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 3ckj_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 3.966 3.960 0.010 0.000 0.244 15 G C 0.000 174.090 174.900 -1.350 0.000 0.946 15 G CA 0.000 44.438 45.100 -1.103 0.000 0.502 16 L N 1.255 121.994 121.223 -0.806 0.000 2.610 16 L HA 0.260 4.606 4.340 0.010 0.000 0.232 16 L C 2.618 179.254 176.870 -0.390 0.000 1.149 16 L CA 0.227 54.714 54.840 -0.589 0.000 0.872 16 L CB -0.034 41.779 42.059 -0.411 0.000 0.992 16 L HN 0.226 nan 8.230 nan 0.000 0.447 17 R N -0.565 119.716 120.500 -0.366 0.000 2.275 17 R HA 0.013 4.359 4.340 0.010 0.000 0.199 17 R C -0.103 176.050 176.300 -0.246 0.000 0.989 17 R CA 0.384 56.335 56.100 -0.247 0.000 1.016 17 R CB 0.184 30.369 30.300 -0.192 0.000 0.918 17 R HN 0.059 nan 8.270 nan 0.000 0.473 18 D N 0.069 120.267 120.400 -0.337 0.000 2.351 18 D HA 0.059 4.705 4.640 0.010 0.000 0.235 18 D C -1.652 174.428 176.300 -0.368 0.000 1.331 18 D CA -0.056 53.773 54.000 -0.285 0.000 0.959 18 D CB 1.177 41.837 40.800 -0.232 0.000 1.432 18 D HN -0.169 nan 8.370 nan 0.000 0.544 19 T N 2.471 116.838 114.554 -0.311 0.000 2.886 19 T HA 0.677 5.033 4.350 0.010 0.000 0.292 19 T C -1.024 173.552 174.700 -0.206 0.000 1.012 19 T CA -0.588 61.324 62.100 -0.313 0.000 0.982 19 T CB 0.980 69.643 68.868 -0.341 0.000 1.018 19 T HN 0.159 nan 8.240 nan 0.000 0.451 20 R N 3.651 124.020 120.500 -0.219 0.000 2.807 20 R HA 0.496 4.842 4.340 0.010 0.000 0.276 20 R C -2.917 173.180 176.300 -0.339 0.000 0.979 20 R CA -2.477 53.492 56.100 -0.219 0.000 0.928 20 R CB 1.556 31.752 30.300 -0.173 0.000 1.191 20 R HN 0.461 nan 8.270 nan 0.000 0.471 21 P HA 0.063 nan 4.420 nan 0.000 0.264 21 P C 0.630 177.146 177.300 -1.307 0.000 1.193 21 P CA 0.960 63.572 63.100 -0.813 0.000 0.763 21 P CB 0.479 31.714 31.700 -0.776 0.000 0.810 22 G N 2.131 110.056 108.800 -1.459 0.000 2.316 22 G HA2 -0.160 3.806 3.960 0.010 0.000 0.203 22 G HA3 -0.160 3.806 3.960 0.010 0.000 0.203 22 G C -0.145 174.490 174.900 -0.441 0.000 0.999 22 G CA -0.473 43.808 45.100 -1.365 0.000 0.649 22 G HN 0.484 nan 8.290 nan 0.000 0.489 23 D N 1.771 121.998 120.400 -0.289 0.000 2.414 23 D HA 0.503 5.149 4.640 0.010 0.000 0.242 23 D C 0.296 176.742 176.300 0.242 0.000 1.129 23 D CA 0.911 54.937 54.000 0.043 0.000 0.885 23 D CB 1.095 41.956 40.800 0.101 0.000 1.198 23 D HN 0.120 nan 8.370 nan 0.000 0.437 24 T N 2.447 117.197 114.554 0.326 0.000 2.779 24 T HA 0.188 4.544 4.350 0.010 0.000 0.280 24 T C -0.672 174.115 174.700 0.145 0.000 0.987 24 T CA -0.653 61.595 62.100 0.247 0.000 0.966 24 T CB 0.746 69.725 68.868 0.184 0.000 0.933 24 T HN 0.246 nan 8.240 nan 0.000 0.442 25 W N 5.707 126.726 121.300 -0.468 0.000 2.349 25 W HA 0.589 5.255 4.660 0.010 0.000 0.309 25 W C -1.212 174.995 176.519 -0.520 0.000 1.083 25 W CA -1.830 54.843 57.345 -1.120 0.000 1.224 25 W CB -0.105 28.430 29.460 -1.543 0.000 1.256 25 W HN 0.555 nan 8.180 nan 0.000 0.461 26 L N 5.054 126.133 121.223 -0.240 0.000 2.448 26 L HA 0.475 4.822 4.340 0.010 0.000 0.258 26 L C 1.594 178.206 176.870 -0.430 0.000 1.104 26 L CA -0.390 54.310 54.840 -0.234 0.000 0.800 26 L CB 0.360 42.368 42.059 -0.085 0.000 1.241 26 L HN 0.512 nan 8.230 nan 0.000 0.472 27 A N 0.394 123.034 122.820 -0.300 0.000 1.930 27 A HA -0.154 4.172 4.320 0.010 0.000 0.217 27 A C 1.368 178.788 177.584 -0.274 0.000 1.175 27 A CA 1.459 53.299 52.037 -0.329 0.000 0.627 27 A CB -0.651 18.243 19.000 -0.176 0.000 0.815 27 A HN 0.897 nan 8.150 nan 0.000 0.443 28 D N -1.285 119.025 120.400 -0.151 0.000 2.355 28 D HA 0.204 4.850 4.640 0.010 0.000 0.253 28 D C 0.970 177.264 176.300 -0.011 0.000 1.187 28 D CA 0.900 54.860 54.000 -0.066 0.000 0.900 28 D CB -1.251 39.536 40.800 -0.020 0.000 0.915 28 D HN 0.728 nan 8.370 nan 0.000 0.516 29 R N -0.558 119.909 120.500 -0.055 0.000 4.000 29 R HA -0.207 4.139 4.340 0.010 0.000 0.362 29 R C 0.798 177.320 176.300 0.369 0.000 1.183 29 R CA 1.270 57.536 56.100 0.277 0.000 1.011 29 R CB -3.351 27.134 30.300 0.309 0.000 1.501 29 R HN 0.851 nan 8.270 nan 0.000 0.553 30 S N -1.608 114.197 115.700 0.175 0.000 2.610 30 S HA 0.756 5.233 4.470 0.010 0.000 0.273 30 S C -0.068 174.632 174.600 0.167 0.000 1.274 30 S CA -0.370 57.953 58.200 0.206 0.000 1.023 30 S CB 1.260 64.537 63.200 0.129 0.000 0.962 30 S HN 0.760 nan 8.310 nan 0.000 0.523 31 W N 0.899 122.304 121.300 0.176 0.000 2.799 31 W HA 0.602 5.268 4.660 0.010 0.000 0.349 31 W C 0.189 176.764 176.519 0.094 0.000 1.100 31 W CA -0.608 56.822 57.345 0.143 0.000 1.174 31 W CB 1.589 31.067 29.460 0.031 0.000 1.427 31 W HN 0.779 nan 8.180 nan 0.000 0.547 32 N N 1.794 120.711 118.700 0.363 0.000 2.310 32 N HA 0.350 5.096 4.740 0.010 0.000 0.292 32 N C -1.592 174.030 175.510 0.187 0.000 1.049 32 N CA -0.737 52.449 53.050 0.226 0.000 0.849 32 N CB 1.906 40.501 38.487 0.180 0.000 1.532 32 N HN 0.628 nan 8.380 nan 0.000 0.479 33 R N 4.026 124.585 120.500 0.098 0.000 2.239 33 R HA 0.406 4.752 4.340 0.010 0.000 0.332 33 R C -2.109 174.170 176.300 -0.035 0.000 0.988 33 R CA -1.212 54.894 56.100 0.010 0.000 0.859 33 R CB 0.652 30.933 30.300 -0.032 0.000 1.148 33 R HN 0.407 nan 8.270 nan 0.000 0.482 34 P HA 0.054 nan 4.420 nan 0.000 0.265 34 P C -0.072 176.989 177.300 -0.397 0.000 1.193 34 P CA 0.061 63.003 63.100 -0.263 0.000 0.765 34 P CB 1.350 32.755 31.700 -0.492 0.000 0.823 35 G N 2.130 110.749 108.800 -0.301 0.000 3.441 35 G HA2 0.118 4.084 3.960 0.010 0.000 0.263 35 G HA3 0.118 4.084 3.960 0.010 0.000 0.263 35 G C 0.201 175.042 174.900 -0.098 0.000 1.014 35 G CA -0.528 44.466 45.100 -0.177 0.000 0.833 35 G HN 0.609 nan 8.290 nan 0.000 0.514 36 W N 2.049 123.397 121.300 0.080 0.000 2.184 36 W HA 0.555 5.221 4.660 0.010 0.000 0.338 36 W C 0.284 176.842 176.519 0.065 0.000 1.257 36 W CA -0.180 57.204 57.345 0.066 0.000 1.243 36 W CB -0.300 29.199 29.460 0.065 0.000 1.122 36 W HN 0.041 nan 8.180 nan 0.000 0.585 37 T N -1.739 113.061 114.554 0.410 0.000 2.874 37 T HA 0.199 4.555 4.350 0.010 0.000 0.281 37 T C 0.890 175.867 174.700 0.460 0.000 0.994 37 T CA -0.692 61.611 62.100 0.338 0.000 1.015 37 T CB 1.744 70.714 68.868 0.171 0.000 1.028 37 T HN 0.327 nan 8.240 nan 0.000 0.523 38 V N 1.749 121.860 119.914 0.327 0.000 2.392 38 V HA -0.143 3.983 4.120 0.010 0.000 0.249 38 V C 3.093 179.225 176.094 0.064 0.000 1.059 38 V CA 2.374 64.779 62.300 0.175 0.000 1.051 38 V CB -1.663 30.221 31.823 0.102 0.000 0.658 38 V HN 1.077 nan 8.190 nan 0.000 0.455 39 A N -0.320 122.546 122.820 0.075 0.000 1.865 39 A HA -0.300 4.026 4.320 0.010 0.000 0.217 39 A C 2.176 179.780 177.584 0.034 0.000 1.191 39 A CA 2.191 54.252 52.037 0.041 0.000 0.623 39 A CB -0.566 18.460 19.000 0.044 0.000 0.826 39 A HN 0.623 nan 8.150 nan 0.000 0.444 40 E N -0.428 119.822 120.200 0.084 0.000 2.077 40 E HA -0.151 4.205 4.350 0.010 0.000 0.193 40 E C 2.023 178.621 176.600 -0.004 0.000 0.989 40 E CA 0.976 57.423 56.400 0.079 0.000 0.800 40 E CB -0.259 29.540 29.700 0.165 0.000 0.746 40 E HN 0.590 nan 8.360 nan 0.000 0.452 41 L N 0.918 122.088 121.223 -0.088 0.000 1.989 41 L HA -0.255 4.091 4.340 0.010 0.000 0.211 41 L C 2.674 179.422 176.870 -0.203 0.000 1.071 41 L CA 1.553 56.192 54.840 -0.335 0.000 0.749 41 L CB -0.374 41.273 42.059 -0.687 0.000 0.890 41 L HN 0.245 nan 8.230 nan 0.000 0.431 42 E N -0.156 119.968 120.200 -0.128 0.000 2.130 42 E HA -0.286 4.071 4.350 0.010 0.000 0.196 42 E C 2.042 178.602 176.600 -0.067 0.000 0.998 42 E CA 1.397 57.743 56.400 -0.089 0.000 0.806 42 E CB 0.004 29.670 29.700 -0.055 0.000 0.738 42 E HN 0.528 nan 8.360 nan 0.000 0.459 43 A N 0.822 123.613 122.820 -0.049 0.000 1.969 43 A HA -0.005 4.321 4.320 0.010 0.000 0.218 43 A C 2.280 179.840 177.584 -0.040 0.000 1.169 43 A CA 1.439 53.458 52.037 -0.031 0.000 0.635 43 A CB -0.492 18.502 19.000 -0.009 0.000 0.810 43 A HN 0.385 nan 8.150 nan 0.000 0.445 44 A N -0.436 122.347 122.820 -0.063 0.000 2.209 44 A HA 0.015 4.341 4.320 0.010 0.000 0.212 44 A C 1.858 179.398 177.584 -0.072 0.000 1.158 44 A CA 1.212 53.209 52.037 -0.067 0.000 0.742 44 A CB -0.361 18.582 19.000 -0.094 0.000 0.790 44 A HN 0.558 nan 8.150 nan 0.000 0.472 45 K N -0.568 119.786 120.400 -0.076 0.000 2.147 45 K HA 0.090 4.416 4.320 0.010 0.000 0.205 45 K C 0.954 177.525 176.600 -0.048 0.000 1.049 45 K CA 0.653 56.899 56.287 -0.069 0.000 0.936 45 K CB -0.410 32.049 32.500 -0.067 0.000 0.722 45 K HN 0.707 nan 8.250 nan 0.000 0.446 46 A N 0.204 123.001 122.820 -0.038 0.000 2.610 46 A HA -0.169 4.157 4.320 0.010 0.000 0.299 46 A C 1.094 178.664 177.584 -0.024 0.000 1.487 46 A CA 1.034 53.055 52.037 -0.027 0.000 0.743 46 A CB -2.296 16.690 19.000 -0.024 0.000 1.070 46 A HN 0.699 nan 8.150 nan 0.000 0.439 47 G N -1.438 107.346 108.800 -0.026 0.000 2.347 47 G HA2 -0.328 3.638 3.960 0.010 0.000 0.247 47 G HA3 -0.328 3.638 3.960 0.010 0.000 0.247 47 G C 0.413 175.298 174.900 -0.026 0.000 1.037 47 G CA 0.868 45.954 45.100 -0.023 0.000 0.622 47 G HN 1.290 nan 8.290 nan 0.000 0.521 48 R N 1.790 122.272 120.500 -0.029 0.000 2.623 48 R HA 0.451 4.798 4.340 0.010 0.000 0.271 48 R C 0.889 177.166 176.300 -0.038 0.000 1.043 48 R CA 0.972 57.054 56.100 -0.031 0.000 1.083 48 R CB 0.323 30.602 30.300 -0.035 0.000 0.974 48 R HN 0.486 nan 8.270 nan 0.000 0.436 49 T N -0.483 114.049 114.554 -0.036 0.000 2.945 49 T HA 0.646 5.002 4.350 0.010 0.000 0.286 49 T C 0.166 174.836 174.700 -0.051 0.000 1.025 49 T CA -0.860 61.214 62.100 -0.043 0.000 1.039 49 T CB 1.188 70.033 68.868 -0.039 0.000 1.068 49 T HN 0.357 nan 8.240 nan 0.000 0.497 50 I N 1.620 122.154 120.570 -0.060 0.000 2.447 50 I HA 0.369 4.545 4.170 0.010 0.000 0.287 50 I C -0.217 175.850 176.117 -0.083 0.000 1.023 50 I CA -0.748 60.508 61.300 -0.073 0.000 1.083 50 I CB 2.239 40.193 38.000 -0.077 0.000 1.245 50 I HN 0.639 nan 8.210 nan 0.000 0.434 51 S N 4.815 120.451 115.700 -0.106 0.000 2.489 51 S HA 0.603 5.079 4.470 0.010 0.000 0.291 51 S C -0.304 174.189 174.600 -0.178 0.000 1.151 51 S CA -0.642 57.481 58.200 -0.128 0.000 1.082 51 S CB 2.019 65.139 63.200 -0.135 0.000 1.019 51 S HN 0.285 nan 8.310 nan 0.000 0.492 52 V N 3.401 123.223 119.914 -0.153 0.000 2.459 52 V HA 0.492 4.619 4.120 0.010 0.000 0.295 52 V C -0.436 175.557 176.094 -0.167 0.000 1.029 52 V CA -0.620 