 0.000 2.418 239 G HA2 -0.267 3.696 3.960 0.005 0.000 0.217 239 G HA3 -0.267 3.696 3.960 0.005 0.000 0.217 239 G C 1.630 176.423 174.900 -0.177 0.000 1.158 239 G CA 0.990 46.001 45.100 -0.148 0.000 0.771 239 G HN 0.410 nan 8.290 nan 0.000 0.545 240 L N 0.031 121.095 121.223 -0.264 0.000 2.056 240 L HA 0.101 4.444 4.340 0.005 0.000 0.207 240 L C 2.560 179.335 176.870 -0.159 0.000 1.078 240 L CA 1.376 56.058 54.840 -0.264 0.000 0.749 240 L CB -0.439 41.396 42.059 -0.373 0.000 0.901 240 L HN 0.213 nan 8.230 nan 0.000 0.433 241 L N -1.371 119.748 121.223 -0.173 0.000 2.012 241 L HA -0.173 4.170 4.340 0.005 0.000 0.210 241 L C 2.304 179.152 176.870 -0.037 0.000 1.073 241 L CA 1.939 56.710 54.840 -0.115 0.000 0.748 241 L CB -0.582 41.388 42.059 -0.149 0.000 0.891 241 L HN 0.100 nan 8.230 nan 0.000 0.431 242 V N -0.290 119.600 119.914 -0.040 0.000 2.358 242 V HA -0.233 3.890 4.120 0.005 0.000 0.246 242 V C 2.251 178.386 176.094 0.067 0.000 1.047 242 V CA 1.793 64.113 62.300 0.032 0.000 1.035 242 V CB -0.847 30.974 31.823 -0.002 0.000 0.658 242 V HN 0.446 nan 8.190 nan 0.000 0.452 243 D N 0.186 120.587 120.400 0.002 0.000 2.117 243 D HA -0.138 4.504 4.640 0.005 0.000 0.197 243 D C 2.284 178.586 176.300 0.004 0.000 0.987 243 D CA 1.911 55.908 54.000 -0.005 0.000 0.829 243 D CB -0.339 40.444 40.800 -0.029 0.000 0.961 243 D HN 0.411 nan 8.370 nan 0.000 0.460 244 T N 0.546 115.110 114.554 0.017 0.000 2.708 244 T HA -0.151 4.202 4.350 0.005 0.000 0.266 244 T C 1.729 176.454 174.700 0.043 0.000 1.037 244 T CA 0.723 62.839 62.100 0.026 0.000 1.146 244 T CB -0.455 68.439 68.868 0.043 0.000 0.865 244 T HN 0.138 nan 8.240 nan 0.000 0.435 245 F N 2.502 122.417 119.950 -0.058 0.000 2.146 245 F HA -0.090 4.440 4.527 0.006 0.000 0.298 245 F C 1.774 177.542 175.800 -0.053 0.000 1.096 245 F CA 1.237 59.202 58.000 -0.060 0.000 1.275 245 F CB -0.384 38.574 39.000 -0.070 0.000 1.008 245 F HN 0.015 nan 8.300 nan 0.000 0.480 246 D N 0.152 120.464 120.400 -0.147 0.000 2.178 246 D HA -0.161 4.482 4.640 0.005 0.000 0.202 246 D C 2.199 178.360 176.300 -0.231 0.000 0.974 246 D CA 1.619 55.479 54.000 -0.232 0.000 0.841 246 D CB -0.273 40.498 40.800 -0.048 0.000 0.953 246 D HN 0.531 nan 8.370 nan 0.000 0.478 247 R N -0.666 119.736 120.500 -0.163 0.000 2.307 247 R HA 0.259 4.602 4.340 0.005 0.000 0.200 247 R C 1.478 177.691 176.300 -0.145 0.000 0.893 247 R CA 0.301 56.322 56.100 -0.131 0.000 1.042 247 R CB 0.108 30.359 30.300 -0.081 0.000 1.059 247 R HN 0.115 nan 8.270 nan 0.000 0.530 248 L N -0.358 120.767 121.223 -0.163 0.000 2.766 248 L HA 0.469 4.812 4.340 0.005 0.000 0.241 248 L C 0.526 177.307 176.870 -0.149 0.000 1.080 248 L CA 0.194 54.950 54.840 -0.139 0.000 0.909 248 L CB 1.061 43.051 42.059 -0.115 0.000 1.277 248 L HN 0.468 nan 8.230 nan 0.000 0.510 249 G N 0.324 108.979 108.800 -0.243 0.000 2.712 249 G HA2 -0.237 3.726 3.960 0.005 0.000 0.683 249 G HA3 -0.237 3.726 3.960 0.005 0.000 0.683 249 G C -0.161 174.747 174.900 0.013 0.000 1.320 249 G CA -0.224 44.724 45.100 -0.253 0.000 0.847 249 G HN -0.057 nan 8.290 nan 0.000 0.553 250 L N 0.018 121.334 121.223 0.156 0.000 