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 1vz6_1_B DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.820 174.700 0.200 0.000 1.109 8 T CA 0.000 62.212 62.100 0.186 0.000 1.349 8 T CB 0.000 68.930 68.868 0.104 0.000 0.612 9 P HA 0.529 nan 4.420 nan 0.000 0.275 9 P C 0.004 177.531 177.300 0.378 0.000 1.227 9 P CA 0.073 63.345 63.100 0.287 0.000 0.781 9 P CB 0.346 32.209 31.700 0.273 0.000 0.906 10 R N 1.148 121.812 120.500 0.273 0.000 2.590 10 R HA 0.408 4.748 4.340 -0.000 0.000 0.274 10 R C 1.476 177.860 176.300 0.141 0.000 1.061 10 R CA 0.289 56.499 56.100 0.183 0.000 1.081 10 R CB -1.556 28.808 30.300 0.107 0.000 0.984 10 R HN 0.940 nan 8.270 nan 0.000 0.448 11 G N -0.232 108.587 108.800 0.032 0.000 2.148 11 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.254 11 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.254 11 G C -0.183 174.541 174.900 -0.293 0.000 0.981 11 G CA 0.482 45.491 45.100 -0.152 0.000 0.670 11 G HN 0.779 nan 8.290 nan 0.000 0.528 12 F N 0.114 120.135 119.950 0.117 0.000 2.458 12 F HA 0.664 5.191 4.527 -0.000 0.000 0.336 12 F C 0.605 176.425 175.800 0.033 0.000 1.114 12 F CA -0.604 57.465 58.000 0.116 0.000 0.987 12 F CB 2.158 41.315 39.000 0.262 0.000 1.130 12 F HN 0.329 nan 8.300 nan 0.000 0.458 13 V N 0.820 120.834 119.914 0.167 0.000 2.960 13 V HA 0.922 5.042 4.120 -0.000 0.000 0.315 13 V C -1.152 174.890 176.094 -0.086 0.000 1.087 13 V CA -0.998 61.337 62.300 0.058 0.000 0.982 13 V CB 1.884 33.814 31.823 0.178 0.000 1.039 13 V HN 0.441 nan 8.190 nan 0.000 0.437 14 V N 2.231 122.070 119.914 -0.124 0.000 2.569 14 V HA 0.456 4.575 4.120 -0.000 0.000 0.301 14 V C -1.064 174.997 176.094 -0.055 0.000 1.044 14 V CA -0.350 61.846 62.300 -0.175 0.000 0.874 14 V CB 1.338 32.959 31.823 -0.336 0.000 1.002 14 V HN 1.210 nan 8.190 nan 0.000 0.424 15 H N 3.151 122.150 119.070 -0.119 0.000 2.511 15 H HA 0.775 5.331 4.556 -0.000 0.000 0.328 15 H C -0.168 175.149 175.328 -0.019 0.000 1.044 15 H CA 0.095 56.117 56.048 -0.043 0.000 1.212 15 H CB 1.596 31.343 29.762 -0.025 0.000 1.428 15 H HN 0.773 nan 8.280 nan 0.000 0.483 16 T N 2.490 116.768 114.554 -0.460 0.000 2.893 16 T HA 0.866 5.216 4.350 -0.000 0.000 0.293 16 T C -0.778 173.705 174.700 -0.360 0.000 1.027 16 T CA -0.437 61.483 62.100 -0.300 0.000 0.988 16 T CB 1.734 70.505 68.868 -0.162 0.000 1.043 16 T HN 0.862 nan 8.240 nan 0.000 0.461 17 A N 2.752 125.457 122.820 -0.192 0.000 2.608 17 A HA 0.890 5.210 4.320 -0.000 0.000 0.292 17 A C -3.255 174.220 177.584 -0.181 0.000 1.066 17 A CA -1.587 50.319 52.037 -0.219 0.000 0.676 17 A CB 1.328 20.125 19.000 -0.338 0.000 1.277 17 A HN 0.682 nan 8.150 nan 0.000 0.413 18 P HA 0.435 nan 4.420 nan 0.000 0.292 18 P C -0.323 176.839 177.300 -0.230 0.000 1.287 18 P CA -0.110 62.898 63.100 -0.153 0.000 0.800 18 P CB 1.586 33.221 31.700 -0.108 0.000 0.945 19 V N 2.089 121.904 119.914 -0.165 0.000 3.276 19 V HA 0.279 4.399 4.120 -0.000 0.000 0.319 19 V C 1.420 177.458 176.094 -0.093 0.000 1.476 19 V CA 0.381 62.568 62.300 -0.188 0.000 1.097 19 V CB -0.104 31.577 31.823 -0.236 0.000 0.988 19 V HN 0.876 nan 8.190 nan 0.000 0.473 20 G N 1.298 110.061 108.800 -0.061 0.000 2.295 20 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 20 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 20 G C 0.586 175.486 174.900 -0.000 0.000 1.055 20 G CA 0.669 45.752 45.100 -0.028 0.000 0.922 20 G HN 0.505 nan 8.290 nan 0.000 0.503 21 L N -0.802 120.429 121.223 0.015 0.000 2.551 21 L HA 0.414 4.754 4.340 -0.000 0.000 0.228 21 L C 1.537 178.435 176.870 0.047 0.000 1.153 21 L CA 1.158 56.029 54.840 0.052 0.000 0.851 21 L CB -0.115 41.989 42.059 0.075 0.000 0.959 21 L HN 0.741 nan 8.230 nan 0.000 0.451 22 A N -1.662 121.172 122.820 0.024 0.000 2.547 22 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 22 A C -0.551 177.036 177.584 0.006 0.000 1.056 22 A CA -0.114 51.934 52.037 0.017 0.000 0.688 22 A CB 0.548 19.558 19.000 0.017 0.000 1.282 22 A HN 0.067 nan 8.150 nan 0.000 0.400 23 D N 1.626 122.029 120.400 0.004 0.000 2.597 23 D HA 0.401 5.040 4.640 -0.000 0.000 0.228 23 D C 0.128 176.425 176.300 -0.005 0.000 1.120 23 D CA 0.499 54.498 54.000 -0.002 0.000 1.083 23 D CB -0.242 40.558 40.800 -0.001 0.000 1.116 23 D HN 0.643 nan 8.370 nan 0.000 0.487 24 D N -1.322 119.073 120.400 -0.008 0.000 2.557 24 D HA 0.157 4.797 4.640 -0.000 0.000 0.317 24 D C 1.400 177.691 176.300 -0.015 0.000 1.403 24 D CA 0.712 54.706 54.000 -0.010 0.000 0.886 24 D CB -0.617 40.179 40.800 -0.007 0.000 1.363 24 D HN 0.936 nan 8.370 nan 0.000 0.458 25 G N 1.549 110.336 108.800 -0.021 0.000 2.200 25 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 25 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 25 G C 0.377 175.258 174.900 -0.032 0.000 0.993 25 G CA 0.630 45.712 45.100 -0.030 0.000 0.701 25 G HN 0.564 nan 8.290 nan 0.000 0.524 26 R N 0.630 121.115 120.500 -0.025 0.000 2.560 26 R HA 0.292 4.632 4.340 -0.000 0.000 0.270 26 R C -0.589 175.692 176.300 -0.031 0.000 1.074 26 R CA -0.526 55.560 56.100 -0.024 0.000 1.140 26 R CB 0.218 30.511 30.300 -0.013 0.000 1.073 26 R HN 0.089 nan 8.270 nan 0.000 0.527 27 D N 1.816 122.195 120.400 -0.035 0.000 2.434 27 D HA -0.001 4.639 4.640 -0.000 0.000 0.252 27 D C 0.235 176.524 176.300 -0.018 0.000 1.185 27 D CA 0.639 54.614 54.000 -0.042 0.000 0.886 27 D CB 0.776 41.546 40.800 -0.051 0.000 1.148 27 D HN 0.437 nan 8.370 nan 0.000 0.483 28 D N 0.790 121.191 120.400 0.001 0.000 2.516 28 D HA 0.048 4.688 4.640 -0.000 0.000 0.241 28 D C -0.314 176.029 176.300 0.072 0.000 1.246 28 D CA -0.426 53.591 54.000 0.029 0.000 0.808 28 D CB -0.418 40.400 40.800 0.031 0.000 1.147 28 D HN 0.217 nan 8.370 nan 0.000 0.527 29 F N 1.728 121.620 119.950 -0.097 0.000 2.427 29 F HA 0.610 5.136 4.527 -0.000 0.000 0.348 29 F C -0.971 174.798 175.800 -0.053 0.000 1.125 29 F CA -0.181 57.777 58.000 -0.071 0.000 0.989 29 F CB 1.876 40.827 39.000 -0.082 0.000 1.165 29 F HN -0.287 nan 8.300 nan 0.000 0.442 30 T N 5.550 119.846 114.554 -0.429 0.000 2.861 30 T HA 0.628 4.978 4.350 -0.000 0.000 0.287 30 T C -1.202 173.241 174.700 -0.428 0.000 1.003 30 T CA -0.646 61.269 62.100 -0.308 0.000 0.977 30 T CB 1.816 70.554 68.868 -0.217 0.000 0.996 30 T HN 0.281 nan 8.240 nan 0.000 0.448 31 V N 3.902 123.679 119.914 -0.227 0.000 2.483 31 V HA 0.557 4.677 4.120 -0.000 0.000 0.297 31 V C -0.947 175.021 176.094 -0.211 0.000 1.027 31 V CA -0.850 61.303 62.300 -0.245 0.000 0.855 31 V CB 1.659 33.376 31.823 -0.177 0.000 0.995 31 V HN 0.704 nan 8.190 nan 0.000 0.424 32 L N 5.128 126.192 121.223 -0.264 0.000 2.305 32 L HA 0.976 5.316 4.340 -0.000 0.000 0.284 32 L C -0.086 176.645 176.870 -0.231 0.000 1.013 32 L CA -0.065 54.637 54.840 -0.229 0.000 0.819 32 L CB 1.123 43.033 42.059 -0.248 0.000 1.227 32 L HN 0.820 nan 8.230 nan 0.000 0.417 33 A N 3.017 125.766 122.820 -0.119 0.000 2.587 33 A HA 0.777 5.097 4.320 -0.000 0.000 0.293 33 A C -1.210 176.399 177.584 0.042 0.000 1.087 33 A CA -0.472 51.501 52.037 -0.107 0.000 0.692 33 A CB 1.766 20.621 19.000 -0.241 0.000 1.291 33 A HN 0.656 nan 8.150 nan 0.000 0.407 34 S N -0.248 115.402 115.700 -0.084 0.000 2.462 34 S HA 0.454 4.924 4.470 -0.000 0.000 0.294 34 S C 1.229 175.791 174.600 -0.065 0.000 1.144 34 S CA 0.300 58.280 58.200 -0.366 0.000 1.088 34 S CB 0.761 63.626 63.200 -0.559 0.000 1.009 34 S HN 1.432 nan 8.310 nan 0.000 0.484 35 T N 2.050 116.497 114.554 -0.178 0.000 3.113 35 T HA 0.384 4.734 4.350 -0.000 0.000 0.263 35 T C 0.567 175.131 174.700 -0.226 0.000 1.143 35 T CA 0.426 62.356 62.100 -0.283 0.000 1.090 35 T CB -0.179 68.486 68.868 -0.339 0.000 0.922 35 T HN 0.760 nan 8.240 nan 0.000 0.521 36 A N 1.237 123.945 122.820 -0.187 0.000 2.479 36 A HA 0.791 5.111 4.320 -0.000 0.000 0.296 36 A C -3.048 174.490 177.584 -0.077 0.000 1.121 36 A CA -2.412 49.548 52.037 -0.128 0.000 0.743 36 A CB 1.050 19.973 19.000 -0.128 0.000 1.323 36 A HN 0.099 nan 8.150 nan 0.000 0.415 37 P HA 0.422 nan 4.420 nan 0.000 0.268 37 P C -0.599 176.717 177.300 0.026 0.000 1.205 37 P CA 0.435 63.541 63.100 0.008 0.000 0.771 37 P CB 1.056 32.762 31.700 0.010 0.000 0.858 38 A N 1.595 124.463 122.820 0.081 0.000 2.498 38 A HA 0.705 5.024 4.320 -0.000 0.000 0.298 38 A C -0.532 177.137 177.584 0.143 0.000 1.075 38 A CA -0.476 51.642 52.037 0.136 0.000 0.714 38 A CB 0.972 20.120 19.000 0.247 0.000 1.299 38 A HN 0.492 nan 8.150 nan 0.000 0.407 39 T N -0.754 113.867 114.554 0.112 0.000 2.806 39 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 39 T C -0.243 174.488 174.700 0.050 0.000 0.966 39 T CA -0.580 61.558 62.100 0.062 0.000 1.060 39 T CB 1.180 70.057 68.868 0.014 0.000 0.927 39 T HN 1.371 nan 8.240 nan 0.000 0.485 40 V N 2.190 122.105 119.914 0.002 0.000 2.715 40 V HA 0.762 4.881 4.120 -0.000 0.000 0.310 40 V C -0.686 175.274 176.094 -0.225 0.000 1.054 40 V CA -0.427 61.791 62.300 -0.136 0.000 0.928 40 V CB 2.267 34.030 31.823 -0.101 0.000 1.007 40 V HN 1.133 nan 8.190 nan 0.000 0.437 41 S N 3.965 119.394 115.700 -0.451 0.000 2.538 41 S HA 0.952 5.421 4.470 -0.000 0.000 0.288 41 S C -0.670 173.453 174.600 -0.795 0.000 1.108 41 S CA -0.045 57.816 58.200 -0.564 0.000 0.971 41 S CB 1.629 64.373 63.200 -0.761 0.000 1.041 41 S HN 1.430 nan 8.310 nan 0.000 0.483 42 A N 1.782 124.355 122.820 -0.411 0.000 2.604 42 A HA 0.868 5.188 4.320 -0.000 0.000 0.295 42 A C -1.136 176.234 177.584 -0.357 0.000 1.067 42 A CA -0.833 50.972 52.037 -0.388 0.000 0.683 42 A CB 1.091 19.807 19.000 -0.473 0.000 1.281 42 A HN 1.344 nan 8.150 nan 0.000 0.407 43 V N -1.445 118.143 119.914 -0.544 0.000 3.007 43 V HA 1.005 5.125 4.120 -0.000 0.000 0.311 43 V C -0.963 174.661 176.094 -0.783 0.000 1.120 43 V CA -0.965 61.061 62.300 -0.457 0.000 0.980 43 V CB 1.300 33.057 31.823 -0.110 0.000 1.033 43 V HN 0.942 nan 8.190 nan 0.000 0.429 44 F N -0.410 119.576 119.950 0.060 0.000 2.706 44 F HA 0.756 5.283 4.527 -0.000 0.000 0.328 44 F C 0.656 176.477 175.800 0.036 0.000 1.123 44 F CA -0.757 57.268 58.000 0.041 0.000 0.978 44 F CB 1.606 40.633 39.000 0.045 0.000 1.404 44 F HN 0.728 nan 8.300 nan 0.000 0.497 45 T N -0.073 114.632 114.554 0.251 0.000 2.903 45 T HA 0.410 4.760 4.350 -0.000 0.000 0.314 45 T C 0.766 175.551 174.700 0.141 0.000 1.078 45 T CA 0.389 62.579 62.100 0.150 0.000 1.114 45 T CB 0.731 69.673 68.868 0.123 0.000 0.987 45 T HN 0.863 nan 8.240 nan 0.000 0.548 46 R N 2.791 123.353 120.500 0.103 0.000 2.468 46 R HA 0.457 4.796 4.340 -0.000 0.000 0.280 46 R C 1.142 177.486 176.300 0.073 0.000 0.963 46 R CA 0.436 56.587 56.100 0.085 0.000 1.083 46 R CB -0.729 29.614 30.300 0.072 0.000 1.200 46 R HN 0.734 nan 8.270 nan 0.000 0.541 47 S N 0.687 116.437 115.700 0.085 0.000 2.558 47 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 47 S C 0.982 175.640 174.600 0.097 0.000 1.306 47 S CA -0.429 57.830 58.200 0.099 0.000 1.056 47 S CB 0.455 63.725 63.200 0.117 0.000 0.836 47 S HN 0.578 nan 8.310 nan 0.000 0.504 48 R N 2.900 123.473 120.500 0.123 0.000 2.235 48 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 48 R C 0.374 176.694 176.300 0.033 0.000 1.059 48 R CA 0.983 57.132 56.100 0.081 0.000 0.997 48 R CB -0.358 30.014 30.300 0.120 0.000 0.884 48 R HN 0.693 nan 8.270 nan 0.000 0.462 49 F N 0.427 120.382 119.950 0.008 0.000 2.772 49 F HA 0.353 4.880 4.527 -0.000 0.000 0.302 49 F C 0.686 176.488 175.800 0.002 0.000 1.136 49 F CA -0.748 57.254 58.000 0.003 0.000 1.322 49 F CB 0.165 39.167 39.000 0.004 0.000 0.967 49 F HN -0.156 nan 8.300 nan 0.000 0.513 50 A N 0.622 123.502 122.820 0.101 0.000 2.561 50 A HA 0.401 4.721 4.320 -0.000 0.000 0.234 50 A C 1.063 178.667 177.584 0.033 0.000 1.055 50 A CA 0.564 52.640 52.037 0.065 0.000 0.756 50 A CB -0.307 18.712 19.000 0.031 0.000 0.986 50 A HN 0.422 nan 8.150 nan 0.000 0.505 51 G N 1.411 110.232 108.800 0.035 0.000 2.537 51 G HA2 0.469 4.429 3.960 -0.000 0.000 0.273 51 G HA3 0.469 4.429 3.960 -0.000 0.000 0.273 51 G C -0.907 173.983 174.900 -0.018 0.000 1.189 51 G CA -0.651 44.456 45.100 0.011 0.000 0.881 51 G HN 0.534 nan 8.290 nan 0.000 0.535 52 P HA -0.136 nan 4.420 nan 0.000 0.216 52 P C 1.857 179.140 177.300 -0.028 0.000 1.150 52 P CA 1.419 64.501 63.100 -0.031 0.000 0.843 52 P CB 0.161 31.845 31.700 -0.025 0.000 0.787 53 S N 0.019 115.716 115.700 -0.006 0.000 2.374 53 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 53 S C 2.147 176.714 174.600 -0.055 0.000 1.037 53 S CA 1.485 59.691 58.200 0.010 0.000 1.024 53 S CB -1.209 62.029 63.200 0.063 0.000 0.861 53 S HN 0.015 nan 8.310 nan 0.000 0.456 54 V N 1.345 121.209 119.914 -0.084 0.000 2.343 54 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 54 V C 2.312 178.209 176.094 -0.328 0.000 1.051 54 V CA 1.400 63.562 62.300 -0.230 0.000 1.036 54 V CB -0.797 30.950 31.823 -0.126 0.000 0.654 54 V HN 0.342 nan 8.190 nan 0.000 0.451 55 V N -0.127 119.680 119.914 -0.178 0.000 2.332 55 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 55 V C 2.318 178.323 176.094 -0.147 0.000 1.055 55 V CA 2.029 64.239 62.300 -0.151 0.000 1.038 55 V CB -0.550 31.222 31.823 -0.085 0.000 0.651 55 V HN 0.448 nan 8.190 nan 0.000 0.450 56 L N -1.087 120.070 121.223 -0.111 0.000 2.046 56 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 56 L C 2.662 179.476 176.870 -0.094 0.000 1.077 56 L CA 1.564 56.363 54.840 -0.070 