61.575 62.300 -0.176 0.000 0.874 52 V CB 1.624 33.388 31.823 -0.100 0.000 0.985 52 V HN 0.657 nan 8.190 nan 0.000 0.438 53 V N 6.383 126.155 119.914 -0.236 0.000 2.409 53 V HA 0.470 4.596 4.120 0.010 0.000 0.291 53 V C -0.326 175.779 176.094 0.018 0.000 1.020 53 V CA -0.467 61.767 62.300 -0.110 0.000 0.848 53 V CB 1.779 33.532 31.823 -0.118 0.000 0.990 53 V HN 0.652 nan 8.190 nan 0.000 0.430 54 L N 7.740 128.995 121.223 0.053 0.000 2.283 54 L HA 0.458 4.804 4.340 0.010 0.000 0.281 54 L C -2.383 174.554 176.870 0.112 0.000 1.033 54 L CA -1.736 53.157 54.840 0.087 0.000 0.848 54 L CB 1.777 43.871 42.059 0.058 0.000 1.226 54 L HN 0.390 nan 8.230 nan 0.000 0.429 55 P HA 0.253 nan 4.420 nan 0.000 0.271 55 P C -0.874 176.492 177.300 0.111 0.000 1.216 55 P CA -0.157 63.028 63.100 0.141 0.000 0.776 55 P CB 1.611 33.411 31.700 0.167 0.000 0.881 56 A N 3.317 126.192 122.820 0.092 0.000 2.427 56 A HA 0.650 4.976 4.320 0.010 0.000 0.298 56 A C -1.735 175.891 177.584 0.070 0.000 1.036 56 A CA -0.580 51.503 52.037 0.077 0.000 0.701 56 A CB 1.219 20.256 19.000 0.062 0.000 1.250 56 A HN 0.483 nan 8.150 nan 0.000 0.412 57 L N 2.132 123.397 121.223 0.070 0.000 2.504 57 L HA 0.562 4.908 4.340 0.010 0.000 0.265 57 L C -1.004 175.901 176.870 0.058 0.000 0.975 57 L CA 0.167 55.045 54.840 0.063 0.000 0.864 57 L CB 0.942 43.042 42.059 0.069 0.000 1.212 57 L HN 0.779 nan 8.230 nan 0.000 0.416 58 D N 3.773 124.202 120.400 0.048 0.000 2.812 58 D HA -0.208 4.438 4.640 0.010 0.000 0.237 58 D C -0.093 176.231 176.300 0.040 0.000 1.162 58 D CA 1.057 55.081 54.000 0.041 0.000 0.740 58 D CB -0.307 40.519 40.800 0.043 0.000 1.000 58 D HN 0.790 nan 8.370 nan 0.000 0.416 59 E N -0.377 119.847 120.200 0.039 0.000 3.575 59 E HA 0.044 4.400 4.350 0.010 0.000 0.201 59 E C 1.463 178.080 176.600 0.029 0.000 0.999 59 E CA -0.165 56.257 56.400 0.036 0.000 1.315 59 E CB 0.460 30.187 29.700 0.046 0.000 1.146 59 E HN 0.467 nan 8.360 nan 0.000 0.453 60 E N 0.187 120.402 120.200 0.025 0.000 2.204 60 E HA -0.233 4.123 4.350 0.010 0.000 0.195 60 E C 0.719 177.329 176.600 0.016 0.000 0.990 60 E CA 1.125 57.536 56.400 0.019 0.000 0.821 60 E CB 0.110 29.820 29.700 0.017 0.000 0.750 60 E HN 0.146 nan 8.360 nan 0.000 0.477 61 D N 0.880 121.290 120.400 0.016 0.000 2.149 61 D HA -0.097 4.550 4.640 0.010 0.000 0.201 61 D C 2.074 178.382 176.300 0.013 0.000 0.972 61 D CA 2.196 56.204 54.000 0.013 0.000 0.835 61 D CB 0.014 40.822 40.800 0.012 0.000 0.966 61 D HN 0.487 nan 8.370 nan 0.000 0.476 62 T N -1.638 112.927 114.554 0.018 0.000 3.000 62 T HA 0.145 4.501 4.350 0.010 0.000 0.248 62 T C 2.157 176.870 174.700 0.022 0.000 1.034 62 T CA -0.257 61.855 62.100 0.021 0.000 1.060 62 T CB -0.194 68.691 68.868 0.029 0.000 0.983 62 T HN 0.021 nan 8.240 nan 0.000 0.482 63 I N 2.151 122.736 120.570 0.024 0.000 2.208 63 I HA -0.013 4.163 4.170 0.010 0.000 0.245 63 I C 2.607 178.732 176.117 0.014 0.000 1.097 63 I CA 1.569 62.884 61.300 0.025 0.000 1.363 63 I CB -0.505 37.512 38.000 0.028 0.000 1.051 63 I HN 0.419 nan 8.210 nan 0.000 0.413 64 G N -0.874 107.931 108.800 0.008 0.000 2.440 64 G HA2 -0.315 3.651 3.960 0.010 0.000 0.218 64 G HA3 -0.315 3.651 3.960 0.010 0.000 0.218 64 G C 1.721 176.616 174.900 -0.008 0.000 1.154 64 G CA 0.952 46.051 45.100 -0.001 0.000 0.767 64 G HN 0.422 nan 8.290 nan 0.000 0.552 65 S N -0.534 115.161 115.700 -0.007 0.000 2.370 65 S HA -0.118 4.358 4.470 0.010 0.000 0.226 65 S C 2.571 177.157 174.600 -0.024 0.000 1.033 65 S CA 1.428 59.617 58.200 -0.018 0.000 1.011 65 S CB -0.270 62.922 63.200 -0.013 0.000 0.852 65 S HN 0.167 nan 8.310 nan 0.000 0.457 66 V N 1.945 121.855 119.914 -0.006 0.000 2.261 66 V HA -0.182 3.944 4.120 0.010 0.000 0.246 66 V C 2.168 178.256 176.094 -0.009 0.000 1.047 66 V CA 1.988 64.288 62.300 0.001 0.000 1.015 66 V CB -0.717 31.127 31.823 0.034 0.000 0.642 66 V HN 0.475 nan 8.190 nan 0.000 0.446 67 I N 0.339 120.906 120.570 -0.005 0.000 2.151 67 I HA -0.288 3.888 4.170 0.010 0.000 0.243 67 I C 2.313 178.415 176.117 -0.025 0.000 1.080 67 I CA 1.815 63.108 61.300 -0.011 0.000 1.339 67 I CB -0.598 37.398 38.000 -0.007 0.000 1.039 67 I HN 0.315 nan 8.210 nan 0.000 0.409 68 D N 0.388 120.770 120.400 -0.030 0.000 2.149 68 D HA -0.163 4.483 4.640 0.010 0.000 0.198 68 D C 2.363 178.628 176.300 -0.059 0.000 0.990 68 D CA 1.842 55.817 54.000 -0.042 0.000 0.839 68 D CB -0.250 40.525 40.800 -0.042 0.000 0.948 68 D HN 0.418 nan 8.370 nan 0.000 0.460 69 S N -0.550 115.108 115.700 -0.071 0.000 2.474 69 S HA -0.037 4.440 4.470 0.010 0.000 0.235 69 S C 1.905 176.455 174.600 -0.085 0.000 0.997 69 S CA 0.473 58.610 58.200 -0.104 0.000 0.949 69 S CB -0.148 62.967 63.200 -0.143 0.000 0.766 69 S HN 0.274 nan 8.310 nan 0.000 0.517 70 I N 0.021 120.559 120.570 -0.053 0.000 3.971 70 I HA 0.077 4.253 4.170 0.010 0.000 0.303 70 I C 2.341 178.435 176.117 -0.040 0.000 1.233 70 I CA 0.251 61.526 61.300 -0.041 0.000 1.346 70 I CB -0.457 37.529 38.000 -0.024 0.000 1.273 70 I HN 0.128 nan 8.210 nan 0.000 0.448 71 S N 1.881 117.559 115.700 -0.036 0.000 2.451 71 S HA -0.230 4.246 4.470 0.010 0.000 0.272 71 S C -0.555 174.024 174.600 -0.035 0.000 1.136 71 S CA 2.475 60.655 58.200 -0.033 0.000 1.209 71 S CB -1.647 61.534 63.200 -0.032 0.000 1.130 71 S HN 0.299 nan 8.310 nan 0.000 0.440 72 P HA -0.024 nan 4.420 nan 0.000 0.223 72 P C 0.926 178.205 177.300 -0.035 0.000 1.144 72 P CA 0.857 63.934 63.100 -0.037 0.000 0.783 72 P CB -0.096 31.578 31.700 -0.044 0.000 0.771 73 L N -2.510 118.691 121.223 -0.037 0.000 2.446 73 L HA 0.049 4.396 4.340 0.010 0.000 0.219 73 L C 0.685 177.533 176.870 -0.037 0.000 1.116 73 L CA -0.034 54.783 54.840 -0.038 0.000 0.844 73 L CB -0.377 41.657 42.059 -0.042 0.000 0.970 73 L HN -0.255 nan 8.230 nan 0.000 0.457 74 V N 1.740 121.633 119.914 -0.035 0.000 2.585 74 V HA -0.036 4.090 4.120 0.010 0.000 0.296 74 V C 0.557 176.632 176.094 -0.031 0.000 1.035 74 V CA 0.398 62.677 62.300 -0.034 0.000 1.084 74 V CB 0.617 32.421 31.823 -0.032 0.000 0.953 74 V HN 0.511 nan 8.190 nan 0.000 0.483 75 D N 2.288 122.669 120.400 -0.032 0.000 3.028 75 D HA -0.159 4.487 4.640 0.010 0.000 0.207 75 D C 0.775 177.057 176.300 -0.029 0.000 1.100 75 D CA 1.494 55.477 54.000 -0.029 0.000 0.995 75 D CB -1.228 39.557 40.800 -0.024 0.000 1.108 75 D HN 0.785 nan 8.370 nan 0.000 0.421 76 G N 0.120 108.901 108.800 -0.033 0.000 3.110 76 G HA2 0.354 4.320 3.960 0.010 0.000 0.207 76 G HA3 0.354 4.320 3.960 0.010 0.000 0.207 76 G C 1.090 175.964 174.900 -0.043 0.000 1.841 76 G CA 0.205 45.285 45.100 -0.033 0.000 0.751 76 G HN 0.159 nan 8.290 nan 0.000 0.771 77 L N 0.494 121.687 121.223 -0.050 0.000 2.046 77 L HA 0.198 4.544 4.340 0.010 0.000 0.208 77 L C 0.808 177.639 176.870 -0.066 0.000 1.077 77 L CA 1.185 55.985 54.840 -0.067 0.000 0.747 77 L CB -0.214 41.796 42.059 -0.081 0.000 0.896 77 L HN 0.043 nan 8.230 nan 0.000 0.432 78 V N 1.294 121.174 119.914 -0.057 0.000 2.383 78 V HA 0.109 4.235 4.120 0.010 0.000 0.275 78 V C 0.679 176.742 176.094 -0.051 0.000 1.036 78 V CA -0.366 61.899 62.300 -0.058 0.000 0.889 78 V CB 1.101 32.891 31.823 -0.055 0.000 0.985 78 V HN 0.283 nan 8.190 nan 0.000 0.459 79 D N 3.344 123.712 120.400 -0.054 0.000 2.183 79 D HA 0.015 4.661 4.640 0.010 0.000 0.205 79 D C 0.646 176.919 176.300 -0.045 0.000 0.962 79 D CA 0.875 54.847 54.000 -0.047 0.000 0.849 79 D CB 0.782 41.553 40.800 -0.047 0.000 0.978 79 D HN 0.856 nan 8.370 nan 0.000 0.488 80 E N 0.166 120.335 120.200 -0.053 0.000 2.366 80 E HA 0.462 4.818 4.350 0.010 0.000 0.278 80 E C -1.552 175.014 176.600 -0.056 0.000 0.923 80 E CA -0.936 55.434 56.400 -0.050 0.000 0.761 80 E CB 2.216 31.887 29.700 -0.049 0.000 1.231 80 E HN -0.133 nan 8.360 nan 0.000 0.443 81 L N 3.259 124.454 121.223 -0.046 0.000 2.343 81 L HA 0.588 4.934 4.340 0.010 0.000 0.278 81 L C -1.793 175.056 176.870 -0.035 0.000 0.996 81 L CA -0.496 54.318 54.840 -0.045 0.000 0.831 81 L CB 1.236 43.273 42.059 -0.035 0.000 1.232 81 L HN 0.720 nan 8.230 nan 0.000 0.413 82 I N 5.419 125.967 120.570 -0.036 0.000 2.465 82 I HA 0.418 4.594 4.170 0.010 0.000 0.291 82 I C -0.704 175.412 176.117 -0.002 0.000 1.014 82 I CA -0.964 60.324 61.300 -0.021 0.000 1.093 82 I CB 2.226 40.210 38.000 -0.027 0.000 1.267 82 I HN 0.231 nan 8.210 nan 0.000 0.431 83 V N 6.677 126.597 119.914 0.009 0.000 2.406 83 V HA 0.206 4.332 4.120 0.010 0.000 0.272 83 V C 0.006 176.121 176.094 0.035 0.000 1.043 83 V CA -0.519 61.798 62.300 0.027 0.000 0.915 83 V CB 1.538 33.376 31.823 0.025 0.000 0.988 83 V HN 0.414 nan 8.190 nan 0.000 0.466 84 L N 5.299 126.556 121.223 0.057 0.000 2.270 84 L HA 0.420 4.766 4.340 0.010 0.000 0.286 84 L C -0.108 176.800 176.870 0.063 0.000 1.059 84 L CA 0.060 54.937 54.840 0.062 0.000 0.839 84 L CB 0.694 42.807 42.059 0.090 0.000 1.221 84 L HN 0.733 nan 8.230 nan 0.000 0.431 85 D N 2.022 122.450 120.400 0.048 0.000 2.317 85 D HA 0.008 4.654 4.640 0.010 0.000 0.252 85 D C 0.437 176.766 176.300 0.048 0.000 1.174 85 D CA 0.347 54.374 54.000 0.046 0.000 0.866 85 D CB 1.141 41.962 40.800 0.034 0.000 1.127 85 D HN 0.400 nan 8.370 nan 0.000 0.467 86 S N 2.799 118.531 115.700 0.053 0.000 2.552 86 S HA 0.410 4.887 4.470 0.010 0.000 0.246 86 S C 0.857 175.484 174.600 0.044 0.000 1.019 86 S CA 0.183 58.415 58.200 0.053 0.000 1.045 86 S CB -0.841 62.395 63.200 0.060 0.000 0.784 86 S HN 0.822 nan 8.310 nan 0.000 0.453 87 G N 0.991 109.814 108.800 0.039 0.000 2.167 87 G HA2 -0.195 3.771 3.960 0.010 0.000 0.194 87 G HA3 -0.195 3.771 3.960 0.010 0.000 0.194 87 G C -0.030 174.890 174.900 0.033 0.000 1.027 87 G CA -0.071 45.049 45.100 0.034 0.000 0.717 87 G HN 0.525 nan 8.290 nan 0.000 0.501 88 S N 0.070 115.790 115.700 0.034 0.000 2.558 88 S HA 0.409 4.885 4.470 0.010 0.000 0.288 88 S C 1.565 176.182 174.600 0.027 0.000 1.318 88 S CA 0.794 59.014 58.200 0.033 0.000 1.056 88 S CB 1.160 64.379 63.200 0.033 0.000 0.853 88 S HN 1.139 nan 8.310 nan 0.000 0.505 89 T N -2.098 112.471 114.554 0.026 0.000 3.040 89 T HA 0.124 4.480 4.350 0.010 0.000 0.266 89 T C 0.329 175.041 174.700 0.020 0.000 1.005 89 T CA -0.289 61.824 62.100 0.022 0.000 0.906 89 T CB -0.105 68.776 68.868 0.021 0.000 1.082 89 T HN 0.645 nan 8.240 nan 0.000 0.531 90 D N 1.617 122.029 120.400 