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 2d44_1_A DATA FIRST_RESID 18 DATA SEQUENCE MGPcDIYEAG DTPcVAAHST TRALYSSFSG ALYQLQRGSD DTTTTISPLT DATA SEQUENCE AGGIADASAQ DTFcANTTcL ITIIYDQSGN GNHLTQAPPG GFDGPDTDGY DATA SEQUENCE DNLASAIGAP VTLNGQKAYG VFMSPGTGYR NNEATGTATG DEAEGMYAVL DATA SEQUENCE DGTHYNDACC FDYGNAETSS TDTGAGHMEA IYLGNSTTWG YGAGDGPWIM DATA SEQUENCE VDMANNLFSG ADEGYNSGDP SISYRFVTAA VKGGADKWAI RGANAASGSL DATA SEQUENCE STYYSGARPD YSGYNPMSKE GAIILGIGGD NSNGAQGTFY EGVMTSGYPS DATA SEQUENCE DDTENSVQEN IVAAKYVVGS LVSGPSFTSG EVVSLRVTTP GYTTRYIAHT DATA SEQUENCE DTTVNTQVVD DDSSTTLKEE ASWTVVTGLA NSQcFSFESV DTPGSYIRHY DATA SEQUENCE NFELLLNAND GTKQFHEDAT FcPQAALNGE GTSLRSWSYP TRYFRHYENV DATA SEQUENCE LYAASNGGVQ TFDSKTSFNN DVSFEIETAF AS 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 18 M HA 0.000 nan 4.480 nan 0.000 0.227 18 M C 0.000 176.294 176.300 -0.011 0.000 1.140 18 M CA 0.000 55.301 55.300 0.002 0.000 0.988 18 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 19 G N 0.818 109.613 108.800 -0.009 0.000 2.552 19 G HA2 0.688 4.655 3.960 0.011 0.000 0.324 19 G HA3 0.688 4.655 3.960 0.011 0.000 0.324 19 G C -2.670 172.181 174.900 -0.081 0.000 1.217 19 G CA -1.472 43.611 45.100 -0.028 0.000 0.989 19 G HN 0.369 nan 8.290 nan 0.000 0.490 20 P HA -0.178 nan 4.420 nan 0.000 0.216 20 P C 1.912 179.185 177.300 -0.044 0.000 1.167 20 P CA 1.729 64.783 63.100 -0.077 0.000 0.914 20 P CB 0.138 31.889 31.700 0.085 0.000 0.793 21 c N -1.195 117.318 118.600 -0.144 0.000 2.432 21 c HA -0.086 4.491 4.570 0.011 0.000 0.280 21 c C 2.291 176.300 174.090 -0.135 0.000 1.353 21 c CA 0.758 56.948 56.329 -0.232 0.000 1.766 21 c CB -1.756 40.139 42.510 -1.026 0.000 1.924 21 c HN 0.336 nan 8.230 nan 0.000 0.509 22 D N 1.032 121.357 120.400 -0.125 0.000 2.117 22 D HA -0.056 4.591 4.640 0.011 0.000 0.198 22 D C 1.943 178.242 176.300 -0.002 0.000 0.982 22 D CA 1.137 55.139 54.000 0.004 0.000 0.828 22 D CB -0.264 40.551 40.800 0.025 0.000 0.967 22 D HN 0.470 nan 8.370 nan 0.000 0.464 23 I N 0.245 120.776 120.570 -0.066 0.000 2.226 23 I HA -0.294 3.883 4.170 0.011 0.000 0.245 23 I C 2.276 178.338 176.117 -0.092 0.000 1.100 23 I CA 1.007 62.235 61.300 -0.120 0.000 1.374 23 I CB -0.294 37.561 38.000 -0.241 0.000 1.057 23 I HN -0.046 nan 8.210 nan 0.000 0.413 24 Y N 0.813 121.087 120.300 -0.043 0.000 2.224 24 Y HA -0.225 4.332 4.550 0.012 0.000 0.289 24 Y C 2.672 178.574 175.900 0.003 0.000 1.146 24 Y CA 1.303 59.391 58.100 -0.019 0.000 1.182 24 Y CB -0.370 38.084 38.460 -0.010 0.000 0.983 24 Y HN 0.153 nan 8.280 nan 0.000 0.524 25 E N 0.278 120.583 120.200 0.174 0.000 2.072 25 E HA -0.178 4.179 4.350 0.011 0.000 0.191 25 E C 2.325 178.979 176.600 0.089 0.000 0.985 25 E CA 1.065 57.541 56.400 0.128 0.000 0.801 25 E CB -0.193 29.585 29.700 0.130 0.000 0.750 25 E HN 0.382 nan 8.360 nan 0.000 0.452 26 A N 0.292 123.150 122.820 0.062 0.000 2.019 26 A HA -0.078 4.249 4.320 0.011 0.000 0.219 26 A C 2.215 179.821 177.584 0.036 0.000 1.164 26 A CA 1.641 53.700 52.037 0.036 0.000 0.644 26 A CB -0.640 18.365 19.000 0.009 0.000 0.805 26 A HN 0.322 nan 8.150 nan 0.000 0.449 27 G N -2.100 106.731 108.800 0.051 0.000 3.141 27 G HA2 0.290 4.257 3.960 0.011 0.000 0.218 27 G HA3 0.290 4.257 3.960 0.011 0.000 0.218 27 G C 0.214 175.160 174.900 0.077 0.000 1.170 27 G CA 0.704 45.837 45.100 0.056 0.000 0.769 27 G HN 0.371 nan 8.290 nan 0.000 0.546 28 D N -0.251 120.197 120.400 0.080 0.000 3.090 28 D HA -0.151 4.496 4.640 0.011 0.000 0.215 28 D C 0.615 176.966 176.300 0.085 0.000 1.140 28 D CA 1.683 55.727 54.000 0.075 0.000 0.937 28 D CB -1.497 39.339 40.800 0.060 0.000 1.108 28 D HN 0.611 nan 8.370 nan 0.000 0.420 29 T N -1.960 112.661 114.554 0.111 0.000 3.410 29 T HA 0.529 4.885 4.350 0.011 0.000 0.328 29 T C -2.856 171.891 174.700 0.079 0.000 1.567 29 T CA -1.523 60.632 62.100 0.092 0.000 1.626 29 T CB 2.082 71.017 68.868 0.113 0.000 0.939 29 T HN -0.203 nan 8.240 nan 0.000 0.656 30 P HA 0.268 nan 4.420 nan 0.000 0.269 30 P C 0.093 177.395 177.300 0.004 0.000 1.215 30 P CA -0.577 62.568 63.100 0.074 0.000 0.780 30 P CB 0.407 32.160 31.700 0.088 0.000 0.898 31 c N 2.096 120.710 118.600 0.023 0.000 2.653 31 c HA 0.119 4.695 4.570 0.011 0.000 0.421 31 c C 1.985 176.099 174.090 0.041 0.000 1.334 31 c CA 0.081 56.401 56.329 -0.014 0.000 1.885 31 c CB -0.661 41.867 42.510 0.029 0.000 2.645 31 c HN 0.520 nan 8.230 nan 0.000 0.601 32 V N 0.350 120.264 119.914 -0.001 0.000 3.556 32 V HA 0.583 4.710 4.120 0.011 0.000 0.287 32 V C 0.479 176.570 176.094 -0.005 0.000 1.422 32 V CA 0.520 62.824 62.300 0.007 0.000 1.038 32 V CB -0.690 31.128 31.823 -0.007 0.000 0.850 32 V HN 1.022 nan 8.190 nan 0.000 0.437 33 A N 0.122 122.932 122.820 -0.016 0.000 2.513 33 A HA 0.933 5.260 4.320 0.011 0.000 0.296 33 A C -0.702 176.808 177.584 -0.123 0.000 1.052 33 A CA 0.194 52.191 52.037 -0.068 0.000 0.714 33 A CB 1.438 20.465 19.000 0.045 0.000 1.279 33 A HN 1.580 nan 8.150 nan 0.000 0.397 34 A N 2.514 125.130 122.820 -0.339 0.000 2.442 34 A HA 0.770 5.096 4.320 0.011 0.000 0.284 34 A C -1.206 176.144 177.584 -0.390 0.000 1.058 34 A CA -0.377 51.531 52.037 -0.215 0.000 0.738 34 A CB 0.656 19.654 19.000 -0.003 0.000 1.242 34 A HN 1.041 nan 8.150 nan 0.000 0.421 35 H N 0.375 119.548 119.070 0.171 0.000 2.637 35 H HA 0.864 5.427 4.556 0.011 0.000 0.363 35 H C -0.352 175.110 175.328 0.224 0.000 1.131 35 H CA -0.384 55.788 56.048 0.206 0.000 1.183 35 H CB 2.108 31.996 29.762 0.211 0.000 1.637 35 H HN 0.637 nan 8.280 nan 0.000 0.531 36 S N 0.387 116.282 115.700 0.325 0.000 2.602 36 S HA 0.153 4.629 4.470 0.011 0.000 0.301 36 S C 0.201 174.964 174.600 0.270 0.000 1.091 36 S CA -0.215 58.120 58.200 0.226 0.000 0.895 36 S CB 0.517 63.801 63.200 0.141 0.000 1.090 36 S HN 0.852 nan 8.310 nan 0.000 0.449 37 T N 0.213 114.898 114.554 0.219 0.000 3.086 37 T HA 0.135 4.492 4.350 0.011 0.000 0.250 37 T C 1.519 176.404 174.700 0.309 0.000 1.074 37 T CA 0.917 63.141 62.100 0.206 0.000 0.988 37 T CB -0.168 68.516 68.868 -0.307 0.000 0.988 37 T HN 0.722 nan 8.240 nan 0.000 0.530 38 T N -0.156 114.550 114.554 0.253 0.000 3.042 38 T HA 0.295 4.652 4.350 0.011 0.000 0.245 38 T C 0.758 175.545 174.700 0.146 0.000 1.029 38 T CA -0.393 61.827 62.100 0.200 0.000 1.120 38 T CB 0.022 68.991 68.868 0.168 0.000 0.917 38 T HN 0.697 nan 8.240 nan 0.000 0.467 39 R N 0.104 120.699 120.500 0.157 0.000 2.734 39 R HA 0.795 5.141 4.340 0.011 0.000 0.271 39 R C -1.333 175.071 176.300 0.174 0.000 1.021 39 R CA -0.973 55.208 56.100 0.134 0.000 0.893 39 R CB 0.996 31.331 30.300 0.058 0.000 1.244 39 R HN 0.114 nan 8.270 nan 0.000 0.464 40 A N 1.492 124.433 122.820 0.201 0.000 2.425 40 A HA 0.370 4.696 4.320 0.011 0.000 0.249 40 A C 0.452 178.134 177.584 0.164 0.000 1.084 40 A CA -0.644 51.549 52.037 0.260 0.000 0.781 40 A CB 0.087 19.318 19.000 0.384 0.000 1.019 40 A HN 0.721 nan 8.150 nan 0.000 0.490 41 L N 0.773 122.069 121.223 0.122 0.000 2.640 41 L HA 0.221 4.568 4.340 0.011 0.000 0.230 41 L C -0.794 176.026 176.870 -0.083 0.000 1.123 41 L CA 0.238 55.093 54.840 0.025 0.000 0.900 41 L CB -0.275 41.767 42.059 -0.028 0.000 1.146 41 L HN 0.698 nan 8.230 nan 0.000 0.484 42 Y N -1.131 119.223 120.300 0.089 0.000 2.425 42 Y HA 0.119 4.676 4.550 0.012 0.000 0.344 42 Y C 1.457 177.437 175.900 0.135 0.000 0.969 42 Y CA -0.590 57.578 58.100 0.114 0.000 1.052 42 Y CB 1.914 40.458 38.460 0.140 0.000 1.215 42 Y HN -0.059 nan 8.280 nan 0.000 0.451 43 S N -0.669 115.173 115.700 0.236 0.000 2.442 43 S HA -0.166 4.310 4.470 0.011 0.000 0.236 43 S C 1.326 176.024 174.600 0.164 0.000 1.007 43 S CA 1.399 59.694 58.200 0.159 0.000 0.965 43 S CB -0.391 62.871 63.200 0.104 0.000 0.773 43 S HN 0.639 nan 8.310 nan 0.000 0.504 44 S N -0.418 115.406 115.700 0.207 0.000 2.554 44 S HA 0.366 4.842 4.470 0.011 0.000 0.226 44 S C -0.120 174.570 174.600 0.150 0.000 0.980 44 S CA -0.875 57.410 58.200 0.141 0.000 0.939 44 S CB -0.634 62.628 63.200 0.103 0.000 0.832 44 S HN 0.436 nan 8.310 nan 0.000 0.486 45 F N 3.736 123.737 119.950 0.085 0.000 2.410 45 F HA 0.564 5.098 4.527 0.011 0.000 0.348 45 F C 0.906 176.729 175.800 0.039 0.000 1.106 45 F CA -0.002 58.025 58.000 0.046 0.000 1.163 45 F CB 1.505 40.570 39.000 0.110 0.000 1.129 45 F HN 0.198 nan 8.300 nan 0.000 0.516 46 S N 2.408 117.645 115.700 -0.772 0.000 2.911 46 S HA 0.337 4.814 4.470 0.011 0.000 0.261 46 S C 0.620 174.779 174.600 -0.734 0.000 1.021 46 S CA -0.091 57.792 58.200 -0.528 0.000 1.222 46 S CB -0.551 62.492 63.200 -0.263 0.000 1.171 46 S HN 0.846 nan 8.310 nan 0.000 0.669 47 G N 1.831 109.744 108.800 -1.479 0.000 2.468 47 G HA2 0.579 4.545 3.960 0.011 0.000 0.264 47 G HA3 0.579 4.545 3.960 0.011 0.000 0.264 47 G C 0.200 174.866 174.900 -0.390 0.000 1.460 47 G CA -0.305 44.281 45.100 -0.857 0.000 1.060 47 G HN 0.817 nan 8.290 nan 0.000 0.543 48 A N -1.185 121.544 122.820 -0.152 0.000 2.363 48 A HA 0.549 4.876 4.320 0.011 0.000 0.270 48 A C 1.147 178.931 177.584 0.333 0.000 1.121 48 A CA -0.478 51.536 52.037 -0.039 0.000 0.800 48 A CB 0.619 19.409 19.000 -0.351 0.000 1.052 48 A HN 0.516 nan 8.150 nan 0.000 0.493 49 L N 1.095 122.525 121.223 0.345 0.000 2.168 49 L HA 0.172 4.519 4.340 0.011 0.000 0.203 49 L C 0.414 177.643 176.870 0.598 0.000 1.078 49 L CA 0.803 55.929 54.840 0.477 0.000 0.780 49 L CB -0.340 41.982 42.059 0.439 0.000 0.939 49 L HN 0.904 nan 8.230 nan 0.000 0.451 50 Y N -3.333 117.202 120.300 0.392 0.000 2.713 50 Y HA 0.517 5.074 4.550 0.011 0.000 0.335 50 Y C -0.985 175.017 175.900 0.170 0.000 1.222 50 Y CA -1.482 56.711 58.100 0.155 0.000 1.061 50 Y CB 0.818 39.310 38.460 0.054 0.000 1.314 50 Y HN -0.210 nan 8.280 nan 0.000 0.453 51 Q N 1.591 121.476 119.800 0.141 0.000 2.345 51 Q HA 0.757 5.104 4.340 0.011 0.000 0.268 51 Q C -1.880 174.226 176.000 0.176 0.000 1.054 51 Q CA -0.918 54.947 55.803 0.103 0.000 0.835 51 Q CB 2.085 30.848 28.738 0.042 0.000 1.339 51 Q HN 0.833 nan 8.270 nan 0.000 0.447 52 L N 1.717 123.005 121.223 0.109 0.000 2.303 52 L HA 0.602 4.949 4.340 0.011 0.000 0.266 52 L C -0.779 176.219 176.870 0.213 0.000 1.011 52 L CA -0.774 54.183 54.840 0.194 0.000 0.818 52 L CB 2.232 44.433 42.059 0.238 0.000 1.326 52 L HN 0.635 nan 8.230 nan 0.000 0.435 53 Q N 1.878 121.850 119.800 0.287 0.000 2.296 53 Q HA 0.333 4.679 4.340 0.011 0.000 0.254 53 Q C -1.489 174.628 176.000 0.194 0.000 0.936 53 Q CA -0.801 55.164 55.803 0.270 0.000 0.834 53 Q CB 1.950 30.767 28.738 0.130 0.000 1.340 53 Q HN 0.679 nan 8.270 nan 0.000 0.428 54 R N 1.777 122.352 120.500 0.125 0.000 2.410 54 R HA 0.489 4.836 4.340 0.011 0.000 0.288 54 R C 0.750 176.988 176.300 -0.103 0.000 1.051 54 R CA 0.068 56.100 56.100 -0.114 0.000 1.021 54 R CB 0.747 30.762 30.300 -0.474 0.000 1.032 54 R HN 0.692 nan 8.270 nan 0.000 0.481 55 G N 1.245 109.970 108.800 -0.125 0.000 2.471 55 G HA2 -0.302 3.665 3.960 0.011 0.000 0.219 55 G HA3 -0.302 3.665 3.960 0.011 0.000 0.219 55 G C 1.364 176.179 174.900 -0.143 0.000 1.125 55 G CA 0.638 45.646 45.100 -0.152 0.000 0.775 55 G HN 0.797 nan 8.290 nan 0.000 0.548 56 S N 1.779 117.396 115.700 -0.140 0.000 2.359 56 S HA -0.207 4.269 4.470 0.011 0.000 0.222 56 S C 1.642 176.192 174.600 -0.083 0.000 1.038 56 S CA 2.074 60.207 58.200 -0.111 0.000 1.051 56 S CB -0.354 62.768 63.200 -0.130 0.000 0.944 56 S HN 0.539 nan 8.310 nan 0.000 0.433 57 D N -1.502 118.852 120.400 -0.078 0.000 2.520 57 D HA 0.228 4.874 4.640 0.011 0.000 0.223 57 D C -0.236 176.052 176.300 -0.020 0.000 1.186 57 D CA 0.258 54.233 54.000 -0.041 0.000 0.821 57 D CB -0.215 40.570 40.800 -0.026 0.000 1.072 57 D HN 0.179 nan 8.370 nan 0.000 0.518 58 D N 0.110 120.496 120.400 -0.024 0.000 3.077 58 D HA -0.158 4.488 4.640 0.011 0.000 0.212 58 D C 0.092 176.429 176.300 0.060 0.000 1.125 58 D CA 1.535 55.538 54.000 0.005 0.000 0.970 58 D CB -1.992 38.800 40.800 -0.014 0.000 1.110 58 D HN 0.579 nan 8.370 nan 0.000 0.419 59 T N -2.146 112.471 114.554 0.105 0.000 2.788 59 T HA 0.567 4.924 4.350 0.011 0.000 0.287 59 T C 0.817 175.703 174.700 0.309 0.000 