0.000 0.747 56 L CB -0.763 41.282 42.059 -0.024 0.000 0.896 56 L HN 0.388 nan 8.230 nan 0.000 0.432 57 C N -0.248 118.944 119.300 -0.180 0.000 2.429 57 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 57 C C 2.948 177.795 174.990 -0.239 0.000 1.262 57 C CA 0.544 59.446 59.018 -0.193 0.000 1.733 57 C CB -0.960 26.579 27.740 -0.335 0.000 2.010 57 C HN 0.420 nan 8.230 nan 0.000 0.483 58 R N 0.825 121.038 120.500 -0.479 0.000 2.105 58 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 58 R C 1.961 178.249 176.300 -0.019 0.000 1.135 58 R CA 1.516 57.489 56.100 -0.211 0.000 0.967 58 R CB -0.463 29.713 30.300 -0.205 0.000 0.861 58 R HN 0.716 nan 8.270 nan 0.000 0.442 59 E N 0.500 120.675 120.200 -0.041 0.000 2.076 59 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 59 E C 2.070 178.690 176.600 0.033 0.000 0.979 59 E CA 0.825 57.227 56.400 0.003 0.000 0.807 59 E CB -0.122 29.573 29.700 -0.009 0.000 0.761 59 E HN 0.292 nan 8.360 nan 0.000 0.454 60 A N 1.585 124.429 122.820 0.039 0.000 1.978 60 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 60 A C 2.449 180.092 177.584 0.099 0.000 1.170 60 A CA 1.726 53.806 52.037 0.073 0.000 0.636 60 A CB -0.660 18.394 19.000 0.090 0.000 0.810 60 A HN 0.247 nan 8.150 nan 0.000 0.448 61 V N -3.907 116.079 119.914 0.121 0.000 3.647 61 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 61 V C 2.127 178.276 176.094 0.092 0.000 1.314 61 V CA 0.746 63.119 62.300 0.120 0.000 1.125 61 V CB -0.903 31.024 31.823 0.173 0.000 0.907 61 V HN 0.471 nan 8.190 nan 0.000 0.434 62 A N 2.627 125.497 122.820 0.082 0.000 1.903 62 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 62 A C 1.832 179.448 177.584 0.052 0.000 1.191 62 A CA 2.502 54.578 52.037 0.065 0.000 0.638 62 A CB -0.934 18.096 19.000 0.050 0.000 0.823 62 A HN 0.827 nan 8.150 nan 0.000 0.451 63 D N -2.043 118.386 120.400 0.048 0.000 2.319 63 D HA 0.309 4.949 4.640 -0.000 0.000 0.230 63 D C 1.070 177.393 176.300 0.039 0.000 1.094 63 D CA 0.754 54.778 54.000 0.040 0.000 0.856 63 D CB -0.844 39.978 40.800 0.037 0.000 0.915 63 D HN 0.880 nan 8.370 nan 0.000 0.517 64 G N -0.054 108.770 108.800 0.041 0.000 2.187 64 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.261 64 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.261 64 G C 0.047 174.971 174.900 0.041 0.000 1.000 64 G CA 0.480 45.597 45.100 0.029 0.000 0.718 64 G HN 0.612 nan 8.290 nan 0.000 0.519 65 Q N -0.197 119.639 119.800 0.061 0.000 2.309 65 Q HA 0.774 5.114 4.340 -0.000 0.000 0.270 65 Q C -0.243 175.827 176.000 0.116 0.000 1.023 65 Q CA 0.432 56.283 55.803 0.080 0.000 0.758 65 Q CB 1.618 30.393 28.738 0.061 0.000 1.247 65 Q HN 1.290 nan 8.270 nan 0.000 0.455 66 A N 3.479 126.405 122.820 0.177 0.000 2.594 66 A HA 0.687 5.007 4.320 -0.000 0.000 0.295 66 A C -0.660 177.101 177.584 0.295 0.000 1.071 66 A CA -0.649 51.538 52.037 0.250 0.000 0.685 66 A CB 1.518 20.721 19.000 0.337 0.000 1.285 66 A HN 0.792 nan 8.150 nan 0.000 0.405 67 R N 0.185 120.799 120.500 0.190 0.000 2.476 67 R HA 0.427 4.767 4.340 -0.000 0.000 0.276 67 R C 0.639 176.834 176.300 -0.174 0.000 0.941 67 R CA 0.583 56.715 56.100 0.052 0.000 1.088 67 R CB 1.340 31.675 30.300 0.057 0.000 1.216 67 R HN 1.184 nan 8.270 nan 0.000 0.533 68 G N -0.113 108.548 108.800 -0.231 0.000 2.321 68 G HA2 0.310 4.270 3.960 -0.000 0.000 0.296 68 G HA3 0.310 4.270 3.960 -0.000 0.000 0.296 68 G C -2.021 172.802 174.900 -0.128 0.000 1.287 68 G CA -0.297 44.522 45.100 -0.469 0.000 0.846 68 G HN -0.027 nan 8.290 nan 0.000 0.508 69 V N -1.008 118.801 119.914 -0.175 0.000 3.000 69 V HA 0.726 4.846 4.120 -0.000 0.000 0.300 69 V C -1.324 174.631 176.094 -0.231 0.000 1.251 69 V CA -0.414 61.837 62.300 -0.082 0.000 0.972 69 V CB 1.648 33.477 31.823 0.009 0.000 1.065 69 V HN 1.762 nan 8.190 nan 0.000 0.431 70 V N 7.090 126.883 119.914 -0.201 0.000 2.435 70 V HA 0.842 4.962 4.120 -0.000 0.000 0.290 70 V C -0.887 175.036 176.094 -0.286 0.000 1.030 70 V CA 0.014 62.118 62.300 -0.327 0.000 0.881 70 V CB 1.829 33.462 31.823 -0.317 0.000 0.983 70 V HN 0.857 nan 8.190 nan 0.000 0.445 71 V N 7.393 127.085 119.914 -0.369 0.000 2.604 71 V HA 0.577 4.697 4.120 -0.000 0.000 0.305 71 V C -0.739 175.238 176.094 -0.195 0.000 1.043 71 V CA -0.641 61.541 62.300 -0.196 0.000 0.888 71 V CB 1.661 33.400 31.823 -0.139 0.000 0.995 71 V HN 0.758 nan 8.190 nan 0.000 0.429 72 L N 3.994 125.196 121.223 -0.036 0.000 2.333 72 L HA 0.863 5.203 4.340 -0.000 0.000 0.280 72 L C 0.187 177.112 176.870 0.092 0.000 1.004 72 L CA -0.234 54.622 54.840 0.027 0.000 0.820 72 L CB 1.821 43.912 42.059 0.053 0.000 1.247 72 L HN 0.774 nan 8.230 nan 0.000 0.416 73 A N 2.684 125.549 122.820 0.074 0.000 2.318 73 A HA 0.894 5.214 4.320 -0.000 0.000 0.324 73 A C 0.442 178.074 177.584 0.080 0.000 1.170 73 A CA -0.326 51.757 52.037 0.078 0.000 0.810 73 A CB 0.877 19.909 19.000 0.054 0.000 1.198 73 A HN 0.734 nan 8.150 nan 0.000 0.484 74 R N -0.427 120.121 120.500 0.080 0.000 2.977 74 R HA -0.086 4.254 4.340 -0.000 0.000 0.492 74 R C -0.564 175.789 176.300 0.089 0.000 0.642 74 R CA 1.069 57.211 56.100 0.069 0.000 1.341 74 R CB -1.737 28.597 30.300 0.056 0.000 2.048 74 R HN 0.787 nan 8.270 nan 0.000 0.403 75 N N -0.614 118.163 118.700 0.129 0.000 2.616 75 N HA 0.459 5.199 4.740 -0.000 0.000 0.281 75 N C 0.031 175.625 175.510 0.139 0.000 1.145 75 N CA 0.482 53.615 53.050 0.139 0.000 0.919 75 N CB 1.597 40.228 38.487 0.239 0.000 1.509 75 N HN 0.080 nan 8.380 nan 0.000 0.537 76 A N 3.124 125.980 122.820 0.060 0.000 2.119 76 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 76 A C 0.920 178.488 177.584 -0.028 0.000 1.152 76 A CA 0.866 52.931 52.037 0.048 0.000 0.708 76 A CB -0.509 18.514 19.000 0.038 0.000 0.805 76 A HN 0.859 nan 8.150 nan 0.000 0.460 77 N N -1.290 117.316 118.700 -0.156 0.000 2.727 77 N HA -0.142 4.598 4.740 -0.000 0.000 0.251 77 N C -0.886 174.533 175.510 -0.151 0.000 1.040 77 N CA 0.894 53.738 53.050 -0.343 0.000 0.712 77 N CB -1.703 36.384 38.487 -0.666 0.000 0.912 77 N HN 0.192 nan 8.380 nan 0.000 0.545 78 V N 0.451 120.325 119.914 -0.068 0.000 2.715 78 V HA 0.817 4.937 4.120 -0.000 0.000 0.310 78 V C 1.154 177.264 176.094 0.027 0.000 1.054 78 V CA -0.344 61.957 62.300 0.002 0.000 0.928 78 V CB 1.362 33.212 31.823 0.045 0.000 1.007 78 V HN 0.780 nan 8.190 nan 0.000 0.437 79 A N 2.929 125.793 122.820 0.072 0.000 2.791 79 A HA -0.165 4.155 4.320 -0.000 0.000 0.292 79 A C 0.930 178.534 177.584 0.034 0.000 1.487 79 A CA 1.185 53.282 52.037 0.101 0.000 0.760 79 A CB -2.010 17.094 19.000 0.174 0.000 1.031 79 A HN 1.497 nan 8.150 nan 0.000 0.503 80 T N -2.465 112.084 114.554 -0.009 0.000 3.176 80 T HA 0.530 4.880 4.350 -0.000 0.000 0.263 80 T C 1.868 176.554 174.700 -0.024 0.000 1.021 80 T CA 0.988 63.070 62.100 -0.031 0.000 0.905 80 T CB -0.018 68.800 68.868 -0.083 0.000 1.057 80 T HN 2.483 nan 8.240 nan 0.000 0.558 81 G N 2.080 110.871 108.800 -0.015 0.000 2.622 81 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.272 81 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.272 81 G C 0.512 175.400 174.900 -0.020 0.000 1.308 81 G CA 0.002 45.092 45.100 -0.016 0.000 0.919 81 G HN 0.558 nan 8.290 nan 0.000 0.565 82 L N 0.344 121.558 121.223 -0.015 0.000 2.012 82 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 82 L C 2.666 179.532 176.870 -0.007 0.000 1.073 82 L CA 3.173 58.006 54.840 -0.012 0.000 0.748 82 L CB -0.806 41.249 42.059 -0.008 0.000 0.891 82 L HN 0.860 nan 8.230 nan 0.000 0.431 83 E N -0.925 119.272 120.200 -0.005 0.000 2.097 83 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 83 E C 2.027 178.626 176.600 -0.001 0.000 1.000 83 E CA 1.336 57.737 56.400 0.002 0.000 0.804 83 E CB -0.475 29.227 29.700 0.003 0.000 0.740 83 E HN 0.665 nan 8.360 nan 0.000 0.454 84 G N 0.355 109.140 108.800 -0.025 0.000 2.403 84 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 84 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 84 G C 1.276 176.157 174.900 -0.031 0.000 1.154 84 G CA 0.687 45.753 45.100 -0.057 0.000 0.784 84 G HN 0.304 nan 8.290 nan 0.000 0.538 85 E N 0.399 120.588 120.200 -0.019 0.000 2.085 85 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 85 E C 2.390 178.997 176.600 0.013 0.000 0.994 85 E CA 1.110 57.506 56.400 -0.008 0.000 0.801 85 E CB -0.087 29.605 29.700 -0.013 0.000 0.743 85 E HN 0.553 nan 8.360 nan 0.000 0.453 86 E N 0.548 120.758 120.200 0.017 0.000 2.051 86 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 86 E C 1.964 178.597 176.600 0.056 0.000 0.991 86 E CA 0.793 57.210 56.400 0.029 0.000 0.799 86 E CB 0.007 29.721 29.700 0.024 0.000 0.748 86 E HN 0.171 nan 8.360 nan 0.000 0.449 87 N N 0.656 119.402 118.700 0.076 0.000 2.149 87 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 87 N C 1.650 177.277 175.510 0.195 0.000 1.019 87 N CA 1.312 54.453 53.050 0.152 0.000 0.857 87 N CB -0.334 38.284 38.487 0.217 0.000 0.997 87 N HN 0.146 nan 8.380 nan 0.000 0.426 88 A N 1.706 124.617 122.820 0.152 0.000 1.873 88 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 88 A C 2.256 179.902 177.584 0.103 0.000 1.186 88 A CA 1.091 53.221 52.037 0.156 0.000 0.616 88 A CB -0.400 18.654 19.000 0.089 0.000 0.823 88 A HN 0.238 nan 8.150 nan 0.000 0.442 89 R N -0.566 119.974 120.500 0.066 0.000 2.091 89 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 89 R C 2.311 178.640 176.300 0.049 0.000 1.136 89 R CA 1.543 57.671 56.100 0.046 0.000 0.959 89 R CB -0.399 29.920 30.300 0.030 0.000 0.856 89 R HN 0.772 nan 8.270 nan 0.000 0.437 90 E N 0.631 120.866 120.200 0.058 0.000 2.017 90 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 90 E C 2.022 178.654 176.600 0.052 0.000 0.997 90 E CA 1.463 57.892 56.400 0.049 0.000 0.804 90 E CB 0.123 29.854 29.700 0.053 0.000 0.757 90 E HN 0.079 nan 8.360 nan 0.000 0.448 91 V N 1.803 121.766 119.914 0.081 0.000 2.392 91 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 91 V C 2.663 178.802 176.094 0.074 0.000 1.059 91 V CA 1.904 64.255 62.300 0.085 0.000 1.051 91 V CB -0.686 31.201 31.823 0.106 0.000 0.658 91 V HN 0.290 nan 8.190 nan 0.000 0.455 92 R N 0.524 121.063 120.500 0.065 0.000 2.075 92 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 92 R C 2.293 178.604 176.300 0.019 0.000 1.126 92 R CA 2.098 58.221 56.100 0.039 0.000 0.963 92 R CB -0.344 29.983 30.300 0.044 0.000 0.858 92 R HN 0.629 nan 8.270 nan 0.000 0.435 93 E N 0.153 120.365 120.200 0.020 0.000 2.208 93 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 93 E C 1.856 178.452 176.600 -0.006 0.000 0.988 93 E CA 1.055 57.459 56.400 0.007 0.000 0.828 93 E CB -0.502 29.204 29.700 0.010 0.000 0.763 93 E HN 0.598 nan 8.360 nan 0.000 0.478 94 A N 0.412 123.230 122.820 -0.003 0.000 1.898 94 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 94 A C 2.691 180.248 177.584 -0.044 0.000 1.181 94 A CA 1.628 53.651 52.037 -0.023 0.000 0.620 94 A CB -0.454 18.535 19.000 -0.018 0.000 0.819 94 A HN 0.428 nan 8.150 nan 0.000 0.442 95 V N -0.081 119.816 119.914 -0.029 0.000 2.343 95 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 95 V C 3.055 179.079 176.094 -0.117 0.000 1.051 95 V CA 1.869 64.124 62.300 -0.075 0.000 1.036 95 V CB -1.239 30.552 31.823 -0.054 0.000 0.654 95 V HN 0.612 nan 8.190 nan 0.000 0.451 96 A N -0.211 122.566 122.820 -0.071 0.000 1.883 96 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 96 A C 2.394 179.948 177.584 -0.051 0.000 1.186 96 A CA 1.631 53.633 52.037 -0.057 0.000 0.624 96 A CB -0.519 18.470 19.000 -0.019 0.000 0.822 96 A HN 0.379 nan 8.150 nan 0.000 0.444 97 R N -0.542 119.933 120.500 -0.042 0.000 2.097 97 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 97 R C 2.505 178.776 176.300 -0.047 0.000 1.135 97 R CA 1.676 57.756 56.100 -0.033 0.000 0.934 97 R CB -1.179 29.100 30.300 -0.034 0.000 0.846 97 R HN 0.535 nan 8.270 nan 0.000 0.431 98 A N 0.894 123.660 122.820 -0.090 0.000 1.948 98 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 98 A C 2.186 179.690 177.584 -0.134 0.000 1.177 98 A CA 1.356 53.319 52.037 -0.123 0.000 0.636 98 A CB -0.424 18.463 19.000 -0.188 0.000 0.815 98 A HN 0.272 nan 8.150 nan 0.000 0.449 99 L N -1.424 119.682 121.223 -0.194 0.000 2.607 99 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 99 L C 1.329 178.341 176.870 0.236 0.000 1.123 99 L CA 0.329 55.039 54.840 -0.216 0.000 0.890 99 L CB -0.304 41.302 42.059 -0.756 0.000 1.103 99 L HN 0.551 nan 8.230 nan 0.000 0.468 100 G N 1.721 110.586 108.800 0.108 0.000 2.324 100 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.292 100 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.292 100 G C -0.396 174.581 174.900 0.129 0.000 1.079 100 G CA -0.027 45.148 45.100 0.124 0.000 1.026 100 G HN 0.231 nan 8.290 nan 0.000 0.506 101 L N 0.608 121.878 121.223 0.078 0.000 2.381 101 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 101 L C -1.773 175.121 176.870 0.040 0.000 0.997 101 L CA -2.581 52.302 54.840 0.072 0.000 0.818 101 L CB 2.470 44.560 42.059 0.051 0.000 1.310 101 L HN -0.001 nan 8.230 nan 0.000 0.416 102 P HA -0.015 nan 4.420 nan 0.000 0.267 102 P C 0.261 177.579 177.300 0.029 0.000 1.205 102 P CA 0.061 63.181 63.100 0.033 0.000 0.765 102 P CB 1.100 32.822 31.700 0.036 0.000 0.828 103 E N 3.409 123.622 120.200 0.022 0.000 2.086 103 E HA -0.226 4.124 4.350 -0.000 0.000 