2.201 250 L HA 0.126 4.469 4.340 0.005 0.000 0.212 250 L C 2.341 179.226 176.870 0.025 0.000 1.105 250 L CA 2.618 57.561 54.840 0.172 0.000 0.775 250 L CB -0.385 41.752 42.059 0.129 0.000 0.913 250 L HN 0.605 nan 8.230 nan 0.000 0.440 251 D N -0.327 120.077 120.400 0.007 0.000 2.263 251 D HA -0.123 4.520 4.640 0.005 0.000 0.208 251 D C 2.076 178.388 176.300 0.019 0.000 0.971 251 D CA 1.232 55.226 54.000 -0.009 0.000 0.867 251 D CB 0.035 40.832 40.800 -0.005 0.000 0.929 251 D HN 0.464 nan 8.370 nan 0.000 0.492 252 A N -0.158 122.694 122.820 0.054 0.000 2.169 252 A HA 0.117 4.440 4.320 0.005 0.000 0.212 252 A C 1.049 178.685 177.584 0.086 0.000 1.153 252 A CA 0.063 52.170 52.037 0.117 0.000 0.756 252 A CB -0.009 19.076 19.000 0.142 0.000 0.813 252 A HN 0.132 nan 8.150 nan 0.000 0.471 253 I N 0.305 120.897 120.570 0.037 0.000 2.359 253 I HA 0.558 4.731 4.170 0.005 0.000 0.294 253 I C 0.229 176.316 176.117 -0.049 0.000 0.987 253 I CA -0.404 60.901 61.300 0.008 0.000 1.225 253 I CB 1.806 39.802 38.000 -0.006 0.000 1.366 253 I HN 0.153 nan 8.210 nan 0.000 0.466 254 A N 5.963 128.769 122.820 -0.024 0.000 2.423 254 A HA 0.779 5.102 4.320 0.005 0.000 0.304 254 A C -1.074 176.515 177.584 0.008 0.000 1.104 254 A CA -0.640 51.370 52.037 -0.044 0.000 0.757 254 A CB 1.689 20.686 19.000 -0.006 0.000 1.313 254 A HN 0.689 nan 8.150 nan 0.000 0.423 255 Q N 0.190 120.009 119.800 0.031 0.000 2.353 255 Q HA 0.581 4.924 4.340 0.005 0.000 0.268 255 Q C -1.058 175.091 176.000 0.249 0.000 1.045 255 Q CA -0.956 54.957 55.803 0.182 0.000 0.811 255 Q CB 2.579 31.479 28.738 0.269 0.000 1.305 255 Q HN 0.793 nan 8.270 nan 0.000 0.447 256 V N -0.410 119.613 119.914 0.182 0.000 2.604 256 V HA 0.517 4.640 4.120 0.005 0.000 0.305 256 V C -0.551 175.294 176.094 -0.414 0.000 1.043 256 V CA -1.081 61.224 62.300 0.009 0.000 0.888 256 V CB 1.761 33.604 31.823 0.032 0.000 0.995 256 V HN 0.672 nan 8.190 nan 0.000 0.429 257 N N 3.352 121.638 118.700 -0.689 0.000 2.420 257 N HA 0.317 5.060 4.740 0.005 0.000 0.262 257 N C 0.438 175.501 175.510 -0.745 0.000 1.144 257 N CA -0.198 52.166 53.050 -1.143 0.000 0.952 257 N CB 0.793 38.810 38.487 -0.783 0.000 1.081 257 N HN 0.853 nan 8.380 nan 0.000 0.480 258 L N 2.614 123.507 121.223 -0.550 0.000 2.592 258 L HA 0.244 4.587 4.340 0.005 0.000 0.227 258 L C 1.612 178.386 176.870 -0.160 0.000 1.127 258 L CA 0.326 54.947 54.840 -0.366 0.000 0.884 258 L CB -0.815 40.969 42.059 -0.458 0.000 1.065 258 L HN 0.861 nan 8.230 nan 0.000 0.457 259 G N 0.323 108.994 108.800 -0.215 0.000 2.728 259 G HA2 -0.284 3.679 3.960 0.005 0.000 0.269 259 G HA3 -0.284 3.679 3.960 0.005 0.000 0.269 259 G C -0.052 174.892 174.900 0.074 0.000 1.334 259 G CA -0.150 44.905 45.100 -0.074 0.000 0.974 259 G HN -0.044 nan 8.290 nan 0.000 0.550 260 V N 2.167 122.170 119.914 0.149 0.000 2.384 260 V HA 0.690 4.813 4.120 0.005 0.000 0.287 260 V C 0.518 176.749 176.094 0.228 0.000 1.020 260 V CA -0.383 62.022 62.300 0.174 0.000 0.850 260 V CB 1.453 33.357 31.823 0.135 0.000 0.987 260 V HN 0.760 nan 8.190 nan 0.000 0.436 261 R N 3.435 124.042 120.500 0.179 0.000 2.445 261 R HA 0.556 4.899 