1.007 59 T CA 0.198 62.404 62.100 0.177 0.000 1.005 59 T CB 2.095 71.085 68.868 0.202 0.000 1.012 59 T HN 0.215 nan 8.240 nan 0.000 0.530 60 T N -2.329 112.343 114.554 0.197 0.000 2.888 60 T HA 0.756 5.113 4.350 0.011 0.000 0.288 60 T C -0.381 174.173 174.700 -0.242 0.000 1.063 60 T CA -0.732 61.411 62.100 0.071 0.000 1.010 60 T CB 1.828 70.718 68.868 0.036 0.000 1.214 60 T HN 1.002 nan 8.240 nan 0.000 0.533 61 T N 0.118 114.418 114.554 -0.423 0.000 2.775 61 T HA 0.637 4.994 4.350 0.011 0.000 0.320 61 T C -1.274 173.240 174.700 -0.309 0.000 1.597 61 T CA -0.205 61.590 62.100 -0.508 0.000 1.022 61 T CB 1.364 69.613 68.868 -1.032 0.000 1.485 61 T HN 1.319 nan 8.240 nan 0.000 0.494 62 T N 0.919 115.332 114.554 -0.234 0.000 2.932 62 T HA 0.815 5.172 4.350 0.011 0.000 0.289 62 T C -0.842 173.710 174.700 -0.247 0.000 1.039 62 T CA -0.892 61.107 62.100 -0.169 0.000 1.024 62 T CB 1.168 69.990 68.868 -0.078 0.000 1.090 62 T HN 0.460 nan 8.240 nan 0.000 0.496 63 I N 2.050 122.400 120.570 -0.366 0.000 2.418 63 I HA 0.474 4.650 4.170 0.011 0.000 0.287 63 I C 0.022 176.003 176.117 -0.227 0.000 1.008 63 I CA -0.572 60.506 61.300 -0.370 0.000 1.104 63 I CB 1.347 38.938 38.000 -0.682 0.000 1.264 63 I HN 0.755 nan 8.210 nan 0.000 0.438 64 S N 6.961 122.599 115.700 -0.104 0.000 2.704 64 S HA 0.673 5.149 4.470 0.011 0.000 0.305 64 S C -2.490 172.123 174.600 0.021 0.000 1.107 64 S CA -1.244 56.937 58.200 -0.032 0.000 0.993 64 S CB 2.067 65.211 63.200 -0.094 0.000 1.110 64 S HN 0.357 nan 8.310 nan 0.000 0.534 65 P HA 0.197 nan 4.420 nan 0.000 0.271 65 P C 0.511 177.827 177.300 0.026 0.000 1.233 65 P CA -0.170 62.975 63.100 0.076 0.000 0.789 65 P CB 0.382 32.148 31.700 0.109 0.000 0.951 66 L N -1.028 120.212 121.223 0.029 0.000 2.156 66 L HA -0.015 4.331 4.340 0.011 0.000 0.208 66 L C 1.326 178.196 176.870 0.000 0.000 1.095 66 L CA 1.518 56.365 54.840 0.012 0.000 0.770 66 L CB -0.234 41.833 42.059 0.013 0.000 0.914 66 L HN 0.470 nan 8.230 nan 0.000 0.439 67 T N -1.621 112.937 114.554 0.007 0.000 2.843 67 T HA 0.609 4.966 4.350 0.011 0.000 0.302 67 T C -1.102 173.604 174.700 0.009 0.000 1.232 67 T CA -0.336 61.764 62.100 -0.001 0.000 1.009 67 T CB 1.407 70.277 68.868 0.003 0.000 1.254 67 T HN 0.042 nan 8.240 nan 0.000 0.504 68 A N 0.765 123.585 122.820 -0.001 0.000 2.566 68 A HA 0.474 4.800 4.320 0.011 0.000 0.245 68 A C 1.594 179.217 177.584 0.064 0.000 1.056 68 A CA 0.894 52.941 52.037 0.015 0.000 0.757 68 A CB -1.295 17.708 19.000 0.005 0.000 0.979 68 A HN 2.257 nan 8.150 nan 0.000 0.508 69 G N 1.752 110.628 108.800 0.127 0.000 2.203 69 G HA2 0.011 3.977 3.960 0.011 0.000 0.263 69 G HA3 0.011 3.977 3.960 0.011 0.000 0.263 69 G C 0.816 175.779 174.900 0.106 0.000 1.012 69 G CA 0.976 46.167 45.100 0.152 0.000 0.749 69 G HN 1.834 nan 8.290 nan 0.000 0.512 70 G N -1.255 107.601 108.800 0.093 0.000 2.702 70 G HA2 0.680 4.647 3.960 0.011 0.000 0.254 70 G HA3 0.680 4.647 3.960 0.011 0.000 0.254 70 G C 0.088 175.029 174.900 0.068 0.000 1.380 70 G CA -0.854 44.282 45.100 0.059 0.000 1.042 70 G HN 0.298 nan 8.290 nan 0.000 0.557 71 I N 1.118 121.710 120.570 0.036 0.000 2.532 71 I HA 0.395 4.572 4.170 0.011 0.000 0.292 71 I C 1.279 177.438 176.117 0.069 0.000 1.014 71 I CA -1.055 60.265 61.300 0.033 0.000 1.340 71 I CB 0.810 38.798 38.000 -0.020 0.000 1.422 71 I HN 0.537 nan 8.210 nan 0.000 0.528 72 A N 3.690 126.576 122.820 0.111 0.000 2.555 72 A HA -0.058 4.269 4.320 0.011 0.000 0.233 72 A C 0.356 178.010 177.584 0.116 0.000 1.060 72 A CA -0.014 52.118 52.037 0.158 0.000 0.759 72 A CB -0.262 18.908 19.000 0.282 0.000 0.995 72 A HN 0.729 nan 8.150 nan 0.000 0.506 73 D N 2.266 122.725 120.400 0.098 0.000 2.517 73 D HA 0.419 5.066 4.640 0.011 0.000 0.220 73 D C 1.146 177.524 176.300 0.129 0.000 1.158 73 D CA 0.581 54.628 54.000 0.078 0.000 0.992 73 D CB 0.231 41.053 40.800 0.037 0.000 1.058 73 D HN 0.499 nan 8.370 nan 0.000 0.516 74 A N 2.465 125.379 122.820 0.156 0.000 1.902 74 A HA -0.179 4.148 4.320 0.011 0.000 0.217 74 A C 2.236 179.962 177.584 0.237 0.000 1.181 74 A CA 1.764 53.951 52.037 0.250 0.000 0.623 74 A CB -0.603 18.474 19.000 0.129 0.000 0.818 74 A HN 0.574 nan 8.150 nan 0.000 0.443 75 S N 0.302 116.090 115.700 0.147 0.000 2.419 75 S HA -0.057 4.419 4.470 0.011 0.000 0.235 75 S C 1.985 176.666 174.600 0.136 0.000 1.019 75 S CA 1.452 59.730 58.200 0.131 0.000 0.982 75 S CB -0.648 62.602 63.200 0.084 0.000 0.789 75 S HN 0.926 nan 8.310 nan 0.000 0.490 76 A N 1.367 124.260 122.820 0.122 0.000 1.930 76 A HA -0.078 4.248 4.320 0.011 0.000 0.217 76 A C 2.342 180.020 177.584 0.156 0.000 1.175 76 A CA 1.426 53.526 52.037 0.104 0.000 0.627 76 A CB -0.834 18.194 19.000 0.047 0.000 0.815 76 A HN 0.692 nan 8.150 nan 0.000 0.443 77 Q N -0.296 119.623 119.800 0.199 0.000 2.046 77 Q HA -0.213 4.133 4.340 0.011 0.000 0.200 77 Q C 1.212 177.357 176.000 0.242 0.000 0.975 77 Q CA 1.719 57.669 55.803 0.246 0.000 0.836 77 Q CB -0.189 28.723 28.738 0.289 0.000 0.896 77 Q HN 0.578 nan 8.270 nan 0.000 0.428 78 D N -0.088 120.453 120.400 0.235 0.000 2.123 78 D HA -0.140 4.506 4.640 0.011 0.000 0.196 78 D C 1.865 178.255 176.300 0.150 0.000 0.992 78 D CA 1.798 55.913 54.000 0.192 0.000 0.833 78 D CB -0.418 40.502 40.800 0.201 0.000 0.954 78 D HN 0.286 nan 8.370 nan 0.000 0.455 79 T N 0.544 115.192 114.554 0.156 0.000 2.674 79 T HA -0.165 4.192 4.350 0.011 0.000 0.265 79 T C 1.699 176.493 174.700 0.157 0.000 1.039 79 T CA 0.773 62.954 62.100 0.135 0.000 1.150 79 T CB -0.494 68.451 68.868 0.129 0.000 0.864 79 T HN 0.102 nan 8.240 nan 0.000 0.427 80 F N 1.287 121.264 119.950 0.044 0.000 2.171 80 F HA -0.066 4.468 4.527 0.011 0.000 0.300 80 F C 1.870 177.689 175.800 0.033 0.000 1.090 80 F CA 0.416 58.437 58.000 0.034 0.000 1.293 80 F CB -0.346 38.675 39.000 0.034 0.000 1.013 80 F HN 0.159 nan 8.300 nan 0.000 0.486 81 c N 0.982 119.593 118.600 0.019 0.000 2.673 81 c HA 0.600 5.176 4.570 0.011 0.000 0.274 81 c C 1.295 175.351 174.090 -0.056 0.000 1.276 81 c CA -0.446 55.834 56.329 -0.082 0.000 1.701 81 c CB -2.420 40.110 42.510 0.033 0.000 1.836 81 c HN 0.453 nan 8.230 nan 0.000 0.596 82 A N 1.413 124.211 122.820 -0.035 0.000 2.531 82 A HA 0.284 4.610 4.320 0.011 0.000 0.236 82 A C 0.756 178.314 177.584 -0.042 0.000 1.062 82 A CA 0.297 52.326 52.037 -0.014 0.000 0.760 82 A CB -0.271 18.732 19.000 0.005 0.000 0.995 82 A HN 0.725 nan 8.150 nan 0.000 0.501 83 N N -0.805 117.882 118.700 -0.023 0.000 2.693 83 N HA -0.168 4.579 4.740 0.011 0.000 0.249 83 N C 0.023 175.508 175.510 -0.042 0.000 1.119 83 N CA 1.878 54.909 53.050 -0.032 0.000 0.717 83 N CB -1.105 37.363 38.487 -0.031 0.000 1.071 83 N HN 0.981 nan 8.380 nan 0.000 0.555 84 T N -2.658 111.868 114.554 -0.047 0.000 2.645 84 T HA 0.661 5.018 4.350 0.011 0.000 0.300 84 T C -1.017 173.668 174.700 -0.025 0.000 1.210 84 T CA 0.005 62.074 62.100 -0.052 0.000 1.034 84 T CB 1.077 69.874 68.868 -0.118 0.000 1.537 84 T HN 0.158 nan 8.240 nan 0.000 0.492 85 T N -0.902 113.629 114.554 -0.038 0.000 2.940 85 T HA 0.761 5.117 4.350 0.011 0.000 0.288 85 T C -0.628 174.066 174.700 -0.010 0.000 1.033 85 T CA -0.593 61.522 62.100 0.024 0.000 1.033 85 T CB 0.930 69.824 68.868 0.042 0.000 1.079 85 T HN 0.696 nan 8.240 nan 0.000 0.496 86 c N 1.748 120.369 118.600 0.035 0.000 2.698 86 c HA 0.767 5.344 4.570 0.011 0.000 0.309 86 c C -0.645 173.480 174.090 0.057 0.000 1.186 86 c CA -0.807 55.552 56.329 0.049 0.000 1.474 86 c CB 0.948 43.504 42.510 0.078 0.000 2.020 86 c HN 0.922 nan 8.230 nan 0.000 0.474 87 L N 2.966 124.236 121.223 0.078 0.000 2.354 87 L HA 0.621 4.968 4.340 0.011 0.000 0.269 87 L C -0.590 176.353 176.870 0.121 0.000 1.005 87 L CA -0.629 54.259 54.840 0.080 0.000 0.819 87 L CB 1.597 43.688 42.059 0.053 0.000 1.311 87 L HN 0.527 nan 8.230 nan 0.000 0.423 88 I N 1.438 122.089 120.570 0.135 0.000 2.281 88 I HA 0.062 4.239 4.170 0.011 0.000 0.293 88 I C 1.254 177.495 176.117 0.206 0.000 1.085 88 I CA -0.058 61.329 61.300 0.145 0.000 1.257 88 I CB 1.356 39.379 38.000 0.038 0.000 1.430 88 I HN 0.801 nan 8.210 nan 0.000 0.489 89 T N 4.204 118.851 114.554 0.154 0.000 2.896 89 T HA 0.203 4.560 4.350 0.011 0.000 0.263 89 T C 0.695 175.456 174.700 0.102 0.000 1.050 89 T CA 0.786 62.965 62.100 0.132 0.000 1.140 89 T CB 0.187 69.099 68.868 0.073 0.000 0.877 89 T HN 0.356 nan 8.240 nan 0.000 0.457 90 I N 0.364 120.912 120.570 -0.035 0.000 2.722 90 I HA 0.449 4.626 4.170 0.011 0.000 0.295 90 I C -1.272 174.647 176.117 -0.329 0.000 1.161 90 I CA -1.224 59.935 61.300 -0.233 0.000 1.032 90 I CB 2.979 40.676 38.000 -0.505 0.000 1.244 90 I HN 0.015 nan 8.210 nan 0.000 0.421 91 I N 5.558 125.952 120.570 -0.293 0.000 2.428 91 I HA 0.277 4.454 4.170 0.011 0.000 0.279 91 I C -0.745 175.413 176.117 0.069 0.000 1.040 91 I CA -0.609 60.619 61.300 -0.120 0.000 1.171 91 I CB 0.399 38.276 38.000 -0.205 0.000 1.312 91 I HN 0.373 nan 8.210 nan 0.000 0.470 92 Y N 3.137 123.574 120.300 0.229 0.000 2.683 92 Y HA -0.025 4.531 4.550 0.011 0.000 0.340 92 Y C 0.844 176.965 175.900 0.367 0.000 1.245 92 Y CA 0.096 58.362 58.100 0.276 0.000 1.485 92 Y CB 0.180 38.695 38.460 0.092 0.000 1.328 92 Y HN 0.465 nan 8.280 nan 0.000 0.603 93 D N 1.922 122.747 120.400 0.709 0.000 2.313 93 D HA 0.123 4.769 4.640 0.011 0.000 0.239 93 D C 0.071 176.413 176.300 0.071 0.000 1.142 93 D CA -0.214 53.866 54.000 0.133 0.000 0.847 93 D CB 0.936 41.731 40.800 -0.008 0.000 1.082 93 D HN 0.588 nan 8.370 nan 0.000 0.480 94 Q N 1.675 121.380 119.800 -0.159 0.000 2.435 94 Q HA -0.065 4.282 4.340 0.011 0.000 0.207 94 Q C 1.796 177.645 176.000 -0.252 0.000 0.956 94 Q CA 0.689 56.218 55.803 -0.458 0.000 0.917 94 Q CB 0.164 28.402 28.738 -0.833 0.000 0.997 94 Q HN 0.620 nan 8.270 nan 0.000 0.497 95 S N -0.736 114.928 115.700 -0.060 0.000 2.423 95 S HA -0.016 4.461 4.470 0.011 0.000 0.231 95 S C 1.638 176.181 174.600 -0.095 0.000 1.014 95 S CA 0.963 59.139 58.200 -0.039 0.000 0.965 95 S CB 0.007 63.252 63.200 0.076 0.000 0.785 95 S HN 0.523 nan 8.310 nan 0.000 0.495 96 G N 1.235 110.012 108.800 -0.038 0.000 2.201 96 G HA2 -0.250 3.717 3.960 0.011 0.000 0.212 96 G HA3 -0.250 3.717 3.960 0.011 0.000 0.212 96 G C 0.574 175.468 174.900 -0.010 0.000 0.994 96 G CA 0.193 45.289 45.100 -0.007 0.000 0.644 96 G HN 0.566 nan 8.290 nan 0.000 0.508 97 N N 0.902 119.584 118.700 -0.030 0.000 2.515 97 N HA 0.324 5.070 4.740 0.011 0.000 0.185 97 N C 1.683 177.139 175.510 -0.090 0.000 1.109 97 N CA 0.656 53.681 53.050 -0.042 0.000 0.903 97 N CB -0.083 38.384 38.487 -0.033 0.000 0.969 97 N HN 1.295 nan 8.380 nan 0.000 0.450 98 G N 1.441 110.141 108.800 -0.166 0.000 2.176 98 G HA2 -0.249 3.717 3.960 0.011 0.000 0.252 98 G HA3 -0.249 3.717 3.960 0.011 0.000 0.252 98 G C -0.181 174.400 174.900 -0.531 0.000 1.024 98 G CA -0.270 44.579 45.100 -0.419 0.000 0.755 98 G HN 0.341 nan 8.290 nan 0.000 0.507 99 N N 1.460 119.967 118.700 -0.323 0.000 3.091 99 N HA 0.116 4.863 4.740 0.011 0.000 0.301 99 N C 0.415 175.957 175.510 0.053 0.000 1.325 99 N CA 0.011 52.999 53.050 -0.103 0.000 1.143 99 N CB -0.044 38.452 38.487 0.016 0.000 1.450 99 N HN 0.532 nan 8.380 nan 0.000 0.542 100 H N 0.236 119.429 119.070 0.205 0.000 2.771 100 H HA 0.154 4.716 4.556 0.011 0.000 0.364 100 H C 0.673 176.069 175.328 0.113 0.000 1.133 100 H CA 0.149 56.319 56.048 0.203 0.000 1.423 100 H CB 1.355 31.221 29.762 0.173 0.000 1.425 100 H HN 0.099 nan 8.280 nan 0.000 0.606 101 L N 2.099 123.412 121.223 0.149 0.000 2.295 101 L HA 0.319 4.666 4.340 0.011 0.000 0.285 101 L C 0.655 177.586 176.870 0.100 0.000 1.035 101 L CA -0.487 54.368 54.840 0.025 0.000 0.806 101 L CB 1.511 43.447 42.059 -0.205 0.000 1.214 101 L HN 0.740 nan 8.230 nan 0.000 0.426 102 T N -1.059 113.608 114.554 0.188 0.000 2.864 102 T HA 0.262 4.619 4.350 0.011 0.000 0.289 102 T C -0.416 174.419 174.700 0.225 0.000 1.082 102 T CA -0.924 61.313 62.100 0.227 0.000 1.009 102 T CB 1.364 70.315 68.868 0.138 0.000 1.234 102 T HN 0.506 nan 8.240 nan 0.000 0.526 103 Q N 0.714 120.587 119.800 0.122 0.000 2.478 103 Q HA 0.297 4.644 