0.022 0.000 2.399 90 D HA 0.161 4.807 4.640 0.010 0.000 0.288 90 D C 0.043 176.353 176.300 0.017 0.000 1.197 90 D CA -0.448 53.563 54.000 0.019 0.000 1.081 90 D CB -0.173 40.640 40.800 0.021 0.000 1.139 90 D HN -0.144 nan 8.370 nan 0.000 0.554 91 D N -1.699 118.710 120.400 0.016 0.000 2.358 91 D HA 0.126 4.772 4.640 0.010 0.000 0.224 91 D C 1.151 177.460 176.300 0.015 0.000 1.123 91 D CA 0.119 54.127 54.000 0.014 0.000 0.833 91 D CB -0.007 40.799 40.800 0.011 0.000 0.946 91 D HN 0.291 nan 8.370 nan 0.000 0.505 92 T N 0.124 114.690 114.554 0.019 0.000 2.624 92 T HA -0.283 4.073 4.350 0.010 0.000 0.268 92 T C 2.138 176.849 174.700 0.019 0.000 1.041 92 T CA 2.302 64.415 62.100 0.022 0.000 1.159 92 T CB -0.213 68.672 68.868 0.028 0.000 0.863 92 T HN 0.493 nan 8.240 nan 0.000 0.434 93 E N 1.620 121.831 120.200 0.017 0.000 2.017 93 E HA -0.130 4.226 4.350 0.010 0.000 0.193 93 E C 2.120 178.727 176.600 0.010 0.000 0.997 93 E CA 1.667 58.076 56.400 0.015 0.000 0.804 93 E CB -1.163 28.545 29.700 0.014 0.000 0.757 93 E HN 0.846 nan 8.360 nan 0.000 0.448 94 I N -1.753 118.823 120.570 0.009 0.000 2.286 94 I HA -0.129 4.047 4.170 0.010 0.000 0.248 94 I C 2.700 178.820 176.117 0.005 0.000 1.115 94 I CA 1.753 63.056 61.300 0.006 0.000 1.392 94 I CB -0.199 37.804 38.000 0.005 0.000 1.065 94 I HN 0.059 nan 8.210 nan 0.000 0.418 95 R N 1.306 121.810 120.500 0.007 0.000 2.092 95 R HA -0.011 4.336 4.340 0.010 0.000 0.231 95 R C 2.560 178.863 176.300 0.005 0.000 1.119 95 R CA 1.419 57.523 56.100 0.006 0.000 0.970 95 R CB -0.423 29.882 30.300 0.008 0.000 0.864 95 R HN 0.572 nan 8.270 nan 0.000 0.440 96 A N 0.415 123.239 122.820 0.007 0.000 1.898 96 A HA -0.094 4.232 4.320 0.010 0.000 0.216 96 A C 2.285 179.869 177.584 0.002 0.000 1.181 96 A CA 1.207 53.248 52.037 0.006 0.000 0.620 96 A CB -0.474 18.533 19.000 0.011 0.000 0.819 96 A HN 0.109 nan 8.150 nan 0.000 0.442 97 V N 0.037 119.952 119.914 0.002 0.000 2.295 97 V HA -0.271 3.856 4.120 0.010 0.000 0.246 97 V C 3.052 179.144 176.094 -0.003 0.000 1.049 97 V CA 1.984 64.283 62.300 -0.001 0.000 1.024 97 V CB -1.268 30.555 31.823 -0.001 0.000 0.648 97 V HN 0.607 nan 8.190 nan 0.000 0.447 98 A N -0.130 122.688 122.820 -0.003 0.000 1.972 98 A HA -0.060 4.267 4.320 0.010 0.000 0.219 98 A C 2.218 179.798 177.584 -0.007 0.000 1.169 98 A CA 1.904 53.939 52.037 -0.004 0.000 0.635 98 A CB -0.557 18.441 19.000 -0.003 0.000 0.810 98 A HN 0.615 nan 8.150 nan 0.000 0.446 99 A N -2.128 120.688 122.820 -0.007 0.000 2.251 99 A HA 0.428 4.754 4.320 0.010 0.000 0.209 99 A C 1.669 179.246 177.584 -0.012 0.000 1.187 99 A CA 1.162 53.194 52.037 -0.010 0.000 0.823 99 A CB -0.717 18.278 19.000 -0.009 0.000 0.846 99 A HN 1.854 nan 8.150 nan 0.000 0.486 100 G N -2.261 106.532 108.800 -0.010 0.000 2.144 100 G HA2 0.155 4.121 3.960 0.010 0.000 0.218 100 G HA3 0.155 4.121 3.960 0.010 0.000 0.218 100 G C 0.313 175.205 174.900 -0.013 0.000 0.988 100 G CA 0.147 45.240 45.100 -0.013 0.000 0.659 100 G HN 1.489 nan 8.290 nan 0.000 0.522 101 A N -0.152 122.662 122.820 -0.010 0.000 2.302 101 A HA 0.817 5.143 4.320 0.010 0.000 0.285 101 A C 0.594 178.173 177.584 -0.009 0.000 1.105 101 A CA 0.125 52.156 52.037 -0.010 0.000 0.816 101 A CB 0.538 19.535 19.000 -0.005 0.000 1.067 101 A HN 0.817 nan 8.150 nan 0.000 0.489 102 R N 1.600 122.093 120.500 -0.011 0.000 2.298 102 R HA 0.452 4.798 4.340 0.010 0.000 0.310 102 R C -1.311 174.986 176.300 -0.005 0.000 1.068 102 R CA -0.142 55.952 56.100 -0.010 0.000 0.957 102 R CB 0.364 30.655 30.300 -0.016 0.000 1.003 102 R HN 0.436 nan 8.270 nan 0.000 0.454 103 V N 5.854 125.767 119.914 -0.001 0.000 2.394 103 V HA 0.348 4.475 4.120 0.010 0.000 0.282 103 V C -0.442 175.654 176.094 0.004 0.000 1.031 103 V CA -0.659 61.644 62.300 0.005 0.000 0.881 103 V CB 1.689 33.517 31.823 0.008 0.000 0.982 103 V HN 0.528 nan 8.190 nan 0.000 0.451 104 V N 4.224 124.143 119.914 0.007 0.000 2.483 104 V HA 0.467 4.593 4.120 0.010 0.000 0.297 104 V C 0.315 176.418 176.094 0.014 0.000 1.027 104 V CA -0.508 61.795 62.300 0.005 0.000 0.855 104 V CB 2.052 33.873 31.823 -0.003 0.000 0.995 104 V HN 0.999 nan 8.190 nan 0.000 0.424 105 S N 4.917 120.625 115.700 0.013 0.000 2.624 105 S HA 0.370 4.846 4.470 0.010 0.000 0.263 105 S C 1.088 175.702 174.600 0.022 0.000 1.287 105 S CA -0.480 57.732 58.200 0.021 0.000 0.990 105 S CB 1.020 64.231 63.200 0.018 0.000 0.950 105 S HN 0.639 nan 8.310 nan 0.000 0.561 106 R N 0.657 121.177 120.500 0.033 0.000 2.091 106 R HA -0.132 4.214 4.340 0.010 0.000 0.238 106 R C 2.164 178.483 176.300 0.030 0.000 1.136 106 R CA 2.043 58.168 56.100 0.041 0.000 0.959 106 R CB -0.534 29.801 30.300 0.057 0.000 0.856 106 R HN 0.726 nan 8.270 nan 0.000 0.437 107 E N 0.658 120.874 120.200 0.026 0.000 2.051 107 E HA -0.201 4.156 4.350 0.010 0.000 0.192 107 E C 2.045 178.649 176.600 0.007 0.000 0.991 107 E CA 1.324 57.736 56.400 0.019 0.000 0.799 107 E CB -0.065 29.646 29.700 0.018 0.000 0.748 107 E HN 0.355 nan 8.360 nan 0.000 0.449 108 Q N -0.176 119.626 119.800 0.003 0.000 2.119 108 Q HA -0.047 4.299 4.340 0.010 0.000 0.201 108 Q C 2.190 178.178 176.000 -0.020 0.000 0.972 108 Q CA 1.238 57.037 55.803 -0.007 0.000 0.847 108 Q CB -0.172 28.563 28.738 -0.006 0.000 0.903 108 Q HN 0.315 nan 8.270 nan 0.000 0.433 109 A N 0.237 123.043 122.820 -0.024 0.000 1.933 109 A HA -0.084 4.242 4.320 0.010 0.000 0.218 109 A C 1.056 178.592 177.584 -0.079 0.000 1.175 109 A CA 0.994 53.000 52.037 -0.052 0.000 0.628 109 A CB 0.144 19.113 19.000 -0.051 0.000 0.814 109 A HN 0.301 nan 8.150 nan 0.000 0.444 110 L N -0.691 120.498 121.223 -0.056 0.000 2.422 110 L HA 0.351 4.698 4.340 0.010 0.000 0.263 110 L C -2.368 174.494 176.870 -0.014 0.000 1.372 110 L CA -1.120 53.681 54.840 -0.064 0.000 0.857 110 L CB 1.724 43.711 42.059 -0.120 0.000 1.024 110 L HN -0.066 nan 8.230 nan 0.000 0.507 111 P HA -0.119 nan 4.420 nan 0.000 0.222 111 P C 0.499 177.807 177.300 0.014 0.000 1.147 111 P CA 1.047 64.150 63.100 0.004 0.000 0.790 111 P CB 0.216 31.915 31.700 -0.002 0.000 0.780 112 E N -0.385 119.823 120.200 0.013 0.000 2.437 112 E HA 0.131 4.487 4.350 0.010 0.000 0.189 112 E C -0.135 176.490 176.600 0.043 0.000 1.054 112 E CA -0.051 56.362 56.400 0.022 0.000 0.874 112 E CB 0.030 29.738 29.700 0.014 0.000 1.011 112 E HN 0.057 nan 8.360 nan 0.000 0.474 113 V N 2.375 122.326 119.914 0.062 0.000 2.577 113 V HA 0.302 4.428 4.120 0.010 0.000 0.303 113 V C -2.418 173.728 176.094 0.087 0.000 1.042 113 V CA -2.062 60.296 62.300 0.096 0.000 0.872 113 V CB 1.973 33.905 31.823 0.182 0.000 0.998 113 V HN 0.000 nan 8.190 nan 0.000 0.423 114 P HA 0.257 nan 4.420 nan 0.000 0.267 114 P C -0.372 176.968 177.300 0.066 0.000 1.200 114 P CA -0.024 63.108 63.100 0.054 0.000 0.772 114 P CB 0.536 32.258 31.700 0.037 0.000 0.855 115 I N 2.699 123.303 120.570 0.057 0.000 2.519 115 I HA 0.190 4.366 4.170 0.010 0.000 0.287 115 I C 1.131 177.274 176.117 0.042 0.000 1.047 115 I CA -0.089 61.249 61.300 0.063 0.000 1.381 115 I CB 0.527 38.560 38.000 0.055 0.000 1.417 115 I HN 0.180 nan 8.210 nan 0.000 0.540 116 R N 6.290 126.813 120.500 0.039 0.000 2.604 116 R HA 0.493 4.839 4.340 0.010 0.000 0.287 116 R C -2.404 173.906 176.300 0.016 0.000 0.970 116 R CA -1.693 54.415 56.100 0.014 0.000 0.946 116 R CB 0.955 31.246 30.300 -0.014 0.000 1.127 116 R HN 0.327 nan 8.270 nan 0.000 0.473 117 P HA 0.237 nan 4.420 nan 0.000 0.274 117 P C -0.148 177.137 177.300 -0.026 0.000 1.246 117 P CA -0.023 63.076 63.100 -0.001 0.000 0.795 117 P CB 0.745 32.445 31.700 -0.000 0.000 1.006 118 G N -0.035 108.736 108.800 -0.049 0.000 2.570 118 G HA2 -0.140 3.826 3.960 0.010 0.000 0.686 118 G HA3 -0.140 3.826 3.960 0.010 0.000 0.686 118 G C 0.394 175.247 174.900 -0.077 0.000 1.257 118 G CA -0.062 44.966 45.100 -0.120 0.000 0.846 118 G HN 0.595 nan 8.290 nan 0.000 0.627 119 K N -0.052 120.262 120.400 -0.144 0.000 2.026 119 K HA -0.047 4.279 4.320 0.010 0.000 0.208 119 K C 2.741 179.380 176.600 0.064 0.000 1.048 119 K CA 2.322 58.594 56.287 -0.024 0.000 0.929 119 K CB -0.742 31.751 32.500 -0.011 0.000 0.713 119 K HN 0.905 nan 8.250 nan 0.000 0.439 120 G N 1.048 109.878 108.800 0.049 0.000 2.469 120 G HA2 -0.349 3.617 3.960 0.010 0.000 0.219 120 G HA3 -0.349 3.617 3.960 0.010 0.000 0.219 120 G C 1.343 176.391 174.900 0.247 0.000 1.150 120 G CA 1.383 46.572 45.100 0.149 0.000 0.763 120 G HN 0.462 nan 8.290 nan 0.000 0.561 121 E N 0.865 121.155 120.200 0.150 0.000 2.058 121 E HA -0.025 4.331 4.350 0.010 0.000 0.194 121 E C 2.719 179.472 176.600 0.254 0.000 0.997 121 E CA 1.624 58.142 56.400 0.197 0.000 0.801 121 E CB -0.574 29.193 29.700 0.112 0.000 0.746 121 E HN 0.314 nan 8.360 nan 0.000 0.450 122 A N 0.613 123.540 122.820 0.178 0.000 1.902 122 A HA -0.147 4.180 4.320 0.010 0.000 0.217 122 A C 2.158 179.860 177.584 0.195 0.000 1.181 122 A CA 1.400 53.534 52.037 0.160 0.000 0.623 122 A CB -0.635 18.440 19.000 0.124 0.000 0.818 122 A HN 0.342 nan 8.150 nan 0.000 0.443 123 L N -2.329 119.042 121.223 0.247 0.000 2.046 123 L HA -0.171 4.175 4.340 0.010 0.000 0.208 123 L C 2.344 179.360 176.870 0.244 0.000 1.077 123 L CA 1.833 56.846 54.840 0.289 0.000 0.747 123 L CB -1.563 40.673 42.059 0.294 0.000 0.896 123 L HN 0.806 nan 8.230 nan 0.000 0.432 124 W N 1.506 122.791 121.300 -0.024 0.000 2.355 124 W HA -0.205 4.461 4.660 0.010 0.000 0.309 124 W C 2.843 179.219 176.519 -0.239 0.000 1.206 124 W CA 1.573 58.633 57.345 -0.475 0.000 1.284 124 W CB -0.239 29.031 29.460 -0.317 0.000 1.145 124 W HN 0.000 nan 8.180 nan 0.000 0.502 125 R N 0.187 120.669 120.500 -0.031 0.000 2.120 125 R HA -0.166 4.180 4.340 0.010 0.000 0.234 125 R C 2.579 178.773 176.300 -0.177 0.000 1.123 125 R CA 1.842 57.822 56.100 -0.200 0.000 0.975 125 R CB -0.868 29.434 30.300 0.003 0.000 0.866 125 R HN 0.316 nan 8.270 nan 0.000 0.446 126 S N 0.968 116.645 115.700 -0.038 0.000 2.440 126 S HA -0.102 4.374 4.470 0.010 0.000 0.238 126 S C 1.972 176.548 174.600 -0.041 0.000 1.010 126 S CA 0.876 59.086 58.200 0.015 0.000 0.972 126 S CB -0.373 62.929 63.200 0.170 0.000 0.774 126 S HN 0.258 nan 8.310 nan 0.000 0.501 127 L N 0.937 122.079 121.223 -0.135 0.000 2.083 127 L HA -0.034 4.312 4.340 0.010 0.000 0.209 127 L C 3.182 179.928 176.870 -0.207 0.000 1.083 127 L CA 1.303 56.039 54.840 -0.172 0.000 0.752 127 L CB -0.876 40.994 42.059 -0.314 0.000 0.899 127 L HN 0.502 nan 8.230 nan 0.000 0.433 128 A N -0.176 122.469 122.820 -0.291 0.000 1.968 128 A HA 0.048 4.374 4.320 0.010 0.000 0.217 128 A C 2.445 179.941 177.584 -0.148 0.000 1.169 128 A CA 1.304 53.196 52.037 -0.242 0.000 0.638 128 A CB -0.405 18.408 19.000 -0.311 0.000 0.812 128 A HN 0.370 nan 8.150 nan 0.000 0.446 129 A N -0.012 122.735 122.820 -0.122 0.000 2.072 129 A HA 0.273 4.600 4.320 0.010 0.000 0.216 129 A C 1.525 179.069 177.584 -0.066 0.000 1.156 129 A CA 1.021 53.011 52.037 -0.077 0.000 0.701 129 A CB -0.488 18.479 19.000 -0.054 0.000 0.816 129 A HN 0.744 nan 8.150 nan 0.000 0.458 130 S N -1.743 113.914 115.700 -0.071 0.000 2.651 130 S HA 0.660 5.136 4.470 0.010 0.000 0.291 130 S C 0.422 174.984 174.600 -0.063 0.000 1.141 130 S CA -0.826 57.334 58.200 -0.066 0.000 1.027 130 S CB 1.447 64.603 63.200 -0.074 0.000 1.043 130 S HN 0.241 nan 8.310 nan 0.000 0.530 131 R N 0.359 120.825 120.500 -0.057 0.000 2.469 131 R HA 0.276 4.622 4.340 0.010 0.000 0.250 131 R C 1.053 177.327 176.300 -0.043 0.000 0.909 131 R CA 0.319 56.390 56.100 -0.048 0.000 1.050 131 R CB -0.156 30.118 30.300 -0.042 0.000 1.256 131 R HN 0.831 nan 8.270 nan 0.000 0.550 132 G N 1.496 110.264 108.800 -0.053 0.000 2.353 132 G HA2 -0.047 3.920 3.960 0.010 0.000 0.239 132 G HA3 -0.047 3.920 3.960 0.010 0.000 0.239 132 G C 0.379 175.259 174.900 -0.034 0.000 1.295 132 G CA -0.227 44.843 45.100 -0.051 0.000 0.884 132 G HN 0.032 nan 8.290 nan 0.000 0.537 133 D N 0.954 121.338 120.400 -0.026 0.000 2.218 133 D HA -0.073 4.573 4.640 0.010 0.000 0.204 133 D C 0.961 177.262 176.300 0.001 0.000 0.976 133 D CA 1.170 55.165 54.000 -0.008 0.000 0.853 133 D CB 0.417 41.212 40.800 -0.010 0.000 0.939 133 D HN 0.305 nan 8.370 nan 0.000 0.481 134 I N 0.766 121.324 120.570 -0.020 0.000 2.465 134 I HA 0.188 4.365 4.170 0.010 0.000 0.291 134 I C -0.701 175.378 176.117 -0.063 0.000 1.014 134 I CA -0.751 60.538 61.300 -0.019 0.000 1.093 134 I CB 2.882 40.864 38.000 -0.029 0.000 1.267 134 I HN -0.399 nan 8.210 nan 0.000 0.431 135 V N 6.646 126.516 119.914 -0.074 0.000 2.487 135 V HA 0.447 4.573 4.120 0.010 0.000 0.298 135 V C -0.283 175.598 176.094 -0.355 0.000 1.028 135 V CA -0.721 61.428 62.300 -0.251 0.000 0.860 135 V CB 2.062 33.711 31.823 -0.290 0.000 0.991 135 V HN 0.382 nan 8.190 nan 0.000 0.427 136 V N 4.860 124.503 119.914 -0.453 0.000 2.417 136 V HA 0.538 4.664 4.120 0.010 0.000 0.291 136 V C -0.686 175.034 176.094 -0.622 0.000 1.024 136 V CA -0.514 61.564 62.300 -0.370 0.000 0.861 136 V CB 1.371 33.101 31.823 -0.155 0.000 0.985 136 V HN 0.649 nan 8.190 nan 0.000 0.436 137 F N 3.489 123.281 119.950 -0.264 0.000 2.420 137 F HA 0.726 5.259 4.527 0.010 0.000 0.342 137 F C 0.080 175.756 175.800 -0.206 0.000 1.113 137 F CA -0.745 57.067 58.000 -0.312 0.000 1.059 137 F CB 1.851 40.450 39.000 -0.669 0.000 1.128 137 F HN 0.176 nan 8.300 nan 0.000 0.475 138 V N 2.695 122.660 119.914 0.086 0.000 2.623 138 V HA 0.259 4.385 4.120 0.010 0.000 0.304 138 V C -0.693 175.480 176.094 0.132 0.000 1.054 138 V CA -1.063 61.302 62.300 0.109 0.000 0.882 138 V CB 1.917 33.808 31.823 0.113 0.000 1.002 138 V HN 0.549 nan 8.190 nan 0.000 0.424 139 D N 2.205 122.692 120.400 0.145 0.000 2.382 139 D HA 0.166 4.812 4.640 0.010 0.000 0.245 139 D C 1.111 177.487 176.300 0.127 0.000 1.120 139 D CA 0.242 54.330 54.000 0.146 0.000 0.890 139 D CB 1.781 42.678 40.800 0.160 0.000 1.201 139 D HN 0.721 nan 8.370 nan 0.000 0.433 140 S N 0.155 115.922 115.700 0.111 0.000 2.631 140 S HA -0.065 4.412 4.470 0.010 0.000 0.217 140 S C 0.601 175.249 174.600 0.079 0.000 0.958 140 S CA -0.301 57.951 58.200 0.087 0.000 0.920 140 S CB 0.008 63.253 63.200 0.075 0.000 0.776 140 S HN 0.452 nan 8.310 nan 0.000 0.517 141 D N 1.008 121.464 120.400 0.092 0.000 2.424 141 D HA 0.178 4.824 4.640 0.010 0.000 0.220 141 D C 0.286 176.650 176.300 0.107 0.000 1.150 141 D CA -0.498 53.547 54.000 0.076 0.000 0.831 141 D CB -0.445 40.384 40.800 0.049 0.000 0.981 141 D HN 0.363 nan 8.370 nan 0.000 0.500 142 L N 0.620 121.920 121.223 0.129 0.000 2.456 142 L HA 0.242 4.588 4.340 0.010 0.000 0.272 142 L C 0.552 177.482 176.870 0.100 0.000 1.189 142 L CA -0.055 54.873 54.840 0.147 0.000 0.846 142 L CB 0.772 42.934 42.059 0.171 0.000 1.111 142 L HN -0.074 nan 8.230 nan 0.000 0.475 143 I N 2.895 123.527 120.570 0.103 0.000 2.362 143 I HA 0.186 4.362 4.170 0.010 0.000 0.289 143 I C 0.144 176.284 176.117 0.039 0.000 0.994 143 I CA -0.478 60.859 61.300 0.062 0.000 1.158 143 I CB 1.052 39.092 38.000 0.065 0.000 1.315 143 I HN 0.734 nan 8.210 nan 0.000 0.451 144 N N 4.229 122.928 118.700 -0.002 0.000 2.738 144 N HA -0.115 4.631 4.740 0.010 0.000 0.249 144 N C -2.388 173.059 175.510 -0.106 0.000 1.047 144 N CA -0.402 52.621 53.050 -0.045 0.000 0.707 144 N CB -0.988 37.486 38.487 -0.022 0.000 0.937 144 N HN 0.460 nan 8.380 nan 0.000 0.545 145 P HA -0.056 nan 4.420 nan 0.000 0.271 145 P C -0.341 176.546 177.300 -0.688 0.000 1.216 145 P CA 0.456 63.302 63.100 -0.423 0.000 0.771 145 P CB 0.534 32.100 31.700 -0.224 0.000 0.864 146 H N 4.979 123.270 119.070 -1.297 0.000 2.848 146 H HA 0.067 4.629 4.556 0.010 0.000 0.341 146 H C -1.482 173.432 175.328 -0.691 0.000 1.060 146 H CA -1.392 54.205 56.048 -0.752 0.000 1.444 146 H CB 0.706 30.237 29.762 -0.384 0.000 1.446 146 H HN 0.204 nan 8.280 nan 0.000 0.583 147 P HA -0.132 nan 4.420 nan 0.000 0.223 147 P C 1.321 178.546 177.300 -0.125 0.000 1.144 147 P CA 1.022 64.004 63.100 -0.197 0.000 0.783 147 P CB 0.245 31.820 31.700 -0.208 0.000 0.771 148 M N -3.047 116.483 119.600 -0.118 0.000 2.561 148 M HA 0.078 4.565 4.480 0.010 0.000 0.238 148 M C 1.168 177.257 176.300 -0.353 0.000 1.131 148 M CA 0.318 55.241 55.300 -0.628 0.000 1.046 148 M CB -1.075 30.449 32.600 -1.793 0.000 1.532 148 M HN -0.089 nan 8.290 nan 0.000 0.497 149 F N 0.555 120.426 119.950 -0.132 0.000 2.063 149 F HA -0.220 4.312 4.527 0.009 0.000 0.298 149 F C 2.529 178.392 175.800 0.104 0.000 1.109 149 F CA 1.316 59.391 58.000 0.125 0.000 1.212 149 F CB -1.501 37.577 39.000 0.130 0.000 0.973 149 F HN -0.060 nan 8.300 nan 0.000 0.480 150 V N 0.540 120.586 119.914 0.220 0.000 2.261 150 V HA -0.212 3.914 4.120 0.010 0.000 0.246 150 V C -0.270 175.877 176.094 0.088 0.000 1.047 150 V CA 2.096 64.467 62.300 0.117 0.000 1.015 150 V CB -1.795 30.053 31.823 0.043 0.000 0.642 150 V HN 0.144 nan 8.190 nan 0.000 0.446 151 P HA -0.178 nan 4.420 nan 0.000 0.216 151 P C 1.452 178.934 177.300 0.303 0.000 1.157 151 P CA 1.685 64.811 63.100 0.043 0.000 0.880 151 P CB -0.171 31.569 31.700 0.066 0.000 0.791 152 W N -0.765 120.753 121.300 0.363 0.000 2.350 152 W HA -0.043 4.622 4.660 0.009 0.000 0.289 152 W C 2.170 178.815 176.519 0.211 0.000 1.215 152 W CA 0.828 58.377 57.345 0.339 0.000 1.236 152 W CB -1.499 28.087 29.460 0.210 0.000 1.130 152 W HN 0.005 nan 8.180 nan 0.000 0.541 153 L N -0.119 121.314 121.223 0.350 0.000 2.131 153 L HA -0.134 4.212 4.340 0.010 0.000 0.206 153 L C 2.384 179.346 176.870 0.154 0.000 1.087 153 L CA 1.004 55.977 54.840 0.223 0.000 0.767 153 L CB -0.963 41.200 42.059 0.173 0.000 0.917 153 L HN -0.176 nan 8.230 nan 0.000 0.441 154 V N -3.394 116.579 119.914 0.098 0.000 2.719 154 V HA 0.090 4.217 4.120 0.010 0.000 0.252 154 V C 2.327 178.408 176.094 -0.020 0.000 1.065 154 V CA 1.156 63.461 62.300 0.009 0.000 1.086 154 V CB -1.471 30.314 31.823 -0.063 0.000 0.700 154 V HN 0.334 nan 8.190 nan 0.000 0.467 155 G N 1.701 110.515 108.800 0.024 0.000 2.681 155 G HA2 -0.257 3.710 3.960 0.010 0.000 0.220 155 G HA3 -0.257 3.710 3.960 0.010 0.000 0.220 155 G C 0.006 174.951 174.900 0.074 0.000 1.210 155 G CA 1.705 46.823 45.100 0.029 0.000 0.783 155 G HN 0.612 nan 8.290 nan 0.000 0.609 156 P HA 0.022 nan 4.420 nan 0.000 0.222 156 P C 1.903 179.223 177.300 0.032 0.000 1.147 156 P CA 0.625 63.785 63.100 0.098 0.000 0.790 156 P CB -0.091 31.674 31.700 0.109 0.000 0.780 157 L N -1.802 119.428 121.223 0.011 0.000 2.179 157 L HA -0.044 4.302 4.340 0.010 0.000 0.208 157 L C 2.228 179.067 176.870 -0.053 0.000 1.096 157 L CA 1.004 55.827 54.840 -0.028 0.000 0.779 157 L CB -0.596 41.454 42.059 -0.015 0.000 0.922 157 L HN -0.031 nan 8.230 nan 0.000 0.443 158 L N -1.216 119.967 121.223 -0.066 0.000 2.307 158 L HA 0.033 4.379 4.340 0.010 0.000 0.211 158 L C 0.647 177.480 176.870 -0.062 0.000 1.099 158 L CA 0.309 55.096 54.840 -0.089 0.000 0.816 158 L CB -0.165 41.800 42.059 -0.157 0.000 0.952 158 L HN 0.065 nan 8.230 nan 0.000 0.455 159 T N 1.555 116.091 114.554 -0.030 0.000 2.992 159 T HA 0.219 4.575 4.350 0.010 0.000 0.299 159 T C 0.789 175.492 174.700 0.005 0.000 1.027 159 T CA -0.312 61.796 62.100 0.013 0.000 1.001 159 T CB 0.444 69.357 68.868 0.075 0.000 1.005 159 T HN 0.286 nan 8.240 nan 0.000 0.599 160 G N 3.131 111.925 108.800 -0.009 0.000 2.428 160 G HA2 0.188 4.154 3.960 0.010 0.000 0.290 160 G HA3 0.188 4.154 3.960 0.010 0.000 0.290 160 G C 0.568 175.462 174.900 -0.011 0.000 0.996 160 G CA -0.531 44.556 45.100 -0.023 0.000 1.406 160 G HN 0.819 nan 8.290 nan 0.000 0.445 161 D N 1.408 121.797 120.400 -0.019 0.000 2.785 161 D HA 0.188 4.834 4.640 0.010 0.000 0.324 161 D C 1.121 177.412 176.300 -0.015 0.000 1.523 161 D CA 0.033 54.030 54.000 -0.005 0.000 0.789 161 D CB -0.062 40.747 40.800 0.015 0.000 1.171 161 D HN 0.845 nan 8.370 nan 0.000 0.447 162 G N 0.277 109.046 108.800 -0.051 0.000 2.143 162 G HA2 -0.266 3.701 3.960 0.010 0.000 0.249 162 G HA3 -0.266 3.701 3.960 0.010 0.000 0.249 162 G C 0.198 175.065 174.900 -0.054 0.000 0.981 162 G CA 0.225 45.302 45.100 -0.038 0.000 0.665 162 G HN 0.377 nan 8.290 nan 0.000 0.528 163 V N 1.285 121.130 119.914 -0.114 0.000 2.530 163 V HA 0.386 4.512 4.120 0.010 0.000 0.282 163 V C 1.243 177.209 176.094 -0.213 0.000 1.048 163 V CA -0.097 62.167 62.300 -0.061 0.000 0.997 163 V CB 1.235 33.047 31.823 -0.017 0.000 0.987 163 V HN 0.419 nan 8.190 nan 0.000 0.477 164 H N 3.740 122.836 119.070 0.043 0.000 3.058 164 H HA 0.339 4.901 4.556 0.010 0.000 0.258 164 H C -0.269 175.112 175.328 0.088 0.000 1.015 164 H CA -0.043 56.040 56.048 0.060 0.000 1.210 164 H CB 1.642 31.435 29.762 0.052 