4.340 0.005 0.000 0.308 261 R C -0.734 175.620 176.300 0.090 0.000 0.961 261 R CA -0.465 55.694 56.100 0.098 0.000 0.862 261 R CB 1.611 31.717 30.300 -0.323 0.000 1.144 261 R HN 0.869 nan 8.270 nan 0.000 0.447 262 E N 3.352 123.620 120.200 0.114 0.000 2.234 262 E HA 0.222 4.575 4.350 0.005 0.000 0.266 262 E C -1.616 175.078 176.600 0.156 0.000 0.877 262 E CA -0.699 55.770 56.400 0.115 0.000 0.758 262 E CB 1.232 30.975 29.700 0.071 0.000 1.170 262 E HN 0.803 nan 8.360 nan 0.000 0.415 263 H N 1.365 120.438 119.070 0.005 0.000 2.977 263 H HA 0.414 4.975 4.556 0.008 0.000 0.350 263 H C -0.639 174.699 175.328 0.017 0.000 1.238 263 H CA -1.266 54.789 56.048 0.011 0.000 1.124 263 H CB 0.883 30.650 29.762 0.008 0.000 1.866 263 H HN 0.337 nan 8.280 nan 0.000 0.550 264 R N 1.951 122.402 120.500 -0.082 0.000 2.504 264 R HA -0.047 4.296 4.340 0.005 0.000 0.291 264 R C -1.130 174.981 176.300 -0.316 0.000 0.974 264 R CA 0.085 56.108 56.100 -0.128 0.000 1.077 264 R CB -0.227 30.078 30.300 0.008 0.000 0.926 264 R HN 0.821 nan 8.270 nan 0.000 0.407 265 N N 3.800 122.350 118.700 -0.250 0.000 2.468 265 N HA 0.008 4.751 4.740 0.005 0.000 0.265 265 N C -0.536 174.919 175.510 -0.092 0.000 1.199 265 N CA 0.055 52.977 53.050 -0.214 0.000 0.928 265 N CB 0.645 39.059 38.487 -0.122 0.000 1.059 265 N HN 0.368 nan 8.380 nan 0.000 0.467 266 R N 2.931 123.399 120.500 -0.053 0.000 2.442 266 R HA 0.176 4.519 4.340 0.005 0.000 0.291 266 R C -2.117 174.173 176.300 -0.017 0.000 1.069 266 R CA -1.378 54.715 56.100 -0.012 0.000 1.022 266 R CB 0.092 30.384 30.300 -0.013 0.000 0.976 266 R HN 0.384 nan 8.270 nan 0.000 0.443 267 P HA 0.002 nan 4.420 nan 0.000 0.268 267 P C 0.459 177.762 177.300 0.006 0.000 1.204 267 P CA -0.026 63.084 63.100 0.016 0.000 0.768 267 P CB 0.587 32.316 31.700 0.048 0.000 0.842 268 L N 1.769 123.003 121.223 0.019 0.000 2.191 268 L HA -0.183 4.160 4.340 0.005 0.000 0.212 268 L C 2.175 179.064 176.870 0.032 0.000 1.103 268 L CA 1.572 56.422 54.840 0.016 0.000 0.769 268 L CB -0.790 41.286 42.059 0.028 0.000 0.908 268 L HN 0.436 nan 8.230 nan 0.000 0.438 269 A N -0.341 122.528 122.820 0.081 0.000 2.066 269 A HA -0.179 4.144 4.320 0.005 0.000 0.218 269 A C 2.204 179.843 177.584 0.091 0.000 1.157 269 A CA 1.270 53.412 52.037 0.176 0.000 0.670 269 A CB -0.249 18.915 19.000 0.274 0.000 0.804 269 A HN 0.409 nan 8.150 nan 0.000 0.453 270 E N -0.492 119.665 120.200 -0.071 0.000 2.385 270 E HA 0.091 4.444 4.350 0.005 0.000 0.194 270 E C 1.607 177.939 176.600 -0.447 0.000 1.013 270 E CA 0.059 56.238 56.400 -0.369 0.000 0.866 270 E CB -0.092 29.499 29.700 -0.181 0.000 0.832 270 E HN 0.648 nan 8.360 nan 0.000 0.500 271 L N -0.629 120.436 121.223 -0.264 0.000 2.217 271 L HA -0.014 4.329 4.340 0.005 0.000 0.211 271 L C 2.398 179.128 176.870 -0.233 0.000 1.107 271 L CA 0.966 55.669 54.840 -0.227 0.000 0.783 271 L CB -0.356 41.629 42.059 -0.123 0.000 0.919 271 L HN 0.228 nan 8.230 nan 0.000 0.442 272 G N -0.143 108.511 108.800 -0.242 0.000 2.418 272 G HA2 -0.226 3.736 3.960 0.005 0.000 0.217 272 G HA3 -0.226 3.736 3.960 0.005 0.000 0.217 272 G C 1.797 176.509 174.900 -0.312 