0.205 103 E C 1.948 178.565 176.600 0.030 0.000 1.027 103 E CA 2.022 58.434 56.400 0.020 0.000 0.830 103 E CB -0.819 28.891 29.700 0.017 0.000 0.751 103 E HN 0.692 nan 8.360 nan 0.000 0.456 104 G N -0.197 108.623 108.800 0.034 0.000 2.708 104 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.210 104 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.210 104 G C 1.059 175.996 174.900 0.061 0.000 1.141 104 G CA 0.364 45.490 45.100 0.043 0.000 0.788 104 G HN 0.318 nan 8.290 nan 0.000 0.531 105 E N -0.941 119.297 120.200 0.063 0.000 2.465 105 E HA 0.281 4.631 4.350 -0.000 0.000 0.195 105 E C 0.098 176.757 176.600 0.098 0.000 1.028 105 E CA -0.415 56.038 56.400 0.088 0.000 0.899 105 E CB 0.186 29.933 29.700 0.078 0.000 1.032 105 E HN 0.275 nan 8.360 nan 0.000 0.468 106 M N 1.490 121.136 119.600 0.076 0.000 2.190 106 M HA 0.343 4.823 4.480 -0.000 0.000 0.312 106 M C -1.580 174.772 176.300 0.088 0.000 0.990 106 M CA -0.638 54.698 55.300 0.060 0.000 0.927 106 M CB 0.963 33.566 32.600 0.005 0.000 1.571 106 M HN -0.152 nan 8.290 nan 0.000 0.427 107 L N 4.857 126.163 121.223 0.138 0.000 2.431 107 L HA 0.653 4.993 4.340 -0.000 0.000 0.260 107 L C -0.443 176.484 176.870 0.097 0.000 1.098 107 L CA -0.980 53.954 54.840 0.156 0.000 0.800 107 L CB 1.363 43.589 42.059 0.277 0.000 1.210 107 L HN 0.793 nan 8.230 nan 0.000 0.465 108 I N 0.744 121.376 120.570 0.104 0.000 2.548 108 I HA 0.625 4.795 4.170 -0.000 0.000 0.287 108 I C -1.037 175.156 176.117 0.128 0.000 1.103 108 I CA -0.205 61.142 61.300 0.078 0.000 1.049 108 I CB 1.642 39.684 38.000 0.070 0.000 1.232 108 I HN 0.704 nan 8.210 nan 0.000 0.429 109 A N 4.718 127.623 122.820 0.142 0.000 2.355 109 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 109 A C -0.999 176.688 177.584 0.172 0.000 1.117 109 A CA -0.542 51.621 52.037 0.210 0.000 0.785 109 A CB 1.939 21.168 19.000 0.381 0.000 1.254 109 A HN 0.588 nan 8.150 nan 0.000 0.453 110 S N -0.276 115.528 115.700 0.174 0.000 2.572 110 S HA 0.706 5.176 4.470 -0.000 0.000 0.274 110 S C -0.886 173.797 174.600 0.139 0.000 1.150 110 S CA -0.175 58.131 58.200 0.175 0.000 0.944 110 S CB 1.572 64.903 63.200 0.218 0.000 1.071 110 S HN 1.190 nan 8.310 nan 0.000 0.479 111 T N 2.657 117.288 114.554 0.129 0.000 2.900 111 T HA 0.859 5.209 4.350 -0.000 0.000 0.295 111 T C 0.189 174.941 174.700 0.087 0.000 1.044 111 T CA 0.757 62.915 62.100 0.096 0.000 0.995 111 T CB 1.042 69.962 68.868 0.087 0.000 1.072 111 T HN 1.445 nan 8.240 nan 0.000 0.473 112 G N 1.946 110.784 108.800 0.064 0.000 2.240 112 G HA2 0.145 4.105 3.960 -0.000 0.000 0.199 112 G HA3 0.145 4.105 3.960 -0.000 0.000 0.199 112 G C -0.958 173.964 174.900 0.036 0.000 1.342 112 G CA -0.183 44.949 45.100 0.053 0.000 1.145 112 G HN 0.946 nan 8.290 nan 0.000 0.477 113 V N 1.343 121.277 119.914 0.033 0.000 2.843 113 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 113 V C 0.928 177.027 176.094 0.009 0.000 1.065 113 V CA 0.252 62.562 62.300 0.017 0.000 1.116 113 V CB 1.025 32.858 31.823 0.017 0.000 0.968 113 V HN 0.551 nan 8.190 nan 0.000 0.487 114 I N 2.578 123.147 120.570 -0.001 0.000 2.437 114 I HA 0.557 4.727 4.170 -0.000 0.000 0.298 114 I C 1.168 177.281 176.117 -0.007 0.000 0.984 114 I CA 0.256 61.554 61.300 -0.004 0.000 1.214 114 I CB 1.423 39.417 38.000 -0.009 0.000 1.365 114 I HN 0.877 nan 8.210 nan 0.000 0.469 115 G N 3.322 112.119 108.800 -0.005 0.000 2.176 115 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 115 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 115 G C 0.111 175.004 174.900 -0.010 0.000 1.024 115 G CA 0.385 45.483 45.100 -0.002 0.000 0.755 115 G HN 0.956 nan 8.290 nan 0.000 0.507 116 R N 0.153 120.640 120.500 -0.022 0.000 2.468 116 R HA 0.721 5.061 4.340 -0.000 0.000 0.302 116 R C 0.379 176.660 176.300 -0.031 0.000 1.041 116 R CA -0.487 55.605 56.100 -0.012 0.000 0.899 116 R CB 0.596 30.901 30.300 0.007 0.000 1.167 116 R HN 0.424 nan 8.270 nan 0.000 0.483 117 Q N 1.200 120.986 119.800 -0.023 0.000 2.450 117 Q HA 0.030 4.370 4.340 -0.000 0.000 0.294 117 Q C -0.300 175.732 176.000 0.054 0.000 1.129 117 Q CA 0.506 56.293 55.803 -0.026 0.000 0.970 117 Q CB 0.122 28.867 28.738 0.012 0.000 1.294 117 Q HN 0.620 nan 8.270 nan 0.000 0.453 118 Y N 1.701 122.018 120.300 0.029 0.000 2.357 118 Y HA 0.087 4.637 4.550 -0.000 0.000 0.340 118 Y C -1.364 174.550 175.900 0.024 0.000 1.260 118 Y CA -1.960 56.160 58.100 0.033 0.000 1.425 118 Y CB -0.117 38.369 38.460 0.044 0.000 1.326 118 Y HN 0.404 nan 8.280 nan 0.000 0.580 119 P HA 0.066 nan 4.420 nan 0.000 0.225 119 P C 0.354 177.684 177.300 0.049 0.000 1.830 119 P CA -0.021 63.130 63.100 0.084 0.000 1.051 119 P CB 0.233 31.963 31.700 0.049 0.000 1.929 120 M N 1.233 120.879 119.600 0.076 0.000 2.195 120 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 120 M C 2.246 178.549 176.300 0.005 0.000 1.066 120 M CA 2.146 57.472 55.300 0.044 0.000 1.089 120 M CB -1.869 30.773 32.600 0.069 0.000 1.377 120 M HN 0.314 nan 8.290 nan 0.000 0.411 121 E N -0.014 120.189 120.200 0.005 0.000 2.031 121 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 121 E C 2.208 178.792 176.600 -0.025 0.000 0.994 121 E CA 1.925 58.320 56.400 -0.008 0.000 0.800 121 E CB -1.114 28.584 29.700 -0.004 0.000 0.752 121 E HN 0.539 nan 8.360 nan 0.000 0.447 122 S N -0.121 115.561 115.700 -0.030 0.000 2.353 122 S HA -0.136 4.334 4.470 -0.000 0.000 0.222 122 S C 2.184 176.736 174.600 -0.080 0.000 1.035 122 S CA 1.504 59.674 58.200 -0.050 0.000 1.025 122 S CB -0.512 62.656 63.200 -0.053 0.000 0.902 122 S HN 0.531 nan 8.310 nan 0.000 0.440 123 I N 1.037 121.544 120.570 -0.104 0.000 2.163 123 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 123 I C 2.873 178.905 176.117 -0.141 0.000 1.085 123 I CA 1.556 62.754 61.300 -0.171 0.000 1.347 123 I CB -0.434 37.460 38.000 -0.177 0.000 1.044 123 I HN 0.295 nan 8.210 nan 0.000 0.408 124 R N 0.636 121.085 120.500 -0.085 0.000 2.096 124 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 124 R C 2.613 178.866 176.300 -0.077 0.000 1.127 124 R CA 1.773 57.830 56.100 -0.073 0.000 0.968 124 R CB -0.638 29.637 30.300 -0.041 0.000 0.861 124 R HN 0.504 nan 8.270 nan 0.000 0.440 125 E N 0.615 120.780 120.200 -0.058 0.000 2.110 125 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 125 E C 1.657 178.225 176.600 -0.052 0.000 0.988 125 E CA 1.820 58.192 56.400 -0.047 0.000 0.804 125 E CB -0.838 28.845 29.700 -0.029 0.000 0.745 125 E HN 0.572 nan 8.360 nan 0.000 0.458 126 H N -0.152 118.812 119.070 -0.177 0.000 2.395 126 H HA 0.179 4.735 4.556 -0.000 0.000 0.299 126 H C 2.085 177.273 175.328 -0.234 0.000 1.070 126 H CA 1.356 57.273 56.048 -0.217 0.000 1.356 126 H CB -0.221 29.340 29.762 -0.335 0.000 1.401 126 H HN 0.310 nan 8.280 nan 0.000 0.524 127 L N 0.169 121.193 121.223 -0.332 0.000 2.131 127 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 127 L C 2.695 179.411 176.870 -0.257 0.000 1.092 127 L CA 1.613 56.257 54.840 -0.327 0.000 0.759 127 L CB -0.596 41.350 42.059 -0.188 0.000 0.903 127 L HN 0.457 nan 8.230 nan 0.000 0.435 128 K N -0.199 120.088 120.400 -0.190 0.000 2.515 128 K HA -0.108 4.212 4.320 -0.000 0.000 0.196 128 K C 1.765 178.273 176.600 -0.153 0.000 1.038 128 K CA 1.533 57.738 56.287 -0.137 0.000 0.967 128 K CB -1.155 31.290 32.500 -0.091 0.000 0.780 128 K HN 0.609 nan 8.250 nan 0.000 0.483 129 T N -2.966 111.449 114.554 -0.231 0.000 2.985 129 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 129 T C 0.622 175.163 174.700 -0.265 0.000 1.021 129 T CA -0.188 61.789 62.100 -0.205 0.000 0.957 129 T CB -0.250 68.519 68.868 -0.165 0.000 1.047 129 T HN 0.195 nan 8.240 nan 0.000 0.511 130 L N 2.999 123.983 121.223 -0.398 0.000 2.601 130 L HA 0.504 4.844 4.340 -0.000 0.000 0.277 130 L C 0.188 176.882 176.870 -0.293 0.000 1.219 130 L CA 1.076 55.650 54.840 -0.445 0.000 0.915 130 L CB -0.696 41.077 42.059 -0.476 0.000 1.160 130 L HN 0.546 nan 8.230 nan 0.000 0.494 131 E N 3.982 124.026 120.200 -0.260 0.000 2.446 131 E HA 0.390 4.740 4.350 -0.000 0.000 0.276 131 E C -1.470 175.060 176.600 -0.117 0.000 0.969 131 E CA -0.747 55.574 56.400 -0.131 0.000 0.800 131 E CB 0.385 30.068 29.700 -0.028 0.000 1.341 131 E HN 0.617 nan 8.360 nan 0.000 0.460 132 W N 2.520 123.773 121.300 -0.078 0.000 2.264 132 W HA 0.361 5.021 4.660 -0.000 0.000 0.331 132 W C -1.513 174.987 176.519 -0.031 0.000 1.364 132 W CA -0.445 56.864 57.345 -0.060 0.000 1.253 132 W CB 0.639 30.067 29.460 -0.054 0.000 1.215 132 W HN 0.457 nan 8.180 nan 0.000 0.561 133 P HA 0.266 nan 4.420 nan 0.000 0.274 133 P C -0.844 176.547 177.300 0.151 0.000 1.231 133 P CA -0.367 62.829 63.100 0.161 0.000 0.790 133 P CB 0.861 32.641 31.700 0.134 0.000 0.951 134 A N 1.374 124.253 122.820 0.098 0.000 2.363 134 A HA 0.612 4.932 4.320 -0.000 0.000 0.270 134 A C 0.735 178.353 177.584 0.056 0.000 1.121 134 A CA 0.390 52.467 52.037 0.066 0.000 0.800 134 A CB -0.671 18.358 19.000 0.047 0.000 1.052 134 A HN 0.968 nan 8.150 nan 0.000 0.493 135 G N 1.831 110.657 108.800 0.044 0.000 2.733 135 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 135 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 135 G C -0.585 174.346 174.900 0.051 0.000 1.373 135 G CA -0.097 45.027 45.100 0.040 0.000 0.838 135 G HN 0.965 nan 8.290 nan 0.000 0.588 136 E N -0.118 120.114 120.200 0.054 0.000 2.254 136 E HA 0.692 5.042 4.350 -0.000 0.000 0.261 136 E C 0.869 177.507 176.600 0.063 0.000 1.051 136 E CA 0.104 56.548 56.400 0.074 0.000 0.902 136 E CB 1.390 31.150 29.700 0.100 0.000 1.168 136 E HN 2.184 nan 8.360 nan 0.000 0.423 137 G N -0.653 108.182 108.800 0.058 0.000 2.698 137 G HA2 0.100 4.059 3.960 -0.000 0.000 0.225 137 G HA3 0.100 4.059 3.960 -0.000 0.000 0.225 137 G C 0.522 175.329 174.900 -0.154 0.000 1.345 137 G CA -0.138 44.973 45.100 0.018 0.000 0.871 137 G HN 1.291 nan 8.290 nan 0.000 0.540 138 G N -2.812 105.922 108.800 -0.111 0.000 2.159 138 G HA2 0.057 4.017 3.960 -0.000 0.000 0.170 138 G HA3 0.057 4.017 3.960 -0.000 0.000 0.170 138 G C 0.897 175.697 174.900 -0.167 0.000 1.007 138 G CA 0.513 45.533 45.100 -0.132 0.000 0.672 138 G HN 1.390 nan 8.290 nan 0.000 0.507 139 F N 1.343 121.302 119.950 0.014 0.000 2.216 139 F HA 0.040 4.567 4.527 -0.000 0.000 0.300 139 F C 2.736 178.534 175.800 -0.004 0.000 1.085 139 F CA 2.447 60.446 58.000 -0.001 0.000 1.326 139 F CB -0.564 38.433 39.000 -0.005 0.000 1.027 139 F HN 0.366 nan 8.300 nan 0.000 0.497 140 D N 0.857 121.351 120.400 0.156 0.000 2.097 140 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 140 D C 2.074 178.403 176.300 0.049 0.000 0.989 140 D CA 1.627 55.681 54.000 0.090 0.000 0.827 140 D CB -0.888 39.951 40.800 0.065 0.000 0.966 140 D HN 0.471 nan 8.370 nan 0.000 0.456 141 R N -0.420 120.091 120.500 0.017 0.000 2.276 141 R HA 0.462 4.802 4.340 -0.000 0.000 0.203 141 R C 2.435 178.723 176.300 -0.020 0.000 1.017 141 R CA 1.012 57.107 56.100 -0.010 0.000 1.010 141 R CB -0.021 30.260 30.300 -0.032 0.000 0.900 141 R HN 0.356 nan 8.270 nan 0.000 0.469 142 A N 2.012 124.825 122.820 -0.013 0.000 1.874 142 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 142 A C 2.513 180.118 177.584 0.036 0.000 1.189 142 A CA 1.054 53.081 52.037 -0.016 0.000 0.615 142 A CB -0.651 18.340 19.000 -0.015 0.000 0.830 142 A HN 0.417 nan 8.150 nan 0.000 0.443 143 A N -0.121 122.743 122.820 0.073 0.000 1.986 143 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 143 A C 2.238 179.847 177.584 0.042 0.000 1.171 143 A CA 1.787 53.866 52.037 0.069 0.000 0.640 143 A CB -0.444 18.596 19.000 0.067 0.000 0.811 143 A HN 0.560 nan 8.150 nan 0.000 0.451 144 R N -1.237 119.280 120.500 0.027 0.000 2.127 144 R HA 0.148 4.488 4.340 -0.000 0.000 0.217 144 R C 2.249 178.554 176.300 0.009 0.000 1.074 144 R CA 0.837 56.946 56.100 0.016 0.000 0.991 144 R CB -0.222 30.083 30.300 0.008 0.000 0.895 144 R HN 0.472 nan 8.270 nan 0.000 0.450 145 A N 1.432 124.252 122.820 0.001 0.000 2.167 145 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 145 A C 1.915 179.503 177.584 0.007 0.000 1.151 145 A CA 0.547 52.579 52.037 -0.008 0.000 0.735 145 A CB -0.365 18.613 19.000 -0.036 0.000 0.802 145 A HN 0.425 nan 8.150 nan 0.000 0.467 146 I N -4.103 116.485 120.570 0.029 0.000 3.883 146 I HA 0.280 4.450 4.170 -0.000 0.000 0.326 146 I C 0.433 176.583 176.117 0.055 0.000 1.283 146 I CA -0.285 61.049 61.300 0.057 0.000 1.161 146 I CB -0.159 37.910 38.000 0.115 0.000 1.012 146 I HN 0.041 nan 8.210 nan 0.000 0.421 147 M N 2.117 121.740 119.600 0.039 0.000 2.240 147 M HA 0.207 4.687 4.480 -0.000 0.000 0.333 147 M C 1.137 177.454 176.300 0.029 0.000 1.110 147 M CA 0.552 55.871 55.300 0.032 0.000 1.173 147 M CB 1.002 33.616 32.600 0.023 0.000 1.458 147 M HN 0.374 nan 8.290 nan 0.000 0.458 148 T N -3.489 111.080 114.554 0.026 0.000 3.364 148 T HA 0.074 4.424 4.350 -0.000 0.000 0.179 148 T C 1.304 176.010 174.700 0.010 0.000 0.939 148 T CA 0.415 62.528 62.100 0.021 0.000 1.094 148 T CB -0.451 68.432 68.868 0.025 0.000 1.532 148 T HN 0.700 nan 8.240 nan 0.000 0.346 149 T N 0.542 115.100 114.554 0.006 0.000 3.169 149 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 149 T C -0.321 174.380 174.700 0.002 0.000 1.111 149 T CA -0.319 61.778 62.100 -0.005 0.000 1.010 149 T CB -1.094 67.761 68.868 -0.022 0.000 0.984 149 T HN 0.400 nan 8.240 nan 0.000 0.537 