0.000 1.481 164 H HN 0.399 nan 8.280 nan 0.000 0.492 165 L N 1.475 122.810 121.223 0.187 0.000 2.436 165 L HA 0.432 4.778 4.340 0.010 0.000 0.268 165 L C -1.449 175.505 176.870 0.139 0.000 0.974 165 L CA -0.778 54.166 54.840 0.172 0.000 0.826 165 L CB 2.176 44.318 42.059 0.138 0.000 1.291 165 L HN -0.255 nan 8.230 nan 0.000 0.406 166 V N 5.298 125.319 119.914 0.177 0.000 2.350 166 V HA 0.563 4.689 4.120 0.010 0.000 0.285 166 V C -0.135 176.086 176.094 0.211 0.000 1.014 166 V CA -0.790 61.609 62.300 0.164 0.000 0.831 166 V CB 1.265 33.185 31.823 0.162 0.000 1.000 166 V HN 0.629 nan 8.190 nan 0.000 0.433 167 K N 2.502 122.998 120.400 0.161 0.000 2.095 167 K HA 0.646 4.973 4.320 0.010 0.000 0.252 167 K C 0.257 176.971 176.600 0.189 0.000 0.977 167 K CA -0.249 56.140 56.287 0.170 0.000 0.900 167 K CB 2.115 34.661 32.500 0.077 0.000 1.060 167 K HN 0.779 nan 8.250 nan 0.000 0.449 168 S N 0.700 116.520 115.700 0.202 0.000 2.638 168 S HA 0.785 5.261 4.470 0.010 0.000 0.298 168 S C -0.334 174.326 174.600 0.100 0.000 1.111 168 S CA -0.795 57.493 58.200 0.147 0.000 1.027 168 S CB 0.691 63.988 63.200 0.161 0.000 1.064 168 S HN 0.471 nan 8.310 nan 0.000 0.525 169 F N -1.205 118.659 119.950 -0.143 0.000 2.620 169 F HA 0.930 5.462 4.527 0.009 0.000 0.320 169 F C -1.224 174.365 175.800 -0.353 0.000 1.069 169 F CA -1.597 56.106 58.000 -0.495 0.000 0.953 169 F CB 0.841 39.684 39.000 -0.261 0.000 1.322 169 F HN 0.812 nan 8.300 nan 0.000 0.479 170 Y N -1.326 119.030 120.300 0.094 0.000 2.702 170 Y HA 0.624 5.179 4.550 0.009 0.000 0.336 170 Y C -1.248 174.692 175.900 0.066 0.000 1.203 170 Y CA -1.695 56.389 58.100 -0.026 0.000 1.072 170 Y CB 0.899 39.316 38.460 -0.073 0.000 1.327 170 Y HN 0.861 nan 8.280 nan 0.000 0.456 171 R N 1.229 121.883 120.500 0.256 0.000 2.265 171 R HA 0.761 5.107 4.340 0.010 0.000 0.319 171 R C -0.250 176.168 176.300 0.197 0.000 1.006 171 R CA -0.284 55.928 56.100 0.186 0.000 0.880 171 R CB 0.901 31.271 30.300 0.117 0.000 1.077 171 R HN 1.028 nan 8.270 nan 0.000 0.454 172 R N 4.943 125.548 120.500 0.176 0.000 2.351 172 R HA 0.259 4.605 4.340 0.010 0.000 0.318 172 R C -2.056 174.299 176.300 0.092 0.000 1.055 172 R CA -1.203 54.970 56.100 0.122 0.000 0.968 172 R CB -1.112 29.255 30.300 0.112 0.000 0.974 172 R HN 0.674 nan 8.270 nan 0.000 0.439 190 R N 0.505 121.014 120.500 0.015 0.000 2.081 190 R HA 0.023 4.369 4.340 0.010 0.000 0.235 190 R C 2.396 178.685 176.300 -0.017 0.000 1.131 190 R CA 1.694 57.793 56.100 -0.001 0.000 0.960 190 R CB -0.299 29.998 30.300 -0.006 0.000 0.856 190 R HN 0.261 nan 8.270 nan 0.000 0.436 191 V N 0.348 120.243 119.914 -0.032 0.000 2.453 191 V HA -0.199 3.927 4.120 0.010 0.000 0.247 191 V C 2.103 178.175 176.094 -0.036 0.000 1.048 191 V CA 1.985 64.257 62.300 -0.048 0.000 1.049 191 V CB -0.469 31.305 31.823 -0.081 0.000 0.672 191 V HN 0.387 nan 8.190 nan 0.000 0.457 192 T N -0.369 114.172 114.554 -0.020 0.000 2.708 192 T HA -0.160 4.196 4.350 0.010 0.000 0.266 192 T C 1.915 176.601 174.700 -0.023 0.000 1.037 192 T CA 1.486 63.575 62.100 -0.018 0.000 1.146 192 T CB -0.193 68.678 68.868 0.004 0.000 0.865 192 T HN 0.416 nan 8.240 nan 0.000 0.435 193 E N 0.753 120.944 120.200 -0.014 0.000 2.158 193 E HA 0.113 4.469 4.350 0.010 0.000 0.191 193 E C 2.151 178.740 176.600 -0.019 0.000 0.982 193 E CA 0.623 57.013 56.400 -0.016 0.000 0.823 193 E CB -0.110 29.587 29.700 -0.006 0.000 0.766 193 E HN 0.464 nan 8.360 nan 0.000 0.468 194 L N -0.484 120.727 121.223 -0.019 0.000 2.463 194 L HA 0.080 4.426 4.340 0.010 0.000 0.219 194 L C 1.913 178.768 176.870 -0.026 0.000 1.088 194 L CA 0.179 55.007 54.840 -0.020 0.000 0.849 194 L CB 0.334 42.383 42.059 -0.015 0.000 1.012 194 L HN -0.077 nan 8.230 nan 0.000 0.468 195 V N -0.766 119.129 119.914 -0.031 0.000 3.001 195 V HA 0.206 4.332 4.120 0.010 0.000 0.228 195 V C 2.378 178.447 176.094 -0.041 0.000 1.204 195 V CA 1.068 63.347 62.300 -0.036 0.000 1.247 195 V CB -0.126 31.673 31.823 -0.041 0.000 1.093 195 V HN 0.212 nan 8.190 nan 0.000 0.504 196 A N 0.468 123.261 122.820 -0.045 0.000 1.877 196 A HA -0.183 4.143 4.320 0.010 0.000 0.216 196 A C 2.282 179.830 177.584 -0.060 0.000 1.186 196 A CA 1.938 53.943 52.037 -0.053 0.000 0.620 196 A CB -0.489 18.479 19.000 -0.054 0.000 0.822 196 A HN 0.475 nan 8.150 nan 0.000 0.443 197 R N -0.639 119.829 120.500 -0.055 0.000 2.073 197 R HA -0.058 4.289 4.340 0.010 0.000 0.229 197 R C -0.586 175.679 176.300 -0.059 0.000 1.120 197 R CA 1.477 57.540 56.100 -0.062 0.000 0.967 197 R CB -1.398 28.868 30.300 -0.056 0.000 0.862 197 R HN 0.388 nan 8.270 nan 0.000 0.436 198 P HA -0.125 nan 4.420 nan 0.000 0.217 198 P C 1.183 178.456 177.300 -0.046 0.000 1.150 198 P CA 1.149 64.223 63.100 -0.042 0.000 0.832 198 P CB 0.028 31.708 31.700 -0.032 0.000 0.787 199 L N -1.528 119.667 121.223 -0.047 0.000 2.046 199 L HA -0.160 4.186 4.340 0.010 0.000 0.208 199 L C 2.419 179.252 176.870 -0.061 0.000 1.077 199 L CA 1.269 56.081 54.840 -0.048 0.000 0.747 199 L CB -0.910 41.122 42.059 -0.045 0.000 0.896 199 L HN -0.037 nan 8.230 nan 0.000 0.432 200 L N -0.464 120.712 121.223 -0.077 0.000 2.042 200 L HA -0.232 4.114 4.340 0.010 0.000 0.210 200 L C 2.899 179.705 176.870 -0.106 0.000 1.076 200 L CA 1.225 56.002 54.840 -0.105 0.000 0.749 200 L CB -0.793 41.187 42.059 -0.132 0.000 0.893 200 L HN 0.259 nan 8.230 nan 0.000 0.432 201 A N 0.047 122.815 122.820 -0.087 0.000 1.917 201 A HA -0.243 4.083 4.320 0.010 0.000 0.219 201 A C 2.501 180.048 177.584 -0.062 0.000 1.182 201 A CA 2.052 54.044 52.037 -0.075 0.000 0.633 201 A CB -0.705 18.260 19.000 -0.058 0.000 0.819 201 A HN 0.443 nan 8.150 nan 0.000 0.448 202 A N -1.122 121.666 122.820 -0.053 0.000 1.897 202 A HA 0.180 4.507 4.320 0.010 0.000 0.215 202 A C 2.047 179.608 177.584 -0.039 0.000 1.181 202 A CA 1.475 53.489 52.037 -0.040 0.000 0.620 202 A CB -0.284 18.696 19.000 -0.033 0.000 0.821 202 A HN 0.460 nan 8.150 nan 0.000 0.443 203 L N -2.655 118.539 121.223 -0.048 0.000 2.609 203 L HA 0.264 4.610 4.340 0.010 0.000 0.230 203 L C 0.551 177.396 176.870 -0.042 0.000 1.064 203 L CA 0.021 54.839 54.840 -0.037 0.000 0.873 203 L CB 0.387 42.425 42.059 -0.035 0.000 1.139 203 L HN 0.053 nan 8.230 nan 0.000 0.490 204 R N 0.315 120.763 120.500 -0.087 0.000 2.655 204 R HA 0.216 4.562 4.340 0.010 0.000 0.261 204 R C -2.071 174.097 176.300 -0.219 0.000 1.624 204 R CA -1.276 54.736 56.100 -0.147 0.000 1.655 204 R CB 0.549 30.718 30.300 -0.219 0.000 1.356 204 R HN -0.065 nan 8.270 nan 0.000 0.684 205 P HA -0.120 nan 4.420 nan 0.000 0.222 205 P C 0.402 177.593 177.300 -0.182 0.000 1.147 205 P CA 1.055 64.074 63.100 -0.134 0.000 0.790 205 P CB 0.591 32.246 31.700 -0.075 0.000 0.780 206 E N 0.221 120.282 120.200 -0.232 0.000 2.204 206 E HA -0.090 4.267 4.350 0.010 0.000 0.195 206 E C 1.868 178.230 176.600 -0.398 0.000 0.990 206 E CA 0.775 57.019 56.400 -0.261 0.000 0.821 206 E CB -0.917 28.679 29.700 -0.174 0.000 0.750 206 E HN 0.294 nan 8.360 nan 0.000 0.477 207 L N 0.174 121.074 121.223 -0.537 0.000 2.650 207 L HA 0.097 4.443 4.340 0.010 0.000 0.235 207 L C 2.013 178.715 176.870 -0.281 0.000 1.149 207 L CA 0.156 54.721 54.840 -0.457 0.000 0.887 207 L CB -0.278 41.481 42.059 -0.500 0.000 1.021 207 L HN 0.227 nan 8.230 nan 0.000 0.441 208 G N 0.243 108.908 108.800 -0.225 0.000 2.470 208 G HA2 -0.280 3.686 3.960 0.010 0.000 0.220 208 G HA3 -0.280 3.686 3.960 0.010 0.000 0.220 208 G C 1.623 176.445 174.900 -0.130 0.000 1.121 208 G CA 0.861 45.872 45.100 -0.149 0.000 0.766 208 G HN 0.659 nan 8.290 nan 0.000 0.553 209 C N -0.194 118.995 119.300 -0.186 0.000 2.500 209 C HA 0.387 4.853 4.460 0.010 0.000 0.273 209 C C 1.082 175.962 174.990 -0.183 0.000 1.428 209 C CA -1.492 57.406 59.018 -0.199 0.000 1.766 209 C CB -0.967 26.484 27.740 -0.482 0.000 1.817 209 C HN 0.153 nan 8.230 nan 0.000 0.543 210 I N 2.584 123.041 120.570 -0.189 0.000 2.421 210 I HA 0.108 4.285 4.170 0.010 0.000 0.291 210 I C 1.105 177.158 176.117 -0.106 0.000 1.089 210 I CA -0.373 60.837 61.300 -0.150 0.000 1.354 210 I CB 0.391 38.295 38.000 -0.160 0.000 1.413 210 I HN 0.217 nan 8.210 nan 0.000 0.513 211 L N 5.557 126.720 121.223 -0.101 0.000 2.109 211 L HA -0.066 4.280 4.340 0.010 0.000 0.207 211 L C 1.171 177.978 176.870 -0.105 0.000 1.086 211 L CA 1.576 56.345 54.840 -0.118 0.000 0.760 211 L CB -0.268 41.664 42.059 -0.212 0.000 0.910 211 L HN 0.544 nan 8.230 nan 0.000 0.437 212 Q N -0.524 119.218 119.800 -0.097 0.000 3.122 212 Q HA 0.252 4.599 4.340 0.010 0.000 0.282 212 Q C -1.819 174.155 176.000 -0.043 0.000 0.947 212 Q CA -1.377 54.368 55.803 -0.097 0.000 0.812 212 Q CB 0.981 29.566 28.738 -0.256 0.000 1.333 212 Q HN 0.176 nan 8.270 nan 0.000 0.430 213 P HA -0.086 nan 4.420 nan 0.000 0.222 213 P C 0.902 178.159 177.300 -0.071 0.000 1.147 213 P CA 0.775 63.828 63.100 -0.078 0.000 0.790 213 P CB 0.515 32.159 31.700 -0.094 0.000 0.780 214 L N -1.226 119.982 121.223 -0.024 0.000 2.592 214 L HA 0.238 4.584 4.340 0.010 0.000 0.227 214 L C 1.435 178.346 176.870 0.068 0.000 1.127 214 L CA -0.277 54.562 54.840 -0.003 0.000 0.884 214 L CB -0.729 41.333 42.059 0.004 0.000 1.065 214 L HN -0.072 nan 8.230 nan 0.000 0.457 215 G N -0.141 108.735 108.800 0.126 0.000 2.353 215 G HA2 0.189 4.155 3.960 0.010 0.000 0.239 215 G HA3 0.189 4.155 3.960 0.010 0.000 0.239 215 G C 1.001 176.088 174.900 0.312 0.000 1.295 215 G CA 0.169 45.431 45.100 0.271 0.000 0.884 215 G HN 0.309 nan 8.290 nan 0.000 0.537 216 G N 0.967 109.957 108.800 0.316 0.000 2.920 216 G HA2 0.184 4.150 3.960 0.010 0.000 0.208 216 G HA3 0.184 4.150 3.960 0.010 0.000 0.208 216 G C 0.350 175.455 174.900 0.342 0.000 1.159 216 G CA -0.023 45.306 45.100 0.381 0.000 0.784 216 G HN 0.540 nan 8.290 nan 0.000 0.535 217 E N 0.342 120.751 120.200 0.348 0.000 2.073 217 E HA 0.537 4.893 4.350 0.010 0.000 0.269 217 E C -0.937 175.875 176.600 0.353 0.000 0.917 217 E CA -0.641 55.891 56.400 0.219 0.000 0.757 217 E CB 0.751 30.504 29.700 0.088 0.000 1.111 217 E HN 0.484 nan 8.360 nan 0.000 0.410 218 Y N 0.323 120.758 120.300 0.224 0.000 2.677 218 Y HA 0.831 5.386 4.550 0.010 0.000 0.334 218 Y C -1.327 174.738 175.900 0.275 0.000 1.196 218 Y CA -1.708 56.523 58.100 0.218 0.000 1.059 218 Y CB 0.755 39.326 