0.000 1.158 272 G CA 0.778 45.757 45.100 -0.201 0.000 0.771 272 G HN 0.442 nan 8.290 nan 0.000 0.545 273 A N 0.475 122.898 122.820 -0.661 0.000 1.902 273 A HA 0.039 4.362 4.320 0.005 0.000 0.217 273 A C 2.338 179.767 177.584 -0.258 0.000 1.181 273 A CA 1.880 53.547 52.037 -0.617 0.000 0.623 273 A CB -0.386 17.900 19.000 -1.191 0.000 0.818 273 A HN 0.416 nan 8.150 nan 0.000 0.443 274 M N -0.253 119.183 119.600 -0.273 0.000 2.086 274 M HA -0.144 4.339 4.480 0.005 0.000 0.261 274 M C 2.190 178.433 176.300 -0.094 0.000 1.067 274 M CA 2.094 57.297 55.300 -0.161 0.000 1.116 274 M CB -0.159 32.218 32.600 -0.370 0.000 1.348 274 M HN 0.388 nan 8.290 nan 0.000 0.407 275 S N 0.368 115.997 115.700 -0.119 0.000 2.359 275 S HA -0.210 4.263 4.470 0.005 0.000 0.224 275 S C 1.799 176.371 174.600 -0.046 0.000 1.035 275 S CA 1.795 59.951 58.200 -0.073 0.000 1.018 275 S CB -0.526 62.632 63.200 -0.070 0.000 0.876 275 S HN 0.459 nan 8.310 nan 0.000 0.448 276 R N 1.538 122.008 120.500 -0.049 0.000 2.105 276 R HA -0.097 4.245 4.340 0.005 0.000 0.239 276 R C 2.301 178.598 176.300 -0.006 0.000 1.135 276 R CA 1.697 57.785 56.100 -0.020 0.000 0.967 276 R CB -0.705 29.588 30.300 -0.011 0.000 0.861 276 R HN 0.294 nan 8.270 nan 0.000 0.442 277 Q N -0.414 119.388 119.800 0.003 0.000 2.083 277 Q HA -0.007 4.336 4.340 0.005 0.000 0.198 277 Q C 1.972 177.978 176.000 0.010 0.000 0.969 277 Q CA 1.812 57.628 55.803 0.021 0.000 0.838 277 Q CB -0.242 28.535 28.738 0.064 0.000 0.900 277 Q HN 0.233 nan 8.270 nan 0.000 0.436 278 V N 0.460 120.378 119.914 0.006 0.000 2.332 278 V HA -0.275 3.848 4.120 0.005 0.000 0.248 278 V C 2.222 178.304 176.094 -0.021 0.000 1.055 278 V CA 1.852 64.145 62.300 -0.011 0.000 1.038 278 V CB -0.531 31.279 31.823 -0.022 0.000 0.651 278 V HN 0.374 nan 8.190 nan 0.000 0.450 279 I N 0.249 120.807 120.570 -0.019 0.000 2.127 279 I HA -0.271 3.902 4.170 0.005 0.000 0.241 279 I C 2.673 178.780 176.117 -0.016 0.000 1.075 279 I CA 1.655 62.944 61.300 -0.018 0.000 1.334 279 I CB -0.616 37.376 38.000 -0.014 0.000 1.040 279 I HN 0.288 nan 8.210 nan 0.000 0.405 280 A N 0.078 122.891 122.820 -0.012 0.000 1.908 280 A HA -0.233 4.090 4.320 0.005 0.000 0.218 280 A C 2.385 179.958 177.584 -0.019 0.000 1.181 280 A CA 2.621 54.651 52.037 -0.012 0.000 0.627 280 A CB -1.175 17.821 19.000 -0.007 0.000 0.818 280 A HN 0.412 nan 8.150 nan 0.000 0.445 281 T N -0.082 114.458 114.554 -0.023 0.000 2.737 281 T HA -0.075 4.278 4.350 0.005 0.000 0.265 281 T C 1.867 176.546 174.700 -0.035 0.000 1.038 281 T CA 1.349 63.429 62.100 -0.033 0.000 1.144 281 T CB -0.330 68.513 68.868 -0.040 0.000 0.866 281 T HN 0.345 nan 8.240 nan 0.000 0.434 282 L N 0.418 121.621 121.223 -0.034 0.000 2.046 282 L HA -0.008 4.335 4.340 0.005 0.000 0.208 282 L C 2.302 179.157 176.870 -0.026 0.000 1.077 282 L CA 1.138 55.958 54.840 -0.035 0.000 0.747 282 L CB -0.266 41.770 42.059 -0.038 0.000 0.896 282 L HN 0.276 nan 8.230 nan 0.000 0.432 283 L N -0.941 120.269 121.223 -0.022 0.000 2.046 283 L HA -0.206 4.137 4.340 0.005 0.000 0.208 283 L C 2.818 179.679 176.870 -0.015 0.000 1.077 283 L CA 1.498 56.328 54.840 -0.016 