150 D N 2.285 122.692 120.400 0.011 0.000 2.399 150 D HA 0.257 4.897 4.640 -0.000 0.000 0.241 150 D C 1.492 177.799 176.300 0.012 0.000 1.133 150 D CA 0.468 54.477 54.000 0.015 0.000 0.890 150 D CB 1.286 42.098 40.800 0.020 0.000 1.201 150 D HN 0.341 nan 8.370 nan 0.000 0.432 151 T N -1.952 112.610 114.554 0.013 0.000 3.040 151 T HA 0.253 4.603 4.350 -0.000 0.000 0.252 151 T C 0.935 175.642 174.700 0.011 0.000 1.064 151 T CA 0.032 62.138 62.100 0.010 0.000 1.110 151 T CB 0.085 68.959 68.868 0.011 0.000 0.921 151 T HN 0.444 nan 8.240 nan 0.000 0.480 152 R N 1.852 122.360 120.500 0.014 0.000 2.686 152 R HA 0.797 5.137 4.340 -0.000 0.000 0.283 152 R C -3.364 172.945 176.300 0.015 0.000 0.978 152 R CA -2.284 53.825 56.100 0.013 0.000 0.897 152 R CB 0.002 30.309 30.300 0.012 0.000 1.192 152 R HN 0.320 nan 8.270 nan 0.000 0.457 153 P HA 0.257 nan 4.420 nan 0.000 0.272 153 P C -1.251 176.060 177.300 0.017 0.000 1.223 153 P CA -0.182 62.930 63.100 0.019 0.000 0.784 153 P CB 0.830 32.543 31.700 0.022 0.000 0.923 154 K N 1.511 121.921 120.400 0.016 0.000 2.559 154 K HA 0.401 4.721 4.320 -0.000 0.000 0.249 154 K C -0.240 176.358 176.600 -0.003 0.000 0.958 154 K CA -0.444 55.847 56.287 0.007 0.000 0.901 154 K CB 1.961 34.468 32.500 0.010 0.000 1.124 154 K HN 0.449 nan 8.250 nan 0.000 0.437 155 E N 2.375 122.571 120.200 -0.006 0.000 2.369 155 E HA 0.634 4.984 4.350 -0.000 0.000 0.270 155 E C -1.808 174.774 176.600 -0.031 0.000 0.909 155 E CA -1.086 55.302 56.400 -0.020 0.000 0.775 155 E CB 2.461 32.169 29.700 0.014 0.000 1.270 155 E HN 0.224 nan 8.360 nan 0.000 0.445 156 V N 2.890 122.770 119.914 -0.056 0.000 3.000 156 V HA 0.555 4.675 4.120 -0.000 0.000 0.300 156 V C -1.945 174.118 176.094 -0.053 0.000 1.251 156 V CA -0.516 61.761 62.300 -0.037 0.000 0.972 156 V CB 2.018 33.833 31.823 -0.014 0.000 1.065 156 V HN 0.738 nan 8.190 nan 0.000 0.431 157 R N 4.482 124.963 120.500 -0.032 0.000 2.575 157 R HA 0.863 5.202 4.340 -0.000 0.000 0.293 157 R C -1.785 174.507 176.300 -0.013 0.000 0.983 157 R CA -0.758 55.322 56.100 -0.035 0.000 0.887 157 R CB 2.468 32.753 30.300 -0.026 0.000 1.184 157 R HN 0.484 nan 8.270 nan 0.000 0.445 158 V N 1.338 121.246 119.914 -0.010 0.000 2.733 158 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 158 V C 0.038 176.138 176.094 0.010 0.000 1.084 158 V CA -0.754 61.542 62.300 -0.006 0.000 0.905 158 V CB 1.797 33.604 31.823 -0.026 0.000 1.010 158 V HN 1.029 nan 8.190 nan 0.000 0.424 159 S N 2.731 118.442 115.700 0.019 0.000 2.562 159 S HA 0.818 5.288 4.470 -0.000 0.000 0.275 159 S C -0.480 174.145 174.600 0.042 0.000 1.281 159 S CA -0.516 57.707 58.200 0.039 0.000 1.045 159 S CB 1.119 64.341 63.200 0.036 0.000 0.962 159 S HN 0.685 nan 8.310 nan 0.000 0.503 160 V N 1.675 121.633 119.914 0.073 0.000 2.624 160 V HA 0.592 4.712 4.120 -0.000 0.000 0.294 160 V C 0.759 176.916 176.094 0.105 0.000 1.077 160 V CA 0.090 62.443 62.300 0.088 0.000 0.905 160 V CB 0.793 32.687 31.823 0.119 0.000 1.025 160 V HN 1.866 nan 8.190 nan 0.000 0.440 161 G N 3.268 112.114 108.800 0.077 0.000 2.390 161 G HA2 0.087 4.047 3.960 -0.000 0.000 0.299 161 G HA3 0.087 4.047 3.960 -0.000 0.000 0.299 161 G C 1.317 176.258 174.900 0.067 0.000 1.002 161 G CA 1.231 46.372 45.100 0.069 0.000 0.979 161 G HN 2.481 nan 8.290 nan 0.000 0.513 162 G N -2.313 106.525 108.800 0.063 0.000 2.199 162 G HA2 0.155 4.115 3.960 -0.000 0.000 0.254 162 G HA3 0.155 4.115 3.960 -0.000 0.000 0.254 162 G C 0.807 175.752 174.900 0.076 0.000 0.982 162 G CA 1.299 46.436 45.100 0.061 0.000 0.632 162 G HN 2.303 nan 8.290 nan 0.000 0.529 163 A N -0.732 122.146 122.820 0.097 0.000 2.261 163 A HA 0.916 5.236 4.320 -0.000 0.000 0.323 163 A C 0.218 177.877 177.584 0.126 0.000 1.107 163 A CA 0.639 52.749 52.037 0.122 0.000 0.883 163 A CB 1.180 20.270 19.000 0.151 0.000 1.251 163 A HN 0.771 nan 8.150 nan 0.000 0.502 164 T N 0.572 115.209 114.554 0.140 0.000 2.863 164 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 164 T C -1.235 173.536 174.700 0.118 0.000 1.009 164 T CA -0.218 61.948 62.100 0.110 0.000 0.989 164 T CB 1.249 70.174 68.868 0.095 0.000 1.004 164 T HN 0.646 nan 8.240 nan 0.000 0.455 165 L N 3.795 125.060 121.223 0.070 0.000 2.349 165 L HA 0.787 5.127 4.340 -0.000 0.000 0.278 165 L C -1.308 175.541 176.870 -0.035 0.000 0.996 165 L CA -0.545 54.330 54.840 0.059 0.000 0.825 165 L CB 1.365 43.453 42.059 0.049 0.000 1.243 165 L HN 0.483 nan 8.230 nan 0.000 0.412 166 V N 4.021 123.838 119.914 -0.161 0.000 2.628 166 V HA 0.937 5.057 4.120 -0.000 0.000 0.306 166 V C 0.275 176.181 176.094 -0.313 0.000 1.045 166 V CA -0.184 61.910 62.300 -0.343 0.000 0.905 166 V CB 1.814 33.137 31.823 -0.833 0.000 0.997 166 V HN 0.924 nan 8.190 nan 0.000 0.436 167 G N 4.501 113.124 108.800 -0.295 0.000 2.701 167 G HA2 0.759 4.719 3.960 -0.000 0.000 0.300 167 G HA3 0.759 4.719 3.960 -0.000 0.000 0.300 167 G C -1.252 173.419 174.900 -0.381 0.000 1.410 167 G CA -0.541 44.241 45.100 -0.531 0.000 1.014 167 G HN 0.878 nan 8.290 nan 0.000 0.509 168 I N -0.400 119.952 120.570 -0.362 0.000 2.689 168 I HA 0.962 5.132 4.170 -0.000 0.000 0.299 168 I C -0.206 175.799 176.117 -0.186 0.000 1.059 168 I CA -1.298 59.917 61.300 -0.141 0.000 1.055 168 I CB 2.445 40.472 38.000 0.046 0.000 1.243 168 I HN 0.722 nan 8.210 nan 0.000 0.425 169 A N 4.511 127.275 122.820 -0.095 0.000 2.569 169 A HA 0.899 5.219 4.320 -0.000 0.000 0.290 169 A C -1.299 176.268 177.584 -0.029 0.000 1.136 169 A CA -0.644 51.330 52.037 -0.106 0.000 0.710 169 A CB 2.225 21.214 19.000 -0.017 0.000 1.303 169 A HN 0.847 nan 8.150 nan 0.000 0.413 170 K N 0.153 120.531 120.400 -0.036 0.000 2.551 170 K HA 0.643 4.963 4.320 -0.000 0.000 0.269 170 K C -0.806 175.798 176.600 0.007 0.000 0.949 170 K CA 0.309 56.599 56.287 0.005 0.000 0.849 170 K CB 1.793 34.309 32.500 0.027 0.000 1.411 170 K HN 2.608 nan 8.250 nan 0.000 0.432 171 G N 0.745 109.560 108.800 0.026 0.000 3.313 171 G HA2 0.093 4.053 3.960 -0.000 0.000 0.659 171 G HA3 0.093 4.053 3.960 -0.000 0.000 0.659 171 G C -0.410 174.519 174.900 0.049 0.000 1.286 171 G CA -0.201 44.919 45.100 0.034 0.000 1.077 171 G HN 1.199 nan 8.290 nan 0.000 0.551 172 V N -0.283 119.660 119.914 0.049 0.000 3.415 172 V HA 0.812 4.932 4.120 -0.000 0.000 0.315 172 V C 0.765 176.909 176.094 0.083 0.000 1.516 172 V CA 0.896 63.233 62.300 0.062 0.000 1.122 172 V CB 0.516 32.368 31.823 0.049 0.000 0.988 172 V HN 2.239 nan 8.190 nan 0.000 0.474 173 G N -0.944 107.902 108.800 0.077 0.000 2.677 173 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 173 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 173 G C -0.291 174.660 174.900 0.085 0.000 1.435 173 G CA -0.465 44.696 45.100 0.101 0.000 0.826 173 G HN 0.747 nan 8.290 nan 0.000 0.491 174 M N -0.251 119.411 119.600 0.104 0.000 2.212 174 M HA -0.164 4.316 4.480 -0.000 0.000 0.193 174 M C -1.425 174.917 176.300 0.070 0.000 0.493 174 M CA 0.454 55.799 55.300 0.075 0.000 0.427 174 M CB -0.835 31.794 32.600 0.047 0.000 1.120 174 M HN 0.490 nan 8.290 nan 0.000 0.929 175 L N 1.650 122.922 121.223 0.082 0.000 2.427 175 L HA 0.531 4.871 4.340 -0.000 0.000 0.264 175 L C -0.425 176.489 176.870 0.073 0.000 0.989 175 L CA 0.007 54.893 54.840 0.076 0.000 0.865 175 L CB 1.453 43.562 42.059 0.082 0.000 1.209 175 L HN 0.403 nan 8.230 nan 0.000 0.430 176 E N 6.175 126.416 120.200 0.068 0.000 2.956 176 E HA 0.255 4.605 4.350 -0.000 0.000 0.353 176 E C -2.755 173.884 176.600 0.064 0.000 1.131 176 E CA -1.195 55.244 56.400 0.064 0.000 0.851 176 E CB 0.948 30.675 29.700 0.045 0.000 1.500 176 E HN 0.247 nan 8.360 nan 0.000 0.384 177 P HA 0.090 nan 4.420 nan 0.000 0.267 177 P C -0.394 176.945 177.300 0.064 0.000 1.200 177 P CA 0.303 63.446 63.100 0.072 0.000 0.772 177 P CB 0.799 32.549 31.700 0.084 0.000 0.855 178 D N 1.873 122.306 120.400 0.054 0.000 2.968 178 D HA 0.249 4.888 4.640 -0.000 0.000 0.301 178 D C -0.472 175.857 176.300 0.048 0.000 1.226 178 D CA -0.189 53.838 54.000 0.044 0.000 0.746 178 D CB -0.389 40.432 40.800 0.036 0.000 1.278 178 D HN 0.143 nan 8.370 nan 0.000 0.544 179 M N 0.746 120.371 119.600 0.043 0.000 2.274 179 M HA 0.645 5.125 4.480 -0.000 0.000 0.344 179 M C 0.728 177.047 176.300 0.031 0.000 1.161 179 M CA -0.348 54.975 55.300 0.040 0.000 1.126 179 M CB 2.060 34.659 32.600 -0.002 0.000 1.522 179 M HN 0.212 nan 8.290 nan 0.000 0.461 180 A N 0.577 123.432 122.820 0.058 0.000 2.699 180 A HA 0.254 4.574 4.320 -0.000 0.000 0.242 180 A C 0.098 177.743 177.584 0.101 0.000 1.142 180 A CA -0.345 51.729 52.037 0.062 0.000 1.008 180 A CB 0.330 19.369 19.000 0.065 0.000 1.232 180 A HN 0.684 nan 8.150 nan 0.000 0.574 181 T N 2.040 116.618 114.554 0.040 0.000 2.799 181 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 181 T C -0.486 174.227 174.700 0.022 0.000 0.973 181 T CA -0.152 61.971 62.100 0.038 0.000 1.035 181 T CB 1.369 70.263 68.868 0.044 0.000 0.932 181 T HN 0.300 nan 8.240 nan 0.000 0.469 182 L N 5.784 127.009 121.223 0.004 0.000 2.264 182 L HA 0.555 4.895 4.340 -0.000 0.000 0.289 182 L C -1.335 175.458 176.870 -0.128 0.000 1.044 182 L CA -0.463 54.347 54.840 -0.050 0.000 0.807 182 L CB 0.217 42.251 42.059 -0.042 0.000 1.192 182 L HN 0.633 nan 8.230 nan 0.000 0.425 183 L N 5.101 126.216 121.223 -0.181 0.000 2.376 183 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 183 L C -0.330 176.200 176.870 -0.566 0.000 0.987 183 L CA -0.234 54.413 54.840 -0.323 0.000 0.828 183 L CB 2.154 44.176 42.059 -0.061 0.000 1.249 183 L HN 0.619 nan 8.230 nan 0.000 0.409 184 T N 2.775 116.746 114.554 -0.971 0.000 2.933 184 T HA 0.746 5.095 4.350 -0.000 0.000 0.305 184 T C -1.445 172.560 174.700 -1.158 0.000 1.092 184 T CA -0.238 61.312 62.100 -0.917 0.000 1.008 184 T CB 0.949 69.287 68.868 -0.885 0.000 1.102 184 T HN 0.212 nan 8.240 nan 0.000 0.469 185 F N 3.463 123.254 119.950 -0.265 0.000 2.569 185 F HA 0.735 5.262 4.527 -0.000 0.000 0.312 185 F C -0.882 174.736 175.800 -0.304 0.000 1.109 185 F CA -1.066 56.878 58.000 -0.094 0.000 0.919 185 F CB 1.666 40.712 39.000 0.077 0.000 1.211 185 F HN 0.448 nan 8.300 nan 0.000 0.446 186 F N 1.726 121.795 119.950 0.199 0.000 2.520 186 F HA 0.802 5.329 4.527 -0.000 0.000 0.322 186 F C -0.118 175.725 175.800 0.072 0.000 1.103 186 F CA -0.989 57.061 58.000 0.084 0.000 0.926 186 F CB 2.121 41.181 39.000 0.101 0.000 1.154 186 F HN 0.565 nan 8.300 nan 0.000 0.453 187 A N 1.827 124.647 122.820 0.000 0.000 2.359 187 A HA 0.760 5.080 4.320 -0.000 0.000 0.303 187 A C -0.793 176.649 177.584 -0.237 0.000 1.066 187 A CA -0.618 51.208 52.037 -0.351 0.000 0.730 187 A CB 1.742 20.082 19.000 -1.101 0.000 1.211 187 A HN 0.669 nan 8.150 nan 0.000 0.439 188 T N 0.143 114.726 114.554 0.048 0.000 2.903 188 T HA 0.509 4.859 4.350 -0.000 0.000 0.299 188 T C -0.650 174.291 174.700 0.402 0.000 1.093 188 T CA -0.077 62.164 62.100 0.236 0.000 1.002 188 T CB 1.323 70.407 68.868 0.360 0.000 1.127 188 T HN 0.659 nan 8.240 nan 0.000 0.488 189 D N 1.458 122.057 120.400 0.331 0.000 2.368 189 D HA 0.354 4.994 4.640 -0.000 0.000 0.218 189 D C 0.739 177.129 176.300 0.150 0.000 1.112 189 D CA -0.321 53.846 54.000 0.277 0.000 0.834 189 D CB -0.137 40.805 40.800 0.237 0.000 0.953 189 D HN 0.582 nan 8.370 nan 0.000 0.505 190 A N 0.243 123.134 122.820 0.118 0.000 2.407 190 A HA 0.616 4.936 4.320 -0.000 0.000 0.248 190 A C 0.761 178.318 177.584 -0.044 0.000 1.082 190 A CA -0.271 51.780 52.037 0.023 0.000 0.785 190 A CB 0.170 19.152 19.000 -0.030 0.000 1.020 190 A HN 0.422 nan 8.150 nan 0.000 0.489 191 R N 1.510 121.981 120.500 -0.047 0.000 2.229 191 R HA 0.652 4.992 4.340 -0.000 0.000 0.328 191 R C -0.800 175.436 176.300 -0.106 0.000 1.009 191 R CA -0.204 55.864 56.100 -0.054 0.000 0.864 191 R CB -0.204 30.083 30.300 -0.023 0.000 1.085 191 R HN 0.752 nan 8.270 nan 0.000 0.453 192 L N 1.080 122.225 121.223 -0.130 0.000 2.333 192 L HA 0.468 4.808 4.340 -0.000 0.000 0.263 192 L C -0.566 176.254 176.870 -0.083 0.000 1.014 192 L CA -1.413 53.335 54.840 -0.153 0.000 0.820 192 L CB 2.577 44.467 42.059 -0.282 0.000 1.352 192 L HN 0.809 nan 8.230 nan 0.000 0.421 193 D N 1.566 121.931 120.400 -0.059 0.000 2.312 193 D HA 0.197 4.837 4.640 -0.000 0.000 0.252 193 D C -1.855 174.429 176.300 -0.027 0.000 1.150 193 D CA -1.497 52.485 54.000 -0.030 0.000 0.870 193 D CB 1.627 42.417 40.800 -0.015 0.000 1.153 193 D HN 0.117 nan 8.370 nan 0.000 0.457 194 P HA -0.285 nan 4.420 nan 0.000 0.218 194 P C 0.993 178.293 177.300 -0.001 0.000 1.165 194 P CA 2.547 65.640 63.100 -0.012 0.000 0.922 194 P CB 0.049 31.748 31.700 -0.001 0.000 0.794 195 A N -0.488 122.336 122.820 0.007 0.000 1.883 195 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 195 A C 2.187 179.785 177.584 0.024 0.000 1.186 195 A CA 2.051 54.099 52.037 0.017 0.000 0.624 195 A CB -1.380 17.630 19.000 0.017 0.000 0.822 195 A HN 0.210 nan 8.150 nan 0.000 0.444 196 E N -0.939 119.272 120.200 0.018 0.000 2.110 196 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 196 E C 2.274 178.901 176.600 0.044 0.000 0.988 196 E CA 1.302 57.718 56.400 0.028 0.000 0.804 196 E CB -0.139 29.571 29.700 0.017 0.000 0.745 196 E HN 0.805 nan 8.360 nan 0.000 0.458 197 Q N 0.741 120.553 119.800 0.020 0.000 2.050 197 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 197 Q C 1.448 177.504 176.000 0.093 0.000 0.980 