38.460 0.186 0.000 1.315 218 Y HN 0.359 nan 8.280 nan 0.000 0.455 219 A N 1.221 124.248 122.820 0.344 0.000 2.435 219 A HA 1.038 5.364 4.320 0.010 0.000 0.304 219 A C -1.233 176.527 177.584 0.292 0.000 1.064 219 A CA -0.279 51.892 52.037 0.223 0.000 0.727 219 A CB 1.394 20.463 19.000 0.115 0.000 1.284 219 A HN 1.969 nan 8.150 nan 0.000 0.415 220 A N 0.366 123.344 122.820 0.264 0.000 2.609 220 A HA 0.856 5.182 4.320 0.010 0.000 0.291 220 A C -0.015 177.682 177.584 0.188 0.000 1.096 220 A CA 0.082 52.274 52.037 0.258 0.000 0.684 220 A CB 0.587 19.799 19.000 0.353 0.000 1.282 220 A HN 2.000 nan 8.150 nan 0.000 0.412 221 T N -1.263 113.398 114.554 0.179 0.000 2.918 221 T HA 0.324 4.680 4.350 0.010 0.000 0.302 221 T C 1.094 175.888 174.700 0.158 0.000 1.045 221 T CA 0.168 62.353 62.100 0.143 0.000 1.114 221 T CB 0.901 69.866 68.868 0.163 0.000 0.965 221 T HN 0.826 nan 8.240 nan 0.000 0.540 222 R N 1.332 121.898 120.500 0.110 0.000 2.091 222 R HA -0.113 4.233 4.340 0.010 0.000 0.238 222 R C 2.719 179.084 176.300 0.109 0.000 1.136 222 R CA 2.052 58.213 56.100 0.101 0.000 0.959 222 R CB -1.076 29.255 30.300 0.050 0.000 0.856 222 R HN 0.924 nan 8.270 nan 0.000 0.437 223 E N 1.080 121.343 120.200 0.104 0.000 2.085 223 E HA -0.214 4.142 4.350 0.010 0.000 0.194 223 E C 1.759 178.423 176.600 0.106 0.000 0.994 223 E CA 1.490 57.946 56.400 0.095 0.000 0.801 223 E CB -0.820 28.936 29.700 0.094 0.000 0.743 223 E HN 0.367 nan 8.360 nan 0.000 0.453 224 L N -0.143 121.164 121.223 0.141 0.000 2.005 224 L HA 0.030 4.377 4.340 0.010 0.000 0.207 224 L C 2.589 179.571 176.870 0.187 0.000 1.072 224 L CA 1.776 56.697 54.840 0.134 0.000 0.744 224 L CB -0.414 41.739 42.059 0.157 0.000 0.895 224 L HN 0.392 nan 8.230 nan 0.000 0.433 225 L N -0.592 120.778 121.223 0.244 0.000 2.079 225 L HA -0.199 4.148 4.340 0.010 0.000 0.210 225 L C 2.294 179.348 176.870 0.306 0.000 1.081 225 L CA 1.850 56.909 54.840 0.365 0.000 0.752 225 L CB -1.060 41.237 42.059 0.398 0.000 0.896 225 L HN 0.543 nan 8.230 nan 0.000 0.433 226 T N -5.896 108.760 114.554 0.170 0.000 3.129 226 T HA 0.044 4.400 4.350 0.010 0.000 0.251 226 T C 1.537 176.312 174.700 0.125 0.000 1.117 226 T CA 0.576 62.737 62.100 0.102 0.000 1.034 226 T CB 0.189 69.078 68.868 0.034 0.000 0.968 226 T HN 0.085 nan 8.240 nan 0.000 0.526 227 S N 0.787 116.571 115.700 0.141 0.000 2.540 227 S HA 0.359 4.835 4.470 0.010 0.000 0.218 227 S C 0.605 175.282 174.600 0.128 0.000 0.977 227 S CA -0.248 58.018 58.200 0.110 0.000 0.918 227 S CB 0.340 63.582 63.200 0.070 0.000 0.806 227 S HN 0.668 nan 8.310 nan 0.000 0.496 228 V N 0.003 120.035 119.914 0.198 0.000 2.815 228 V HA 0.708 4.834 4.120 0.010 0.000 0.314 228 V C -3.039 173.229 176.094 0.289 0.000 1.064 228 V CA -2.977 59.441 62.300 0.196 0.000 0.952 228 V CB 1.612 33.533 31.823 0.163 0.000 1.020 228 V HN -0.158 nan 8.190 nan 0.000 0.439 229 P HA 0.332 nan 4.420 nan 0.000 0.272 229 P C -1.256 176.230 177.300 0.310 0.000 1.230 229 P CA 0.009 63.223 63.100 0.189 0.000 0.788 229 P CB 0.437 32.170 31.700 0.056 0.000 0.949 230 F N 0.428 120.330 119.950 -0.080 0.000 2.427 230 F HA 0.490 5.023 4.527 0.010 0.000 0.346 230 F C 0.871 176.596 175.800 -0.125 0.000 1.120 230 F CA -0.874 57.091 58.000 -0.058 0.000 1.033 230 F CB 1.016 40.024 39.000 0.012 0.000 1.126 230 F HN 0.317 nan 8.300 nan 0.000 0.462 231 A N 6.318 129.104 122.820 -0.056 0.000 2.425 231 A HA 0.534 4.860 4.320 0.010 0.000 0.242 231 A C -2.360 175.204 177.584 -0.033 0.000 1.077 231 A CA -1.109 50.891 52.037 -0.062 0.000 0.781 231 A CB -0.428 18.519 19.000 -0.088 0.000 1.020 231 A HN 0.440 nan 8.150 nan 0.000 0.494 232 P HA 0.431 nan 4.420 nan 0.000 0.279 232 P C 0.843 178.111 177.300 -0.053 0.000 1.252 232 P CA 1.114 64.187 63.100 -0.045 0.000 0.811 232 P CB 0.961 32.627 31.700 -0.057 0.000 1.035 233 G N 1.562 110.310 108.800 -0.088 0.000 2.596 233 G HA2 -0.334 3.632 3.960 0.010 0.000 0.295 233 G HA3 -0.334 3.632 3.960 0.010 0.000 0.295 233 G C 0.406 175.193 174.900 -0.189 0.000 1.240 233 G CA 0.405 45.375 45.100 -0.216 0.000 0.985 233 G HN 0.532 nan 8.290 nan 0.000 0.555 234 Y N 2.256 122.551 120.300 -0.010 0.000 2.553 234 Y HA 0.266 4.823 4.550 0.012 0.000 0.303 234 Y C 2.670 178.546 175.900 -0.040 0.000 1.194 234 Y CA 0.391 58.479 58.100 -0.020 0.000 1.305 234 Y CB 0.010 38.449 38.460 -0.036 0.000 1.045 234 Y HN 0.567 nan 8.280 nan 0.000 0.514 235 G N -0.912 107.927 108.800 0.065 0.000 2.813 235 G HA2 -0.123 3.843 3.960 0.010 0.000 0.209 235 G HA3 -0.123 3.843 3.960 0.010 0.000 0.209 235 G C 1.615 176.483 174.900 -0.053 0.000 1.150 235 G CA 0.458 45.559 45.100 0.001 0.000 0.785 235 G HN 0.336 nan 8.290 nan 0.000 0.535 236 V N 0.668 120.553 119.914 -0.047 0.000 2.287 236 V HA -0.181 3.945 4.120 0.010 0.000 0.248 236 V C 2.699 178.644 176.094 -0.248 0.000 1.053 236 V CA 2.877 65.090 62.300 -0.145 0.000 1.027 236 V CB -0.163 31.619 31.823 -0.069 0.000 0.646 236 V HN 0.442 nan 8.190 nan 0.000 0.447 237 E N 0.017 120.104 120.200 -0.188 0.000 2.051 237 E HA -0.184 4.172 4.350 0.010 0.000 0.192 237 E C 2.012 178.438 176.600 -0.290 0.000 0.991 237 E CA 1.918 58.123 56.400 -0.324 0.000 0.799 237 E CB -0.365 29.202 29.700 -0.222 0.000 0.748 237 E HN 0.703 nan 8.360 nan 0.000 0.449 238 I N 0.256 120.719 120.570 -0.178 0.000 2.394 238 I HA -0.151 4.026 4.170 0.010 0.000 0.251 238 I C 2.077 178.103 176.117 -0.152 0.000 1.136 238 I CA 1.226 62.437 61.300 -0.150 0.000 1.425 238 I CB -0.244 37.697 38.000 -0.099 0.000 1.079 238 I HN 0.198 nan 8.210 nan 0.000 0.425 239 G N 0.960 109.661 108.800 -0.164 0.000 2.446 239 G HA2 -0.315 3.651 3.960 0.010 0.000 0.217 239 G HA3 -0.315 3.651 3.960 0.010 0.000 0.217 239 G C 1.556 176.342 174.900 -0.190 0.000 1.168 239 G CA 1.034 46.038 45.100 -0.160 0.000 0.771 239 G HN 0.387 nan 8.290 nan 0.000 0.551 240 L N 0.149 121.199 121.223 -0.288 0.000 2.056 240 L HA 0.103 4.449 4.340 0.010 0.000 0.207 240 L C 2.527 179.298 176.870 -0.166 0.000 1.078 240 L CA 1.578 56.251 54.840 -0.278 0.000 0.749 240 L CB -0.648 41.169 42.059 -0.402 0.000 0.901 240 L HN 0.204 nan 8.230 nan 0.000 0.433 241 L N -1.123 119.989 121.223 -0.185 0.000 1.989 241 L HA -0.166 4.180 4.340 0.010 0.000 0.211 241 L C 2.352 179.200 176.870 -0.036 0.000 1.071 241 L CA 2.062 56.831 54.840 -0.118 0.000 0.749 241 L CB -0.771 41.199 42.059 -0.149 0.000 0.890 241 L HN 0.112 nan 8.230 nan 0.000 0.431 242 V N -0.139 119.748 119.914 -0.044 0.000 2.427 242 V HA -0.243 3.883 4.120 0.010 0.000 0.248 242 V C 2.278 178.413 176.094 0.069 0.000 1.051 242 V CA 1.804 64.122 62.300 0.031 0.000 1.048 242 V CB -0.861 30.958 31.823 -0.008 0.000 0.666 242 V HN 0.457 nan 8.190 nan 0.000 0.456 243 D N 0.070 120.471 120.400 0.003 0.000 2.117 243 D HA -0.136 4.510 4.640 0.010 0.000 0.197 243 D C 2.295 178.598 176.300 0.005 0.000 0.987 243 D CA 1.895 55.895 54.000 -0.001 0.000 0.829 243 D CB -0.362 40.426 40.800 -0.020 0.000 0.961 243 D HN 0.396 nan 8.370 nan 0.000 0.460 244 T N 0.640 115.202 114.554 0.014 0.000 2.708 244 T HA -0.151 4.205 4.350 0.010 0.000 0.266 244 T C 1.720 176.435 174.700 0.026 0.000 1.037 244 T CA 0.738 62.848 62.100 0.017 0.000 1.146 244 T CB -0.515 68.374 68.868 0.035 0.000 0.865 244 T HN 0.114 nan 8.240 nan 0.000 0.435 245 F N 2.655 122.567 119.950 -0.064 0.000 2.095 245 F HA -0.172 4.361 4.527 0.011 0.000 0.298 245 F C 1.857 177.622 175.800 -0.059 0.000 1.104 245 F CA 1.512 59.472 58.000 -0.067 0.000 1.232 245 F CB -0.493 38.461 39.000 -0.077 0.000 0.987 245 F HN 0.050 nan 8.300 nan 0.000 0.475 246 D N -0.124 120.189 120.400 -0.145 0.000 2.178 246 D HA -0.122 4.524 4.640 0.010 0.000 0.201 246 D C 2.383 178.542 176.300 -0.235 0.000 0.980 246 D CA 1.245 55.109 54.000 -0.227 0.000 0.842 246 D CB -0.221 40.554 40.800 -0.041 0.000 0.948 246 D HN 0.395 nan 8.370 nan 0.000 0.472 247 R N -0.707 119.693 120.500 -0.167 0.000 2.156 247 R HA 0.254 4.600 4.340 0.010 0.000 0.207 247 R C 1.698 177.899 176.300 -0.164 0.000 1.040 247 R CA 0.373 56.390 56.100 -0.138 0.000 1.013 247 R CB 0.416 30.664 30.300 -0.088 0.000 0.931 247 R HN 0.158 nan 8.270 nan 0.000 0.465 248 L N -0.854 120.261 121.223 -0.180 0.000 2.920 248 L HA 0.357 4.703 4.340 0.010 0.000 0.257 248 L C 0.585 177.357 176.870 -0.162 0.000 1.150 248 L CA -0.074 54.670 54.840 -0.160 0.000 0.959 248 L CB 0.977 42.943 42.059 -0.155 0.000 1.321 248 L HN 0.272 nan 8.230 nan 0.000 0.555 249 G N 0.622 109.255 108.800 -0.279 0.000 2.829 249 G HA2 -0.285 3.682 3.960 0.010 0.000 0.628 249 G HA3 -0.285 3.682 3.960 0.010 0.000 0.628 249 G C 0.089 174.970 174.900 -0.032 0.000 1.412 249 G CA -0.163 44.756 45.100 -0.301 0.000 0.864 249 G HN -0.023 nan 8.290 nan 0.000 0.544 250 L N 0.076 121.367 121.223 0.114 0.000 2.131 250 L HA 0.074 4.420 4.340 0.010 0.000 0.210 250 L C 2.385 179.263 176.870 0.014 0.000 1.092 250 L CA 2.792 57.720 54.840 0.146 0.000 0.759 250 L CB -0.651 41.474 42.059 0.111 0.000 0.903 250 L HN 0.626 nan 8.230 nan 0.000 0.435 251 D N -0.448 119.950 120.400 -0.004 0.000 2.265 251 D HA -0.117 4.529 4.640 0.010 0.000 0.208 251 D C 1.997 178.311 176.300 0.024 0.000 0.977 251 D CA 1.198 55.191 54.000 -0.011 0.000 0.871 251 D CB -0.022 40.774 40.800 -0.007 0.000 0.925 251 D HN 0.445 nan 8.370 nan 0.000 0.485 252 A N -0.348 122.506 122.820 0.057 0.000 2.251 252 A HA 0.185 4.511 4.320 0.010 0.000 0.209 252 A C 0.776 178.424 177.584 0.107 0.000 1.187 252 A CA 0.023 52.144 52.037 0.140 0.000 0.823 252 A CB -0.019 19.071 19.000 0.150 0.000 0.846 252 A HN 0.136 nan 8.150 nan 0.000 0.486 253 I N 0.252 120.848 120.570 0.043 0.000 2.436 253 I HA 0.561 4.737 4.170 0.010 0.000 0.289 253 I C 0.150 176.247 176.117 -0.033 0.000 1.010 253 I CA -0.509 60.803 61.300 0.020 0.000 1.098 253 I CB 1.929 39.931 38.000 0.002 0.000 1.266 253 I HN 0.127 nan 8.210 nan 0.000 0.434 254 A N 5.944 128.764 122.820 -0.000 0.000 2.350 254 A HA 0.805 5.131 4.320 0.010 0.000 0.318 254 A C -0.920 176.682 177.584 0.030 0.000 1.132 254 A CA -0.581 51.447 52.037 -0.014 0.000 0.811 254 A CB 1.570 20.589 19.000 0.031 0.000 1.313 254 A HN 0.703 nan 8.150 nan 0.000 0.454 255 Q N -0.056 119.781 119.800 0.062 0.000 2.356 255 Q HA 0.566 4.912 4.340 0.010 0.000 0.270 255 Q C -1.192 174.980 176.000 0.288 0.000 1.058 255 