0.000 0.747 283 L CB -0.691 41.360 42.059 -0.013 0.000 0.896 283 L HN 0.425 nan 8.230 nan 0.000 0.432 284 S N -0.514 115.175 115.700 -0.018 0.000 2.399 284 S HA -0.140 4.333 4.470 0.005 0.000 0.231 284 S C 2.077 176.666 174.600 -0.017 0.000 1.022 284 S CA 0.539 58.728 58.200 -0.018 0.000 0.983 284 S CB -0.273 62.913 63.200 -0.023 0.000 0.803 284 S HN 0.308 nan 8.310 nan 0.000 0.480 285 R N 0.578 121.067 120.500 -0.019 0.000 2.189 285 R HA 0.190 4.532 4.340 0.005 0.000 0.218 285 R C 1.736 178.034 176.300 -0.004 0.000 1.074 285 R CA 0.708 56.800 56.100 -0.014 0.000 0.991 285 R CB -1.573 28.716 30.300 -0.018 0.000 0.883 285 R HN 0.518 nan 8.270 nan 0.000 0.457 286 C N -0.224 119.073 119.300 -0.005 0.000 2.754 286 C HA 0.314 4.777 4.460 0.005 0.000 0.276 286 C C 1.309 176.298 174.990 -0.002 0.000 1.264 286 C CA 0.088 59.106 59.018 0.001 0.000 1.700 286 C CB -0.733 27.006 27.740 -0.002 0.000 1.885 286 C HN 0.691 nan 8.230 nan 0.000 0.607 287 G N 1.530 110.326 108.800 -0.006 0.000 2.176 287 G HA2 -0.260 3.703 3.960 0.005 0.000 0.252 287 G HA3 -0.260 3.703 3.960 0.005 0.000 0.252 287 G C -0.177 174.719 174.900 -0.007 0.000 1.024 287 G CA -0.084 45.012 45.100 -0.006 0.000 0.755 287 G HN 0.592 nan 8.290 nan 0.000 0.507 288 I N 2.230 122.795 120.570 -0.007 0.000 2.312 288 I HA 0.308 4.481 4.170 0.005 0.000 0.290 288 I C -1.706 174.407 176.117 -0.008 0.000 1.008 288 I CA -2.503 58.793 61.300 -0.007 0.000 1.226 288 I CB 1.613 39.608 38.000 -0.008 0.000 1.371 288 I HN -0.103 nan 8.210 nan 0.000 0.468 289 P HA 0.003 nan 4.420 nan 0.000 0.266 289 P C -0.862 176.435 177.300 -0.005 0.000 1.215 289 P CA 0.037 63.133 63.100 -0.006 0.000 0.763 289 P CB 0.787 32.484 31.700 -0.005 0.000 0.806 290 D N 2.301 122.698 120.400 -0.006 0.000 2.210 290 D HA 0.047 4.690 4.640 0.005 0.000 0.249 290 D C 1.265 177.564 176.300 -0.002 0.000 1.062 290 D CA -0.228 53.769 54.000 -0.004 0.000 0.891 290 D CB 1.460 42.256 40.800 -0.006 0.000 1.186 290 D HN 0.253 nan 8.370 nan 0.000 0.432 291 S N 2.328 118.029 115.700 0.001 0.000 2.419 291 S HA -0.002 4.471 4.470 0.005 0.000 0.233 291 S C 1.690 176.291 174.600 0.003 0.000 1.016 291 S CA 0.974 59.176 58.200 0.003 0.000 0.974 291 S CB -0.282 62.922 63.200 0.006 0.000 0.786 291 S HN 0.920 nan 8.310 nan 0.000 0.492 292 G N 0.116 108.918 108.800 0.003 0.000 2.159 292 G HA2 -0.239 3.724 3.960 0.005 0.000 0.256 292 G HA3 -0.239 3.724 3.960 0.005 0.000 0.256 292 G C 0.045 174.950 174.900 0.008 0.000 0.977 292 G CA 0.118 45.221 45.100 0.004 0.000 0.652 292 G HN 0.766 nan 8.290 nan 0.000 0.531 293 V N 1.529 121.450 119.914 0.011 0.000 2.432 293 V HA 0.613 4.736 4.120 0.005 0.000 0.271 293 V C 1.450 177.557 176.094 0.021 0.000 1.046 293 V CA -0.012 62.297 62.300 0.014 0.000 0.945 293 V CB 1.060 32.892 31.823 0.015 0.000 0.992 293 V HN 0.684 nan 8.190 nan 0.000 0.471 294 G N 3.783 112.596 108.800 0.023 0.000 2.594 294 G HA2 0.341 4.303 3.960 0.005 0.000 0.243 294 G HA3 0.341 4.303 3.960 0.005 0.000 0.243 294 G C -0.427 174.498 174.900 0.042 0.000 1.229 294 G CA -0.507 44.617 45.100 0.040 0.000 0.843 294 G HN 0.697 nan 8.290 nan 0.000 0.578 295 L N 