4.340 0.011 0.000 0.323 103 Q C 0.213 176.280 176.000 0.111 0.000 1.087 103 Q CA -0.247 55.558 55.803 0.002 0.000 1.056 103 Q CB -0.136 28.611 28.738 0.016 0.000 1.018 103 Q HN 0.875 nan 8.270 nan 0.000 0.387 104 A N 7.321 130.125 122.820 -0.026 0.000 2.520 104 A HA 0.296 4.622 4.320 0.011 0.000 0.245 104 A C -2.183 175.351 177.584 -0.084 0.000 1.072 104 A CA -1.010 51.007 52.037 -0.034 0.000 0.761 104 A CB 0.035 18.986 19.000 -0.082 0.000 1.004 104 A HN 0.626 nan 8.150 nan 0.000 0.499 105 P HA 0.356 nan 4.420 nan 0.000 0.280 105 P C -2.818 174.245 177.300 -0.395 0.000 1.272 105 P CA -1.829 60.849 63.100 -0.704 0.000 0.819 105 P CB 0.558 31.899 31.700 -0.597 0.000 1.122 106 P HA 0.198 nan 4.420 nan 0.000 0.272 106 P C 0.099 177.313 177.300 -0.143 0.000 1.230 106 P CA 0.467 63.457 63.100 -0.184 0.000 0.788 106 P CB 0.610 32.220 31.700 -0.151 0.000 0.949 107 G N -0.133 108.617 108.800 -0.083 0.000 3.255 107 G HA2 0.376 4.343 3.960 0.011 0.000 0.161 107 G HA3 0.376 4.343 3.960 0.011 0.000 0.161 107 G C 1.088 175.916 174.900 -0.121 0.000 1.173 107 G CA 0.261 45.305 45.100 -0.093 0.000 1.106 107 G HN 0.442 nan 8.290 nan 0.000 0.650 108 G N -0.389 108.312 108.800 -0.165 0.000 2.450 108 G HA2 0.151 4.118 3.960 0.011 0.000 0.220 108 G HA3 0.151 4.118 3.960 0.011 0.000 0.220 108 G C 0.211 174.793 174.900 -0.529 0.000 1.130 108 G CA 0.738 45.623 45.100 -0.358 0.000 0.760 108 G HN 0.188 nan 8.290 nan 0.000 0.557 109 F N -0.057 119.873 119.950 -0.034 0.000 2.561 109 F HA 0.463 4.997 4.527 0.012 0.000 0.321 109 F C -0.337 175.442 175.800 -0.035 0.000 1.065 109 F CA -1.481 56.505 58.000 -0.023 0.000 0.934 109 F CB 1.741 40.737 39.000 -0.007 0.000 1.215 109 F HN -0.188 nan 8.300 nan 0.000 0.471 110 D N 0.413 120.925 120.400 0.188 0.000 2.253 110 D HA 0.414 5.061 4.640 0.011 0.000 0.249 110 D C 0.222 176.570 176.300 0.080 0.000 1.049 110 D CA -0.043 54.007 54.000 0.084 0.000 0.929 110 D CB 1.812 42.650 40.800 0.063 0.000 1.176 110 D HN 0.693 nan 8.370 nan 0.000 0.437 111 G N 0.413 109.238 108.800 0.042 0.000 2.528 111 G HA2 0.328 4.295 3.960 0.011 0.000 0.289 111 G HA3 0.328 4.295 3.960 0.011 0.000 0.289 111 G C -1.709 173.223 174.900 0.054 0.000 1.192 111 G CA -0.951 44.174 45.100 0.043 0.000 0.921 111 G HN 0.269 nan 8.290 nan 0.000 0.512 112 P HA 0.055 nan 4.420 nan 0.000 0.245 112 P C -0.025 177.297 177.300 0.035 0.000 1.212 112 P CA 0.353 63.489 63.100 0.060 0.000 0.774 112 P CB 0.606 32.363 31.700 0.095 0.000 0.999 113 D N 0.182 120.606 120.400 0.040 0.000 2.451 113 D HA 0.110 4.756 4.640 0.011 0.000 0.259 113 D C 0.062 176.387 176.300 0.041 0.000 1.201 113 D CA 0.008 54.022 54.000 0.023 0.000 1.028 113 D CB 0.821 41.639 40.800 0.029 0.000 1.095 113 D HN -0.127 nan 8.370 nan 0.000 0.539 114 T N 1.686 116.244 114.554 0.008 0.000 2.891 114 T HA -0.063 4.294 4.350 0.011 0.000 0.296 114 T C 0.084 174.846 174.700 0.102 0.000 1.025 114 T CA 0.316 62.423 62.100 0.011 0.000 1.149 114 T CB 0.060 68.899 68.868 -0.048 0.000 1.007 114 T HN 0.349 nan 8.240 nan 0.000 0.528 115 D N 1.687 122.139 120.400 0.086 0.000 2.983 115 D HA -0.231 4.416 4.640 0.011 0.000 0.225 115 D C 1.150 177.530 176.300 0.132 0.000 1.174 115 D CA 1.783 55.857 54.000 0.123 0.000 0.831 115 D CB -1.437 39.467 40.800 0.174 0.000 1.104 115 D HN 1.206 nan 8.370 nan 0.000 0.421 116 G N -1.436 107.427 108.800 0.106 0.000 2.157 116 G HA2 -0.367 3.600 3.960 0.011 0.000 0.248 116 G HA3 -0.367 3.600 3.960 0.011 0.000 0.248 116 G C 0.188 175.108 174.900 0.033 0.000 0.979 116 G CA 0.283 45.414 45.100 0.052 0.000 0.650 116 G HN 0.426 nan 8.290 nan 0.000 0.529 117 Y N 1.378 121.664 120.300 -0.025 0.000 2.299 117 Y HA 0.457 5.013 4.550 0.011 0.000 0.335 117 Y C 1.148 177.019 175.900 -0.048 0.000 1.287 117 Y CA 0.021 58.097 58.100 -0.040 0.000 1.424 117 Y CB 0.502 38.932 38.460 -0.051 0.000 1.326 117 Y HN 0.108 nan 8.280 nan 0.000 0.567 118 D N 0.200 120.651 120.400 0.086 0.000 2.387 118 D HA 0.123 4.769 4.640 0.011 0.000 0.251 118 D C -0.609 175.674 176.300 -0.029 0.000 1.141 118 D CA -0.341 53.661 54.000 0.002 0.000 0.987 118 D CB 0.435 41.197 40.800 -0.062 0.000 1.116 118 D HN 0.414 nan 8.370 nan 0.000 0.491 119 N N 0.288 118.957 118.700 -0.052 0.000 2.530 119 N HA 0.201 4.948 4.740 0.011 0.000 0.277 119 N C 0.005 175.416 175.510 -0.166 0.000 1.168 119 N CA -0.261 52.747 53.050 -0.071 0.000 0.979 119 N CB 0.831 39.308 38.487 -0.018 0.000 1.141 119 N HN 0.259 nan 8.380 nan 0.000 0.459 120 L N 1.016 122.151 121.223 -0.146 0.000 2.453 120 L HA 0.380 4.727 4.340 0.011 0.000 0.261 120 L C 0.940 177.792 176.870 -0.030 0.000 1.179 120 L CA -0.593 54.146 54.840 -0.167 0.000 0.813 120 L CB 0.559 42.593 42.059 -0.041 0.000 1.110 120 L HN 0.505 nan 8.230 nan 0.000 0.466 121 A N 1.591 124.477 122.820 0.110 0.000 2.279 121 A HA 0.457 4.783 4.320 0.011 0.000 0.303 121 A C 0.057 177.708 177.584 0.113 0.000 1.108 121 A CA -0.332 51.789 52.037 0.141 0.000 0.830 121 A CB 1.164 20.304 19.000 0.234 0.000 1.106 121 A HN 0.656 nan 8.150 nan 0.000 0.493 122 S N -0.015 115.734 115.700 0.082 0.000 2.576 122 S HA 0.341 4.817 4.470 0.011 0.000 0.272 122 S C 1.119 175.733 174.600 0.024 0.000 1.352 122 S CA 0.156 58.382 58.200 0.043 0.000 1.021 122 S CB 0.706 63.909 63.200 0.005 0.000 0.887 122 S HN 1.560 nan 8.310 nan 0.000 0.542 123 A N 2.736 125.543 122.820 -0.021 0.000 2.267 123 A HA 0.293 4.619 4.320 0.011 0.000 0.213 123 A C 1.365 178.781 177.584 -0.280 0.000 1.192 123 A CA 0.343 52.316 52.037 -0.107 0.000 0.851 123 A CB -0.517 18.441 19.000 -0.069 0.000 0.881 123 A HN 1.004 nan 8.150 nan 0.000 0.494 124 I N -5.219 115.251 120.570 -0.167 0.000 3.817 124 I HA 0.431 4.608 4.170 0.011 0.000 0.325 124 I C 1.093 177.214 176.117 0.006 0.000 1.550 124 I CA 0.307 61.535 61.300 -0.121 0.000 1.100 124 I CB 0.239 38.203 38.000 -0.060 0.000 1.216 124 I HN -0.029 nan 8.210 nan 0.000 0.481 125 G N 1.461 110.238 108.800 -0.039 0.000 2.551 125 G HA2 0.326 4.293 3.960 0.011 0.000 0.216 125 G HA3 0.326 4.293 3.960 0.011 0.000 0.216 125 G C 0.788 175.592 174.900 -0.161 0.000 1.137 125 G CA 0.673 45.608 45.100 -0.275 0.000 0.798 125 G HN 0.549 nan 8.290 nan 0.000 0.536 126 A N 1.266 124.205 122.820 0.199 0.000 3.258 126 A HA 0.627 4.954 4.320 0.011 0.000 0.318 126 A C -2.687 175.158 177.584 0.434 0.000 0.990 126 A CA -1.128 51.120 52.037 0.353 0.000 0.885 126 A CB 0.959 20.181 19.000 0.371 0.000 1.090 126 A HN 0.133 nan 8.150 nan 0.000 0.479 127 P HA 0.393 nan 4.420 nan 0.000 0.276 127 P C -0.017 177.393 177.300 0.182 0.000 1.230 127 P CA 0.248 63.471 63.100 0.204 0.000 0.776 127 P CB 1.621 33.425 31.700 0.175 0.000 0.888 128 V N -0.047 119.910 119.914 0.071 0.000 3.112 128 V HA 0.897 5.023 4.120 0.011 0.000 0.310 128 V C -0.686 175.361 176.094 -0.078 0.000 1.364 128 V CA -0.900 61.441 62.300 0.068 0.000 1.058 128 V CB 1.608 33.488 31.823 0.096 0.000 1.079 128 V HN 0.695 nan 8.190 nan 0.000 0.463 129 T N -0.281 114.200 114.554 -0.121 0.000 2.916 129 T HA 0.782 5.138 4.350 0.011 0.000 0.298 129 T C -1.400 173.124 174.700 -0.294 0.000 1.031 129 T CA -0.444 61.555 62.100 -0.168 0.000 0.993 129 T CB 1.440 70.247 68.868 -0.101 0.000 1.045 129 T HN 0.804 nan 8.240 nan 0.000 0.454 130 L N 3.699 124.726 121.223 -0.326 0.000 2.301 130 L HA 0.545 4.892 4.340 0.011 0.000 0.278 130 L C 0.564 177.286 176.870 -0.246 0.000 1.022 130 L CA -0.023 54.560 54.840 -0.429 0.000 0.854 130 L CB 0.483 42.227 42.059 -0.526 0.000 1.226 130 L HN 0.994 nan 8.230 nan 0.000 0.429 131 N N 3.111 121.691 118.700 -0.199 0.000 2.756 131 N HA -0.185 4.561 4.740 0.011 0.000 0.248 131 N C 0.999 176.452 175.510 -0.094 0.000 1.062 131 N CA 1.363 54.339 53.050 -0.124 0.000 0.696 131 N CB -0.815 37.606 38.487 -0.110 0.000 0.946 131 N HN 1.041 nan 8.380 nan 0.000 0.548 132 G N -1.370 107.375 108.800 -0.092 0.000 2.234 132 G HA2 -0.342 3.625 3.960 0.011 0.000 0.260 132 G HA3 -0.342 3.625 3.960 0.011 0.000 0.260 132 G C -0.158 174.703 174.900 -0.066 0.000 0.987 132 G CA 0.559 45.620 45.100 -0.064 0.000 0.625 132 G HN 0.612 nan 8.290 nan 0.000 0.532 133 Q N 0.658 120.406 119.800 -0.087 0.000 2.368 133 Q HA 0.455 4.801 4.340 0.011 0.000 0.256 133 Q C 0.305 176.245 176.000 -0.100 0.000 0.980 133 Q CA -0.527 55.230 55.803 -0.077 0.000 0.887 133 Q CB 1.533 30.231 28.738 -0.067 0.000 1.221 133 Q HN 0.385 nan 8.270 nan 0.000 0.458 134 K N 1.713 122.060 120.400 -0.088 0.000 2.527 134 K HA 0.264 4.590 4.320 0.011 0.000 0.278 134 K C -0.936 175.572 176.600 -0.154 0.000 0.981 134 K CA 0.275 56.482 56.287 -0.133 0.000 1.009 134 K CB 0.344 32.769 32.500 -0.125 0.000 0.895 134 K HN 0.692 nan 8.250 nan 0.000 0.493 135 A N 3.638 126.319 122.820 -0.230 0.000 2.602 135 A HA 0.557 4.884 4.320 0.011 0.000 0.290 135 A C -2.083 175.359 177.584 -0.236 0.000 1.114 135 A CA -0.756 51.191 52.037 -0.149 0.000 0.683 135 A CB 0.831 19.800 19.000 -0.052 0.000 1.281 135 A HN 0.603 nan 8.150 nan 0.000 0.416 136 Y N -0.250 120.156 120.300 0.177 0.000 2.376 136 Y HA 0.595 5.152 4.550 0.013 0.000 0.340 136 Y C 0.919 176.922 175.900 0.171 0.000 0.965 136 Y CA 0.040 58.243 58.100 0.172 0.000 1.078 136 Y CB 2.384 40.918 38.460 0.124 0.000 1.193 136 Y HN 1.000 nan 8.280 nan 0.000 0.452 137 G N 0.788 109.844 108.800 0.426 0.000 2.613 137 G HA2 0.517 4.483 3.960 0.011 0.000 0.303 137 G HA3 0.517 4.483 3.960 0.011 0.000 0.303 137 G C -1.346 173.618 174.900 0.107 0.000 1.312 137 G CA -0.805 44.458 45.100 0.271 0.000 1.036 137 G HN 0.384 nan 8.290 nan 0.000 0.513 138 V N 0.783 120.707 119.914 0.016 0.000 2.288 138 V HA 0.230 4.357 4.120 0.011 0.000 0.266 138 V C -0.763 175.380 176.094 0.080 0.000 1.048 138 V CA -0.482 61.853 62.300 0.058 0.000 0.842 138 V CB 0.310 32.168 31.823 0.059 0.000 1.064 138 V HN 0.494 nan 8.190 nan 0.000 0.472 139 F N 6.335 126.268 119.950 -0.028 0.000 2.434 139 F HA 0.509 5.041 4.527 0.009 0.000 0.358 139 F C 0.393 176.183 175.800 -0.016 0.000 1.136 139 F CA -0.220 57.751 58.000 -0.049 0.000 1.157 139 F CB 0.554 39.467 39.000 -0.146 0.000 1.167 139 F HN 0.362 nan 8.300 nan 0.000 0.539 140 M N 6.225 125.715 119.600 -0.183 0.000 2.101 140 M HA 0.291 4.778 4.480 0.011 0.000 0.340 140 M C -0.078 176.059 176.300 -0.271 0.000 1.057 140 M CA -0.561 54.675 55.300 -0.106 0.000 0.984 140 M CB 1.480 34.107 32.600 0.045 0.000 1.560 140 M HN 0.564 nan 8.290 nan 0.000 0.435 141 S N 2.775 118.354 115.700 -0.202 0.000 2.672 141 S HA 0.643 5.120 4.470 0.011 0.000 0.276 141 S C -2.732 171.716 174.600 -0.253 0.000 1.207 141 S CA -1.664 56.301 58.200 -0.392 0.000 1.002 141 S CB 0.424 63.157 63.200 -0.778 0.000 0.998 141 S HN 0.360 nan 8.310 nan 0.000 0.542 142 P HA 0.231 nan 4.420 nan 0.000 0.261 142 P C 0.999 178.354 177.300 0.091 0.000 1.183 142 P CA 1.451 64.538 63.100 -0.022 0.000 0.761 142 P CB 0.039 31.772 31.700 0.054 0.000 0.785 143 G N 1.478 110.316 108.800 0.062 0.000 2.218 143 G HA2 -0.181 3.786 3.960 0.011 0.000 0.216 143 G HA3 -0.181 3.786 3.960 0.011 0.000 0.216 143 G C 0.304 175.222 174.900 0.029 0.000 0.994 143 G CA -0.123 45.024 45.100 0.078 0.000 0.637 143 G HN 0.577 nan 8.290 nan 0.000 0.505 144 T N 0.637 115.191 114.554 0.001 0.000 2.913 144 T HA 0.664 5.020 4.350 0.011 0.000 0.287 144 T C 0.442 175.091 174.700 -0.084 0.000 1.008 144 T CA 0.658 62.725 62.100 -0.055 0.000 1.067 144 T CB 1.744 70.594 68.868 -0.029 0.000 0.996 144 T HN 1.665 nan 8.240 nan 0.000 0.513 145 G N 0.837 109.499 108.800 -0.229 0.000 2.473 145 G HA2 0.495 4.461 3.960 0.011 0.000 0.298 145 G HA3 0.495 4.461 3.960 0.011 0.000 0.298 145 G C -2.301 172.349 174.900 -0.416 0.000 1.575 145 G CA -0.787 44.191 45.100 -0.204 0.000 0.846 145 G HN 0.527 nan 8.290 nan 0.000 0.585 146 Y N -0.016 120.229 120.300 -0.091 0.000 2.602 146 Y HA 0.914 5.471 4.550 0.011 0.000 0.342 146 Y C 0.577 176.413 175.900 -0.106 0.000 1.029 146 Y CA -0.855 57.188 58.100 -0.094 0.000 1.080 146 Y CB 2.873 41.245 38.460 -0.146 0.000 1.284 146 Y HN 0.790 nan 8.280 nan 0.000 0.485 147 R N 1.313 121.866 120.500 0.087 0.000 2.728 147 R HA 0.365 4.712 4.340 0.011 0.000 0.274 147 R C -2.355 173.961 