197 Q CA 1.725 57.547 55.803 0.031 0.000 0.840 197 Q CB 0.140 28.853 28.738 -0.042 0.000 0.898 197 Q HN 0.194 nan 8.270 nan 0.000 0.424 198 D N 0.021 120.460 120.400 0.066 0.000 2.097 198 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 198 D C 2.035 178.422 176.300 0.145 0.000 0.989 198 D CA 1.130 55.194 54.000 0.106 0.000 0.827 198 D CB -0.174 40.664 40.800 0.063 0.000 0.966 198 D HN 0.302 nan 8.370 nan 0.000 0.456 199 R N 0.505 121.064 120.500 0.097 0.000 2.073 199 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 199 R C 2.600 178.954 176.300 0.089 0.000 1.134 199 R CA 0.546 56.694 56.100 0.080 0.000 0.952 199 R CB -0.666 29.667 30.300 0.056 0.000 0.850 199 R HN 0.228 nan 8.270 nan 0.000 0.433 200 L N 0.361 121.650 121.223 0.110 0.000 2.042 200 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 200 L C 2.283 179.233 176.870 0.133 0.000 1.076 200 L CA 1.573 56.486 54.840 0.122 0.000 0.749 200 L CB -0.355 41.805 42.059 0.168 0.000 0.893 200 L HN 0.070 nan 8.230 nan 0.000 0.432 201 F N 1.356 121.317 119.950 0.020 0.000 2.075 201 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 201 F C 2.975 178.760 175.800 -0.025 0.000 1.113 201 F CA 2.662 60.650 58.000 -0.019 0.000 1.218 201 F CB -0.869 38.112 39.000 -0.031 0.000 0.984 201 F HN 0.085 nan 8.300 nan 0.000 0.472 202 R N 0.829 121.308 120.500 -0.034 0.000 2.127 202 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 202 R C 2.271 178.499 176.300 -0.119 0.000 1.134 202 R CA 1.933 57.964 56.100 -0.116 0.000 0.975 202 R CB -1.554 28.758 30.300 0.020 0.000 0.865 202 R HN 0.476 nan 8.270 nan 0.000 0.447 203 R N -0.176 120.287 120.500 -0.061 0.000 2.075 203 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 203 R C 2.380 178.644 176.300 -0.060 0.000 1.126 203 R CA 1.449 57.529 56.100 -0.034 0.000 0.963 203 R CB -0.397 29.901 30.300 -0.002 0.000 0.858 203 R HN 0.348 nan 8.270 nan 0.000 0.435 204 V N 1.014 120.860 119.914 -0.113 0.000 2.453 204 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 204 V C 2.397 178.362 176.094 -0.216 0.000 1.048 204 V CA 1.324 63.544 62.300 -0.134 0.000 1.049 204 V CB -0.321 31.393 31.823 -0.182 0.000 0.672 204 V HN 0.260 nan 8.190 nan 0.000 0.457 205 M N -0.158 119.258 119.600 -0.308 0.000 2.117 205 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 205 M C 1.951 178.208 176.300 -0.071 0.000 1.065 205 M CA 1.603 56.768 55.300 -0.225 0.000 1.114 205 M CB -1.278 31.078 32.600 -0.405 0.000 1.361 205 M HN 0.332 nan 8.290 nan 0.000 0.408 206 D N -0.217 120.156 120.400 -0.046 0.000 2.263 206 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 206 D C 1.908 178.305 176.300 0.163 0.000 0.971 206 D CA 0.796 54.838 54.000 0.070 0.000 0.867 206 D CB -0.100 40.749 40.800 0.082 0.000 0.929 206 D HN 0.234 nan 8.370 nan 0.000 0.492 207 R N -0.183 120.334 120.500 0.028 0.000 2.334 207 R HA 0.110 4.450 4.340 -0.000 0.000 0.216 207 R C 1.485 177.714 176.300 -0.119 0.000 0.905 207 R CA 0.491 56.548 56.100 -0.071 0.000 1.064 207 R CB 0.510 30.762 30.300 -0.080 0.000 1.046 207 R HN 0.361 nan 8.270 nan 0.000 0.508 208 T N -3.654 110.810 114.554 -0.149 0.000 3.431 208 T HA 0.115 4.465 4.350 -0.000 0.000 0.207 208 T C 1.540 176.076 174.700 -0.274 0.000 0.979 208 T CA -0.173 61.734 62.100 -0.321 0.000 1.141 208 T CB -0.557 67.926 68.868 -0.642 0.000 1.278 208 T HN -0.095 nan 8.240 nan 0.000 0.334 209 F N 2.878 122.790 119.950 -0.064 0.000 2.234 209 F HA 0.266 4.793 4.527 -0.000 0.000 0.299 209 F C 1.888 177.693 175.800 0.008 0.000 1.087 209 F CA 0.669 58.649 58.000 -0.034 0.000 1.340 209 F CB -0.648 38.317 39.000 -0.059 0.000 1.031 209 F HN 0.216 nan 8.300 nan 0.000 0.500 210 N N -0.279 118.519 118.700 0.163 0.000 2.362 210 N HA 0.186 4.926 4.740 -0.000 0.000 0.204 210 N C 0.890 176.501 175.510 0.169 0.000 1.166 210 N CA 0.540 53.672 53.050 0.136 0.000 0.831 210 N CB 0.207 38.754 38.487 0.100 0.000 1.008 210 N HN 0.169 nan 8.380 nan 0.000 0.472 211 A N -0.692 122.250 122.820 0.202 0.000 2.609 211 A HA 0.283 4.603 4.320 -0.000 0.000 0.286 211 A C -0.015 177.723 177.584 0.258 0.000 1.138 211 A CA -0.228 51.991 52.037 0.303 0.000 0.960 211 A CB 0.636 19.890 19.000 0.423 0.000 1.208 211 A HN 0.039 nan 8.150 nan 0.000 0.541 212 V N -0.026 119.999 119.914 0.183 0.000 2.680 212 V HA 0.802 4.922 4.120 -0.000 0.000 0.309 212 V C -0.854 175.314 176.094 0.123 0.000 1.052 212 V CA -0.158 62.245 62.300 0.172 0.000 0.908 212 V CB 2.003 33.902 31.823 0.127 0.000 1.001 212 V HN 0.335 nan 8.190 nan 0.000 0.431 213 S N 6.226 121.990 115.700 0.105 0.000 2.668 213 S HA 0.520 4.990 4.470 -0.000 0.000 0.277 213 S C 0.138 174.772 174.600 0.057 0.000 1.170 213 S CA -0.729 57.513 58.200 0.071 0.000 0.994 213 S CB 1.233 64.460 63.200 0.046 0.000 1.051 213 S HN 0.580 nan 8.310 nan 0.000 0.484 214 I N 3.322 123.926 120.570 0.056 0.000 2.522 214 I HA 0.156 4.326 4.170 -0.000 0.000 0.240 214 I C 1.297 177.407 176.117 -0.012 0.000 1.078 214 I CA 0.974 62.301 61.300 0.045 0.000 1.422 214 I CB -0.808 37.249 38.000 0.094 0.000 1.188 214 I HN 0.782 nan 8.210 nan 0.000 0.442 215 D N -0.839 119.568 120.400 0.013 0.000 2.513 215 D HA 0.018 4.658 4.640 -0.000 0.000 0.222 215 D C 0.951 177.243 176.300 -0.013 0.000 1.210 215 D CA 0.983 54.955 54.000 -0.046 0.000 0.825 215 D CB -0.064 40.764 40.800 0.046 0.000 1.037 215 D HN 0.387 nan 8.370 nan 0.000 0.506 216 T N -2.922 111.636 114.554 0.007 0.000 6.974 216 T HA -0.257 4.093 4.350 -0.000 0.000 0.287 216 T C -0.387 174.326 174.700 0.022 0.000 2.146 216 T CA 1.114 63.220 62.100 0.010 0.000 3.451 216 T CB -2.381 66.483 68.868 -0.007 0.000 1.630 216 T HN 0.253 nan 8.240 nan 0.000 1.173 217 D N 2.865 123.288 120.400 0.037 0.000 2.517 217 D HA 0.296 4.936 4.640 -0.000 0.000 0.220 217 D C 0.273 176.598 176.300 0.042 0.000 1.158 217 D CA 0.175 54.198 54.000 0.039 0.000 0.992 217 D CB 0.829 41.661 40.800 0.052 0.000 1.058 217 D HN 0.542 nan 8.370 nan 0.000 0.516 218 T N 1.209 115.786 114.554 0.039 0.000 2.822 218 T HA -0.035 4.315 4.350 -0.000 0.000 0.288 218 T C 0.896 175.625 174.700 0.048 0.000 0.991 218 T CA 0.333 62.461 62.100 0.046 0.000 1.176 218 T CB 0.680 69.576 68.868 0.045 0.000 0.951 218 T HN 0.126 nan 8.240 nan 0.000 0.526 219 S N 1.976 117.708 115.700 0.053 0.000 2.596 219 S HA 0.141 4.611 4.470 -0.000 0.000 0.260 219 S C 1.624 176.265 174.600 0.068 0.000 1.336 219 S CA -0.069 58.164 58.200 0.054 0.000 0.993 219 S CB 0.405 63.637 63.200 0.054 0.000 0.923 219 S HN 0.877 nan 8.310 nan 0.000 0.567 220 T N -0.482 114.115 114.554 0.072 0.000 3.086 220 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 220 T C 0.740 175.492 174.700 0.088 0.000 1.074 220 T CA 0.182 62.339 62.100 0.094 0.000 0.988 220 T CB 0.087 69.018 68.868 0.106 0.000 0.988 220 T HN 0.355 nan 8.240 nan 0.000 0.530 221 S N 0.651 116.401 115.700 0.083 0.000 2.787 221 S HA 0.207 4.677 4.470 -0.000 0.000 0.255 221 S C -0.492 174.172 174.600 0.106 0.000 1.051 221 S CA -0.599 57.657 58.200 0.093 0.000 1.124 221 S CB 0.260 63.511 63.200 0.084 0.000 1.104 221 S HN 0.401 nan 8.310 nan 0.000 0.623 222 D N 3.693 124.148 120.400 0.091 0.000 2.586 222 D HA 0.170 4.810 4.640 -0.000 0.000 0.234 222 D C -0.144 176.222 176.300 0.110 0.000 1.132 222 D CA 1.219 55.258 54.000 0.065 0.000 0.860 222 D CB 0.508 41.338 40.800 0.050 0.000 1.159 222 D HN 0.099 nan 8.370 nan 0.000 0.490 223 T N 0.822 115.388 114.554 0.021 0.000 2.971 223 T HA 0.670 5.020 4.350 -0.000 0.000 0.304 223 T C -0.780 173.764 174.700 -0.260 0.000 1.038 223 T CA -0.761 61.356 62.100 0.028 0.000 1.007 223 T CB 1.856 70.854 68.868 0.216 0.000 1.055 223 T HN 0.358 nan 8.240 nan 0.000 0.451 224 A N 2.641 125.282 122.820 -0.297 0.000 2.353 224 A HA 0.851 5.171 4.320 -0.000 0.000 0.299 224 A C -0.967 176.565 177.584 -0.087 0.000 1.089 224 A CA -0.615 51.261 52.037 -0.268 0.000 0.736 224 A CB 1.065 19.942 19.000 -0.205 0.000 1.195 224 A HN 0.680 nan 8.150 nan 0.000 0.447 225 V N 2.295 122.182 119.914 -0.045 0.000 2.925 225 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 225 V C -1.144 174.877 176.094 -0.122 0.000 1.104 225 V CA -0.636 61.569 62.300 -0.159 0.000 0.954 225 V CB 1.935 33.695 31.823 -0.105 0.000 1.022 225 V HN 0.921 nan 8.190 nan 0.000 0.427 226 L N 3.654 124.538 121.223 -0.565 0.000 2.376 226 L HA 0.754 5.094 4.340 -0.000 0.000 0.275 226 L C -1.604 175.043 176.870 -0.373 0.000 0.987 226 L CA -0.006 54.646 54.840 -0.313 0.000 0.828 226 L CB 1.342 43.144 42.059 -0.428 0.000 1.249 226 L HN 0.457 nan 8.230 nan 0.000 0.409 227 F N 4.363 124.377 119.950 0.107 0.000 2.444 227 F HA 0.810 5.337 4.527 -0.000 0.000 0.342 227 F C 0.350 176.301 175.800 0.250 0.000 1.121 227 F CA -0.418 57.696 58.000 0.190 0.000 0.997 227 F CB 2.139 41.339 39.000 0.334 0.000 1.130 227 F HN 0.640 nan 8.300 nan 0.000 0.454 228 A N 3.174 126.227 122.820 0.388 0.000 2.411 228 A HA 0.597 4.916 4.320 -0.000 0.000 0.285 228 A C -1.333 176.385 177.584 0.224 0.000 1.129 228 A CA -0.908 51.298 52.037 0.281 0.000 0.736 228 A CB 0.458 19.490 19.000 0.052 0.000 1.186 228 A HN 0.747 nan 8.150 nan 0.000 0.445 229 N N 1.437 120.282 118.700 0.241 0.000 2.444 229 N HA 0.434 5.174 4.740 -0.000 0.000 0.262 229 N C 0.755 176.307 175.510 0.070 0.000 0.974 229 N CA -0.069 53.032 53.050 0.086 0.000 0.933 229 N CB 1.637 40.095 38.487 -0.049 0.000 1.137 229 N HN 0.436 nan 8.380 nan 0.000 0.498 230 G N 1.711 110.532 108.800 0.034 0.000 3.158 230 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.204 230 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.204 230 G C 0.860 175.775 174.900 0.026 0.000 1.226 230 G CA -0.000 45.113 45.100 0.023 0.000 1.039 230 G HN 0.698 nan 8.290 nan 0.000 0.496 231 L N -0.559 120.684 121.223 0.033 0.000 2.261 231 L HA -0.144 4.196 4.340 -0.000 0.000 0.216 231 L C 2.807 179.701 176.870 0.041 0.000 1.114 231 L CA 1.255 56.110 54.840 0.026 0.000 0.777 231 L CB -0.144 41.928 42.059 0.021 0.000 0.910 231 L HN 0.401 nan 8.230 nan 0.000 0.440 232 A N -0.661 122.194 122.820 0.059 0.000 2.348 232 A HA 0.472 4.792 4.320 -0.000 0.000 0.224 232 A C 1.091 178.701 177.584 0.043 0.000 1.227 232 A CA 0.503 52.575 52.037 0.059 0.000 0.885 232 A CB -0.017 19.034 19.000 0.084 0.000 0.933 232 A HN 0.439 nan 8.150 nan 0.000 0.506 233 G N -1.833 106.985 108.800 0.031 0.000 2.756 233 G HA2 0.400 4.360 3.960 -0.000 0.000 0.678 233 G HA3 0.400 4.360 3.960 -0.000 0.000 0.678 233 G C -0.195 174.713 174.900 0.014 0.000 1.349 233 G CA -0.047 45.065 45.100 0.020 0.000 0.847 233 G HN 1.405 nan 8.290 nan 0.000 0.548 234 E N -1.257 118.947 120.200 0.007 0.000 2.442 234 E HA 0.521 4.871 4.350 -0.000 0.000 0.262 234 E C 0.463 177.070 176.600 0.012 0.000 1.004 234 E CA 0.566 56.966 56.400 -0.001 0.000 0.928 234 E CB 1.272 30.972 29.700 0.001 0.000 0.937 234 E HN 1.912 nan 8.360 nan 0.000 0.446 235 V N 2.496 122.413 119.914 0.005 0.000 2.962 235 V HA 0.285 4.404 4.120 -0.000 0.000 0.313 235 V C -0.091 176.028 176.094 0.041 0.000 1.099 235 V CA -1.004 61.320 62.300 0.040 0.000 0.971 235 V CB 2.238 34.105 31.823 0.073 0.000 1.028 235 V HN 0.984 nan 8.190 nan 0.000 0.430 236 D N 2.290 122.730 120.400 0.067 0.000 2.401 236 D HA 0.179 4.819 4.640 -0.000 0.000 0.254 236 D C 1.105 177.463 176.300 0.098 0.000 1.192 236 D CA 0.538 54.576 54.000 0.063 0.000 0.885 236 D CB 2.002 42.836 40.800 0.057 0.000 1.147 236 D HN 0.683 nan 8.370 nan 0.000 0.478 237 A N 4.178 127.041 122.820 0.072 0.000 1.927 237 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 237 A C 2.051 179.718 177.584 0.138 0.000 1.185 237 A CA 2.110 54.207 52.037 0.100 0.000 0.639 237 A CB -0.867 18.167 19.000 0.057 0.000 0.820 237 A HN 0.701 nan 8.150 nan 0.000 0.451 238 G N -0.764 108.087 108.800 0.086 0.000 2.402 238 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 238 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 238 G C 1.425 176.363 174.900 0.063 0.000 1.162 238 G CA 0.914 46.051 45.100 0.062 0.000 0.777 238 G HN 0.683 nan 8.290 nan 0.000 0.539 239 E N -0.503 119.745 120.200 0.079 0.000 2.150 239 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 239 E C 2.059 178.707 176.600 0.081 0.000 0.985 239 E CA 0.448 56.886 56.400 0.064 0.000 0.814 239 E CB -0.168 29.574 29.700 0.070 0.000 0.752 239 E HN 0.473 nan 8.360 nan 0.000 0.466 240 F N 2.206 122.162 119.950 0.010 0.000 2.146 240 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 240 F C 2.309 178.114 175.800 0.009 0.000 1.096 240 F CA 1.565 59.574 58.000 0.015 0.000 1.275 240 F CB 0.057 39.070 39.000 0.021 0.000 1.008 240 F HN -0.099 nan 8.300 nan 0.000 0.480 241 E N 0.053 120.307 120.200 0.091 0.000 2.118 241 E HA -0.291 4.058 4.350 -0.000 0.000 0.195 241 E C 2.204 178.755 176.600 -0.082 0.000 0.992 241 E CA 1.487 57.889 56.400 0.004 0.000 0.804 241 E CB -0.303 29.432 29.700 0.058 0.000 0.741 241 E HN 0.612 nan 8.360 nan 0.000 0.458 242 E N -0.541 119.616 120.200 -0.072 0.000 2.150 242 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 242 E C 1.814 178.360 176.600 -0.091 0.000 0.985 242 E CA 0.789 57.142 56.400 -0.079 0.000 0.814 242 E CB -0.028 29.633 29.700 -0.066 0.000 0.752 242 E HN 0.337 nan 8.360 nan 0.000 0.466 243 A N 0.893 123.609 122.820 -0.173 0.000 1.897 243 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 243 A C 2.072 179.492 177.584 -0.274 0.000 1.181 243 A CA 0.797 52.707 