0.756 122.023 121.223 0.073 0.000 2.410 295 L HA 0.362 4.705 4.340 0.005 0.000 0.273 295 L C 0.547 177.454 176.870 0.062 0.000 1.144 295 L CA 0.308 55.197 54.840 0.083 0.000 0.863 295 L CB 0.668 42.788 42.059 0.102 0.000 1.140 295 L HN 0.349 nan 8.230 nan 0.000 0.463 296 T N 5.576 120.133 114.554 0.006 0.000 2.743 296 T HA 0.350 4.703 4.350 0.005 0.000 0.292 296 T C -0.314 174.293 174.700 -0.155 0.000 0.972 296 T CA -0.319 61.693 62.100 -0.146 0.000 0.967 296 T CB 0.593 69.336 68.868 -0.209 0.000 0.926 296 T HN 0.631 nan 8.240 nan 0.000 0.459 297 Q N 2.216 121.920 119.800 -0.159 0.000 2.241 297 Q HA 0.434 4.777 4.340 0.005 0.000 0.254 297 Q C -1.040 174.845 176.000 -0.193 0.000 0.917 297 Q CA -0.488 55.311 55.803 -0.006 0.000 0.919 297 Q CB 1.414 30.284 28.738 0.220 0.000 1.237 297 Q HN 0.580 nan 8.270 nan 0.000 0.434 298 F N 1.690 121.727 119.950 0.146 0.000 2.308 298 F HA 0.285 4.814 4.527 0.004 0.000 0.370 298 F C -0.270 175.721 175.800 0.319 0.000 1.100 298 F CA -0.834 57.280 58.000 0.190 0.000 1.108 298 F CB 1.009 40.034 39.000 0.041 0.000 1.293 298 F HN 0.162 nan 8.300 nan 0.000 0.478 299 V N 3.524 123.661 119.914 0.372 0.000 2.383 299 V HA 0.556 4.679 4.120 0.005 0.000 0.275 299 V C 0.490 176.667 176.094 0.137 0.000 1.036 299 V CA -1.111 61.335 62.300 0.244 0.000 0.889 299 V CB 1.036 32.936 31.823 0.129 0.000 0.985 299 V HN 0.811 nan 8.190 nan 0.000 0.459 300 A N 3.304 126.108 122.820 -0.025 0.000 2.520 300 A HA 0.187 4.510 4.320 0.005 0.000 0.245 300 A C 0.951 178.412 177.584 -0.204 0.000 1.072 300 A CA -0.179 51.623 52.037 -0.391 0.000 0.761 300 A CB -0.037 18.763 19.000 -0.334 0.000 1.004 300 A HN 0.879 nan 8.150 nan 0.000 0.499 301 D N 1.756 122.018 120.400 -0.230 0.000 2.183 301 D HA 0.134 4.777 4.640 0.005 0.000 0.205 301 D C 1.122 177.366 176.300 -0.093 0.000 0.962 301 D CA 1.781 55.712 54.000 -0.115 0.000 0.849 301 D CB 0.152 40.901 40.800 -0.086 0.000 0.978 301 D HN 0.679 nan 8.370 nan 0.000 0.488 302 G N -0.050 108.679 108.800 -0.117 0.000 3.105 302 G HA2 0.401 4.364 3.960 0.005 0.000 0.277 302 G HA3 0.401 4.364 3.960 0.005 0.000 0.277 302 G C -1.882 172.972 174.900 -0.077 0.000 1.375 302 G CA -0.719 44.334 45.100 -0.077 0.000 0.962 302 G HN -0.180 nan 8.290 nan 0.000 0.541 303 P HA 0.016 nan 4.420 nan 0.000 0.217 303 P C 1.059 178.338 177.300 -0.035 0.000 1.151 303 P CA 0.923 64.002 63.100 -0.035 0.000 0.828 303 P CB 0.393 32.081 31.700 -0.020 0.000 0.788 304 E N -0.393 119.785 120.200 -0.037 0.000 2.208 304 E HA 0.011 4.364 4.350 0.005 0.000 0.193 304 E C 1.355 177.935 176.600 -0.034 0.000 0.988 304 E CA 1.135 57.520 56.400 -0.025 0.000 0.828 304 E CB -0.631 29.058 29.700 -0.018 0.000 0.763 304 E HN 0.380 nan 8.360 nan 0.000 0.478 305 G N 0.464 109.210 108.800 -0.090 0.000 2.171 305 G HA2 -0.364 3.599 3.960 0.005 0.000 0.238 305 G HA3 -0.364 3.599 3.960 0.005 0.000 0.238 305 G C 0.888 175.732 174.900 -0.094 0.000 1.039 305 G CA 0.871 45.870 45.100 -0.168 0.000 0.759 305 G HN 0.480 nan 8.290 nan 0.000 0.501 306 Q N -1.289 118.470 119.800 -0.070 0.000 2.378 306 Q HA 0.563 4.906 4.340 0.005 0.000 0.205 306 Q C 1.502 177.511 