176.300 0.027 0.000 1.032 147 R CA -0.698 55.409 56.100 0.012 0.000 0.866 147 R CB 1.650 31.940 30.300 -0.017 0.000 1.263 147 R HN 0.763 nan 8.270 nan 0.000 0.475 148 N N 1.861 120.562 118.700 0.002 0.000 2.571 148 N HA 0.185 4.932 4.740 0.011 0.000 0.286 148 N C -1.349 174.160 175.510 -0.002 0.000 1.138 148 N CA -0.355 52.706 53.050 0.018 0.000 0.859 148 N CB 1.323 39.828 38.487 0.029 0.000 1.414 148 N HN 0.618 nan 8.380 nan 0.000 0.529 149 N N 1.555 120.255 118.700 -0.000 0.000 2.322 149 N HA 0.025 4.772 4.740 0.011 0.000 0.194 149 N C -0.688 174.819 175.510 -0.006 0.000 1.126 149 N CA 0.401 53.444 53.050 -0.011 0.000 0.845 149 N CB 0.511 38.987 38.487 -0.019 0.000 0.976 149 N HN 0.685 nan 8.380 nan 0.000 0.475 150 E N -0.502 119.699 120.200 0.002 0.000 3.626 150 E HA 0.518 4.874 4.350 0.011 0.000 0.245 150 E C -0.937 175.662 176.600 -0.001 0.000 1.236 150 E CA -0.631 55.770 56.400 0.001 0.000 1.072 150 E CB 0.665 30.370 29.700 0.008 0.000 1.309 150 E HN -0.031 nan 8.360 nan 0.000 0.400 151 A N 1.245 124.061 122.820 -0.007 0.000 2.279 151 A HA 0.679 5.006 4.320 0.011 0.000 0.303 151 A C -0.019 177.558 177.584 -0.012 0.000 1.108 151 A CA -0.353 51.678 52.037 -0.010 0.000 0.830 151 A CB 1.195 20.190 19.000 -0.008 0.000 1.106 151 A HN 0.299 nan 8.150 nan 0.000 0.493 152 T N 0.127 114.672 114.554 -0.016 0.000 2.824 152 T HA 0.580 4.937 4.350 0.011 0.000 0.282 152 T C 0.987 175.681 174.700 -0.010 0.000 0.993 152 T CA 0.625 62.718 62.100 -0.012 0.000 0.967 152 T CB 1.421 70.281 68.868 -0.013 0.000 0.960 152 T HN 2.074 nan 8.240 nan 0.000 0.441 153 G N 2.663 111.459 108.800 -0.006 0.000 2.241 153 G HA2 -0.289 3.677 3.960 0.011 0.000 0.244 153 G HA3 -0.289 3.677 3.960 0.011 0.000 0.244 153 G C 0.461 175.356 174.900 -0.008 0.000 0.998 153 G CA 0.146 45.243 45.100 -0.004 0.000 0.621 153 G HN 1.122 nan 8.290 nan 0.000 0.519 154 T N 0.025 114.571 114.554 -0.013 0.000 2.926 154 T HA 0.647 5.004 4.350 0.011 0.000 0.307 154 T C 0.824 175.514 174.700 -0.016 0.000 1.059 154 T CA 0.529 62.617 62.100 -0.021 0.000 1.122 154 T CB 1.771 70.621 68.868 -0.029 0.000 0.972 154 T HN 1.810 nan 8.240 nan 0.000 0.545 155 A N 2.932 125.743 122.820 -0.016 0.000 2.498 155 A HA 0.535 4.861 4.320 0.011 0.000 0.239 155 A C 1.000 178.576 177.584 -0.014 0.000 1.068 155 A CA -0.115 51.917 52.037 -0.008 0.000 0.766 155 A CB -0.440 18.561 19.000 0.002 0.000 1.003 155 A HN 1.324 nan 8.150 nan 0.000 0.497 156 T N -0.868 113.679 114.554 -0.013 0.000 2.887 156 T HA 0.764 5.121 4.350 0.011 0.000 0.292 156 T C 0.776 175.461 174.700 -0.026 0.000 1.087 156 T CA 0.324 62.412 62.100 -0.020 0.000 1.009 156 T CB 1.146 70.006 68.868 -0.014 0.000 1.203 156 T HN 2.540 nan 8.240 nan 0.000 0.518 157 G N 1.615 110.389 108.800 -0.043 0.000 2.591 157 G HA2 -0.308 3.658 3.960 0.011 0.000 0.298 157 G HA3 -0.308 3.658 3.960 0.011 0.000 0.298 157 G C 0.216 175.085 174.900 -0.053 0.000 1.195 157 G CA 0.862 45.929 45.100 -0.055 0.000 0.989 157 G HN 1.097 nan 8.290 nan 0.000 0.551 158 D N 1.859 122.238 120.400 -0.034 0.000 2.463 158 D HA 0.316 4.963 4.640 0.011 0.000 0.224 158 D C 0.634 176.935 176.300 0.001 0.000 1.174 158 D CA 0.192 54.180 54.000 -0.020 0.000 0.829 158 D CB -0.087 40.700 40.800 -0.021 0.000 0.993 158 D HN 0.550 nan 8.370 nan 0.000 0.497 159 E N 0.450 120.652 120.200 0.003 0.000 2.392 159 E HA 0.365 4.722 4.350 0.011 0.000 0.264 159 E C 0.062 176.689 176.600 0.044 0.000 1.024 159 E CA -0.365 56.047 56.400 0.019 0.000 0.903 159 E CB 1.054 30.762 29.700 0.013 0.000 0.963 159 E HN 0.226 nan 8.360 nan 0.000 0.432 160 A N 3.341 126.203 122.820 0.068 0.000 2.407 160 A HA 0.250 4.577 4.320 0.011 0.000 0.248 160 A C 0.141 177.795 177.584 0.116 0.000 1.082 160 A CA -0.035 52.082 52.037 0.134 0.000 0.785 160 A CB 0.289 19.393 19.000 0.174 0.000 1.020 160 A HN 0.750 nan 8.150 nan 0.000 0.489 161 E N 0.263 120.548 120.200 0.141 0.000 2.437 161 E HA 0.645 5.002 4.350 0.011 0.000 0.280 161 E C -0.442 176.175 176.600 0.029 0.000 1.044 161 E CA -0.708 55.726 56.400 0.057 0.000 0.826 161 E CB 1.179 30.892 29.700 0.021 0.000 1.358 161 E HN 1.004 nan 8.360 nan 0.000 0.459 162 G N 0.650 109.425 108.800 -0.042 0.000 2.680 162 G HA2 0.756 4.723 3.960 0.011 0.000 0.290 162 G HA3 0.756 4.723 3.960 0.011 0.000 0.290 162 G C -0.651 174.216 174.900 -0.055 0.000 1.355 162 G CA -0.773 44.290 45.100 -0.061 0.000 0.903 162 G HN 0.742 nan 8.290 nan 0.000 0.474 163 M N -0.626 118.998 119.600 0.041 0.000 2.895 163 M HA 0.732 5.219 4.480 0.011 0.000 0.271 163 M C -1.844 174.638 176.300 0.302 0.000 1.174 163 M CA -1.107 54.257 55.300 0.106 0.000 0.816 163 M CB 2.302 34.924 32.600 0.037 0.000 1.647 163 M HN 1.219 nan 8.290 nan 0.000 0.506 164 Y N -0.919 119.528 120.300 0.244 0.000 2.702 164 Y HA 0.920 5.476 4.550 0.011 0.000 0.336 164 Y C -2.390 173.682 175.900 0.286 0.000 1.203 164 Y CA -0.445 57.800 58.100 0.243 0.000 1.072 164 Y CB 0.840 39.424 38.460 0.207 0.000 1.327 164 Y HN 1.365 nan 8.280 nan 0.000 0.456 165 A N 1.312 124.221 122.820 0.149 0.000 2.589 165 A HA 0.671 4.998 4.320 0.011 0.000 0.296 165 A C -2.278 175.363 177.584 0.096 0.000 1.062 165 A CA -0.663 51.325 52.037 -0.081 0.000 0.686 165 A CB 1.525 20.564 19.000 0.064 0.000 1.282 165 A HN 1.023 nan 8.150 nan 0.000 0.404 166 V N 3.165 123.045 119.914 -0.057 0.000 2.333 166 V HA 0.480 4.606 4.120 0.011 0.000 0.274 166 V C -0.122 176.032 176.094 0.101 0.000 1.028 166 V CA 0.093 62.400 62.300 0.011 0.000 0.851 166 V CB 0.317 32.032 31.823 -0.179 0.000 1.000 166 V HN 0.706 nan 8.190 nan 0.000 0.456 167 L N 2.906 124.244 121.223 0.193 0.000 2.260 167 L HA 0.687 5.034 4.340 0.011 0.000 0.265 167 L C -0.339 176.695 176.870 0.275 0.000 1.015 167 L CA -0.928 54.038 54.840 0.210 0.000 0.826 167 L CB 1.558 43.728 42.059 0.184 0.000 1.373 167 L HN 0.383 nan 8.230 nan 0.000 0.450 168 D N 0.063 120.559 120.400 0.161 0.000 2.359 168 D HA 0.210 4.856 4.640 0.011 0.000 0.230 168 D C 0.819 177.161 176.300 0.070 0.000 1.118 168 D CA -0.276 53.806 54.000 0.135 0.000 0.844 168 D CB 1.909 42.793 40.800 0.140 0.000 1.059 168 D HN 0.626 nan 8.370 nan 0.000 0.493 169 G N 2.314 111.151 108.800 0.062 0.000 2.679 169 G HA2 -0.153 3.814 3.960 0.011 0.000 0.212 169 G HA3 -0.153 3.814 3.960 0.011 0.000 0.212 169 G C 1.160 176.118 174.900 0.095 0.000 1.137 169 G CA 1.033 46.149 45.100 0.026 0.000 0.787 169 G HN 0.567 nan 8.290 nan 0.000 0.534 170 T N -3.927 110.726 114.554 0.164 0.000 3.054 170 T HA 0.228 4.585 4.350 0.011 0.000 0.255 170 T C 0.360 175.239 174.700 0.300 0.000 1.035 170 T CA -0.366 61.878 62.100 0.241 0.000 0.941 170 T CB -0.113 68.829 68.868 0.124 0.000 1.026 170 T HN 0.360 nan 8.240 nan 0.000 0.533 171 H N 0.609 119.763 119.070 0.140 0.000 2.762 171 H HA 0.530 5.092 4.556 0.010 0.000 0.310 171 H C -1.417 173.833 175.328 -0.130 0.000 1.004 171 H CA -1.112 54.901 56.048 -0.059 0.000 1.267 171 H CB 0.654 30.282 29.762 -0.223 0.000 1.437 171 H HN 0.468 nan 8.280 nan 0.000 0.498 172 Y N 2.599 122.761 120.300 -0.230 0.000 2.851 172 Y HA 0.277 4.833 4.550 0.010 0.000 0.359 172 Y C -1.939 173.852 175.900 -0.182 0.000 1.231 172 Y CA -1.183 56.697 58.100 -0.367 0.000 1.106 172 Y CB 0.432 38.710 38.460 -0.304 0.000 1.409 172 Y HN 0.634 nan 8.280 nan 0.000 0.454 173 N N -0.904 117.761 118.700 -0.059 0.000 3.506 173 N HA 0.364 5.111 4.740 0.011 0.000 0.331 173 N C -1.082 174.529 175.510 0.168 0.000 1.631 173 N CA -0.256 52.775 53.050 -0.031 0.000 0.786 173 N CB 0.373 38.816 38.487 -0.074 0.000 2.023 173 N HN 0.711 nan 8.380 nan 0.000 0.621 174 D N -1.863 118.615 120.400 0.131 0.000 2.440 174 D HA 0.452 5.099 4.640 0.011 0.000 0.216 174 D C -0.144 176.265 176.300 0.182 0.000 1.150 174 D CA -0.422 53.694 54.000 0.194 0.000 0.832 174 D CB -0.040 40.839 40.800 0.132 0.000 0.992 174 D HN 0.708 nan 8.370 nan 0.000 0.502 175 A N -0.114 122.796 122.820 0.150 0.000 2.293 175 A HA 0.515 4.841 4.320 0.011 0.000 0.302 175 A C 0.064 177.782 177.584 0.224 0.000 1.119 175 A CA -0.791 51.325 52.037 0.131 0.000 0.823 175 A CB 0.908 19.942 19.000 0.057 0.000 1.097 175 A HN 0.444 nan 8.150 nan 0.000 0.491 176 C N 1.391 120.823 119.300 0.220 0.000 2.514 176 C HA 0.626 5.093 4.460 0.011 0.000 0.392 176 C C -0.138 174.939 174.990 0.146 0.000 1.294 176 C CA -0.192 58.984 59.018 0.263 0.000 1.957 176 C CB -1.822 26.104 27.740 0.311 0.000 2.541 176 C HN 0.754 nan 8.230 nan 0.000 0.569 177 C N 5.818 125.222 119.300 0.173 0.000 2.811 177 C HA 0.340 4.807 4.460 0.011 0.000 0.352 177 C C -0.751 174.392 174.990 0.255 0.000 1.098 177 C CA -0.673 58.538 59.018 0.320 0.000 1.295 177 C CB 0.957 28.818 27.740 0.201 0.000 1.758 177 C HN 0.865 nan 8.230 nan 0.000 0.488 178 F N 4.320 124.318 119.950 0.080 0.000 2.406 178 F HA 0.422 4.956 4.527 0.011 0.000 0.358 178 F C 0.078 175.845 175.800 -0.055 0.000 1.161 178 F CA 0.334 58.278 58.000 -0.094 0.000 1.185 178 F CB -0.178 38.674 39.000 -0.246 0.000 1.421 178 F HN 0.561 nan 8.300 nan 0.000 0.576 179 D N 3.486 123.662 120.400 -0.373 0.000 2.392 179 D HA 0.330 4.976 4.640 0.011 0.000 0.246 179 D C -1.652 174.470 176.300 -0.295 0.000 1.013 179 D CA -0.119 53.749 54.000 -0.220 0.000 0.993 179 D CB 1.570 42.332 40.800 -0.065 0.000 1.219 179 D HN 0.383 nan 8.370 nan 0.000 0.538 180 Y N -0.348 119.801 120.300 -0.252 0.000 2.287 180 Y HA 0.500 5.057 4.550 0.012 0.000 0.321 180 Y C -0.356 175.480 175.900 -0.107 0.000 1.173 180 Y CA -0.164 57.796 58.100 -0.234 0.000 1.124 180 Y CB 0.900 39.247 38.460 -0.189 0.000 1.201 180 Y HN 0.596 nan 8.280 nan 0.000 0.421 181 G N 4.029 112.456 108.800 -0.621 0.000 2.368 181 G HA2 0.007 3.974 3.960 0.011 0.000 0.269 181 G HA3 0.007 3.974 3.960 0.011 0.000 0.269 181 G C -1.698 173.025 174.900 -0.294 0.000 1.291 181 G CA -1.202 43.612 45.100 -0.477 0.000 0.903 181 G HN 0.561 nan 8.290 nan 0.000 0.483 182 N N 1.213 119.804 118.700 -0.181 0.000 2.475 182 N HA 0.588 5.335 4.740 0.011 0.000 0.267 182 N C 0.112 175.569 175.510 -0.087 0.000 1.169 182 N CA 0.932 53.913 53.050 -0.116 0.000 0.947 182 N CB 1.237 39.678 38.487 -0.076 0.000 1.061 182 N HN 1.066 nan 8.380 nan 0.000 0.466 183 A N 2.838 125.614 122.820 -0.073 0.000 2.552 183 A HA 0.530 4.857 4.320 0.011 0.000 0.288 183 A C -0.930 176.637 177.584 -0.029 0.000 1.193 183 A CA -0.659 51.347 52.037 -0.052 0.000 0.713 183 A CB 0.715 19.674 19.000 -0.069 0.000 1.305 183 A HN 0.596 nan 8.150 nan 0.000 0.424 184 E N 0.388 120.575 120.200 -0.022 0.000 2.354 184 E HA 0.337 4.694 4.350 0.011 0.000 0.269 184 E C 1.033 177.616 176.600 -0.029 0.000 1.036 184 E CA 0.568 56.960 56.400 -0.014 0.000 0.876 184 E CB 0.650 30.330 29.700 -0.033 0.000 1.009 184 E HN 0.653 nan 8.360 nan 0.000 0.416 185 T N -1.795 112.746 114.554 -0.021 0.000 3.118 185 T HA -0.109 4.248 4.350 0.011 0.000 0.260 185 T C 1.380 176.058 174.700 -0.037 0.000 1.139 185 T CA 0.748 62.833 62.100 -0.026 0.000 1.085 185 T CB -0.095 68.763 68.868 -0.016 0.000 0.934 185 T HN 0.363 nan 8.240 nan 0.000 0.518 186 S N 0.171 115.843 115.700 -0.048 0.000 2.511 186 S HA 0.284 4.760 4.470 0.011 0.000 0.214 186 S C 1.069 175.626 174.600 -0.071 0.000 0.997 186 S CA 0.217 58.382 58.200 -0.060 0.000 0.908 186 S CB -0.256 62.903 63.200 -0.069 0.000 0.803 186 S HN 0.413 nan 8.310 nan 0.000 0.504 187 S N 0.823 116.483 115.700 -0.067 0.000 3.361 187 S HA -0.131 4.346 4.470 0.011 0.000 0.288 187 S C 0.321 174.874 174.600 -0.077 0.000 1.269 187 S CA 1.051 59.210 58.200 -0.070 0.000 0.976 187 S CB -2.532 60.619 63.200 -0.081 0.000 1.162 187 S HN 1.162 nan 8.310 nan 0.000 0.643 188 T N -1.357 113.143 114.554 -0.089 0.000 2.924 188 T HA 0.616 4.973 4.350 0.011 0.000 0.291 188 T C -0.901 173.732 174.700 -0.111 0.000 1.045 188 T CA -0.795 61.239 62.100 -0.110 0.000 1.015 188 T CB 1.873 70.667 68.868 -0.124 0.000 1.103 188 T HN -0.005 nan 8.240 nan 0.000 0.496 189 D N 1.726 122.057 120.400 -0.116 0.000 2.435 189 D HA 0.165 4.811 4.640 0.011 0.000 0.230 189 D C 1.363 177.570 176.300 -0.155 0.000 1.215 189 D CA -0.295 53.639 54.000 -0.109 0.000 0.947 189 D CB 0.277 41.029 40.800 -0.080 0.000 