52.037 -0.212 0.000 0.620 243 A CB -0.536 18.302 19.000 -0.270 0.000 0.821 243 A HN 0.336 nan 8.150 nan 0.000 0.443 244 L N -0.640 120.310 121.223 -0.454 0.000 2.083 244 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 244 L C 2.397 179.107 176.870 -0.267 0.000 1.083 244 L CA 2.503 57.075 54.840 -0.447 0.000 0.752 244 L CB -0.701 41.062 42.059 -0.493 0.000 0.899 244 L HN 0.635 nan 8.230 nan 0.000 0.433 245 H N -1.185 117.733 119.070 -0.254 0.000 2.357 245 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 245 H C 1.825 177.052 175.328 -0.169 0.000 1.082 245 H CA 1.927 57.854 56.048 -0.202 0.000 1.342 245 H CB 0.103 29.766 29.762 -0.165 0.000 1.389 245 H HN 0.347 nan 8.280 nan 0.000 0.511 246 T N 0.835 115.397 114.554 0.013 0.000 2.746 246 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 246 T C 2.197 176.854 174.700 -0.072 0.000 1.039 246 T CA 1.323 63.415 62.100 -0.014 0.000 1.142 246 T CB -0.482 68.379 68.868 -0.012 0.000 0.866 246 T HN 0.496 nan 8.240 nan 0.000 0.444 247 A N 1.468 124.256 122.820 -0.053 0.000 1.855 247 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 247 A C 2.664 180.300 177.584 0.087 0.000 1.191 247 A CA 1.822 53.888 52.037 0.048 0.000 0.613 247 A CB -1.228 17.868 19.000 0.159 0.000 0.829 247 A HN 0.491 nan 8.150 nan 0.000 0.442 248 A N -0.629 122.198 122.820 0.011 0.000 1.908 248 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 248 A C 2.133 179.457 177.584 -0.433 0.000 1.181 248 A CA 1.858 53.852 52.037 -0.071 0.000 0.627 248 A CB -0.641 18.192 19.000 -0.279 0.000 0.818 248 A HN 0.697 nan 8.150 nan 0.000 0.445 249 L N -0.509 120.436 121.223 -0.463 0.000 2.141 249 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 249 L C 2.575 179.232 176.870 -0.355 0.000 1.094 249 L CA 1.914 56.456 54.840 -0.497 0.000 0.763 249 L CB -0.696 41.089 42.059 -0.458 0.000 0.908 249 L HN 0.336 nan 8.230 nan 0.000 0.437 250 A N -0.854 121.838 122.820 -0.213 0.000 1.968 250 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 250 A C 2.211 179.717 177.584 -0.129 0.000 1.169 250 A CA 1.534 53.486 52.037 -0.142 0.000 0.638 250 A CB -0.627 18.328 19.000 -0.074 0.000 0.812 250 A HN 0.469 nan 8.150 nan 0.000 0.446 251 L N -0.729 120.431 121.223 -0.104 0.000 2.109 251 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 251 L C 2.474 179.291 176.870 -0.089 0.000 1.086 251 L CA 0.727 55.552 54.840 -0.026 0.000 0.760 251 L CB -0.501 41.652 42.059 0.157 0.000 0.910 251 L HN 0.219 nan 8.230 nan 0.000 0.437 252 V N 0.120 119.842 119.914 -0.320 0.000 2.343 252 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 252 V C 2.471 178.394 176.094 -0.285 0.000 1.051 252 V CA 1.736 63.810 62.300 -0.376 0.000 1.036 252 V CB -0.489 30.945 31.823 -0.649 0.000 0.654 252 V HN 0.418 nan 8.190 nan 0.000 0.451 253 K N -0.438 119.763 120.400 -0.333 0.000 2.211 253 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 253 K C 1.825 178.363 176.600 -0.104 0.000 1.050 253 K CA 1.390 57.534 56.287 -0.240 0.000 0.945 253 K CB -0.256 32.107 32.500 -0.228 0.000 0.732 253 K HN 0.470 nan 8.250 nan 0.000 0.451 254 D N 1.156 121.508 120.400 -0.081 0.000 2.117 254 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 254 D C 1.880 178.176 176.300 -0.006 0.000 0.982 254 D CA 0.926 54.908 54.000 -0.030 0.000 0.828 254 D CB -0.146 40.645 40.800 -0.016 0.000 0.967 254 D HN 0.149 nan 8.370 nan 0.000 0.464 255 I N 1.078 121.648 120.570 0.000 0.000 2.179 255 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 255 I C 2.442 178.579 176.117 0.032 0.000 1.088 255 I CA 1.085 62.404 61.300 0.032 0.000 1.357 255 I CB -0.205 37.834 38.000 0.065 0.000 1.051 255 I HN -0.068 nan 8.210 nan 0.000 0.409 256 A N -0.053 122.778 122.820 0.017 0.000 1.902 256 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 256 A C 2.445 180.054 177.584 0.042 0.000 1.181 256 A CA 2.152 54.216 52.037 0.044 0.000 0.623 256 A CB -0.690 18.347 19.000 0.062 0.000 0.818 256 A HN 0.390 nan 8.150 nan 0.000 0.443 257 S N -0.652 115.063 115.700 0.025 0.000 2.423 257 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 257 S C 1.256 175.874 174.600 0.029 0.000 1.014 257 S CA 1.291 59.506 58.200 0.026 0.000 0.965 257 S CB -0.206 63.001 63.200 0.013 0.000 0.785 257 S HN 0.659 nan 8.310 nan 0.000 0.495 258 D N 1.134 121.552 120.400 0.030 0.000 2.388 258 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 258 D C 0.720 177.046 176.300 0.045 0.000 1.133 258 D CA -0.217 53.803 54.000 0.032 0.000 0.831 258 D CB -0.226 40.589 40.800 0.026 0.000 0.962 258 D HN 0.253 nan 8.370 nan 0.000 0.502 259 G N 0.760 109.593 108.800 0.056 0.000 2.391 259 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.234 259 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.234 259 G C 0.060 175.015 174.900 0.091 0.000 1.284 259 G CA -0.368 44.779 45.100 0.079 0.000 0.873 259 G HN 0.282 nan 8.290 nan 0.000 0.549 260 E N 1.013 121.284 120.200 0.117 0.000 2.757 260 E HA 0.174 4.524 4.350 -0.000 0.000 0.238 260 E C 1.382 178.057 176.600 0.126 0.000 1.057 260 E CA 0.993 57.445 56.400 0.087 0.000 0.952 260 E CB -0.037 29.668 29.700 0.009 0.000 0.934 260 E HN 1.003 nan 8.360 nan 0.000 0.518 261 G N 2.586 111.424 108.800 0.064 0.000 2.162 261 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 261 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 261 G C 0.445 175.375 174.900 0.049 0.000 0.976 261 G CA 0.037 45.171 45.100 0.056 0.000 0.655 261 G HN 0.796 nan 8.290 nan 0.000 0.533 262 A N -0.269 122.586 122.820 0.058 0.000 2.462 262 A HA 0.791 5.111 4.320 -0.000 0.000 0.243 262 A C 1.413 179.032 177.584 0.058 0.000 1.076 262 A CA 1.023 53.089 52.037 0.049 0.000 0.773 262 A CB 0.794 19.825 19.000 0.052 0.000 1.010 262 A HN 1.728 nan 8.150 nan 0.000 0.493 263 A N 1.995 124.864 122.820 0.081 0.000 2.108 263 A HA 0.349 4.669 4.320 -0.000 0.000 0.206 263 A C 0.737 178.357 177.584 0.059 0.000 1.212 263 A CA 1.005 53.096 52.037 0.090 0.000 0.843 263 A CB 0.111 19.208 19.000 0.162 0.000 0.902 263 A HN 0.857 nan 8.150 nan 0.000 0.477 264 K N -0.703 119.733 120.400 0.059 0.000 2.532 264 K HA 0.676 4.996 4.320 -0.000 0.000 0.265 264 K C -1.305 175.319 176.600 0.039 0.000 0.948 264 K CA -0.721 55.586 56.287 0.033 0.000 0.842 264 K CB 1.595 34.102 32.500 0.010 0.000 1.392 264 K HN 0.123 nan 8.250 nan 0.000 0.436 265 L N 2.793 124.039 121.223 0.038 0.000 2.350 265 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 265 L C -1.063 175.850 176.870 0.071 0.000 1.099 265 L CA -0.751 54.127 54.840 0.062 0.000 0.808 265 L CB 0.676 42.777 42.059 0.070 0.000 1.149 265 L HN 0.624 nan 8.230 nan 0.000 0.442 266 I N 4.388 125.013 120.570 0.092 0.000 2.406 266 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 266 I C -0.621 175.548 176.117 0.088 0.000 0.999 266 I CA -0.460 60.891 61.300 0.086 0.000 1.124 266 I CB 1.896 39.937 38.000 0.069 0.000 1.289 266 I HN 0.641 nan 8.210 nan 0.000 0.441 267 E N 6.153 126.388 120.200 0.058 0.000 2.191 267 E HA 0.508 4.858 4.350 -0.000 0.000 0.263 267 E C -1.723 174.826 176.600 -0.085 0.000 0.881 267 E CA -0.612 55.740 56.400 -0.081 0.000 0.757 267 E CB 2.091 31.783 29.700 -0.013 0.000 1.147 267 E HN 0.356 nan 8.360 nan 0.000 0.414 268 V N 5.118 124.935 119.914 -0.161 0.000 2.357 268 V HA 0.239 4.359 4.120 -0.000 0.000 0.284 268 V C -0.438 175.593 176.094 -0.105 0.000 1.018 268 V CA -0.683 61.566 62.300 -0.086 0.000 0.841 268 V CB 1.304 33.099 31.823 -0.047 0.000 0.991 268 V HN 0.694 nan 8.190 nan 0.000 0.437 269 Q N 3.869 123.626 119.800 -0.072 0.000 2.431 269 Q HA 0.517 4.857 4.340 -0.000 0.000 0.249 269 Q C -0.905 175.077 176.000 -0.030 0.000 1.025 269 Q CA -0.437 55.330 55.803 -0.059 0.000 0.835 269 Q CB 2.194 30.898 28.738 -0.057 0.000 1.207 269 Q HN 0.599 nan 8.270 nan 0.000 0.490 270 V N 2.740 122.653 119.914 -0.001 0.000 2.439 270 V HA 0.506 4.626 4.120 -0.000 0.000 0.282 270 V C 0.343 176.447 176.094 0.016 0.000 1.039 270 V CA -0.307 61.998 62.300 0.008 0.000 0.913 270 V CB 1.401 33.238 31.823 0.024 0.000 0.983 270 V HN 0.877 nan 8.190 nan 0.000 0.460 271 T N 0.150 114.704 114.554 0.000 0.000 2.896 271 T HA 0.687 5.037 4.350 -0.000 0.000 0.297 271 T C 0.635 175.334 174.700 -0.003 0.000 1.108 271 T CA -0.008 62.092 62.100 0.000 0.000 1.004 271 T CB 1.796 70.657 68.868 -0.013 0.000 1.159 271 T HN 1.715 nan 8.240 nan 0.000 0.499 272 G N 0.074 108.874 108.800 -0.001 0.000 2.148 272 G HA2 0.092 4.052 3.960 -0.000 0.000 0.254 272 G HA3 0.092 4.052 3.960 -0.000 0.000 0.254 272 G C 0.479 175.379 174.900 -0.001 0.000 0.981 272 G CA 0.155 45.252 45.100 -0.004 0.000 0.670 272 G HN 1.541 nan 8.290 nan 0.000 0.528 273 A N 0.027 122.850 122.820 0.005 0.000 2.366 273 A HA 0.665 4.985 4.320 -0.000 0.000 0.250 273 A C 1.607 179.193 177.584 0.003 0.000 1.099 273 A CA 0.911 52.950 52.037 0.004 0.000 0.794 273 A CB 0.122 19.128 19.000 0.009 0.000 1.056 273 A HN 1.228 nan 8.150 nan 0.000 0.499 274 R N -0.184 120.316 120.500 0.000 0.000 2.235 274 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 274 R C -0.293 176.009 176.300 0.003 0.000 1.059 274 R CA 1.401 57.501 56.100 -0.000 0.000 0.997 274 R CB -0.300 29.999 30.300 -0.003 0.000 0.884 274 R HN 0.820 nan 8.270 nan 0.000 0.462 275 D N -1.786 118.618 120.400 0.006 0.000 2.764 275 D HA 0.002 4.642 4.640 -0.000 0.000 0.293 275 D C -0.813 175.502 176.300 0.024 0.000 1.287 275 D CA -0.614 53.395 54.000 0.014 0.000 0.768 275 D CB 0.207 41.011 40.800 0.007 0.000 1.288 275 D HN -0.234 nan 8.370 nan 0.000 0.426 276 D N 0.246 120.673 120.400 0.045 0.000 2.117 276 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 276 D C 2.032 178.337 176.300 0.008 0.000 0.987 276 D CA 2.404 56.457 54.000 0.088 0.000 0.829 276 D CB -0.516 40.373 40.800 0.148 0.000 0.961 276 D HN 0.533 nan 8.370 nan 0.000 0.460 277 A N 0.598 123.401 122.820 -0.030 0.000 1.908 277 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 277 A C 2.116 179.638 177.584 -0.105 0.000 1.181 277 A CA 1.906 53.888 52.037 -0.092 0.000 0.627 277 A CB -0.691 18.275 19.000 -0.057 0.000 0.818 277 A HN 0.287 nan 8.150 nan 0.000 0.445 278 Q N -0.867 118.899 119.800 -0.057 0.000 2.172 278 Q HA -0.011 4.328 4.340 -0.000 0.000 0.200 278 Q C 2.163 178.132 176.000 -0.051 0.000 0.964 278 Q CA 1.095 56.868 55.803 -0.050 0.000 0.855 278 Q CB -0.277 28.445 28.738 -0.026 0.000 0.918 278 Q HN 0.608 nan 8.270 nan 0.000 0.444 279 A N 1.427 124.229 122.820 -0.028 0.000 1.902 279 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 279 A C 2.031 179.589 177.584 -0.042 0.000 1.181 279 A CA 1.672 53.713 52.037 0.006 0.000 0.623 279 A CB -0.498 18.556 19.000 0.090 0.000 0.818 279 A HN 0.353 nan 8.150 nan 0.000 0.443 280 K N -0.455 119.824 120.400 -0.201 0.000 2.057 280 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 280 K C 2.360 178.820 176.600 -0.233 0.000 1.049 280 K CA 1.430 57.456 56.287 -0.435 0.000 0.931 280 K CB -0.216 31.703 32.500 -0.968 0.000 0.714 280 K HN 0.444 nan 8.250 nan 0.000 0.440 281 R N 0.397 120.792 120.500 -0.175 0.000 2.083 281 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 281 R C 2.065 178.322 176.300 -0.073 0.000 1.137 281 R CA 1.786 57.820 56.100 -0.110 0.000 0.951 281 R CB -0.295 29.954 30.300 -0.085 0.000 0.851 281 R HN 0.082 nan 8.270 nan 0.000 0.434 282 V N 0.406 120.286 119.914 -0.058 0.000 2.343 282 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 282 V C 2.425 178.500 176.094 -0.032 0.000 1.051 282 V CA 2.043 64.321 62.300 -0.037 0.000 1.036 282 V CB -0.931 30.876 31.823 -0.026 0.000 0.654 282 V HN 0.691 nan 8.190 nan 0.000 0.451 283 G N -0.192 108.588 108.800 -0.032 0.000 2.459 283 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 283 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 283 G C 1.660 176.547 174.900 -0.023 0.000 1.183 283 G CA 0.669 45.759 45.100 -0.017 0.000 0.776 283 G HN 0.339 nan 8.290 nan 0.000 0.552 284 K N 0.303 120.678 120.400 -0.041 0.000 2.097 284 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 284 K C 2.711 179.295 176.600 -0.026 0.000 1.049 284 K CA 1.415 57.682 56.287 -0.033 0.000 0.933 284 K CB -1.013 31.454 32.500 -0.054 0.000 0.717 284 K HN 0.285 nan 8.250 nan 0.000 0.442 285 T N 1.355 115.891 114.554 -0.030 0.000 2.746 285 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 285 T C 2.077 176.767 174.700 -0.016 0.000 1.039 285 T CA 1.261 63.346 62.100 -0.024 0.000 1.142 285 T CB -0.149 68.703 68.868 -0.026 0.000 0.866 285 T HN -0.081 nan 8.240 nan 0.000 0.444 286 V N 0.730 120.636 119.914 -0.013 0.000 2.307 286 V HA -0.072 4.047 4.120 -0.000 0.000 0.245 286 V C 2.529 178.626 176.094 0.006 0.000 1.045 286 V CA 1.142 63.441 62.300 -0.001 0.000 1.024 286 V CB -0.595 31.229 31.823 0.002 0.000 0.651 286 V HN 0.298 nan 8.190 nan 0.000 0.449 287 V N 0.639 120.555 119.914 0.003 0.000 2.970 287 V HA -0.098 4.022 4.120 -0.000 0.000 0.260 287 V C 1.800 177.892 176.094 -0.003 0.000 1.100 287 V CA 1.653 63.958 62.300 0.008 0.000 1.122 287 V CB -0.524 31.305 31.823 0.010 0.000 0.721 287 V HN 0.599 nan 8.190 nan 0.000 0.483 288 N N -0.325 118.368 118.700 -0.012 0.000 2.236 288 N HA 0.078 4.818 4.740 -0.000 0.000 0.196 288 N C 0.756 176.246 175.510 -0.033 0.000 1.114 288 N CA 0.344 53.379 53.050 -0.026 0.000 0.859 288 N CB 0.470 38.943 38.487 -0.023 0.000 0.982 288 N HN 0.359 nan 8.380 nan 0.000 0.493 289 