Q CA -0.903 55.023 55.803 0.206 0.000 0.802 255 Q CB 2.544 31.445 28.738 0.271 0.000 1.303 255 Q HN 0.769 nan 8.270 nan 0.000 0.444 256 V N -0.300 119.743 119.914 0.215 0.000 2.540 256 V HA 0.513 4.639 4.120 0.010 0.000 0.302 256 V C -0.482 175.386 176.094 -0.377 0.000 1.035 256 V CA -1.080 61.247 62.300 0.046 0.000 0.873 256 V CB 1.723 33.587 31.823 0.070 0.000 0.992 256 V HN 0.667 nan 8.190 nan 0.000 0.428 257 N N 3.466 121.768 118.700 -0.663 0.000 2.431 257 N HA 0.282 5.028 4.740 0.010 0.000 0.265 257 N C 0.490 175.588 175.510 -0.687 0.000 1.184 257 N CA -0.149 52.196 53.050 -1.175 0.000 0.943 257 N CB 0.847 38.855 38.487 -0.797 0.000 1.080 257 N HN 0.860 nan 8.380 nan 0.000 0.477 258 L N 2.533 123.451 121.223 -0.508 0.000 2.567 258 L HA 0.246 4.592 4.340 0.010 0.000 0.225 258 L C 1.555 178.380 176.870 -0.075 0.000 1.119 258 L CA 0.262 54.948 54.840 -0.257 0.000 0.871 258 L CB -0.858 40.957 42.059 -0.406 0.000 1.036 258 L HN 0.815 nan 8.230 nan 0.000 0.459 259 G N 0.368 109.070 108.800 -0.164 0.000 2.509 259 G HA2 -0.279 3.687 3.960 0.010 0.000 0.259 259 G HA3 -0.279 3.687 3.960 0.010 0.000 0.259 259 G C -0.156 174.806 174.900 0.103 0.000 1.169 259 G CA -0.311 44.769 45.100 -0.033 0.000 0.953 259 G HN -0.080 nan 8.290 nan 0.000 0.563 260 V N 2.175 122.180 119.914 0.151 0.000 2.488 260 V HA 0.569 4.695 4.120 0.010 0.000 0.277 260 V C 0.866 177.093 176.094 0.221 0.000 1.046 260 V CA 0.480 62.879 62.300 0.164 0.000 0.986 260 V CB 1.323 33.225 31.823 0.132 0.000 0.989 260 V HN 0.808 nan 8.190 nan 0.000 0.475 261 R N 3.961 124.549 120.500 0.147 0.000 2.435 261 R HA 0.387 4.734 4.340 0.010 0.000 0.308 261 R C -0.553 175.749 176.300 0.003 0.000 0.975 261 R CA -0.439 55.715 56.100 0.090 0.000 0.867 261 R CB 1.339 31.505 30.300 -0.225 0.000 1.171 261 R HN 0.877 nan 8.270 nan 0.000 0.470 262 E N 3.174 123.424 120.200 0.083 0.000 2.248 262 E HA 0.232 4.588 4.350 0.010 0.000 0.272 262 E C -1.010 175.689 176.600 0.166 0.000 1.008 262 E CA -0.408 56.052 56.400 0.099 0.000 0.856 262 E CB 1.106 30.869 29.700 0.105 0.000 1.120 262 E HN 0.796 nan 8.360 nan 0.000 0.397 263 H N 0.338 119.419 119.070 0.019 0.000 2.948 263 H HA 0.425 4.987 4.556 0.009 0.000 0.315 263 H C -0.872 174.468 175.328 0.021 0.000 1.360 263 H CA -1.357 54.702 56.048 0.018 0.000 1.125 263 H CB 0.826 30.589 29.762 0.001 0.000 1.844 263 H HN 0.453 nan 8.280 nan 0.000 0.529 264 R N 1.323 121.720 120.500 -0.172 0.000 2.490 264 R HA 0.232 4.578 4.340 0.010 0.000 0.278 264 R C -1.165 174.875 176.300 -0.434 0.000 1.069 264 R CA -0.562 55.413 56.100 -0.208 0.000 1.080 264 R CB 0.330 30.570 30.300 -0.100 0.000 1.030 264 R HN 0.674 nan 8.270 nan 0.000 0.491 265 N N 0.567 119.133 118.700 -0.223 0.000 2.452 265 N HA 0.084 4.831 4.740 0.010 0.000 0.266 265 N C -0.209 175.208 175.510 -0.155 0.000 1.209 265 N CA -0.022 52.921 53.050 -0.178 0.000 0.929 265 N CB 0.713 39.164 38.487 -0.060 0.000 1.063 265 N HN 0.687 nan 8.380 nan 0.000 0.472 266 R N 2.996 123.400 120.500 -0.160 0.000 2.442 266 R HA 0.203 4.549 4.340 0.010 0.000 0.291 266 R C -2.220 174.048 176.300 -0.052 0.000 1.069 266 R CA -1.354 54.688 56.100 -0.097 0.000 1.022 266 R CB -0.939 29.296 30.300 -0.109 0.000 0.976 266 R HN 0.508 nan 8.270 nan 0.000 0.443 267 P HA 0.097 nan 4.420 nan 0.000 0.268 267 P C 0.493 177.795 177.300 0.002 0.000 1.205 267 P CA -0.388 62.717 63.100 0.009 0.000 0.771 267 P CB 0.669 32.397 31.700 0.046 0.000 0.858 268 L N 2.034 123.267 121.223 0.017 0.000 2.131 268 L HA -0.202 4.144 4.340 0.010 0.000 0.210 268 L C 2.532 179.418 176.870 0.027 0.000 1.092 268 L CA 1.795 56.644 54.840 0.014 0.000 0.759 268 L CB -0.879 41.197 42.059 0.029 0.000 0.903 268 L HN 0.425 nan 8.230 nan 0.000 0.435 269 A N -0.170 122.701 122.820 0.084 0.000 2.024 269 A HA -0.217 4.109 4.320 0.010 0.000 0.220 269 A C 2.093 179.721 177.584 0.073 0.000 1.164 269 A CA 1.592 53.734 52.037 0.175 0.000 0.643 269 A CB -0.361 18.819 19.000 0.300 0.000 0.806 269 A HN 0.484 nan 8.150 nan 0.000 0.451 270 E N -0.369 119.788 120.200 -0.072 0.000 2.435 270 E HA 0.063 4.419 4.350 0.010 0.000 0.195 270 E C 1.590 177.931 176.600 -0.432 0.000 1.029 270 E CA 0.022 56.201 56.400 -0.369 0.000 0.865 270 E CB -0.110 29.489 29.700 -0.167 0.000 0.833 270 E HN 0.637 nan 8.360 nan 0.000 0.510 271 L N 0.094 121.161 121.223 -0.261 0.000 2.093 271 L HA -0.083 4.263 4.340 0.010 0.000 0.208 271 L C 2.505 179.227 176.870 -0.246 0.000 1.085 271 L CA 1.162 55.867 54.840 -0.225 0.000 0.755 271 L CB -0.662 41.322 42.059 -0.126 0.000 0.904 271 L HN 0.237 nan 8.230 nan 0.000 0.435 272 G N -0.088 108.553 108.800 -0.265 0.000 2.421 272 G HA2 -0.255 3.712 3.960 0.010 0.000 0.216 272 G HA3 -0.255 3.712 3.960 0.010 0.000 0.216 272 G C 1.795 176.487 174.900 -0.347 0.000 1.171 272 G CA 0.847 45.804 45.100 -0.239 0.000 0.775 272 G HN 0.457 nan 8.290 nan 0.000 0.543 273 A N 0.425 122.829 122.820 -0.694 0.000 1.902 273 A HA 0.009 4.335 4.320 0.010 0.000 0.217 273 A C 2.351 179.787 177.584 -0.247 0.000 1.181 273 A CA 1.944 53.612 52.037 -0.614 0.000 0.623 273 A CB -0.402 17.934 19.000 -1.107 0.000 0.818 273 A HN 0.418 nan 8.150 nan 0.000 0.443 274 M N -0.338 119.113 119.600 -0.249 0.000 2.086 274 M HA -0.149 4.338 4.480 0.010 0.000 0.261 274 M C 2.233 178.477 176.300 -0.094 0.000 1.067 274 M CA 2.109 57.328 55.300 -0.134 0.000 1.116 274 M CB -0.174 32.206 32.600 -0.367 0.000 1.348 274 M HN 0.398 nan 8.290 nan 0.000 0.407 275 S N 0.300 115.923 115.700 -0.129 0.000 2.359 275 S HA -0.210 4.266 4.470 0.010 0.000 0.224 275 S C 1.784 176.350 174.600 -0.058 0.000 1.035 275 S CA 1.787 59.936 58.200 -0.085 0.000 1.018 275 S CB -0.506 62.642 63.200 -0.086 0.000 0.876 275 S HN 0.447 nan 8.310 nan 0.000 0.448 276 R N 1.562 122.022 120.500 -0.065 0.000 2.105 276 R HA -0.094 4.252 4.340 0.010 0.000 0.239 276 R C 2.271 178.561 176.300 -0.017 0.000 1.135 276 R CA 1.736 57.814 56.100 -0.036 0.000 0.967 276 R CB -0.709 29.570 30.300 -0.035 0.000 0.861 276 R HN 0.302 nan 8.270 nan 0.000 0.442 277 Q N -0.470 119.327 119.800 -0.005 0.000 2.123 277 Q HA 0.013 4.359 4.340 0.010 0.000 0.199 277 Q C 1.941 177.946 176.000 0.007 0.000 0.966 277 Q CA 1.674 57.486 55.803 0.016 0.000 0.845 277 Q CB -0.160 28.614 28.738 0.060 0.000 0.907 277 Q HN 0.229 nan 8.270 nan 0.000 0.439 278 V N 0.498 120.413 119.914 0.003 0.000 2.287 278 V HA -0.279 3.847 4.120 0.010 0.000 0.248 278 V C 2.214 178.293 176.094 -0.025 0.000 1.053 278 V CA 1.896 64.187 62.300 -0.015 0.000 1.027 278 V CB -0.542 31.264 31.823 -0.028 0.000 0.646 278 V HN 0.382 nan 8.190 nan 0.000 0.447 279 I N 0.253 120.809 120.570 -0.024 0.000 2.179 279 I HA -0.263 3.913 4.170 0.010 0.000 0.242 279 I C 2.675 178.780 176.117 -0.020 0.000 1.088 279 I CA 1.581 62.867 61.300 -0.023 0.000 1.357 279 I CB -0.618 37.370 38.000 -0.021 0.000 1.051 279 I HN 0.291 nan 8.210 nan 0.000 0.409 280 A N 0.182 122.993 122.820 -0.016 0.000 1.883 280 A HA -0.237 4.089 4.320 0.010 0.000 0.217 280 A C 2.393 179.965 177.584 -0.021 0.000 1.186 280 A CA 2.639 54.667 52.037 -0.015 0.000 0.624 280 A CB -1.189 17.805 19.000 -0.011 0.000 0.822 280 A HN 0.396 nan 8.150 nan 0.000 0.444 281 T N 0.030 114.569 114.554 -0.025 0.000 2.708 281 T HA -0.080 4.276 4.350 0.010 0.000 0.266 281 T C 1.855 176.534 174.700 -0.036 0.000 1.037 281 T CA 1.299 63.379 62.100 -0.034 0.000 1.146 281 T CB -0.316 68.528 68.868 -0.040 0.000 0.865 281 T HN 0.333 nan 8.240 nan 0.000 0.435 282 L N 0.514 121.716 121.223 -0.036 0.000 2.027 282 L HA -0.015 4.331 4.340 0.010 0.000 0.206 282 L C 2.403 179.256 176.870 -0.028 0.000 1.074 282 L CA 1.284 56.102 54.840 -0.037 0.000 0.745 282 L CB -0.395 41.638 42.059 -0.043 0.000 0.898 282 L HN 0.314 nan 8.230 nan 0.000 0.433 283 L N -0.483 120.726 121.223 -0.024 0.000 2.012 283 L HA -0.275 4.071 4.340 0.010 0.000 0.210 283 L C 2.901 179.761 176.870 -0.017 0.000 1.073 283 L CA 1.694 56.523 54.840 -0.018 0.000 0.748 283 L CB -0.821 41.229 42.059 -0.015 0.000 0.891 283 L HN 0.430 nan 8.230 nan 0.000 0.431 284 S N -0.030 115.659 115.700 -0.019 0.000 2.365 284 S HA -0.222 4.254 4.470 0.010 0.000 0.225 284 S C 2.174 176.764 174.600 -0.017 0.000 1.039 284 S CA 0.974 59.163 58.200 -0.019 0.000 1.033 284 S CB -0.304 62.882 63.200 -0.023 0.000 0.887 284 S HN 0.299 nan 8.310 nan 0.000 0.447 285 R N 0.525 121.013 120.500 -0.019 0.000 2.148 285 R HA 0.155 4.501 4.340 0.010 0.000 0.227 285 R C 2.143 178.441 176.300 -0.004 0.000 1.103 285 R CA 0.915 57.007 56.100 -0.013 0.000 0.983 285 R CB -1.905 28.385 30.300 -0.017 0.000 0.874 285 R HN 0.553 nan 8.270 nan 0.000 0.451 286 C N -0.351 118.945 119.300 -0.006 0.000 2.697 286 C HA 0.297 4.763 4.460 0.010 0.000 0.267 286 C C 1.360 176.349 174.990 -0.003 0.000 1.278 286 C CA 0.224 59.242 59.018 -0.001 0.000 1.708 286 C CB -0.817 26.920 27.740 -0.005 0.000 1.860 286 C HN 0.705 nan 8.230 nan 0.000 0.589 287 G N 1.278 110.075 108.800 -0.006 0.000 2.147 287 G HA2 -0.251 3.715 3.960 0.010 0.000 0.244 287 G HA3 -0.251 3.715 3.960 0.010 0.000 0.244 287 G C -0.177 174.719 174.900 -0.007 0.000 1.005 287 G CA -0.088 45.009 45.100 -0.006 0.000 0.713 287 G HN 0.570 nan 8.290 nan 0.000 0.515 288 I N 1.195 121.760 120.570 -0.008 0.000 2.339 288 I HA 0.342 4.518 4.170 0.010 0.000 0.290 288 I C -2.126 173.985 176.117 -0.008 0.000 0.994 288 I CA -2.587 58.708 61.300 -0.008 0.000 1.191 288 I CB 1.932 39.927 38.000 -0.009 0.000 1.343 288 I HN -0.174 nan 8.210 nan 0.000 0.458 289 P HA 0.032 nan 4.420 nan 0.000 0.270 289 P C -0.855 176.441 177.300 -0.006 0.000 1.242 289 P CA -0.084 63.012 63.100 -0.007 0.000 0.768 289 P CB 0.406 32.103 31.700 -0.005 0.000 0.820 290 D N 2.115 122.511 120.400 -0.007 0.000 2.210 290 D HA 0.027 4.673 4.640 0.010 0.000 0.249 290 D C 1.087 177.385 176.300 -0.003 0.000 1.062 290 D CA -0.137 53.860 54.000 -0.005 0.000 0.891 290 D CB 1.329 42.124 40.800 -0.008 0.000 1.186 290 D HN 0.262 nan 8.370 nan 0.000 0.432 291 S N 2.404 118.104 115.700 0.000 0.000 2.442 291 S HA -0.027 4.449 4.470 0.010 0.000 0.236 291 S C 1.721 176.323 174.600 0.003 0.000 1.007 291 S CA 0.996 59.197 58.200 0.002 0.000 0.965 291 S CB -0.419 62.785 63.200 0.006 0.000 0.773 291 S HN 0.936 nan 8.310 nan 0.000 0.504 292 G N 0.121 108.922 108.800 0.002 