1.048 189 D HN 0.686 nan 8.370 nan 0.000 0.512 190 T N 0.799 115.214 114.554 -0.230 0.000 3.272 190 T HA 0.470 4.827 4.350 0.011 0.000 0.250 190 T C 0.933 175.350 174.700 -0.472 0.000 1.082 190 T CA -0.039 61.824 62.100 -0.395 0.000 0.968 190 T CB -0.342 68.184 68.868 -0.570 0.000 1.015 190 T HN 0.538 nan 8.240 nan 0.000 0.563 191 G N 0.572 109.250 108.800 -0.204 0.000 2.515 191 G HA2 0.386 4.353 3.960 0.011 0.000 0.686 191 G HA3 0.386 4.353 3.960 0.011 0.000 0.686 191 G C -0.252 174.702 174.900 0.091 0.000 1.274 191 G CA -0.684 44.386 45.100 -0.051 0.000 0.874 191 G HN 0.936 nan 8.290 nan 0.000 0.631 192 A N -0.142 122.658 122.820 -0.033 0.000 2.567 192 A HA 0.616 4.943 4.320 0.011 0.000 0.240 192 A C 2.069 179.522 177.584 -0.219 0.000 1.053 192 A CA 2.555 54.467 52.037 -0.209 0.000 0.755 192 A CB -0.176 18.450 19.000 -0.624 0.000 0.978 192 A HN 2.990 nan 8.150 nan 0.000 0.507 193 G N 1.084 109.815 108.800 -0.116 0.000 2.195 193 G HA2 -0.218 3.748 3.960 0.011 0.000 0.246 193 G HA3 -0.218 3.748 3.960 0.011 0.000 0.246 193 G C 0.520 175.315 174.900 -0.174 0.000 0.984 193 G CA 0.515 45.543 45.100 -0.121 0.000 0.633 193 G HN 0.992 nan 8.290 nan 0.000 0.525 194 H N -0.052 118.985 119.070 -0.054 0.000 2.567 194 H HA 0.470 5.032 4.556 0.011 0.000 0.294 194 H C 1.057 176.357 175.328 -0.046 0.000 1.050 194 H CA 0.876 56.894 56.048 -0.051 0.000 1.168 194 H CB 0.033 29.758 29.762 -0.061 0.000 1.422 194 H HN 0.388 nan 8.280 nan 0.000 0.562 195 M N 0.030 119.647 119.600 0.028 0.000 2.603 195 M HA 0.200 4.687 4.480 0.011 0.000 0.275 195 M C -1.183 175.108 176.300 -0.016 0.000 1.226 195 M CA -0.457 54.841 55.300 -0.004 0.000 0.870 195 M CB 3.911 36.498 32.600 -0.021 0.000 1.716 195 M HN 0.001 nan 8.290 nan 0.000 0.482 196 E N 1.445 121.627 120.200 -0.031 0.000 2.639 196 E HA 0.614 4.971 4.350 0.011 0.000 0.378 196 E C -2.173 174.409 176.600 -0.029 0.000 1.002 196 E CA -0.227 56.160 56.400 -0.023 0.000 0.747 196 E CB 1.289 30.985 29.700 -0.007 0.000 1.571 196 E HN 0.778 nan 8.360 nan 0.000 0.382 197 A N 3.706 126.517 122.820 -0.016 0.000 2.594 197 A HA 0.662 4.989 4.320 0.011 0.000 0.291 197 A C -0.813 176.813 177.584 0.069 0.000 1.105 197 A CA -0.741 51.285 52.037 -0.018 0.000 0.694 197 A CB 0.976 19.933 19.000 -0.072 0.000 1.291 197 A HN 0.507 nan 8.150 nan 0.000 0.410 198 I N 1.032 121.660 120.570 0.097 0.000 2.634 198 I HA 0.246 4.423 4.170 0.011 0.000 0.284 198 I C -0.451 175.791 176.117 0.208 0.000 1.124 198 I CA 0.386 61.800 61.300 0.189 0.000 1.417 198 I CB 0.600 38.738 38.000 0.231 0.000 1.396 198 I HN 0.689 nan 8.210 nan 0.000 0.571 199 Y N 6.991 127.376 120.300 0.142 0.000 2.457 199 Y HA 0.653 5.210 4.550 0.012 0.000 0.343 199 Y C -1.777 174.257 175.900 0.223 0.000 0.994 199 Y CA -1.158 57.033 58.100 0.152 0.000 1.031 199 Y CB 1.619 40.151 38.460 0.120 0.000 1.246 199 Y HN 0.437 nan 8.280 nan 0.000 0.449 200 L N 5.982 126.864 121.223 -0.568 0.000 2.482 200 L HA 0.955 5.302 4.340 0.011 0.000 0.269 200 L C -0.724 175.789 176.870 -0.595 0.000 0.967 200 L CA 0.269 54.915 54.840 -0.323 0.000 0.851 200 L CB 1.623 43.670 42.059 -0.021 0.000 1.242 200 L HN 0.919 nan 8.230 nan 0.000 0.404 201 G N 3.018 111.612 108.800 -0.344 0.000 2.321 201 G HA2 0.151 4.117 3.960 0.011 0.000 0.296 201 G HA3 0.151 4.117 3.960 0.011 0.000 0.296 201 G C -1.173 173.803 174.900 0.128 0.000 1.287 201 G CA -0.079 44.967 45.100 -0.090 0.000 0.846 201 G HN 0.734 nan 8.290 nan 0.000 0.508 202 N N -0.431 118.387 118.700 0.195 0.000 2.401 202 N HA 0.164 4.911 4.740 0.011 0.000 0.264 202 N C 0.439 176.203 175.510 0.423 0.000 1.238 202 N CA 0.402 53.496 53.050 0.073 0.000 0.889 202 N CB 0.982 39.343 38.487 -0.209 0.000 1.196 202 N HN 0.670 nan 8.380 nan 0.000 0.511 203 S N 0.646 116.652 115.700 0.510 0.000 2.568 203 S HA 0.118 4.594 4.470 0.011 0.000 0.282 203 S C 1.023 175.814 174.600 0.319 0.000 1.338 203 S CA 0.549 58.957 58.200 0.347 0.000 1.045 203 S CB 0.566 63.985 63.200 0.365 0.000 0.873 203 S HN 0.453 nan 8.310 nan 0.000 0.516 204 T N 0.092 114.680 114.554 0.058 0.000 3.111 204 T HA 0.191 4.548 4.350 0.011 0.000 0.284 204 T C 1.248 175.798 174.700 -0.249 0.000 0.983 204 T CA 0.095 62.097 62.100 -0.164 0.000 0.900 204 T CB -0.345 68.228 68.868 -0.492 0.000 1.132 204 T HN 0.557 nan 8.240 nan 0.000 0.531 205 T N 1.135 115.491 114.554 -0.331 0.000 2.881 205 T HA 0.017 4.373 4.350 0.011 0.000 0.270 205 T C 0.673 174.850 174.700 -0.871 0.000 1.068 205 T CA 0.985 62.654 62.100 -0.719 0.000 1.131 205 T CB -0.103 68.039 68.868 -1.210 0.000 0.871 205 T HN 0.538 nan 8.240 nan 0.000 0.479 206 W N 0.143 121.381 121.300 -0.104 0.000 4.473 206 W HA 0.540 5.206 4.660 0.010 0.000 0.444 206 W C 1.240 177.695 176.519 -0.107 0.000 3.452 206 W CA -0.486 56.759 57.345 -0.167 0.000 1.169 206 W CB -0.705 28.584 29.460 -0.286 0.000 2.119 206 W HN 0.092 nan 8.180 nan 0.000 0.355 207 G N -0.048 108.821 108.800 0.115 0.000 2.522 207 G HA2 0.547 4.513 3.960 0.011 0.000 0.304 207 G HA3 0.547 4.513 3.960 0.011 0.000 0.304 207 G C -1.852 173.128 174.900 0.133 0.000 1.210 207 G CA -0.191 44.928 45.100 0.032 0.000 0.960 207 G HN 0.385 nan 8.290 nan 0.000 0.497 208 Y N -3.132 116.982 120.300 -0.310 0.000 2.661 208 Y HA 0.587 5.143 4.550 0.010 0.000 0.339 208 Y C 0.119 175.443 175.900 -0.960 0.000 1.186 208 Y CA -0.921 56.692 58.100 -0.813 0.000 1.137 208 Y CB 0.368 38.317 38.460 -0.851 0.000 1.354 208 Y HN 0.962 nan 8.280 nan 0.000 0.469 209 G N 0.765 108.483 108.800 -1.803 0.000 2.940 209 G HA2 0.711 4.678 3.960 0.011 0.000 0.164 209 G HA3 0.711 4.678 3.960 0.011 0.000 0.164 209 G C -0.780 173.872 174.900 -0.413 0.000 1.326 209 G CA -0.637 43.822 45.100 -1.068 0.000 1.020 209 G HN 1.165 nan 8.290 nan 0.000 0.586 210 A N -1.747 121.092 122.820 0.032 0.000 2.322 210 A HA 0.718 5.045 4.320 0.011 0.000 0.269 210 A C 1.010 178.942 177.584 0.581 0.000 1.094 210 A CA 0.925 53.163 52.037 0.336 0.000 0.807 210 A CB -0.177 18.929 19.000 0.176 0.000 1.047 210 A HN 2.591 nan 8.150 nan 0.000 0.487 211 G N 0.806 109.861 108.800 0.426 0.000 2.632 211 G HA2 -0.172 3.794 3.960 0.011 0.000 0.224 211 G HA3 -0.172 3.794 3.960 0.011 0.000 0.224 211 G C 0.031 175.158 174.900 0.378 0.000 1.341 211 G CA 0.274 45.570 45.100 0.327 0.000 0.880 211 G HN 0.701 nan 8.290 nan 0.000 0.566 212 D N 1.484 121.963 120.400 0.132 0.000 2.333 212 D HA 0.385 5.032 4.640 0.011 0.000 0.208 212 D C 1.591 177.705 176.300 -0.311 0.000 0.984 212 D CA 2.246 56.262 54.000 0.026 0.000 0.873 212 D CB 0.201 40.996 40.800 -0.007 0.000 0.935 212 D HN 1.878 nan 8.370 nan 0.000 0.521 213 G N 1.474 109.899 108.800 -0.625 0.000 2.566 213 G HA2 -0.134 3.832 3.960 0.011 0.000 0.599 213 G HA3 -0.134 3.832 3.960 0.011 0.000 0.599 213 G C -2.804 171.584 174.900 -0.853 0.000 1.292 213 G CA -0.788 43.459 45.100 -1.421 0.000 0.922 213 G HN -0.035 nan 8.290 nan 0.000 0.514 214 P HA 0.467 nan 4.420 nan 0.000 0.276 214 P C -0.581 176.237 177.300 -0.804 0.000 1.261 214 P CA -0.236 62.194 63.100 -1.116 0.000 0.800 214 P CB 0.698 31.637 31.700 -1.269 0.000 1.066 215 W N 0.077 121.367 121.300 -0.017 0.000 2.761 215 W HA 0.455 5.122 4.660 0.012 0.000 0.340 215 W C -0.201 176.419 176.519 0.168 0.000 1.072 215 W CA -0.647 56.742 57.345 0.073 0.000 1.215 215 W CB 1.319 30.859 29.460 0.132 0.000 1.420 215 W HN 0.141 nan 8.180 nan 0.000 0.519 216 I N 3.629 124.449 120.570 0.417 0.000 2.337 216 I HA 0.199 4.376 4.170 0.011 0.000 0.291 216 I C 0.275 176.661 176.117 0.448 0.000 1.046 216 I CA 0.170 61.708 61.300 0.397 0.000 1.324 216 I CB 0.327 38.560 38.000 0.388 0.000 1.409 216 I HN 0.160 nan 8.210 nan 0.000 0.494 217 M N 5.523 125.413 119.600 0.484 0.000 2.755 217 M HA 0.563 5.049 4.480 0.011 0.000 0.298 217 M C -1.016 175.491 176.300 0.344 0.000 1.251 217 M CA -1.062 54.478 55.300 0.401 0.000 0.817 217 M CB 2.680 35.467 32.600 0.312 0.000 1.760 217 M HN 0.079 nan 8.290 nan 0.000 0.473 218 V N 0.781 120.847 119.914 0.254 0.000 2.357 218 V HA 0.217 4.343 4.120 0.011 0.000 0.284 218 V C -0.780 175.316 176.094 0.003 0.000 1.018 218 V CA -0.689 61.702 62.300 0.152 0.000 0.841 218 V CB 1.393 33.296 31.823 0.134 0.000 0.991 218 V HN 0.673 nan 8.190 nan 0.000 0.437 219 D N 5.210 125.605 120.400 -0.009 0.000 2.336 219 D HA 0.283 4.930 4.640 0.011 0.000 0.249 219 D C 0.413 176.657 176.300 -0.094 0.000 1.213 219 D CA 0.016 53.946 54.000 -0.118 0.000 0.870 219 D CB 1.235 41.978 40.800 -0.095 0.000 1.076 219 D HN 0.488 nan 8.370 nan 0.000 0.483 220 M N 2.457 121.999 119.600 -0.097 0.000 2.484 220 M HA 0.321 4.807 4.480 0.011 0.000 0.307 220 M C 0.162 176.534 176.300 0.120 0.000 1.149 220 M CA -0.364 54.958 55.300 0.036 0.000 0.972 220 M CB 0.433 33.094 32.600 0.101 0.000 1.400 220 M HN 0.506 nan 8.290 nan 0.000 0.508 221 A N 1.419 124.212 122.820 -0.046 0.000 2.434 221 A HA -0.113 4.214 4.320 0.011 0.000 0.686 221 A C 0.359 177.895 177.584 -0.080 0.000 0.138 221 A CA 0.008 52.004 52.037 -0.067 0.000 0.027 221 A CB -1.499 17.516 19.000 0.026 0.000 3.973 221 A HN 0.748 nan 8.150 nan 0.000 0.548 222 N N -0.022 118.530 118.700 -0.247 0.000 2.747 222 N HA -0.202 4.544 4.740 0.011 0.000 0.249 222 N C -0.367 174.914 175.510 -0.381 0.000 1.107 222 N CA 2.063 54.974 53.050 -0.232 0.000 0.707 222 N CB -1.572 36.906 38.487 -0.015 0.000 1.054 222 N HN 1.210 nan 8.380 nan 0.000 0.555 223 N N -0.949 117.296 118.700 -0.758 0.000 4.711 223 N HA 0.173 4.919 4.740 0.011 0.000 0.175 223 N C -1.612 173.374 175.510 -0.873 0.000 1.031 223 N CA -0.534 51.990 53.050 -0.877 0.000 1.143 223 N CB 0.945 38.795 38.487 -1.061 0.000 1.585 223 N HN -0.043 nan 8.380 nan 0.000 0.817 224 L N 3.091 123.891 121.223 -0.706 0.000 2.276 224 L HA 0.553 4.899 4.340 0.011 0.000 0.286 224 L C -0.961 175.653 176.870 -0.426 0.000 1.024 224 L CA -0.505 54.046 54.840 -0.482 0.000 0.826 224 L CB 0.403 42.200 42.059 -0.437 0.000 1.211 224 L HN 0.386 nan 8.230 nan 0.000 0.422 225 F N 1.053 120.872 119.950 -0.219 0.000 2.404 225 F HA 0.176 4.710 4.527 0.010 0.000 0.345 225 F C 1.335 177.146 175.800 0.019 0.000 1.110 225 F CA -0.254 57.636 58.000 -0.183 0.000 1.130 225 F CB 1.832 40.571 39.000 -0.436 0.000 1.129 225 F HN 0.492 nan 8.300 nan 0.000 0.500 226 S N 0.398 116.216 115.700 0.198 0.000 2.539 226 S HA 0.658 5.134 4.470 0.011 0.000 0.221 226 S C 0.481 175.123 174.600 0.069 0.000 0.987 226 S CA 0.134 58.402 58.200 0.113 0.000 0.929 226 S CB -0.014 63.117 63.200 -0.115 0.000 0.832 226 S HN 0.969 nan 8.310 nan 0.000 0.492 227 G N 0.139 108.999 108.800 0.100 0.000 2.335 227 G HA2 0.511 4.478 3.960 0.011 0.000 0.291 227 G HA3 0.511 4.478 3.960 0.011 0.000 0.291 227 G C 0.476 175.249 174.900 -0.212 0.000 1.261 227 G CA -0.131 44.820 45.100 -0.249 0.000 0.871 227 G HN 0.461 nan 8.290 nan 0.000 0.491 228 A N -0.857 121.817 122.820 -0.244 0.000 1.902 228 A HA 0.174 4.501 4.320 0.011 0.000 0.217 228 A C 0.901 178.532 177.584 0.079 0.000 1.181 228 A CA 2.087 54.102 52.037 -0.037 0.000 0.623 228 A CB -0.507 18.562 19.000 0.115 0.000 0.818 228 A HN 0.531 nan 8.150 nan 0.000 0.443 229 D N -0.135 120.347 120.400 0.136 0.000 2.294 229 D HA 0.380 5.027 4.640 0.011 0.000 0.250 229 D C -0.138 176.348 176.300 0.310 0.000 1.058 229 D CA -0.340 53.824 54.000 0.273 0.000 0.950 229 D CB 0.603 41.503 40.800 0.167 0.000 1.158 229 D HN 0.381 nan 8.370 nan 0.000 0.453 230 E N -0.305 120.061 120.200 0.277 0.000 2.390 230 E HA 0.380 4.737 4.350 0.011 0.000 0.261 230 E C 0.862 177.471 176.600 0.015 0.000 1.076 230 E CA 0.115 56.524 56.400 0.016 0.000 0.905 230 E CB 0.718 30.243 29.700 -0.291 0.000 0.984 230 E HN 0.581 nan 8.360 nan 0.000 0.427 231 G N 1.658 110.436 108.800 -0.035 0.000 2.514 231 G HA2 -0.356 3.611 3.960 0.011 0.000 0.265 231 G HA3 -0.356 3.611 3.960 0.011 0.000 0.265 231 G C -0.726 174.083 174.900 -0.152 0.000 1.150 231 G CA 0.226 45.338 45.100 0.020 0.000 0.959 231 G HN 0.577 nan 8.290 nan 0.000 0.556 232 Y N 3.574 123.601 120.300 -0.454 0.000 2.411 232 Y HA 0.534 5.090 4.550 0.010 0.000 0.333 232 Y C 0.348 176.006 175.900 -0.403 0.000 1.186 232 Y CA 0.126 57.744 58.100 -0.802 0.000 1.381 232 Y CB 0.559 38.572 38.460 -0.745 0.000 1.273 232 Y HN 0.537 nan 8.280 nan 0.000 0.546 233 N N 3.139 121.158 118.700 -1.134 0.000 2.572 233 N HA 0.038 4.785 4.740 0.011 0.000 0.287 233 N C -0.093 174.806 175.510 -1.019 0.000 1.136 233 N CA 0.123 52.698 53.050 -0.792 0.000 0.900 233 N CB 1.805 40.072 38.487 -0.368 0.000 1.484 233 N HN 0.707 nan 8.380 nan 0.000 0.526 234 S N -0.220 114.914 115.700 -0.943 0.000 2.474 234 S HA -0.066 4.411 4.470 0.011 0.000 0.235 234 S C 1.743 176.190 174.600 -0.256 0.000 0.997 234 S CA 0.979 58.847 58.200 -0.553 0.000 0.949 234 S CB -0.081 62.990 63.200 -0.214 0.000 0.766 234 S HN 0.600 nan 8.310 nan 0.000 0.517 235 G N 0.727 109.406 108.800 -0.202 0.000 2.598 235 G HA2 0.001 3.968 3.960 0.011 0.000 0.215 235 G HA3 0.001 3.968 3.960 0.011 0.000 0.215 235 G C 0.022 174.873 174.900 -0.082 0.000 1.131 235 G CA 0.192 45.245 45.100 -0.078 0.000 0.785 235 G HN 0.495 nan 8.290 nan 0.000 0.539 236 D N 1.044 121.350 120.400 -0.156 0.000 2.396 236 D HA 0.335 4.982 4.640 0.011 0.000 0.225 236 D C -2.106 174.101 176.300 -0.154 0.000 1.121 236 D CA -2.242 51.661 54.000 -0.161 0.000 0.853 236 D CB 1.979 42.732 40.800 -0.080 0.000 1.043 236 D HN 0.078 nan 8.370 nan 0.000 0.500 237 P HA 0.161 nan 4.420 nan 0.000 0.278 237 P C -0.499 176.840 177.300 0.065 0.000 1.258 237 P CA -0.623 62.404 63.100 -0.121 0.000 0.811 237 P CB 0.942 32.475 31.700 -0.279 0.000 1.063 238 S N 0.919 116.671 115.700 0.086 0.000 2.549 238 S HA 0.302 4.779 4.470 0.011 0.000 0.279 238 S C 0.418 174.909 174.600 -0.181 0.000 1.321 238 S CA -0.193 57.938 58.200 -0.116 0.000 1.054 238 S CB -0.402 62.704 63.200 -0.156 0.000 0.899 238 S HN 0.424 nan 8.310 nan 0.000 0.497 239 I N 3.134 123.565 120.570 -0.231 0.000 2.476 239 I HA 0.255 4.432 4.170 0.011 0.000 0.281 239 I C 0.196 176.131 176.117 -0.304 0.000 1.040 239 I CA -0.129 61.030 61.300 -0.235 0.000 1.094 239 I CB 1.123 39.126 38.000 0.004 0.000 1.219 239 I HN 0.673 nan 8.210 nan 0.000 0.450 240 S N 4.755 120.208 115.700 -0.413 0.000 2.651 240 S HA 0.312 4.788 4.470 0.011 0.000 0.246 240 S C -0.253 174.237 174.600 -0.182 0.000 1.039 240 S CA -0.451 57.586 58.200 -0.272 0.000 1.013 240 S CB -0.448 62.628 63.200 -0.208 0.000 0.861 240 S HN 0.517 nan 8.310 nan 0.000 0.485 241 Y N 2.088 122.391 120.300 0.004 0.000 2.597 241 Y HA 0.325 4.882 4.550 0.011 0.000 0.336 241 Y C 1.888 177.771 175.900 -0.029 0.000 1.216 241 Y CA -0.773 57.335 58.100 0.014 0.000 1.463 241 Y CB 0.396 38.888 38.460 0.054 0.000 1.303 241 Y HN 0.160 nan 8.280 nan 0.000 0.576 242 R N 1.236 121.785 120.500 0.081 0.000 2.127 242 R HA -0.073 4.274 4.340 0.011 0.000 0.238 242 R C -0.911 175.112 176.300 -0.462 0.000 1.134 242 R CA 1.377 57.350 56.100 -0.212 0.000 0.975 242 R CB -0.324 29.785 30.300 -0.319 0.000 0.865 242 R HN 0.473 nan 8.270 nan 0.000 0.447 243 F N -0.685 119.346 119.950 0.134 0.000 2.539 243 F HA 0.411 4.941 4.527 0.004 0.000 0.328 243 F C -0.818 175.025 175.800 0.071 0.000 1.148 243 F CA -1.166 56.856 58.000 0.037 0.000 0.940 243 F CB 2.085 41.020 39.000 -0.109 0.000 1.194 243 F HN -0.392 nan 8.300 nan 0.000 0.438 244 V N 2.275 122.338 119.914 0.249 0.000 2.495 244 V HA 0.508 4.635 4.120 0.011 0.000 0.298 244 V C -0.201 175.996 176.094 0.173 0.000 1.031 244 V CA -0.677 61.758 62.300 0.225 0.000 0.871 244 V CB 2.191 34.146 31.823 0.220 0.000 0.988 244 V HN 0.712 nan 8.190 nan 0.000 0.432 245 T N 4.410 119.055 114.554 0.152 0.000 2.743 245 T HA 0.621 4.978 4.350 0.011 0.000 0.292 245 T C 0.048 174.856 174.700 0.180 0.000 0.972 245 T CA -0.172 62.017 62.100 0.147 0.000 0.967 245 T CB 1.133 70.039 68.868 0.063 0.000 0.926 245 T HN 0.885 nan 8.240 nan 0.000 0.459 246 A N 2.973 125.932 122.820 0.231 0.000 2.267 246 A HA 0.779 5.105 4.320 0.011 0.000 0.315 246 A C 0.069 177.810 177.584 0.261 0.000 1.297 246 A CA -0.833 51.344 52.037 0.233 0.000 0.865 246 A CB 0.459 19.607 19.000 0.247 0.000 1.165 246 A HN 0.943 nan 8.150 nan 0.000 0.513 247 A N 2.815 125.752 122.820 0.196 0.000 2.287 247 A HA 0.687 5.014 4.320 0.011 0.000 0.317 247 A C -0.629 177.053 177.584 0.162 0.000 1.220 247 A CA -0.395 51.760 52.037 0.196 0.000 0.835 247 A CB 0.770 19.836 19.000 0.109 0.000 1.180 247 A HN 0.963 nan 8.150 nan 0.000 0.500 248 V N 3.211 123.235 119.914 0.182 0.000 2.823 248 V HA 0.716 4.843 4.120 0.011 0.000 0.312 248 V C -0.355 175.810 176.094 0.119 0.000 1.072 248 V CA -0.642 61.766 62.300 0.180 0.000 0.937 248 V CB 2.235 34.190 31.823 0.221 0.000 1.013 248 V HN 1.051 nan 8.190 nan 0.000 0.430 249 K N 1.856 122.332 120.400 0.126 0.000 2.551 249 K HA 0.867 5.194 4.320 0.011 0.000 0.269 249 K C -0.710 176.060 176.600 0.283 0.000 0.949 249 K CA -0.876 55.437 56.287 0.043 0.000 0.849 249 K CB 2.633 34.924 32.500 -0.349 0.000 1.411 249 K HN 0.913 nan 8.250 nan 0.000 0.432 250 G N 0.046 109.054 108.800 0.348 0.000 2.719 250 G HA2 0.740 4.707 3.960 0.011 0.000 0.298 250 G HA3 0.740 4.707 3.960 0.011 0.000 0.298 250 G C -1.063 174.093 174.900 0.427 0.000 1.411 250 G CA -0.488 44.883 45.100 0.452 0.000 0.991 250 G HN 0.818 nan 8.290 nan 0.000 0.509 251 G N -0.824 108.144 108.800 0.279 0.000 2.911 251 G HA2 0.739 4.706 3.960 0.011 0.000 0.299 251 G HA3 0.739 4.706 3.960 0.011 0.000 0.299 251 G C -0.334 174.577 174.900 0.018 0.000 1.283 251 G CA 0.138 45.285 45.100 0.079 0.000 0.805 251 G HN 1.534 nan 8.290 nan 0.000 0.548 252 A N 0.223 123.020 122.820 -0.038 0.000 2.500 252 A HA 0.442 4.768 4.320 0.011 0.000 0.285 252 A C 0.711 178.285 177.584 -0.017 0.000 1.183 252 A CA 1.221 53.244 52.037 -0.024 0.000 0.851 252 A CB -0.739 18.238 19.000 -0.037 0.000 1.091 252 A HN 1.481 nan 8.150 nan 0.000 0.521 253 D N 0.595 121.011 120.400 0.028 0.000 2.689 253 D HA -0.188 4.459 4.640 0.011 0.000 0.237 253 D C 0.017 176.374 176.300 0.095 0.000 1.148 253 D CA 2.100 56.136 54.000 0.061 0.000 0.656 253 D CB -1.152 39.667 40.800 0.030 0.000 1.050 253 D HN 1.011 nan 8.370 nan 0.000 0.426 254 K N -0.506 119.988 120.400 0.157 0.000 2.598 254 K HA 0.622 4.949 4.320 0.011 0.000 0.271 254 K C -1.000 175.857 176.600 0.429 0.000 0.947 254 K CA -1.085 55.319 56.287 0.195 0.000 0.854 254 K CB 1.362 33.821 32.500 -0.068 0.000 1.401 254 K HN 0.169 nan 8.250 nan 0.000 0.415 255 W N -0.188 121.243 121.300 0.217 0.000 2.937 255 W HA 0.784 5.450 4.660 0.011 0.000 0.360 255 W C -2.127 174.594 176.519 0.337 0.000 1.215 255 W CA -0.701 56.829 57.345 0.308 0.000 1.183 255 W CB 0.792 30.374 29.460 0.205 0.000 1.458 255 W HN 1.014 nan 8.180 nan 0.000 0.574 256 A N 0.983 123.969 122.820 0.277 0.000 2.608 256 A HA 0.807 5.133 4.320 0.011 0.000 0.292 256 A C -2.136 175.542 177.584 0.156 0.000 1.066 256 A CA -0.937 51.109 52.037 0.014 0.000 0.676 256 A CB 1.547 20.534 19.000 -0.021 0.000 1.277 256 A HN 0.619 nan 8.150 nan 0.000 0.413 257 I N 0.853 121.480 120.570 0.095 0.000 2.466 257 I HA 0.541 4.718 4.170 0.011 0.000 0.289 257 I C -0.248 175.867 176.117 -0.005 0.000 1.026 257 I CA -0.416 60.985 61.300 0.168 0.000 1.078 257 I CB 2.088 40.274 38.000 0.311 0.000 1.249 257 I HN 0.671 nan 8.210 nan 0.000 0.429 258 R N 3.840 124.305 120.500 -0.058 0.000 2.574 258 R HA 0.746 5.092 4.340 0.011 0.000 0.288 258 R C -0.543 175.628 176.300 -0.215 0.000 1.004 258 R CA -0.790 55.154 56.100 -0.259 0.000 0.895 258 R CB 2.611 32.818 30.300 -0.154 0.000 1.191 258 R HN 0.791 nan 8.270 nan 0.000 0.444 259 G N 0.462 108.995 108.800 -0.445 0.000 2.605 259 G HA2 0.860 4.826 3.960 0.011 0.000 0.296 259 G HA3 0.860 4.826 3.960 0.011 0.000 0.296 259 G C -1.570 173.333 174.900 0.005 0.000 1.304 259 G CA -0.510 44.553 45.100 -0.063 0.000 0.941 259 G HN 0.695 nan 8.290 nan 0.000 0.475 260 A N 0.140 123.043 122.820 0.138 0.000 2.567 260 A HA 0.623 4.950 4.320 0.011 0.000 0.291 260 A C -1.184 176.452 177.584 0.087 0.000 1.048 260 A CA -0.790 51.308 52.037 0.102 0.000 0.661 260 A CB 1.257 20.254 19.000 -0.005 0.000 1.288 260 A HN 0.819 nan 8.150 nan 0.000 0.424 261 N N 1.018 119.624 118.700 -0.156 0.000 2.405 261 N HA 0.332 5.079 4.740 0.011 0.000 0.260 261 N C 1.064 176.494 175.510 -0.133 0.000 1.152 261 N CA 0.508 53.322 53.050 -0.394 0.000 0.948 261 N CB 1.416 39.372 38.487 -0.885 0.000 1.111 261 N HN 0.905 nan 8.380 nan 0.000 0.485 262 A N 3.390 126.201 122.820 -0.015 0.000 2.225 262 A HA 0.031 4.358 4.320 0.011 0.000 0.215 262 A C 1.628 179.182 177.584 -0.050 0.000 1.164 262 A CA 1.456 53.474 52.037 -0.033 0.000 0.710 262 A CB -0.232 18.737 19.000 -0.050 0.000 0.780 262 A HN 0.722 nan 8.150 nan 0.000 0.473 263 A N -1.904 120.897 122.820 -0.031 0.000 2.303 263 A HA 0.539 4.866 4.320 0.011 0.000 0.217 263 A C 0.767 178.320 177.584 -0.052 0.000 1.205 263 A CA 0.810 52.834 52.037 -0.022 0.000 0.875 263 A CB 0.079 19.115 19.000 0.060 0.000 0.910 263 A HN 0.726 nan 8.150 nan 0.000 0.501 264 S N -1.860 113.784 115.700 -0.094 0.000 2.560 264 S HA 0.529 5.006 4.470 0.011 0.000 0.283 264 S C -0.229 174.304 174.600 -0.110 0.000 1.141 264 S CA 0.687 58.832 58.200 -0.093 0.000 0.902 264 S CB 0.464 63.612 63.200 -0.086 0.000 1.104 264 S HN 2.214 nan 8.310 nan 0.000 0.454 265 G N 2.673 111.426 108.800 -0.079 0.000 2.698 265 G HA2 0.047 4.013 3.960 0.011 0.000 0.225 265 G HA3 0.047 4.013 3.960 0.011 0.000 0.225 265 G C -0.126 174.734 174.900 -0.066 0.000 1.345 265 G CA -0.065 44.994 45.100 -0.069 0.000 0.871 265 G HN 2.075 nan 8.290 nan 0.000 0.540 266 S N -1.099 114.570 115.700 -0.052 0.000 2.693 266 S HA 0.788 5.265 4.470 0.011 0.000 0.276 266 S C 0.358 174.926 174.600 -0.053 0.000 1.192 266 S CA -0.737 57.430 58.200 -0.055 0.000 0.994 266 S CB 1.619 64.792 63.200 -0.045 0.000 1.012 266 S HN 0.960 nan 8.310 nan 0.000 0.550 267 L N 1.715 122.895 121.223 -0.072 0.000 2.350 267 L HA 0.424 4.771 4.340 0.011 0.000 0.275 267 L C 0.179 176.981 176.870 -0.112 0.000 1.099 267 L CA -0.282 54.502 54.840 -0.094 0.000 0.808 267 L CB 1.491 43.485 42.059 -0.107 0.000 1.149 267 L HN 0.698 nan 8.230 nan 0.000 0.442 268 S N 0.524 116.115 115.700 -0.182 0.000 2.537 268 S HA 0.425 4.901 4.470 0.011 0.000 0.301 268 S C -0.323 174.033 174.600 -0.407 0.000 1.092 268 S CA -0.611 57.477 58.200 -0.186 0.000 1.048 268 S CB 1.830 65.022 63.200 -0.013 0.000 1.053 268 S HN 0.524 nan 8.310 nan 0.000 0.501 269 T N 3.250 117.669 114.554 -0.225 0.000 2.733 269 T HA 0.251 4.607 4.350 0.011 0.000 0.294 269 T C -0.043 174.624 174.700 -0.054 0.000 0.956 269 T CA -0.180 61.794 62.100 -0.211 0.000 0.987 269 T CB 0.091 68.882 68.868 -0.128 0.000 0.920 269 T HN 0.503 nan 8.240 nan 0.000 0.470 270 Y N 1.777 122.092 120.300 0.025 0.000 2.503 270 Y HA 0.314 4.869 4.550 0.009 0.000 0.278 270 Y C 0.316 176.246 175.900 0.051 0.000 1.111 270 Y CA -0.694 57.435 58.100 0.048 0.000 1.270 270 Y CB 0.059 38.578 38.460 0.098 0.000 1.063 270 Y HN 0.664 nan 8.280 nan 0.000 0.548 271 Y N -0.911 119.372 120.300 -0.030 0.000 2.521 271 Y HA 0.540 5.096 4.550 0.010 0.000 0.332 271 Y C -1.173 174.528 175.900 -0.332 0.000 1.121 271 Y CA -1.443 56.518 58.100 -0.231 0.000 1.037 271 Y CB 1.886 40.096 38.460 -0.416 0.000 1.330 271 Y HN -0.298 nan 8.280 nan 0.000 0.452 272 S N 3.659 118.526 115.700 -1.387 0.000 2.653 272 S HA 0.787 5.264 4.470 0.011 0.000 0.268 272 S C -0.794 173.167 174.600 -1.066 0.000 1.153 272 S CA 0.386 58.040 58.200 -0.909 0.000 1.036 272 S CB 0.452 63.398 63.200 -0.425 0.000 1.103 272 S HN 1.714 nan 8.310 nan 0.000 0.466 273 G N 2.359 110.684 108.800 -0.792 0.000 2.333 273 G HA2 0.604 4.571 3.960 0.011 0.000 0.288 273 G HA3 0.604 4.571 3.960 0.011 0.000 0.288 273 G C -0.366 174.529 174.900 -0.009 0.000 1.286 273 G CA -0.037 44.837 45.100 -0.376 0.000 0.865 273 G HN 1.332 nan 8.290 nan 0.000 0.506 274 A N -0.153 122.736 122.820 0.114 0.000 2.429 274 A HA 0.622 4.949 4.320 0.011 0.000 0.242 274 A C 0.975 178.818 177.584 0.432 0.000 1.088 274 A CA 0.034 52.196 52.037 0.210 0.000 0.784 274 A CB 0.102 19.171 19.000 0.114 0.000 1.038 274 A HN 0.669 nan 8.150 nan 0.000 0.501 275 R N 0.154 120.851 120.500 0.329 0.000 2.784 275 R HA 0.171 4.518 4.340 0.011 0.000 0.266 275 R C -2.474 173.850 