S N 2.201 117.888 115.700 -0.022 0.000 2.443 289 S HA 0.171 4.641 4.470 -0.000 0.000 0.284 289 S C -1.474 173.108 174.600 -0.030 0.000 1.206 289 S CA -1.291 56.895 58.200 -0.022 0.000 1.074 289 S CB 1.002 64.196 63.200 -0.011 0.000 0.963 289 S HN -0.033 nan 8.310 nan 0.000 0.501 290 P HA -0.132 nan 4.420 nan 0.000 0.216 290 P C 1.293 178.571 177.300 -0.036 0.000 1.150 290 P CA 1.151 64.219 63.100 -0.053 0.000 0.843 290 P CB 0.090 31.757 31.700 -0.055 0.000 0.787 291 L N -1.694 119.513 121.223 -0.025 0.000 2.201 291 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 291 L C 2.217 179.083 176.870 -0.005 0.000 1.105 291 L CA 1.048 55.877 54.840 -0.018 0.000 0.775 291 L CB -0.619 41.427 42.059 -0.022 0.000 0.913 291 L HN -0.095 nan 8.230 nan 0.000 0.440 292 V N -0.348 119.568 119.914 0.004 0.000 2.407 292 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 292 V C 2.357 178.467 176.094 0.028 0.000 1.041 292 V CA 1.438 63.756 62.300 0.030 0.000 1.040 292 V CB -0.367 31.483 31.823 0.045 0.000 0.671 292 V HN 0.378 nan 8.190 nan 0.000 0.455 293 K N 0.723 121.126 120.400 0.005 0.000 2.063 293 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 293 K C 2.223 178.831 176.600 0.012 0.000 1.048 293 K CA 2.088 58.373 56.287 -0.003 0.000 0.928 293 K CB -0.546 31.925 32.500 -0.047 0.000 0.713 293 K HN 0.710 nan 8.250 nan 0.000 0.442 294 T N -0.637 113.920 114.554 0.006 0.000 2.857 294 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 294 T C 2.156 176.896 174.700 0.066 0.000 1.048 294 T CA 0.883 63.007 62.100 0.040 0.000 1.139 294 T CB -0.326 68.551 68.868 0.015 0.000 0.874 294 T HN 0.178 nan 8.240 nan 0.000 0.455 295 A N 1.541 124.375 122.820 0.025 0.000 1.865 295 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 295 A C 2.634 180.211 177.584 -0.012 0.000 1.191 295 A CA 1.814 53.850 52.037 -0.002 0.000 0.623 295 A CB -1.310 17.686 19.000 -0.008 0.000 0.826 295 A HN 0.388 nan 8.150 nan 0.000 0.444 296 V N -0.218 119.700 119.914 0.006 0.000 2.568 296 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 296 V C 2.453 178.557 176.094 0.016 0.000 1.072 296 V CA 2.514 64.806 62.300 -0.013 0.000 1.084 296 V CB -1.075 30.759 31.823 0.019 0.000 0.676 296 V HN 0.857 nan 8.190 nan 0.000 0.469 297 H N 0.996 120.040 119.070 -0.043 0.000 2.389 297 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 297 H C 2.032 177.336 175.328 -0.041 0.000 1.081 297 H CA 1.611 57.638 56.048 -0.035 0.000 1.345 297 H CB -0.345 29.403 29.762 -0.025 0.000 1.393 297 H HN 0.373 nan 8.280 nan 0.000 0.520 298 G N -1.405 107.323 108.800 -0.120 0.000 3.262 298 G HA2 0.054 4.014 3.960 -0.000 0.000 0.228 298 G HA3 0.054 4.014 3.960 -0.000 0.000 0.228 298 G C 0.300 175.114 174.900 -0.143 0.000 1.197 298 G CA 0.293 45.287 45.100 -0.176 0.000 0.819 298 G HN 0.603 nan 8.290 nan 0.000 0.531 299 C N 0.358 119.575 119.300 -0.138 0.000 4.365 299 C HA -0.140 4.319 4.460 -0.000 0.000 0.299 299 C C 0.226 175.134 174.990 -0.138 0.000 1.409 299 C CA 0.010 58.948 59.018 -0.133 0.000 2.007 299 C CB -2.530 25.138 27.740 -0.119 0.000 1.264 299 C HN 0.659 nan 8.230 nan 0.000 0.777 300 D N 1.178 121.491 120.400 -0.145 0.000 2.381 300 D HA 0.410 5.050 4.640 -0.000 0.000 0.235 300 D C -1.540 174.615 176.300 -0.242 0.000 1.068 300 D CA -2.012 51.899 54.000 -0.149 0.000 0.832 300 D CB 1.334 42.073 40.800 -0.102 0.000 1.101 300 D HN 0.245 nan 8.370 nan 0.000 0.515 301 P HA 0.079 nan 4.420 nan 0.000 0.225 301 P C -0.304 176.936 177.300 -0.101 0.000 1.768 301 P CA -0.418 62.308 63.100 -0.624 0.000 0.943 301 P CB -0.253 31.182 31.700 -0.443 0.000 1.936 302 N N 2.263 120.938 118.700 -0.043 0.000 2.605 302 N HA -0.041 4.699 4.740 -0.000 0.000 0.282 302 N C 1.334 176.966 175.510 0.203 0.000 1.206 302 N CA -0.297 52.756 53.050 0.006 0.000 1.074 302 N CB -0.051 38.404 38.487 -0.053 0.000 1.434 302 N HN 0.451 nan 8.380 nan 0.000 0.506 303 W N 2.194 123.696 121.300 0.337 0.000 2.525 303 W HA 0.054 4.714 4.660 -0.000 0.000 0.259 303 W C 1.106 177.639 176.519 0.022 0.000 1.253 303 W CA 0.324 57.782 57.345 0.187 0.000 1.262 303 W CB -0.886 28.643 29.460 0.116 0.000 1.122 303 W HN 0.267 nan 8.180 nan 0.000 0.607 304 G N 1.946 110.433 108.800 -0.521 0.000 2.421 304 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 304 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 304 G C 1.835 176.638 174.900 -0.162 0.000 1.171 304 G CA 1.023 45.800 45.100 -0.539 0.000 0.775 304 G HN 0.234 nan 8.290 nan 0.000 0.543 305 R N -0.300 120.141 120.500 -0.099 0.000 2.115 305 R HA 0.039 4.379 4.340 -0.000 0.000 0.230 305 R C 2.629 178.937 176.300 0.013 0.000 1.111 305 R CA 0.810 56.889 56.100 -0.035 0.000 0.976 305 R CB -0.369 29.919 30.300 -0.019 0.000 0.870 305 R HN 0.297 nan 8.270 nan 0.000 0.445 306 V N 1.070 121.025 119.914 0.067 0.000 2.343 306 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 306 V C 2.459 178.560 176.094 0.012 0.000 1.051 306 V CA 1.975 64.311 62.300 0.059 0.000 1.036 306 V CB -0.677 31.195 31.823 0.080 0.000 0.654 306 V HN 0.386 nan 8.190 nan 0.000 0.451 307 A N -0.027 122.803 122.820 0.018 0.000 1.883 307 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 307 A C 2.283 179.845 177.584 -0.036 0.000 1.186 307 A CA 2.338 54.348 52.037 -0.045 0.000 0.624 307 A CB -0.619 18.358 19.000 -0.038 0.000 0.822 307 A HN 0.438 nan 8.150 nan 0.000 0.444 308 M N 0.323 119.907 119.600 -0.027 0.000 2.080 308 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 308 M C 2.208 178.496 176.300 -0.021 0.000 1.068 308 M CA 2.357 57.641 55.300 -0.026 0.000 1.109 308 M CB -1.135 31.445 32.600 -0.033 0.000 1.342 308 M HN 0.411 nan 8.290 nan 0.000 0.405 309 A N 0.812 123.622 122.820 -0.016 0.000 1.877 309 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 309 A C 2.178 179.751 177.584 -0.018 0.000 1.186 309 A CA 1.907 53.935 52.037 -0.014 0.000 0.620 309 A CB -1.011 17.986 19.000 -0.005 0.000 0.822 309 A HN 0.623 nan 8.150 nan 0.000 0.443 310 I N -0.176 120.381 120.570 -0.022 0.000 2.208 310 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 310 I C 2.631 178.735 176.117 -0.021 0.000 1.097 310 I CA 1.194 62.479 61.300 -0.024 0.000 1.363 310 I CB -0.667 37.314 38.000 -0.033 0.000 1.051 310 I HN 0.409 nan 8.210 nan 0.000 0.413 311 G N 0.789 109.576 108.800 -0.021 0.000 2.470 311 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 311 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 311 G C 1.634 176.526 174.900 -0.013 0.000 1.121 311 G CA 0.362 45.453 45.100 -0.015 0.000 0.766 311 G HN 0.370 nan 8.290 nan 0.000 0.553 312 K N -0.416 119.975 120.400 -0.016 0.000 2.362 312 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 312 K C 0.748 177.339 176.600 -0.015 0.000 1.046 312 K CA 0.282 56.560 56.287 -0.015 0.000 0.952 312 K CB -0.125 32.365 32.500 -0.016 0.000 0.753 312 K HN 0.245 nan 8.250 nan 0.000 0.466 313 C N 2.744 122.035 119.300 -0.016 0.000 3.305 313 C HA 0.071 4.531 4.460 -0.000 0.000 0.566 313 C C 1.911 176.893 174.990 -0.013 0.000 1.178 313 C CA -0.429 58.579 59.018 -0.017 0.000 1.317 313 C CB -2.092 25.636 27.740 -0.020 0.000 1.634 313 C HN 0.418 nan 8.230 nan 0.000 0.643 314 S N -0.355 115.339 115.700 -0.011 0.000 2.500 314 S HA -0.153 4.317 4.470 -0.000 0.000 0.239 314 S C 1.032 175.627 174.600 -0.007 0.000 0.989 314 S CA 1.351 59.547 58.200 -0.008 0.000 0.951 314 S CB -0.175 63.021 63.200 -0.007 0.000 0.759 314 S HN 0.653 nan 8.310 nan 0.000 0.523 315 D N 1.755 122.150 120.400 -0.009 0.000 2.348 315 D HA 0.104 4.744 4.640 -0.000 0.000 0.211 315 D C -0.505 175.790 176.300 -0.009 0.000 0.998 315 D CA 0.455 54.450 54.000 -0.009 0.000 0.873 315 D CB -0.197 40.597 40.800 -0.010 0.000 0.925 315 D HN 0.535 nan 8.370 nan 0.000 0.524 316 D N -0.037 120.357 120.400 -0.010 0.000 2.631 316 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 316 D C 1.276 177.572 176.300 -0.006 0.000 1.146 316 D CA 0.049 54.043 54.000 -0.010 0.000 1.009 316 D CB 0.474 41.266 40.800 -0.013 0.000 1.057 316 D HN -0.017 nan 8.370 nan 0.000 0.509 317 T N -2.138 112.413 114.554 -0.005 0.000 3.077 317 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 317 T C 1.181 175.880 174.700 -0.001 0.000 1.146 317 T CA 0.537 62.636 62.100 -0.002 0.000 1.091 317 T CB -0.031 68.837 68.868 -0.002 0.000 0.892 317 T HN 0.233 nan 8.240 nan 0.000 0.533 318 D N 0.593 120.991 120.400 -0.002 0.000 2.340 318 D HA 0.086 4.726 4.640 -0.000 0.000 0.220 318 D C 0.534 176.834 176.300 0.000 0.000 1.039 318 D CA -0.357 53.642 54.000 -0.001 0.000 0.866 318 D CB -0.448 40.351 40.800 -0.003 0.000 0.913 318 D HN 0.482 nan 8.370 nan 0.000 0.523 319 I N 1.734 122.305 120.570 0.001 0.000 2.308 319 I HA 0.048 4.218 4.170 -0.000 0.000 0.293 319 I C 0.072 176.195 176.117 0.010 0.000 1.078 319 I CA -0.323 60.979 61.300 0.003 0.000 1.292 319 I CB 0.521 38.521 38.000 -0.000 0.000 1.423 319 I HN -0.209 nan 8.210 nan 0.000 0.493 320 D N 6.408 126.817 120.400 0.014 0.000 2.359 320 D HA 0.023 4.663 4.640 -0.000 0.000 0.230 320 D C 0.955 177.280 176.300 0.041 0.000 1.118 320 D CA -0.189 53.824 54.000 0.021 0.000 0.844 320 D CB 1.322 42.131 40.800 0.015 0.000 1.059 320 D HN 0.552 nan 8.370 nan 0.000 0.493 321 Q N 3.155 122.985 119.800 0.049 0.000 2.268 321 Q HA -0.219 4.121 4.340 -0.000 0.000 0.210 321 Q C 0.621 176.706 176.000 0.142 0.000 0.988 321 Q CA 1.569 57.423 55.803 0.085 0.000 0.883 321 Q CB 0.355 29.136 28.738 0.071 0.000 0.911 321 Q HN 0.563 nan 8.270 nan 0.000 0.430 322 E N -0.267 119.981 120.200 0.081 0.000 2.250 322 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 322 E C 1.742 178.347 176.600 0.008 0.000 0.986 322 E CA 0.443 56.870 56.400 0.045 0.000 0.849 322 E CB 0.145 29.854 29.700 0.015 0.000 0.797 322 E HN 0.430 nan 8.360 nan 0.000 0.482 323 R N 0.822 121.333 120.500 0.019 0.000 2.300 323 R HA 0.130 4.470 4.340 -0.000 0.000 0.199 323 R C 0.573 176.880 176.300 0.011 0.000 0.920 323 R CA -0.067 56.031 56.100 -0.004 0.000 1.046 323 R CB 0.445 30.743 30.300 -0.004 0.000 0.984 323 R HN -0.111 nan 8.270 nan 0.000 0.493 324 V N 2.324 122.282 119.914 0.074 0.000 2.637 324 V HA 0.071 4.191 4.120 -0.000 0.000 0.296 324 V C 0.570 176.752 176.094 0.146 0.000 1.046 324 V CA 0.048 62.414 62.300 0.110 0.000 1.066 324 V CB 1.205 33.109 31.823 0.135 0.000 0.968 324 V HN 0.308 nan 8.190 nan 0.000 0.483 325 T N 3.421 118.015 114.554 0.066 0.000 2.863 325 T HA 0.824 5.174 4.350 -0.000 0.000 0.285 325 T C -0.837 173.873 174.700 0.017 0.000 1.009 325 T CA -0.637 61.475 62.100 0.021 0.000 0.989 325 T CB 1.658 70.486 68.868 -0.067 0.000 1.004 325 T HN 0.333 nan 8.240 nan 0.000 0.455 326 I N 2.243 122.809 120.570 -0.006 0.000 2.647 326 I HA 0.657 4.827 4.170 -0.000 0.000 0.295 326 I C -0.233 175.761 176.117 -0.205 0.000 1.078 326 I CA -1.222 60.005 61.300 -0.121 0.000 1.048 326 I CB 2.384 40.301 38.000 -0.138 0.000 1.239 326 I HN 0.830 nan 8.210 nan 0.000 0.421 327 R N 3.860 124.195 120.500 -0.275 0.000 2.698 327 R HA 0.667 5.007 4.340 -0.000 0.000 0.275 327 R C -2.105 174.002 176.300 -0.322 0.000 1.001 327 R CA -0.694 55.262 56.100 -0.239 0.000 0.896 327 R CB 1.660 31.887 30.300 -0.122 0.000 1.218 327 R HN 0.235 nan 8.270 nan 0.000 0.462 328 F N 1.882 121.848 119.950 0.026 0.000 2.402 328 F HA 0.581 5.108 4.527 -0.000 0.000 0.355 328 F C 1.180 176.893 175.800 -0.145 0.000 1.123 328 F CA 0.613 58.645 58.000 0.052 0.000 1.021 328 F CB 1.594 40.680 39.000 0.143 0.000 1.160 328 F HN 1.056 nan 8.300 nan 0.000 0.451 329 G N 3.402 112.117 108.800 -0.142 0.000 2.536 329 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 329 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 329 G C 0.839 175.613 174.900 -0.209 0.000 1.152 329 G CA 0.162 44.914 45.100 -0.580 0.000 0.970 329 G HN 0.450 nan 8.290 nan 0.000 0.549 330 E N -0.011 120.084 120.200 -0.175 0.000 2.472 330 E HA 0.275 4.625 4.350 -0.000 0.000 0.196 330 E C 0.804 177.367 176.600 -0.060 0.000 1.033 330 E CA 0.396 56.743 56.400 -0.090 0.000 0.886 330 E CB 0.784 30.442 29.700 -0.069 0.000 0.944 330 E HN 0.363 nan 8.360 nan 0.000 0.492 331 V N 2.237 122.124 119.914 -0.046 0.000 2.432 331 V HA 0.115 4.235 4.120 -0.000 0.000 0.275 331 V C 0.378 176.464 176.094 -0.013 0.000 1.043 331 V CA -0.582 61.711 62.300 -0.012 0.000 0.925 331 V CB 1.490 33.328 31.823 0.025 0.000 0.985 331 V HN 0.048 nan 8.190 nan 0.000 0.466 332 E N 3.342 123.517 120.200 -0.041 0.000 2.316 332 E HA 0.273 4.623 4.350 -0.000 0.000 0.275 332 E C 0.489 177.048 176.600 -0.069 0.000 1.029 332 E CA -0.287 56.067 56.400 -0.076 0.000 0.871 332 E CB 1.504 31.145 29.700 -0.097 0.000 1.022 332 E HN 0.631 nan 8.360 nan 0.000 0.418 333 V N 2.521 122.375 119.914 -0.100 0.000 3.604 333 V HA 0.311 4.431 4.120 -0.000 0.000 0.277 333 V C -0.350 175.508 176.094 -0.394 0.000 1.399 333 V CA -0.236 62.000 62.300 -0.107 0.000 1.034 333 V CB -0.243 31.659 31.823 0.131 0.000 0.824 333 V HN 0.618 nan 8.190 nan 0.000 0.439 334 Y N 1.385 121.365 120.300 -0.533 0.000 2.396 334 Y HA 0.786 5.336 4.550 -0.000 0.000 0.332 334 Y C -3.195 172.477 175.900 -0.381 0.000 1.034 334 Y CA -2.692 54.999 58.100 -0.682 0.000 1.057 334 Y CB 2.615 40.556 38.460 -0.865 0.000 1.220 334 Y HN -0.016 nan 8.280 nan 0.000 0.440 335 P HA 0.182 nan 4.420 nan 0.000 0.269 335 P C -2.431 174.522 177.300 -0.577 0.000 1.209 335 P CA -0.579 61.828 63.100 -1.155 