176.000 0.015 0.000 0.954 306 Q CA 2.281 58.080 55.803 -0.007 0.000 0.901 306 Q CB -0.042 28.691 28.738 -0.008 0.000 0.981 306 Q HN 2.334 nan 8.270 nan 0.000 0.483 307 S N -2.524 113.142 115.700 -0.057 0.000 2.550 307 S HA 0.726 5.198 4.470 0.005 0.000 0.270 307 S C -1.301 173.234 174.600 -0.108 0.000 1.145 307 S CA -0.820 57.390 58.200 0.016 0.000 0.852 307 S CB 0.825 64.036 63.200 0.019 0.000 1.119 307 S HN 0.349 nan 8.310 nan 0.000 0.465 308 Y N 0.180 120.529 120.300 0.081 0.000 2.462 308 Y HA 0.590 5.143 4.550 0.005 0.000 0.346 308 Y C 0.370 176.341 175.900 0.118 0.000 0.976 308 Y CA -0.656 57.519 58.100 0.126 0.000 1.044 308 Y CB 2.655 41.240 38.460 0.209 0.000 1.230 308 Y HN 0.722 nan 8.280 nan 0.000 0.455 309 T N 3.330 118.019 114.554 0.225 0.000 2.744 309 T HA 0.143 4.496 4.350 0.005 0.000 0.291 309 T C -0.570 174.177 174.700 0.077 0.000 0.957 309 T CA -0.628 61.540 62.100 0.113 0.000 1.002 309 T CB 0.555 69.440 68.868 0.028 0.000 0.919 309 T HN 0.491 nan 8.240 nan 0.000 0.468 310 Q N 3.288 123.087 119.800 -0.001 0.000 2.294 310 Q HA 0.161 4.504 4.340 0.005 0.000 0.257 310 Q C -0.829 175.085 176.000 -0.145 0.000 0.955 310 Q CA -0.342 55.336 55.803 -0.210 0.000 0.936 310 Q CB 0.436 29.084 28.738 -0.151 0.000 1.188 310 Q HN 0.768 nan 8.270 nan 0.000 0.420 311 H N 3.243 122.102 119.070 -0.352 0.000 2.906 311 H HA 0.311 4.870 4.556 0.004 0.000 0.324 311 H C -1.347 173.760 175.328 -0.369 0.000 0.973 311 H CA -0.640 55.197 56.048 -0.351 0.000 1.321 311 H CB 1.316 30.857 29.762 -0.368 0.000 1.535 311 H HN 0.557 nan 8.280 nan 0.000 0.518 312 T N 5.583 119.839 114.554 -0.496 0.000 2.781 312 T HA 0.083 4.435 4.350 0.005 0.000 0.305 312 T C -0.238 174.174 174.700 -0.481 0.000 1.001 312 T CA -0.474 61.390 62.100 -0.393 0.000 0.950 312 T CB -0.048 68.710 68.868 -0.183 0.000 0.955 312 T HN 0.371 nan 8.240 nan 0.000 0.471 313 W N 4.405 125.472 121.300 -0.389 0.000 2.190 313 W HA 0.350 5.012 4.660 0.003 0.000 0.330 313 W C -2.037 174.413 176.519 -0.115 0.000 1.299 313 W CA -1.957 55.237 57.345 -0.252 0.000 1.215 313 W CB -0.168 29.184 29.460 -0.181 0.000 1.147 313 W HN 0.406 nan 8.180 nan 0.000 0.563 314 P HA 0.199 nan 4.420 nan 0.000 0.275 314 P C -1.047 176.318 177.300 0.107 0.000 1.228 314 P CA -0.287 62.878 63.100 0.108 0.000 0.786 314 P CB 1.210 32.967 31.700 0.094 0.000 0.927 315 V N 1.564 121.514 119.914 0.060 0.000 2.760 315 V HA 0.555 4.678 4.120 0.005 0.000 0.309 315 V C -0.922 175.183 176.094 0.018 0.000 1.077 315 V CA -0.444 61.881 62.300 0.040 0.000 0.910 315 V CB 2.157 34.001 31.823 0.035 0.000 1.008 315 V HN 0.573 nan 8.190 nan 0.000 0.424 316 S N 5.370 121.074 115.700 0.006 0.000 2.473 316 S HA 0.589 5.062 4.470 0.005 0.000 0.307 316 S C 0.249 174.838 174.600 -0.017 0.000 1.094 316 S CA -0.664 57.530 58.200 -0.009 0.000 1.070 316 S CB 1.390 64.578 63.200 -0.020 0.000 1.019 316 S HN 0.710 nan 8.310 nan 0.000 0.480 317 L N 3.356 124.567 121.223 -0.020 0.000 2.607 317 L HA 0.396 4.739 4.340 0.005 0.000 0.228 317 L C 0.987 177.835 176.870 -0.036 0.000 1.123 317 L CA -0.190 54.635 54.840 -0.025 0.000 0.890 317 L CB -0.058 41.990 42.059 -0.018 