0.000 2.168 292 G HA2 -0.253 3.713 3.960 0.010 0.000 0.263 292 G HA3 -0.253 3.713 3.960 0.010 0.000 0.263 292 G C 0.077 174.982 174.900 0.008 0.000 0.977 292 G CA 0.244 45.345 45.100 0.003 0.000 0.659 292 G HN 0.776 nan 8.290 nan 0.000 0.533 293 V N 1.335 121.256 119.914 0.011 0.000 2.461 293 V HA 0.610 4.736 4.120 0.010 0.000 0.275 293 V C 1.436 177.543 176.094 0.023 0.000 1.047 293 V CA 0.022 62.332 62.300 0.016 0.000 0.955 293 V CB 1.123 32.957 31.823 0.018 0.000 0.988 293 V HN 0.648 nan 8.190 nan 0.000 0.471 294 G N 3.709 112.526 108.800 0.028 0.000 2.636 294 G HA2 0.365 4.331 3.960 0.010 0.000 0.246 294 G HA3 0.365 4.331 3.960 0.010 0.000 0.246 294 G C -0.439 174.490 174.900 0.048 0.000 1.216 294 G CA -0.565 44.562 45.100 0.044 0.000 0.854 294 G HN 0.669 nan 8.290 nan 0.000 0.572 295 L N 0.708 121.973 121.223 0.070 0.000 2.462 295 L HA 0.322 4.668 4.340 0.010 0.000 0.272 295 L C 0.603 177.518 176.870 0.075 0.000 1.166 295 L CA 0.319 55.205 54.840 0.076 0.000 0.880 295 L CB 0.462 42.567 42.059 0.076 0.000 1.142 295 L HN 0.338 nan 8.230 nan 0.000 0.473 296 T N 5.787 120.349 114.554 0.013 0.000 2.733 296 T HA 0.348 4.704 4.350 0.010 0.000 0.294 296 T C -0.241 174.367 174.700 -0.155 0.000 0.956 296 T CA -0.331 61.689 62.100 -0.133 0.000 0.987 296 T CB 0.514 69.258 68.868 -0.207 0.000 0.920 296 T HN 0.632 nan 8.240 nan 0.000 0.470 297 Q N 2.130 121.844 119.800 -0.143 0.000 2.230 297 Q HA 0.446 4.792 4.340 0.010 0.000 0.253 297 Q C -1.025 174.831 176.000 -0.239 0.000 0.919 297 Q CA -0.516 55.271 55.803 -0.027 0.000 0.908 297 Q CB 1.422 30.274 28.738 0.191 0.000 1.245 297 Q HN 0.567 nan 8.270 nan 0.000 0.437 298 F N 1.322 121.359 119.950 0.144 0.000 2.325 298 F HA 0.278 4.810 4.527 0.009 0.000 0.369 298 F C -0.352 175.645 175.800 0.330 0.000 1.095 298 F CA -0.792 57.318 58.000 0.183 0.000 1.082 298 F CB 1.080 40.088 39.000 0.013 0.000 1.289 298 F HN 0.167 nan 8.300 nan 0.000 0.462 299 V N 3.674 123.820 119.914 0.386 0.000 2.383 299 V HA 0.547 4.674 4.120 0.010 0.000 0.275 299 V C 0.499 176.693 176.094 0.167 0.000 1.036 299 V CA -1.047 61.414 62.300 0.269 0.000 0.889 299 V CB 0.982 32.898 31.823 0.155 0.000 0.985 299 V HN 0.800 nan 8.190 nan 0.000 0.459 300 A N 3.358 126.182 122.820 0.006 0.000 2.520 300 A HA 0.177 4.504 4.320 0.010 0.000 0.245 300 A C 0.964 178.413 177.584 -0.224 0.000 1.072 300 A CA -0.208 51.572 52.037 -0.428 0.000 0.761 300 A CB -0.030 18.762 19.000 -0.346 0.000 1.004 300 A HN 0.859 nan 8.150 nan 0.000 0.499 301 D N 1.274 121.520 120.400 -0.257 0.000 2.317 301 D HA 0.204 4.850 4.640 0.010 0.000 0.211 301 D C 0.889 177.129 176.300 -0.100 0.000 0.966 301 D CA 1.720 55.646 54.000 -0.123 0.000 0.876 301 D CB 0.341 41.086 40.800 -0.091 0.000 0.927 301 D HN 0.757 nan 8.370 nan 0.000 0.519 302 G N -0.086 108.636 108.800 -0.131 0.000 2.623 302 G HA2 0.326 4.292 3.960 0.010 0.000 0.290 302 G HA3 0.326 4.292 3.960 0.010 0.000 0.290 302 G C -2.156 172.692 174.900 -0.087 0.000 1.437 302 G CA -0.801 44.247 45.100 -0.087 0.000 0.798 302 G HN -0.285 nan 8.290 nan 0.000 0.488 303 P HA -0.025 nan 4.420 nan 0.000 0.220 303 P C 0.902 178.182 177.300 -0.033 0.000 1.148 303 P CA 0.968 64.047 63.100 -0.034 0.000 0.803 303 P CB 0.421 32.110 31.700 -0.018 0.000 0.782 304 E N -0.490 119.687 120.200 -0.038 0.000 2.427 304 E HA 0.058 4.414 4.350 0.010 0.000 0.196 304 E C 1.377 177.958 176.600 -0.031 0.000 1.028 304 E CA 0.798 57.184 56.400 -0.024 0.000 0.864 304 E CB -0.713 28.977 29.700 -0.016 0.000 0.813 304 E HN 0.343 nan 8.360 nan 0.000 0.514 305 G N 2.282 111.025 108.800 -0.095 0.000 2.273 305 G HA2 -0.359 3.608 3.960 0.010 0.000 0.280 305 G HA3 -0.359 3.608 3.960 0.010 0.000 0.280 305 G C 0.665 175.529 174.900 -0.060 0.000 1.047 305 G CA 0.722 45.727 45.100 -0.159 0.000 0.869 305 G HN 0.352 nan 8.290 nan 0.000 0.502 306 Q N -0.608 119.148 119.800 -0.074 0.000 2.424 306 Q HA 0.251 4.598 4.340 0.010 0.000 0.204 306 Q C 1.244 177.255 176.000 0.018 0.000 0.933 306 Q CA 1.066 56.867 55.803 -0.003 0.000 0.929 306 Q CB 0.327 29.060 28.738 -0.009 0.000 1.037 306 Q HN 0.988 nan 8.270 nan 0.000 0.511 307 S N -1.385 114.279 115.700 -0.060 0.000 2.547 307 S HA 0.545 5.021 4.470 0.010 0.000 0.270 307 S C -1.476 173.061 174.600 -0.104 0.000 1.150 307 S CA -0.908 57.310 58.200 0.031 0.000 0.850 307 S CB 0.859 64.074 63.200 0.025 0.000 1.118 307 S HN 0.134 nan 8.310 nan 0.000 0.461 308 Y N 0.240 120.591 120.300 0.086 0.000 2.425 308 Y HA 0.568 5.124 4.550 0.011 0.000 0.344 308 Y C 0.451 176.427 175.900 0.125 0.000 0.969 308 Y CA -0.723 57.456 58.100 0.131 0.000 1.052 308 Y CB 2.629 41.222 38.460 0.223 0.000 1.215 308 Y HN 0.730 nan 8.280 nan 0.000 0.451 309 T N 3.337 118.022 114.554 0.218 0.000 2.817 309 T HA 0.132 4.488 4.350 0.010 0.000 0.293 309 T C -0.577 174.181 174.700 0.096 0.000 0.964 309 T CA -0.566 61.604 62.100 0.116 0.000 1.085 309 T CB 0.642 69.529 68.868 0.032 0.000 0.921 309 T HN 0.508 nan 8.240 nan 0.000 0.502 310 Q N 3.063 122.865 119.800 0.004 0.000 2.340 310 Q HA 0.213 4.560 4.340 0.010 0.000 0.259 310 Q C -1.001 174.913 176.000 -0.143 0.000 0.964 310 Q CA -0.514 55.163 55.803 -0.211 0.000 0.900 310 Q CB 0.516 29.154 28.738 -0.167 0.000 1.228 310 Q HN 0.816 nan 8.270 nan 0.000 0.449 311 H N 3.194 122.070 119.070 -0.324 0.000 2.708 311 H HA 0.355 4.917 4.556 0.010 0.000 0.320 311 H C -1.244 173.862 175.328 -0.371 0.000 0.991 311 H CA -0.687 55.150 56.048 -0.352 0.000 1.243 311 H CB 1.316 30.845 29.762 -0.389 0.000 1.446 311 H HN 0.545 nan 8.280 nan 0.000 0.502 312 T N 5.512 119.883 114.554 -0.304 0.000 2.743 312 T HA 0.086 4.442 4.350 0.010 0.000 0.292 312 T C -0.494 174.000 174.700 -0.343 0.000 0.972 312 T CA -0.445 61.493 62.100 -0.269 0.000 0.967 312 T CB 0.157 68.955 68.868 -0.117 0.000 0.926 312 T HN 0.400 nan 8.240 nan 0.000 0.459 313 W N 5.064 126.180 121.300 -0.307 0.000 2.316 313 W HA 0.396 5.061 4.660 0.009 0.000 0.321 313 W C -1.834 174.626 176.519 -0.099 0.000 1.203 313 W CA -2.114 55.094 57.345 -0.228 0.000 1.214 313 W CB 0.233 29.562 29.460 -0.218 0.000 1.169 313 W HN 0.394 nan 8.180 nan 0.000 0.561 314 P HA 0.213 nan 4.420 nan 0.000 0.274 314 P C -1.118 176.240 177.300 0.097 0.000 1.231 314 P CA -0.131 63.032 63.100 0.105 0.000 0.790 314 P CB 1.900 33.650 31.700 0.083 0.000 0.951 315 V N 0.781 120.727 119.914 0.054 0.000 2.876 315 V HA 0.579 4.706 4.120 0.010 0.000 0.312 315 V C -0.794 175.307 176.094 0.012 0.000 1.085 315 V CA -0.556 61.763 62.300 0.032 0.000 0.945 315 V CB 2.236 34.075 31.823 0.026 0.000 1.017 315 V HN 0.720 nan 8.190 nan 0.000 0.428 316 S N 4.704 120.403 115.700 -0.002 0.000 2.500 316 S HA 0.601 5.077 4.470 0.010 0.000 0.301 316 S C 0.103 174.691 174.600 -0.020 0.000 1.092 316 S CA -0.695 57.496 58.200 -0.014 0.000 1.030 316 S CB 1.528 64.713 63.200 -0.026 0.000 1.031 316 S HN 0.713 nan 8.310 nan 0.000 0.483 317 L N 3.023 124.233 121.223 -0.022 0.000 2.640 317 L HA 0.416 4.763 4.340 0.010 0.000 0.230 317 L C 0.856 177.704 176.870 -0.037 0.000 1.123 317 L CA -0.198 54.627 54.840 -0.026 0.000 0.900 317 L CB 0.019 42.067 42.059 -0.019 0.000 1.146 317 L HN 0.684 nan 8.230 nan 0.000 0.484 318 A N 0.363 123.155 122.820 -0.046 0.000 2.294 318 A HA 0.344 4.670 4.320 0.010 0.000 0.316 318 A C -0.379 177.152 177.584 -0.089 0.000 1.359 318 A CA -0.548 51.451 52.037 -0.064 0.000 0.956 318 A CB 0.068 19.030 19.000 -0.064 0.000 1.155 318 A HN 0.032 nan 8.150 nan 0.000 0.544 319 D N 1.401 121.745 120.400 -0.093 0.000 2.371 319 D HA 0.222 4.868 4.640 0.010 0.000 0.242 319 D C 0.398 176.562 176.300 -0.226 0.000 1.218 319 D CA 0.183 54.109 54.000 -0.124 0.000 0.945 319 D CB 0.579 41.327 40.800 -0.087 0.000 1.137 319 D HN 0.345 nan 8.370 nan 0.000 0.464 320 R N 1.077 121.351 120.500 -0.377 0.000 2.457 320 R HA 0.386 4.732 4.340 0.010 0.000 0.284 320 R C -2.106 173.939 176.300 -0.424 0.000 1.024 320 R CA -1.658 54.007 56.100 -0.726 0.000 1.025 320 R CB 0.569 29.778 30.300 -1.818 0.000 1.063 320 R HN 0.319 nan 8.270 nan 0.000 0.493 321 P HA 0.217 nan 4.420 nan 0.000 0.274 321 P C -2.544 174.869 177.300 0.187 0.000 1.256 321 P CA -1.677 61.423 63.100 0.001 0.000 0.795 321 P CB -0.474 31.256 31.700 0.051 0.000 1.038 322 P HA -0.015 nan 4.420 nan 0.000 0.263 322 P C 1.024 178.505 177.300 0.301 0.000 1.175 322 P CA 0.367 63.620 63.100 0.254 0.000 0.761 322 P CB 0.036 31.828 31.700 0.152 0.000 0.794 323 M N 3.307 123.067 119.600 0.268 0.000 2.358 323 M HA -0.177 4.309 4.480 0.010 0.000 0.264 323 M C 1.546 177.858 176.300 0.020 0.000 1.064 323 M CA 1.750 57.079 55.300 0.049 0.000 1.093 323 M CB -0.810 31.619 32.600 -0.286 0.000 1.401 323 M HN 0.260 nan 8.290 nan 0.000 0.440 324 Q N -0.376 119.455 119.800 0.051 0.000 2.291 324 Q HA -0.014 4.332 4.340 0.010 0.000 0.206 324 Q C 1.905 177.933 176.000 0.045 0.000 0.976 324 Q CA 1.571 57.395 55.803 0.035 0.000 0.875 324 Q CB -0.534 28.230 28.738 0.042 0.000 0.927 324 Q HN 0.684 nan 8.270 nan 0.000 0.450 325 A N -0.497 122.370 122.820 0.079 0.000 2.169 325 A HA -0.008 4.318 4.320 0.010 0.000 0.212 325 A C 1.660 179.292 177.584 0.080 0.000 1.153 325 A CA 0.532 52.616 52.037 0.078 0.000 0.756 325 A CB 0.147 19.204 19.000 0.094 0.000 0.813 325 A HN 0.188 nan 8.150 nan 0.000 0.471 326 I N -2.294 118.325 120.570 0.081 0.000 3.518 326 I HA 0.228 4.404 4.170 0.010 0.000 0.260 326 I C 1.118 177.232 176.117 -0.005 0.000 1.148 326 I CA 0.693 62.033 61.300 0.066 0.000 1.440 326 I CB -0.342 37.741 38.000 0.138 0.000 1.485 326 I HN 0.249 nan 8.210 nan 0.000 0.456 327 R N 2.812 123.278 120.500 -0.056 0.000 2.585 327 R HA 0.324 4.670 4.340 0.010 0.000 0.278 327 R C -2.670 173.591 176.300 -0.065 0.000 1.663 327 R CA -1.424 54.630 56.100 -0.076 0.000 1.592 327 R CB 1.003 31.224 30.300 -0.132 0.000 1.200 327 R HN -0.003 nan 8.270 nan 0.000 0.611 328 P HA 0.204 nan 4.420 nan 0.000 0.275 328 P C -0.222 177.062 177.300 -0.026 0.000 1.228 328 P CA -0.069 63.018 63.100 -0.022 0.000 0.786 328 P CB 0.908 32.605 31.700 -0.005 0.000 0.927 329 R N 0.000 120.486 120.500 -0.023 0.000 2.786 329 R HA 0.000 4.346 4.340 0.010 0.000 0.208 329 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 329 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 329 R HN 0.000 nan 8.270 nan 0.000 0.535