0.000 0.776 335 P CB 0.311 31.534 31.700 -0.795 0.000 0.876 345 D N 0.395 120.806 120.400 0.019 0.000 2.117 345 D HA 0.328 4.968 4.640 -0.000 0.000 0.198 345 D C 2.366 178.678 176.300 0.021 0.000 0.982 345 D CA 3.295 57.308 54.000 0.021 0.000 0.828 345 D CB -0.724 40.085 40.800 0.016 0.000 0.967 345 D HN 1.185 nan 8.370 nan 0.000 0.464 346 A N -0.391 122.439 122.820 0.017 0.000 2.067 346 A HA 0.199 4.519 4.320 -0.000 0.000 0.219 346 A C 2.323 179.920 177.584 0.021 0.000 1.158 346 A CA 1.057 53.105 52.037 0.017 0.000 0.661 346 A CB -0.299 18.708 19.000 0.012 0.000 0.801 346 A HN 0.519 nan 8.150 nan 0.000 0.452 347 L N -1.494 119.743 121.223 0.023 0.000 2.127 347 L HA -0.072 4.268 4.340 -0.000 0.000 0.203 347 L C 3.286 180.184 176.870 0.046 0.000 1.080 347 L CA 0.913 55.770 54.840 0.028 0.000 0.768 347 L CB -0.629 41.444 42.059 0.022 0.000 0.924 347 L HN 0.470 nan 8.230 nan 0.000 0.444 348 R N 0.675 121.205 120.500 0.049 0.000 2.096 348 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 348 R C 2.253 178.585 176.300 0.054 0.000 1.127 348 R CA 1.595 57.733 56.100 0.063 0.000 0.968 348 R CB -1.539 28.796 30.300 0.058 0.000 0.861 348 R HN 0.483 nan 8.270 nan 0.000 0.440 349 A N 0.721 123.566 122.820 0.041 0.000 1.898 349 A HA 0.283 4.603 4.320 -0.000 0.000 0.216 349 A C 2.842 180.451 177.584 0.042 0.000 1.181 349 A CA 1.777 53.835 52.037 0.034 0.000 0.620 349 A CB -0.872 18.144 19.000 0.025 0.000 0.819 349 A HN 0.943 nan 8.150 nan 0.000 0.442 350 A N -0.420 122.426 122.820 0.044 0.000 1.883 350 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 350 A C 2.245 179.878 177.584 0.081 0.000 1.186 350 A CA 2.023 54.090 52.037 0.051 0.000 0.624 350 A CB -1.030 17.990 19.000 0.033 0.000 0.822 350 A HN 0.416 nan 8.150 nan 0.000 0.444 351 V N -0.276 119.692 119.914 0.089 0.000 2.295 351 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 351 V C 3.058 179.206 176.094 0.090 0.000 1.049 351 V CA 1.945 64.322 62.300 0.128 0.000 1.024 351 V CB -1.266 30.650 31.823 0.155 0.000 0.648 351 V HN 0.629 nan 8.190 nan 0.000 0.447 352 A N -0.035 122.815 122.820 0.050 0.000 1.933 352 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 352 A C 2.301 179.892 177.584 0.012 0.000 1.175 352 A CA 2.270 54.313 52.037 0.010 0.000 0.628 352 A CB -0.700 18.305 19.000 0.009 0.000 0.814 352 A HN 0.636 nan 8.150 nan 0.000 0.444 353 E N -0.921 119.305 120.200 0.043 0.000 2.152 353 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 353 E C 1.842 178.480 176.600 0.063 0.000 0.983 353 E CA 1.564 57.988 56.400 0.041 0.000 0.818 353 E CB -0.953 28.776 29.700 0.049 0.000 0.758 353 E HN 0.907 nan 8.360 nan 0.000 0.467 354 H N -0.186 118.882 119.070 -0.004 0.000 2.353 354 H HA 0.076 4.631 4.556 -0.000 0.000 0.300 354 H C 1.840 177.155 175.328 -0.021 0.000 1.090 354 H CA 1.539 57.591 56.048 0.006 0.000 1.327 354 H CB -0.199 29.585 29.762 0.037 0.000 1.383 354 H HN 0.310 nan 8.280 nan 0.000 0.508 355 L N 0.126 121.291 121.223 -0.098 0.000 2.551 355 L HA 0.019 4.359 4.340 -0.000 0.000 0.228 355 L C 2.084 178.866 176.870 -0.147 0.000 1.153 355 L CA 0.884 55.611 54.840 -0.187 0.000 0.851 355 L CB -0.107 41.831 42.059 -0.203 0.000 0.959 355 L HN 0.214 nan 8.230 nan 0.000 0.451 356 R N -0.885 119.551 120.500 -0.106 0.000 2.280 356 R HA 0.164 4.504 4.340 -0.000 0.000 0.195 356 R C 1.268 177.520 176.300 -0.081 0.000 0.935 356 R CA 0.334 56.385 56.100 -0.082 0.000 1.033 356 R CB 0.008 30.277 30.300 -0.052 0.000 0.964 356 R HN 0.344 nan 8.270 nan 0.000 0.489 357 G N 1.328 110.063 108.800 -0.109 0.000 2.653 357 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.265 357 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.265 357 G C -0.060 174.785 174.900 -0.092 0.000 1.237 357 G CA -0.231 44.813 45.100 -0.094 0.000 0.946 357 G HN 0.219 nan 8.290 nan 0.000 0.522 358 D N -2.206 118.159 120.400 -0.058 0.000 2.368 358 D HA 0.107 4.747 4.640 -0.000 0.000 0.218 358 D C 0.240 176.524 176.300 -0.026 0.000 1.112 358 D CA 0.031 54.011 54.000 -0.033 0.000 0.834 358 D CB 0.509 41.303 40.800 -0.009 0.000 0.953 358 D HN 0.406 nan 8.370 nan 0.000 0.505 359 E N 0.567 120.733 120.200 -0.055 0.000 2.621 359 E HA 0.262 4.612 4.350 -0.000 0.000 0.263 359 E C -1.268 175.282 176.600 -0.083 0.000 1.033 359 E CA -0.555 55.834 56.400 -0.018 0.000 0.778 359 E CB 2.217 31.936 29.700 0.031 0.000 1.426 359 E HN -0.054 nan 8.360 nan 0.000 0.394 360 V N 3.000 122.868 119.914 -0.077 0.000 2.432 360 V HA 0.248 4.368 4.120 -0.000 0.000 0.275 360 V C 0.155 176.362 176.094 0.189 0.000 1.043 360 V CA -0.611 61.638 62.300 -0.085 0.000 0.925 360 V CB 1.509 33.295 31.823 -0.062 0.000 0.985 360 V HN 0.323 nan 8.190 nan 0.000 0.466 361 V N 6.717 126.917 119.914 0.477 0.000 2.370 361 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 361 V C -0.098 176.167 176.094 0.284 0.000 1.023 361 V CA -0.379 62.104 62.300 0.304 0.000 0.857 361 V CB 1.601 33.559 31.823 0.226 0.000 0.985 361 V HN 0.661 nan 8.190 nan 0.000 0.443 362 I N 4.384 125.048 120.570 0.155 0.000 2.354 362 I HA 0.519 4.689 4.170 -0.000 0.000 0.286 362 I C 0.810 176.904 176.117 -0.038 0.000 1.007 362 I CA -0.197 61.137 61.300 0.057 0.000 1.167 362 I CB 1.578 39.622 38.000 0.073 0.000 1.320 362 I HN 0.715 nan 8.210 nan 0.000 0.458 363 G N 7.414 116.159 108.800 -0.091 0.000 2.332 363 G HA2 0.752 4.711 3.960 -0.000 0.000 0.310 363 G HA3 0.752 4.711 3.960 -0.000 0.000 0.310 363 G C -0.702 174.137 174.900 -0.101 0.000 1.123 363 G CA -0.352 44.700 45.100 -0.081 0.000 0.873 363 G HN 0.513 nan 8.290 nan 0.000 0.460 364 I N 1.714 122.244 120.570 -0.067 0.000 2.499 364 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 364 I C -1.323 174.773 176.117 -0.035 0.000 1.048 364 I CA -0.728 60.539 61.300 -0.055 0.000 1.062 364 I CB 2.650 40.623 38.000 -0.045 0.000 1.238 364 I HN 0.347 nan 8.210 nan 0.000 0.426 365 D N 6.801 127.184 120.400 -0.028 0.000 2.481 365 D HA 0.336 4.976 4.640 -0.000 0.000 0.246 365 D C 0.361 176.655 176.300 -0.010 0.000 1.109 365 D CA -0.394 53.593 54.000 -0.021 0.000 0.845 365 D CB 2.050 42.833 40.800 -0.028 0.000 1.160 365 D HN 0.479 nan 8.370 nan 0.000 0.534 366 L N 3.023 124.242 121.223 -0.007 0.000 2.492 366 L HA 0.162 4.502 4.340 -0.000 0.000 0.223 366 L C 1.408 178.276 176.870 -0.002 0.000 1.132 366 L CA 0.328 55.167 54.840 -0.001 0.000 0.850 366 L CB -0.285 41.773 42.059 -0.002 0.000 0.966 366 L HN 0.645 nan 8.230 nan 0.000 0.454 367 A N 0.377 123.192 122.820 -0.008 0.000 2.560 367 A HA -0.225 4.095 4.320 -0.000 0.000 0.299 367 A C 0.937 178.517 177.584 -0.008 0.000 1.484 367 A CA 1.062 53.093 52.037 -0.011 0.000 0.749 367 A CB -1.904 17.087 19.000 -0.015 0.000 1.072 367 A HN 0.511 nan 8.150 nan 0.000 0.426 368 I N -2.446 118.121 120.570 -0.006 0.000 3.570 368 I HA 0.460 4.630 4.170 -0.000 0.000 0.270 368 I C 1.454 177.569 176.117 -0.005 0.000 1.162 368 I CA 0.847 62.144 61.300 -0.005 0.000 1.413 368 I CB 0.202 38.200 38.000 -0.003 0.000 1.437 368 I HN 0.734 nan 8.210 nan 0.000 0.457 369 A N 0.214 123.032 122.820 -0.004 0.000 4.367 369 A HA 0.557 4.877 4.320 -0.000 0.000 0.174 369 A C -0.115 177.468 177.584 -0.003 0.000 0.690 369 A CA 0.583 52.619 52.037 -0.003 0.000 0.856 369 A CB -0.530 18.470 19.000 -0.001 0.000 1.848 369 A HN 0.131 nan 8.150 nan 0.000 0.887 370 D N -0.286 120.114 120.400 0.000 0.000 2.479 370 D HA 0.475 5.115 4.640 -0.000 0.000 0.218 370 D C 0.736 177.041 176.300 0.008 0.000 1.177 370 D CA 0.556 54.556 54.000 0.001 0.000 0.830 370 D CB 0.123 40.922 40.800 -0.001 0.000 1.014 370 D HN 1.118 nan 8.370 nan 0.000 0.503 371 G N -0.215 108.593 108.800 0.014 0.000 2.398 371 G HA2 0.572 4.531 3.960 -0.000 0.000 0.246 371 G HA3 0.572 4.531 3.960 -0.000 0.000 0.246 371 G C 0.062 174.986 174.900 0.040 0.000 1.289 371 G CA 0.705 45.822 45.100 0.029 0.000 0.869 371 G HN 1.096 nan 8.290 nan 0.000 0.543 372 A N 1.141 124.001 122.820 0.067 0.000 2.572 372 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 372 A C -1.573 176.111 177.584 0.167 0.000 1.072 372 A CA -0.597 51.486 52.037 0.077 0.000 0.691 372 A CB 1.774 20.788 19.000 0.023 0.000 1.291 372 A HN 1.301 nan 8.150 nan 0.000 0.404 373 F N -0.181 119.749 119.950 -0.034 0.000 2.725 373 F HA 0.607 5.134 4.527 -0.000 0.000 0.309 373 F C -0.853 174.909 175.800 -0.063 0.000 1.132 373 F CA 0.123 58.102 58.000 -0.035 0.000 0.957 373 F CB 1.941 40.923 39.000 -0.029 0.000 1.286 373 F HN 0.577 nan 8.300 nan 0.000 0.440 374 T N 4.298 118.764 114.554 -0.146 0.000 2.841 374 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 374 T C -0.922 173.718 174.700 -0.100 0.000 0.991 374 T CA -0.576 61.444 62.100 -0.134 0.000 0.966 374 T CB 1.362 70.069 68.868 -0.268 0.000 0.962 374 T HN 0.638 nan 8.240 nan 0.000 0.438 375 V N 1.143 120.973 119.914 -0.141 0.000 3.096 375 V HA 0.834 4.954 4.120 -0.000 0.000 0.319 375 V C -1.584 174.235 176.094 -0.459 0.000 1.103 375 V CA -1.076 61.168 62.300 -0.094 0.000 1.016 375 V CB 1.279 33.132 31.823 0.050 0.000 1.090 375 V HN 0.805 nan 8.190 nan 0.000 0.449 376 Y N 0.062 120.394 120.300 0.053 0.000 2.512 376 Y HA 0.914 5.464 4.550 -0.000 0.000 0.348 376 Y C 0.616 176.533 175.900 0.028 0.000 0.990 376 Y CA 0.176 58.292 58.100 0.027 0.000 1.033 376 Y CB 2.562 41.020 38.460 -0.003 0.000 1.259 376 Y HN 1.181 nan 8.280 nan 0.000 0.461 377 G N -0.255 108.647 108.800 0.170 0.000 2.650 377 G HA2 0.609 4.569 3.960 -0.000 0.000 0.310 377 G HA3 0.609 4.569 3.960 -0.000 0.000 0.310 377 G C -1.434 173.517 174.900 0.086 0.000 1.270 377 G CA -0.362 44.800 45.100 0.103 0.000 0.810 377 G HN 1.077 nan 8.290 nan 0.000 0.493 378 C N -0.495 118.835 119.300 0.050 0.000 3.318 378 C HA 0.819 5.279 4.460 -0.000 0.000 0.322 378 C C -0.803 174.195 174.990 0.014 0.000 1.398 378 C CA -0.652 58.391 59.018 0.041 0.000 1.339 378 C CB 1.366 29.132 27.740 0.043 0.000 1.668 378 C HN 0.996 nan 8.230 nan 0.000 0.462 379 D N 0.731 121.143 120.400 0.019 0.000 2.358 379 D HA 0.425 5.065 4.640 -0.000 0.000 0.244 379 D C -0.567 175.692 176.300 -0.069 0.000 1.163 379 D CA -0.287 53.715 54.000 0.004 0.000 0.945 379 D CB 0.756 41.600 40.800 0.073 0.000 1.152 379 D HN 0.689 nan 8.370 nan 0.000 0.451 380 L N 0.863 122.015 121.223 -0.119 0.000 2.275 380 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 380 L C -0.030 176.641 176.870 -0.333 0.000 1.046 380 L CA 0.110 54.833 54.840 -0.196 0.000 0.805 380 L CB 1.027 42.978 42.059 -0.179 0.000 1.193 380 L HN 0.775 nan 8.230 nan 0.000 0.426 381 T N -0.179 114.195 114.554 -0.301 0.000 2.831 381 T HA 0.447 4.797 4.350 -0.000 0.000 0.287 381 T C 0.638 175.254 174.700 -0.139 0.000 1.070 381 T CA -0.535 61.301 62.100 -0.441 0.000 1.010 381 T CB 1.005 69.632 68.868 -0.402 0.000 1.264 381 T HN 0.626 nan 8.240 nan 0.000 0.532 382 E N 0.075 120.218 120.200 -0.094 0.000 2.204 382 E HA 0.034 4.384 4.350 -0.000 0.000 0.194 382 E C 2.178 178.788 176.600 0.018 0.000 0.989 382 E CA 0.853 57.250 56.400 -0.005 0.000 0.824 382 E CB -0.555 29.156 29.700 0.018 0.000 0.756 382 E HN 0.849 nan 8.360 nan 0.000 0.477 383 G N 0.613 109.420 108.800 0.012 0.000 2.442 383 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 383 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 383 G C 1.348 176.263 174.900 0.026 0.000 1.141 383 G CA 0.771 45.882 45.100 0.018 0.000 0.763 383 G HN 0.287 nan 8.290 nan 0.000 0.554 384 Y N 1.073 121.342 120.300 -0.052 0.000 2.163 384 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 384 Y C 2.855 178.735 175.900 -0.032 0.000 1.136 384 Y CA 1.587 59.662 58.100 -0.041 0.000 1.147 384 Y CB -0.183 38.246 38.460 -0.051 0.000 0.987 384 Y HN 0.041 nan 8.280 nan 0.000 0.509 385 V N 0.234 120.247 119.914 0.166 0.000 2.427 385 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 385 V C 2.343 178.433 176.094 -0.007 0.000 1.051 385 V CA 2.133 64.487 62.300 0.091 0.000 1.048 385 V CB -0.631 31.241 31.823 0.082 0.000 0.666 385 V HN 0.243 nan 8.190 nan 0.000 0.456 386 R N -0.229 120.263 120.500 -0.013 0.000 2.073 386 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 386 R C 2.265 178.529 176.300 -0.060 0.000 1.134 386 R CA 1.518 57.602 56.100 -0.027 0.000 0.952 386 R CB -0.464 29.827 30.300 -0.014 0.000 0.850 386 R HN 0.408 nan 8.270 nan 0.000 0.433 387 L N 0.467 121.632 121.223 -0.098 0.000 2.017 387 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 387 L C 1.517 178.294 176.870 -0.155 0.000 1.073 387 L CA 1.117 55.881 54.840 -0.126 0.000 0.745 387 L CB -0.382 41.581 42.059 -0.159 0.000 0.894 387 L HN 0.271 nan 8.230 nan 0.000 0.432 388 N N -0.281 118.281 118.700 -0.231 0.000 2.467 388 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 388 N C 1.744 177.194 175.510 -0.100 0.000 1.106 388 N CA 1.042 53.969 53.050 -0.206 0.000 0.892 388 N CB 0.264 38.542 38.487 -0.349 0.000 0.969 388 N HN 0.359 nan 8.380 nan 0.000 0.454 389 S N 0.197 115.855 115.700 -0.070 0.000 2.524 389 S HA 0.187 4.657 4.470 -0.000 0.000 0.216 389 S C 1.052 175.631 174.600 -0.034 0.000 0.987 389 S CA 0.358 58.537 58.200 -0.036 0.000 0.909 389 S CB 0.014 63.203 63.200 -0.019 0.000 0.781 389 S HN 0.421 nan 8.310 nan 0.000 0.521 390 E N 0.000 120.173 120.200 -0.045 0.000 2.725 390 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 390 E CA 0.000 56.378 56.400 -0.036 0.000 0.976 390 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440