0.000 1.103 317 L HN 0.690 nan 8.230 nan 0.000 0.468 318 A N 0.484 123.277 122.820 -0.044 0.000 2.391 318 A HA 0.290 4.613 4.320 0.005 0.000 0.316 318 A C -0.369 177.161 177.584 -0.090 0.000 1.381 318 A CA -0.529 51.471 52.037 -0.063 0.000 0.998 318 A CB -0.150 18.814 19.000 -0.061 0.000 1.147 318 A HN 0.049 nan 8.150 nan 0.000 0.545 319 D N 1.474 121.817 120.400 -0.096 0.000 2.360 319 D HA 0.209 4.852 4.640 0.005 0.000 0.242 319 D C 0.395 176.560 176.300 -0.225 0.000 1.184 319 D CA 0.227 54.151 54.000 -0.127 0.000 0.930 319 D CB 0.606 41.352 40.800 -0.090 0.000 1.161 319 D HN 0.330 nan 8.370 nan 0.000 0.447 320 R N 1.326 121.605 120.500 -0.369 0.000 2.404 320 R HA 0.371 4.714 4.340 0.005 0.000 0.291 320 R C -2.137 173.880 176.300 -0.472 0.000 1.025 320 R CA -1.676 53.986 56.100 -0.730 0.000 0.991 320 R CB 0.782 30.072 30.300 -1.683 0.000 1.053 320 R HN 0.322 nan 8.270 nan 0.000 0.479 321 P HA 0.197 nan 4.420 nan 0.000 0.273 321 P C -2.557 174.867 177.300 0.207 0.000 1.250 321 P CA -1.611 61.484 63.100 -0.007 0.000 0.793 321 P CB -0.389 31.341 31.700 0.049 0.000 1.011 322 P HA 0.023 nan 4.420 nan 0.000 0.264 322 P C 1.058 178.551 177.300 0.321 0.000 1.183 322 P CA 0.227 63.499 63.100 0.288 0.000 0.763 322 P CB 0.049 31.853 31.700 0.173 0.000 0.807 323 M N 3.219 122.999 119.600 0.301 0.000 2.346 323 M HA -0.189 4.294 4.480 0.005 0.000 0.263 323 M C 1.517 177.840 176.300 0.038 0.000 1.064 323 M CA 1.769 57.113 55.300 0.074 0.000 1.083 323 M CB -0.909 31.565 32.600 -0.210 0.000 1.399 323 M HN 0.279 nan 8.290 nan 0.000 0.435 324 Q N -0.651 119.190 119.800 0.068 0.000 2.291 324 Q HA -0.000 4.342 4.340 0.005 0.000 0.206 324 Q C 1.852 177.884 176.000 0.053 0.000 0.976 324 Q CA 1.533 57.364 55.803 0.046 0.000 0.875 324 Q CB -0.459 28.309 28.738 0.050 0.000 0.927 324 Q HN 0.678 nan 8.270 nan 0.000 0.450 325 A N -0.542 122.330 122.820 0.087 0.000 2.178 325 A HA 0.027 4.350 4.320 0.005 0.000 0.211 325 A C 1.672 179.308 177.584 0.087 0.000 1.157 325 A CA 0.343 52.430 52.037 0.083 0.000 0.780 325 A CB 0.213 19.270 19.000 0.095 0.000 0.828 325 A HN 0.153 nan 8.150 nan 0.000 0.476 326 I N -1.829 118.798 120.570 0.095 0.000 3.196 326 I HA 0.224 4.397 4.170 0.005 0.000 0.248 326 I C 1.104 177.223 176.117 0.002 0.000 1.105 326 I CA 0.715 62.062 61.300 0.077 0.000 1.482 326 I CB -0.537 37.553 38.000 0.150 0.000 1.400 326 I HN 0.225 nan 8.210 nan 0.000 0.464 327 R N 2.580 123.049 120.500 -0.051 0.000 2.415 327 R HA 0.363 4.706 4.340 0.005 0.000 0.292 327 R C -2.669 173.596 176.300 -0.058 0.000 1.295 327 R CA -1.536 54.522 56.100 -0.070 0.000 1.137 327 R CB 1.188 31.414 30.300 -0.122 0.000 1.135 327 R HN -0.032 nan 8.270 nan 0.000 0.560 328 P HA 0.196 nan 4.420 nan 0.000 0.276 328 P C -0.277 177.008 177.300 -0.025 0.000 1.253 328 P CA 0.016 63.105 63.100 -0.018 0.000 0.766 328 P CB 1.065 32.762 31.700 -0.004 0.000 0.845 329 R N 0.000 120.484 120.500 -0.027 0.000 2.786 329 R HA 0.000 4.343 4.340 0.005 0.000 0.208 329 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 329 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 329 R HN 0.000 nan 8.270 nan 0.000 0.535