176.300 0.040 0.000 1.044 275 R CA -1.323 54.884 56.100 0.178 0.000 1.151 275 R CB -0.873 29.454 30.300 0.045 0.000 1.037 275 R HN 0.435 nan 8.270 nan 0.000 0.478 276 P HA -0.039 nan 4.420 nan 0.000 0.267 276 P C -0.354 176.929 177.300 -0.028 0.000 1.205 276 P CA 0.148 63.087 63.100 -0.269 0.000 0.765 276 P CB 0.338 31.433 31.700 -1.009 0.000 0.828 277 D N 3.138 123.438 120.400 -0.167 0.000 2.671 277 D HA 0.089 4.735 4.640 0.011 0.000 0.228 277 D C -1.080 174.929 176.300 -0.484 0.000 1.102 277 D CA 0.240 54.090 54.000 -0.250 0.000 1.044 277 D CB -1.008 39.640 40.800 -0.253 0.000 1.113 277 D HN 0.209 nan 8.370 nan 0.000 0.480 278 Y N -0.386 120.015 120.300 0.169 0.000 2.524 278 Y HA 0.335 4.892 4.550 0.011 0.000 0.347 278 Y C 0.666 176.692 175.900 0.211 0.000 1.005 278 Y CA -1.268 56.976 58.100 0.241 0.000 1.025 278 Y CB 1.481 40.181 38.460 0.400 0.000 1.275 278 Y HN -0.174 nan 8.280 nan 0.000 0.460 279 S N 1.184 117.023 115.700 0.231 0.000 2.558 279 S HA 0.319 4.796 4.470 0.011 0.000 0.293 279 S C 1.115 175.642 174.600 -0.122 0.000 1.292 279 S CA 1.070 59.305 58.200 0.058 0.000 1.063 279 S CB 0.144 63.368 63.200 0.040 0.000 0.831 279 S HN 1.230 nan 8.310 nan 0.000 0.499 280 G N 1.704 110.402 108.800 -0.170 0.000 2.217 280 G HA2 -0.281 3.686 3.960 0.011 0.000 0.246 280 G HA3 -0.281 3.686 3.960 0.011 0.000 0.246 280 G C 0.409 175.044 174.900 -0.442 0.000 0.990 280 G CA 0.177 45.078 45.100 -0.332 0.000 0.627 280 G HN 0.702 nan 8.290 nan 0.000 0.522 281 Y N 0.557 120.863 120.300 0.010 0.000 2.482 281 Y HA 0.455 5.012 4.550 0.012 0.000 0.270 281 Y C 1.208 177.072 175.900 -0.061 0.000 1.152 281 Y CA 0.354 58.430 58.100 -0.039 0.000 1.292 281 Y CB 0.579 39.010 38.460 -0.048 0.000 1.070 281 Y HN 0.333 nan 8.280 nan 0.000 0.528 282 N N 0.777 119.505 118.700 0.046 0.000 2.616 282 N HA 0.224 4.970 4.740 0.011 0.000 0.281 282 N C -2.983 172.523 175.510 -0.007 0.000 1.145 282 N CA -1.314 51.749 53.050 0.022 0.000 0.919 282 N CB 1.333 39.845 38.487 0.041 0.000 1.509 282 N HN -0.209 nan 8.380 nan 0.000 0.537 283 P HA 0.287 nan 4.420 nan 0.000 0.274 283 P C -0.398 176.869 177.300 -0.054 0.000 1.237 283 P CA -0.393 62.690 63.100 -0.027 0.000 0.793 283 P CB 0.699 32.380 31.700 -0.032 0.000 0.977 284 M N 0.496 120.065 119.600 -0.052 0.000 2.227 284 M HA 0.123 4.609 4.480 0.011 0.000 0.316 284 M C 0.507 176.716 176.300 -0.152 0.000 1.144 284 M CA 0.210 55.456 55.300 -0.089 0.000 1.121 284 M CB 0.492 33.063 32.600 -0.048 0.000 1.440 284 M HN 0.314 nan 8.290 nan 0.000 0.473 285 S N 0.646 116.185 115.700 -0.267 0.000 2.558 285 S HA 0.225 4.701 4.470 0.011 0.000 0.238 285 S C -0.218 174.194 174.600 -0.313 0.000 1.183 285 S CA -0.647 57.331 58.200 -0.369 0.000 1.185 285 S CB 0.079 62.842 63.200 -0.728 0.000 1.003 285 S HN 0.478 nan 8.310 nan 0.000 0.478 286 K N 1.478 121.787 120.400 -0.153 0.000 2.542 286 K HA 0.006 4.332 4.320 0.011 0.000 0.276 286 K C 0.680 177.256 176.600 -0.040 0.000 0.963 286 K CA 0.478 56.719 56.287 -0.076 0.000 0.975 286 K CB 0.501 32.974 32.500 -0.046 0.000 0.901 286 K HN 0.383 nan 8.250 nan 0.000 0.506 287 E N 0.264 120.461 120.200 -0.005 0.000 2.514 287 E HA 0.071 4.428 4.350 0.011 0.000 0.215 287 E C 0.772 177.368 176.600 -0.007 0.000 0.946 287 E CA 0.314 56.721 56.400 0.012 0.000 1.038 287 E CB 0.769 30.496 29.700 0.046 0.000 1.069 287 E HN 0.945 nan 8.360 nan 0.000 0.503 288 G N 1.594 110.382 108.800 -0.020 0.000 2.176 288 G HA2 -0.306 3.660 3.960 0.011 0.000 0.253 288 G HA3 -0.306 3.660 3.960 0.011 0.000 0.253 288 G C 0.396 175.276 174.900 -0.033 0.000 0.979 288 G CA 0.143 45.227 45.100 -0.027 0.000 0.641 288 G HN 0.447 nan 8.290 nan 0.000 0.530 289 A N -0.406 122.392 122.820 -0.036 0.000 2.287 289 A HA 0.802 5.128 4.320 0.011 0.000 0.273 289 A C 0.269 177.811 177.584 -0.070 0.000 1.091 289 A CA -0.048 51.963 52.037 -0.043 0.000 0.817 289 A CB 0.523 19.499 19.000 -0.040 0.000 1.069 289 A HN 0.827 nan 8.150 nan 0.000 0.492 290 I N 1.424 121.950 120.570 -0.075 0.000 2.418 290 I HA 0.395 4.572 4.170 0.011 0.000 0.287 290 I C -0.373 175.668 176.117 -0.126 0.000 1.008 290 I CA -0.258 60.968 61.300 -0.123 0.000 1.104 290 I CB 1.380 39.324 38.000 -0.093 0.000 1.264 290 I HN 0.656 nan 8.210 nan 0.000 0.438 291 I N 4.102 124.575 120.570 -0.163 0.000 2.910 291 I HA 0.792 4.969 4.170 0.011 0.000 0.310 291 I C -1.486 174.541 176.117 -0.149 0.000 1.043 291 I CA -1.153 60.068 61.300 -0.131 0.000 1.053 291 I CB 2.447 40.379 38.000 -0.114 0.000 1.242 291 I HN 0.419 nan 8.210 nan 0.000 0.452 292 L N 3.573 124.711 121.223 -0.141 0.000 2.516 292 L HA 0.711 5.058 4.340 0.011 0.000 0.267 292 L C 0.326 177.050 176.870 -0.244 0.000 0.957 292 L CA 0.831 55.537 54.840 -0.223 0.000 0.860 292 L CB 1.551 43.436 42.059 -0.291 0.000 1.265 292 L HN 1.048 nan 8.230 nan 0.000 0.403 293 G N 3.982 112.466 108.800 -0.528 0.000 2.184 293 G HA2 -0.257 3.709 3.960 0.011 0.000 0.264 293 G HA3 -0.257 3.709 3.960 0.011 0.000 0.264 293 G C 0.142 174.972 174.900 -0.118 0.000 0.975 293 G CA 0.910 45.774 45.100 -0.393 0.000 0.642 293 G HN 1.215 nan 8.290 nan 0.000 0.536 294 I N -2.927 117.563 120.570 -0.134 0.000 3.239 294 I HA 0.914 5.091 4.170 0.011 0.000 0.314 294 I C 0.672 176.767 176.117 -0.037 0.000 1.126 294 I CA -1.070 60.203 61.300 -0.044 0.000 0.973 294 I CB 1.446 39.424 38.000 -0.037 0.000 1.252 294 I HN 0.212 nan 8.210 nan 0.000 0.463 295 G N -0.043 108.757 108.800 -0.000 0.000 2.502 295 G HA2 0.449 4.415 3.960 0.011 0.000 0.305 295 G HA3 0.449 4.415 3.960 0.011 0.000 0.305 295 G C 0.738 175.627 174.900 -0.018 0.000 1.190 295 G CA -0.324 44.771 45.100 -0.009 0.000 0.933 295 G HN 1.015 nan 8.290 nan 0.000 0.503 296 G N -0.064 108.713 108.800 -0.038 0.000 2.442 296 G HA2 -0.186 3.781 3.960 0.011 0.000 0.219 296 G HA3 -0.186 3.781 3.960 0.011 0.000 0.219 296 G C 1.019 175.906 174.900 -0.022 0.000 1.141 296 G CA 1.460 46.536 45.100 -0.040 0.000 0.763 296 G HN 0.681 nan 8.290 nan 0.000 0.554 297 D N -1.000 119.408 120.400 0.013 0.000 2.370 297 D HA 0.090 4.737 4.640 0.011 0.000 0.230 297 D C 0.849 177.217 176.300 0.114 0.000 1.143 297 D CA -0.533 53.481 54.000 0.025 0.000 0.834 297 D CB -0.561 40.248 40.800 0.015 0.000 0.944 297 D HN 0.196 nan 8.370 nan 0.000 0.504 298 N N -0.559 118.193 118.700 0.087 0.000 2.776 298 N HA -0.204 4.543 4.740 0.011 0.000 0.250 298 N C -1.113 174.492 175.510 0.160 0.000 1.112 298 N CA 0.681 53.786 53.050 0.092 0.000 0.733 298 N CB -1.729 36.791 38.487 0.055 0.000 1.097 298 N HN 0.152 nan 8.380 nan 0.000 0.558 299 S N 1.075 116.876 115.700 0.168 0.000 2.525 299 S HA 0.101 4.577 4.470 0.011 0.000 0.285 299 S C 0.812 175.402 174.600 -0.017 0.000 1.283 299 S CA 0.022 58.215 58.200 -0.012 0.000 1.072 299 S CB 0.199 63.383 63.200 -0.027 0.000 0.867 299 S HN 0.467 nan 8.310 nan 0.000 0.492 300 N N 2.058 120.726 118.700 -0.054 0.000 2.599 300 N HA 0.145 4.891 4.740 0.011 0.000 0.309 300 N C 0.421 175.927 175.510 -0.005 0.000 1.743 300 N CA -0.474 52.571 53.050 -0.009 0.000 0.918 300 N CB 0.706 39.196 38.487 0.006 0.000 1.339 300 N HN 0.611 nan 8.380 nan 0.000 0.493 301 G N -0.853 107.940 108.800 -0.012 0.000 3.159 301 G HA2 0.434 4.400 3.960 0.011 0.000 0.232 301 G HA3 0.434 4.400 3.960 0.011 0.000 0.232 301 G C 0.411 175.324 174.900 0.022 0.000 1.116 301 G CA 0.100 45.201 45.100 0.001 0.000 0.767 301 G HN 0.548 nan 8.290 nan 0.000 0.547 302 A N 0.232 123.082 122.820 0.050 0.000 2.264 302 A HA 0.752 5.078 4.320 0.011 0.000 0.304 302 A C 0.008 177.565 177.584 -0.045 0.000 1.100 302 A CA -0.513 51.556 52.037 0.053 0.000 0.839 302 A CB 0.628 19.734 19.000 0.178 0.000 1.121 302 A HN 0.437 nan 8.150 nan 0.000 0.496 303 Q N -0.299 119.357 119.800 -0.240 0.000 2.423 303 Q HA 0.773 5.120 4.340 0.011 0.000 0.278 303 Q C -0.351 174.877 176.000 -1.287 0.000 1.097 303 Q CA -0.681 54.770 55.803 -0.587 0.000 0.809 303 Q CB 2.212 30.643 28.738 -0.512 0.000 1.391 303 Q HN 1.483 nan 8.270 nan 0.000 0.428 304 G N 0.191 107.883 108.800 -1.845 0.000 2.349 304 G HA2 0.475 4.441 3.960 0.011 0.000 0.294 304 G HA3 0.475 4.441 3.960 0.011 0.000 0.294 304 G C -1.574 172.566 174.900 -1.266 0.000 1.380 304 G CA -0.607 43.166 45.100 -2.212 0.000 0.811 304 G HN 0.519 nan 8.290 nan 0.000 0.519 305 T N 0.516 114.662 114.554 -0.679 0.000 2.879 305 T HA 0.556 4.913 4.350 0.011 0.000 0.290 305 T C -1.510 173.085 174.700 -0.175 0.000 0.993 305 T CA -0.202 61.711 62.100 -0.312 0.000 0.975 305 T CB 1.400 70.105 68.868 -0.272 0.000 0.981 305 T HN 0.575 nan 8.240 nan 0.000 0.439 306 F N 3.124 122.916 119.950 -0.262 0.000 2.427 306 F HA 0.533 5.068 4.527 0.013 0.000 0.346 306 F C -0.466 175.147 175.800 -0.311 0.000 1.120 306 F CA -0.720 57.151 58.000 -0.214 0.000 1.033 306 F CB 0.888 39.796 39.000 -0.154 0.000 1.126 306 F HN 0.616 nan 8.300 nan 0.000 0.462 307 Y N 2.442 122.440 120.300 -0.504 0.000 2.609 307 Y HA 0.241 4.800 4.550 0.014 0.000 0.281 307 Y C 0.023 175.618 175.900 -0.508 0.000 1.132 307 Y CA 0.291 58.226 58.100 -0.275 0.000 1.264 307 Y CB 0.197 38.618 38.460 -0.066 0.000 1.325 307 Y HN 0.564 nan 8.280 nan 0.000 0.514 308 E N -0.945 118.770 120.200 -0.808 0.000 2.388 308 E HA 0.599 4.956 4.350 0.011 0.000 0.280 308 E C -0.882 175.193 176.600 -0.875 0.000 1.019 308 E CA -0.923 55.096 56.400 -0.634 0.000 0.806 308 E CB 1.993 31.654 29.700 -0.065 0.000 1.246 308 E HN 0.111 nan 8.360 nan 0.000 0.443 309 G N 0.025 108.532 108.800 -0.488 0.000 2.523 309 G HA2 0.569 4.536 3.960 0.011 0.000 0.291 309 G HA3 0.569 4.536 3.960 0.011 0.000 0.291 309 G C -1.067 173.760 174.900 -0.120 0.000 1.450 309 G CA -0.140 44.630 45.100 -0.551 0.000 0.790 309 G HN 1.239 nan 8.290 nan 0.000 0.496 310 V N -2.559 117.298 119.914 -0.096 0.000 3.232 310 V HA 0.917 5.043 4.120 0.011 0.000 0.303 310 V C -0.756 175.397 176.094 0.099 0.000 1.311 310 V CA -1.259 61.102 62.300 0.102 0.000 1.061 310 V CB 1.886 33.739 31.823 0.050 0.000 1.085 310 V HN 0.943 nan 8.190 nan 0.000 0.447 311 M N 2.389 121.994 119.600 0.009 0.000 2.464 311 M HA 0.750 5.237 4.480 0.011 0.000 0.308 311 M C -0.351 175.868 176.300 -0.134 0.000 1.127 311 M CA -0.307 54.947 55.300 -0.077 0.000 0.913 311 M CB 2.600 35.148 32.600 -0.087 0.000 1.689 311 M HN 1.143 nan 8.290 nan 0.000 0.445 312 T N -1.579 112.868 114.554 -0.178 0.000 2.888 312 T HA 0.641 4.997 4.350 0.011 0.000 0.288 312 T C -0.667 173.981 174.700 -0.088 0.000 1.063 312 T CA -0.812 61.175 62.100 -0.188 0.000 1.010 312 T CB 1.945 70.598 68.868 -0.358 0.000 1.214 312 T HN 0.574 nan 8.240 nan 0.000 0.533 313 S N -0.213 115.458 115.700 -0.050 0.000 2.451 313 S HA 0.710 5.187 4.470 0.011 0.000 0.301 313 S C 0.322 174.932 174.600 0.018 0.000 1.116 313 S CA 0.665 58.861 58.200 -0.006 0.000 1.093 313 S CB -0.227 62.977 63.200 0.006 0.000 1.017 313 S HN 2.163 nan 8.310 nan 0.000 0.482 314 G N 2.926 111.756 108.800 0.050 0.000 2.663 314 G HA2 -0.174 3.793 3.960 0.011 0.000 0.686 314 G HA3 -0.174 3.793 3.960 0.011 0.000 0.686 314 G C -1.229 173.754 174.900 0.138 0.000 1.246 314 G CA -0.760 44.396 45.100 0.094 0.000 0.795 314 G HN 0.947 nan 8.290 nan 0.000 0.627 315 Y N 2.800 123.125 120.300 0.041 0.000 2.585 315 Y HA 0.491 5.048 4.550 0.012 0.000 0.354 315 Y C -1.491 174.452 175.900 0.071 0.000 1.024 315 Y CA -1.572 56.562 58.100 0.056 0.000 1.321 315 Y CB 0.665 39.155 38.460 0.050 0.000 1.151 315 Y HN 0.473 nan 8.280 nan 0.000 0.525 316 P HA 0.007 nan 4.420 nan 0.000 0.266 316 P C -0.692 176.589 177.300 -0.032 0.000 1.195 316 P CA 0.094 63.207 63.100 0.022 0.000 0.768 316 P CB 0.641 32.414 31.700 0.120 0.000 0.838 317 S N 1.013 116.737 115.700 0.040 0.000 2.632 317 S HA 0.178 4.654 4.470 0.011 0.000 0.267 317 S C 0.770 175.362 174.600 -0.014 0.000 1.276 317 S CA -0.412 57.810 58.200 0.036 0.000 0.998 317 S CB 0.677 63.901 63.200 0.041 0.000 0.953 317 S HN 0.300 nan 8.310 nan 0.000 0.547 318 D N 0.991 121.380 120.400 -0.017 0.000 2.117 318 D HA -0.086 4.560 4.640 0.011 0.000 0.197 318 D C 1.256 177.521 176.300 -0.059 0.000 0.987 318 D CA 1.314 55.287 54.000 -0.045 0.000 0.829 318 D CB -0.412 40.364 40.800 -0.040 0.000 0.961 318 D HN 0.621 nan 8.370 nan 0.000 0.460 319 D N -0.128 120.244 120.400 -0.046 0.000 2.149 319 D HA -0.103 4.543 4.640 0.011 0.000 0.198 319 D C 1.965 178.212 176.300 -0.088 0.000 0.990 319 D CA 1.090 55.055 54.000 -0.058 0.000 0.839 319 D CB -0.426 40.350 40.800 -0.040 0.000 0.948 319 D HN 0.167 nan 8.370 nan 0.000 0.460 320 T N 0.930 115.433 114.554 -0.085 0.000 2.708 320 T HA -0.128 4.229 4.350 0.011 0.000 0.266 320 T C 1.802 176.351 174.700 -0.252 0.000 1.037 320 T CA 1.168 63.182 62.100 -0.144 0.000 1.146 320 T CB -0.191 68.631 68.868 -0.076 0.000 0.865 320 T HN 0.295 nan 8.240 nan 0.000 0.435 321 E N 1.012 121.100 120.200 -0.187 0.000 2.110 321 E HA -0.115 4.242 4.350 0.011 0.000 0.193 321 E C 2.255 178.725 176.600 -0.216 0.000 0.988 321 E CA 0.818 57.089 56.400 -0.216 0.000 0.804 321 E CB -0.121 29.519 29.700 -0.100 0.000 0.745 321 E HN 0.350 nan 8.360 nan 0.000 0.458 322 N N 0.412 119.016 118.700 -0.160 0.000 2.166 322 N HA -0.097 4.649 4.740 0.011 0.000 0.186 322 N C 1.830 177.245 175.510 -0.158 0.000 1.019 322 N CA 0.966 53.933 53.050 -0.139 0.000 0.856 322 N CB -0.299 38.126 38.487 -0.102 0.000 0.993 322 N HN -0.023 nan 8.380 nan 0.000 0.426 323 S N 0.321 115.916 115.700 -0.176 0.000 2.368 323 S HA -0.038 4.438 4.470 0.011 0.000 0.224 323 S C 2.247 176.713 174.600 -0.224 0.000 1.029 323 S CA 0.661 58.756 58.200 -0.176 0.000 0.988 323 S CB -0.218 62.879 63.200 -0.171 0.000 0.838 323 S HN 0.083 nan 8.310 nan 0.000 0.462 324 V N 2.068 121.786 119.914 -0.326 0.000 2.255 324 V HA -0.228 3.899 4.120 0.011 0.000 0.247 324 V C 2.631 178.532 176.094 -0.321 0.000 1.051 324 V CA 2.146 64.202 62.300 -0.406 0.000 1.018 324 V CB -0.855 30.585 31.823 -0.639 0.000 0.641 324 V HN 0.418 nan 8.190 nan 0.000 0.445 325 Q N 0.808 120.443 119.800 -0.276 0.000 2.112 325 Q HA -0.279 4.068 4.340 0.011 0.000 0.206 325 Q C 2.134 178.045 176.000 -0.148 0.000 0.987 325 Q CA 2.542 58.225 55.803 -0.200 0.000 0.858 325 Q CB -0.499 28.146 28.738 -0.154 0.000 0.905 325 Q HN 0.738 nan 8.270 nan 0.000 0.420 326 E N -0.430 119.688 120.200 -0.137 0.000 2.077 326 E HA -0.229 4.128 4.350 0.011 0.000 0.193 326 E C 1.907 178.449 176.600 -0.097 0.000 0.989 326 E CA 1.134 57.471 56.400 -0.104 0.000 0.800 326 E CB -0.352 29.291 29.700 -0.096 0.000 0.746 326 E HN 0.555 nan 8.360 nan 0.000 0.452 327 N N 0.878 119.508 118.700 -0.117 0.000 2.104 327 N HA -0.187 4.559 4.740 0.011 0.000 0.190 327 N C 1.986 177.454 175.510 -0.070 0.000 1.024 327 N CA 1.374 54.367 53.050 -0.095 0.000 0.853 327 N CB -0.162 38.255 38.487 -0.115 0.000 1.008 327 N HN 0.276 nan 8.380 nan 0.000 0.424 328 I N 0.605 121.124 120.570 -0.085 0.000 2.226 328 I HA -0.222 3.955 4.170 0.011 0.000 0.245 328 I C 2.333 178.444 176.117 -0.010 0.000 1.100 328 I CA 0.667 61.950 61.300 -0.028 0.000 1.374 328 I CB -0.217 37.740 38.000 -0.072 0.000 1.057 328 I HN -0.049 nan 8.210 nan 0.000 0.413 329 V N 1.123 121.008 119.914 -0.049 0.000 2.407 329 V HA -0.305 3.822 4.120 0.011 0.000 0.248 329 V C 2.699 178.767 176.094 -0.043 0.000 1.055 329 V CA 2.007 64.280 62.300 -0.046 0.000 1.049 329 V CB -0.970 30.817 31.823 -0.060 0.000 0.662 329 V HN 0.508 nan 8.190 nan 0.000 0.455 330 A N -0.060 122.731 122.820 -0.048 0.000 1.969 330 A HA -0.056 4.271 4.320 0.011 0.000 0.218 330 A C 2.389 179.937 177.584 -0.060 0.000 1.169 330 A CA 1.713 53.719 52.037 -0.051 0.000 0.635 330 A CB -0.650 18.320 19.000 -0.050 0.000 0.810 330 A HN 0.581 nan 8.150 nan 0.000 0.445 331 A N -0.620 122.166 122.820 -0.055 0.000 2.076 331 A HA -0.018 4.309 4.320 0.011 0.000 0.220 331 A C 1.098 178.575 177.584 -0.178 0.000 1.160 331 A CA 1.282 53.255 52.037 -0.107 0.000 0.653 331 A CB -0.530 18.428 19.000 -0.070 0.000 0.801 331 A HN 0.545 nan 8.150 nan 0.000 0.455 332 K N -1.437 118.895 120.400 -0.113 0.000 3.653 332 K HA -0.197 4.130 4.320 0.011 0.000 0.275 332 K C -1.290 175.173 176.600 -0.230 0.000 0.962 332 K CA 0.392 56.602 56.287 -0.130 0.000 0.773 332 K CB -1.826 30.607 32.500 -0.111 0.000 1.463 332 K HN 0.562 nan 8.250 nan 0.000 0.450 333 Y N -0.113 119.935 120.300 -0.420 0.000 2.511 333 Y HA 0.199 4.754 4.550 0.007 0.000 0.332 333 Y C 1.055 176.591 175.900 -0.606 0.000 1.177 333 Y CA 0.021 57.669 58.100 -0.753 0.000 1.422 333 Y CB 0.933 38.503 38.460 -1.483 0.000 1.271 333 Y HN 0.057 nan 8.280 nan 0.000 0.550 334 V N 3.768 123.527 119.914 -0.258 0.000 2.851 334 V HA 0.200 4.327 4.120 0.011 0.000 0.307 334 V C -0.820 175.420 176.094 0.243 0.000 1.129 334 V CA -1.325 61.031 62.300 0.093 0.000 0.932 334 V CB 2.050 33.891 31.823 0.030 0.000 1.024 334 V HN 0.457 nan 8.190 nan 0.000 0.426 335 V N 3.646 123.810 119.914 0.416 0.000 2.694 335 V HA 0.358 4.484 4.120 0.011 0.000 0.306 335 V C 1.166 177.367 176.094 0.178 0.000 1.054 335 V CA 1.063 63.558 62.300 0.326 0.000 1.161 335 V CB 0.676 32.624 31.823 0.209 0.000 0.916 335 V HN 1.036 nan 8.190 nan 0.000 0.490 336 G N 2.767 111.664 108.800 0.161 0.000 2.531 336 G HA2 0.451 4.418 3.960 0.011 0.000 0.313 336 G HA3 0.451 4.418 3.960 0.011 0.000 0.313 336 G C -0.198 174.762 174.900 0.100 0.000 1.238 336 G CA -0.440 44.715 45.100 0.093 0.000 0.994 336 G HN 0.734 nan 8.290 nan 0.000 0.493 337 S N -1.060 114.689 115.700 0.081 0.000 2.523 337 S HA 0.214 4.691 4.470 0.011 0.000 0.275 337 S C 1.230 175.900 174.600 0.117 0.000 1.281 337 S CA -0.653 57.601 58.200 0.091 0.000 1.050 337 S CB 0.456 63.705 63.200 0.081 0.000 0.937 337 S HN 0.385 nan 8.310 nan 0.000 0.492 338 L N 4.853 126.147 121.223 0.118 0.000 2.529 338 L HA 0.265 4.612 4.340 0.011 0.000 0.223 338 L C -0.150 176.810 176.870 0.150 0.000 1.113 338 L CA 0.052 54.972 54.840 0.133 0.000 0.861 338 L CB 0.359 42.497 42.059 0.132 0.000 1.012 338 L HN 0.415 nan 8.230 nan 0.000 0.461 339 V N -0.636 119.365 119.914 0.147 0.000 2.630 339 V HA 0.594 4.721 4.120 0.011 0.000 0.305 339 V C -0.043 176.143 176.094 0.153 0.000 1.046 339 V CA -0.505 61.902 62.300 0.178 0.000 0.934 339 V CB 1.704 33.654 31.823 0.211 0.000 1.003 339 V HN 0.283 nan 8.190 nan 0.000 0.451 340 S N 1.581 117.373 115.700 0.154 0.000 2.550 340 S HA 0.921 5.398 4.470 0.011 0.000 0.270 340 S C -0.265 174.391 174.600 0.095 0.000 1.145 340 S CA 0.064 58.334 58.200 0.117 0.000 0.852 340 S CB 1.669 64.942 63.200 0.122 0.000 1.119 340 S HN 2.374 nan 8.310 nan 0.000 0.465 341 G N 2.265 111.101 108.800 0.059 0.000 2.660 341 G HA2 -0.035 3.931 3.960 0.011 0.000 0.215 341 G HA3 -0.035 3.931 3.960 0.011 0.000 0.215 341 G C -1.817 173.071 174.900 -0.019 0.000 1.345 341 G CA -0.082 45.032 45.100 0.023 0.000 0.877 341 G HN 0.822 nan 8.290 nan 0.000 0.549 342 P HA 0.010 nan 4.420 nan 0.000 0.210 342 P C 1.288 178.451 177.300 -0.229 0.000 1.151 342 P CA 2.741 65.743 63.100 -0.164 0.000 0.949 342 P CB -0.243 31.317 31.700 -0.234 0.000 0.786 343 S N -4.312 111.159 115.700 -0.382 0.000 3.860 343 S HA -0.111 4.365 4.470 0.011 0.000 0.712 343 S C -0.535 173.629 174.600 -0.728 0.000 1.287 343 S CA -0.262 57.717 58.200 -0.369 0.000 1.330 343 S CB -1.529 61.684 63.200 0.022 0.000 0.442 343 S HN 0.019 nan 8.310 nan 0.000 0.798 344 F N 0.406 120.111 119.950 -0.408 0.000 2.712 344 F HA 0.752 5.285 4.527 0.010 0.000 0.367 344 F C 0.738 176.354 175.800 -0.307 0.000 1.132 344 F CA -0.615 57.094 58.000 -0.486 0.000 1.066 344 F CB 1.772 40.298 39.000 -0.789 0.000 1.416 344 F HN 0.519 nan 8.300 nan 0.000 0.515 345 T N -0.338 114.245 114.554 0.049 0.000 2.861 345 T HA 0.282 4.639 4.350 0.011 0.000 0.287 345 T C -0.649 174.120 174.700 0.116 0.000 1.003 345 T CA -0.768 61.409 62.100 0.128 0.000 0.977 345 T CB 1.657 70.579 68.868 0.089 0.000 0.996 345 T HN 0.608 nan 8.240 nan 0.000 0.448 346 S N 1.540 117.348 115.700 0.181 0.000 2.544 346 S HA 0.382 4.859 4.470 0.011 0.000 0.290 346 S C 1.572 176.214 174.600 0.070 0.000 1.276 346 S CA 1.379 59.657 58.200 0.130 0.000 1.075 346 S CB -0.556 62.716 63.200 0.121 0.000 0.849 346 S HN 1.344 nan 8.310 nan 0.000 0.494 347 G N 3.211 112.039 108.800 0.046 0.000 2.234 347 G HA2 -0.242 3.724 3.960 0.011 0.000 0.235 347 G HA3 -0.242 3.724 3.960 0.011 0.000 0.235 347 G C 0.014 174.932 174.900 0.032 0.000 0.997 347 G CA 0.240 45.361 45.100 0.035 0.000 0.623 347 G HN 0.905 nan 8.290 nan 0.000 0.514 348 E N 0.811 121.032 120.200 0.036 0.000 2.413 348 E HA 0.389 4.746 4.350 0.011 0.000 0.263 348 E C -0.060 176.573 176.600 0.054 0.000 1.015 348 E CA -0.099 56.331 56.400 0.051 0.000 0.916 348 E CB 0.732 30.480 29.700 0.081 0.000 0.947 348 E HN 0.311 nan 8.360 nan 0.000 0.440 349 V N 5.652 125.603 119.914 0.061 0.000 2.417 349 V HA 0.426 4.553 4.120 0.011 0.000 0.291 349 V C 0.214 176.369 176.094 0.101 0.000 1.024 349 V CA -0.560 61.783 62.300 0.071 0.000 0.861 349 V CB 0.848 32.692 31.823 0.035 0.000 0.985 349 V HN 0.621 nan 8.190 nan 0.000 0.436 350 V N 1.681 121.692 119.914 0.161 0.000 3.167 350 V HA 0.901 5.027 4.120 0.011 0.000 0.310 350 V C -0.430 175.805 176.094 0.235 0.000 1.207 350 V CA -0.514 61.902 62.300 0.194 0.000 1.059 350 V CB 2.404 34.407 31.823 0.298 0.000 1.079 350 V HN 0.689 nan 8.190 nan 0.000 0.446 351 S N 1.166 116.999 115.700 0.221 0.000 2.538 351 S HA 0.798 5.275 4.470 0.011 0.000 0.288 351 S C -0.891 173.928 174.600 0.366 0.000 1.108 351 S CA -0.567 57.817 58.200 0.307 0.000 0.971 351 S CB 1.349 64.617 63.200 0.112 0.000 1.041 351 S HN 0.730 nan 8.310 nan 0.000 0.483 352 L N 3.029 124.492 121.223 0.400 0.000 2.298 352 L HA 0.571 4.917 4.340 0.011 0.000 0.284 352 L C 0.225 177.214 176.870 0.198 0.000 1.013 352 L CA -0.536 54.435 54.840 0.218 0.000 0.824 352 L CB 1.132 43.142 42.059 -0.081 0.000 1.221 352 L HN 0.439 nan 8.230 nan 0.000 0.418 353 R N 2.308 122.839 120.500 0.051 0.000 2.368 353 R HA 0.539 4.885 4.340 0.011 0.000 0.302 353 R C -0.697 175.601 176.300 -0.003 0.000 1.002 353 R CA -0.647 55.253 56.100 -0.334 0.000 0.929 353 R CB 1.515 31.502 30.300 -0.522 0.000 1.073 353 R HN 0.383 nan 8.270 nan 0.000 0.464 354 V N 3.427 123.299 119.914 -0.071 0.000 2.740 354 V HA 0.012 4.139 4.120 0.011 0.000 0.303 354 V C 1.279 177.315 176.094 -0.096 0.000 1.054 354 V CA 0.551 62.824 62.300 -0.046 0.000 1.106 354 V CB 1.395 33.128 31.823 -0.150 0.000 0.957 354 V HN 1.063 nan 8.190 nan 0.000 0.486 355 T N -1.035 113.442 114.554 -0.128 0.000 3.044 355 T HA 0.097 4.454 4.350 0.011 0.000 0.260 355 T C 0.600 175.278 174.700 -0.036 0.000 1.019 355 T CA -0.155 61.894 62.100 -0.086 0.000 0.921 355 T CB -0.078 68.722 68.868 -0.114 0.000 1.053 355 T HN 0.551 nan 8.240 nan 0.000 0.533 356 T N 5.180 119.748 114.554 0.024 0.000 2.834 356 T HA 0.291 4.648 4.350 0.011 0.000 0.298 356 T C -2.607 172.184 174.700 0.152 0.000 0.966 356 T CA -0.733 61.434 62.100 0.113 0.000 1.141 356 T CB 0.695 69.713 68.868 0.250 0.000 0.905 356 T HN 0.132 nan 8.240 nan 0.000 0.535 357 P HA 0.184 nan 4.420 nan 0.000 0.260 357 P C 0.957 178.280 177.300 0.038 0.000 1.185 357 P CA 0.898 64.028 63.100 0.049 0.000 0.763 357 P CB 0.190 31.907 31.700 0.028 0.000 0.776 358 G N 2.224 110.980 108.800 -0.074 0.000 2.179 358 G HA2 -0.268 3.698 3.960 0.011 0.000 0.220 358 G HA3 -0.268 3.698 3.960 0.011 0.000 0.220 358 G C 0.185 174.712 174.900 -0.623 0.000 0.990 358 G CA -0.304 44.601 45.100 -0.326 0.000 0.646 358 G HN 0.510 nan 8.290 nan 0.000 0.517 359 Y N 0.045 120.330 120.300 -0.025 0.000 2.791 359 Y HA 0.201 4.757 4.550 0.011 0.000 0.263 359 Y C 2.222 178.074 175.900 -0.080 0.000 1.089 359 Y CA 0.530 58.598 58.100 -0.053 0.000 1.253 359 Y CB 0.041 38.451 38.460 -0.083 0.000 1.360 359 Y HN 0.312 nan 8.280 nan 0.000 0.569 360 T N -2.824 111.754 114.554 0.039 0.000 3.118 360 T HA -0.173 4.184 4.350 0.011 0.000 0.269 360 T C 1.504 176.186 174.700 -0.030 0.000 1.166 360 T CA 1.709 63.803 62.100 -0.011 0.000 1.073 360 T CB -0.526 68.335 68.868 -0.012 0.000 0.884 360 T HN 0.447 nan 8.240 nan 0.000 0.550 361 T N -2.029 112.531 114.554 0.009 0.000 3.054 361 T HA 0.331 4.687 4.350 0.011 0.000 0.255 361 T C 0.667 175.441 174.700 0.124 0.000 1.035 361 T CA -0.802 61.340 62.100 0.071 0.000 0.941 361 T CB 0.173 69.093 68.868 0.088 0.000 1.026 361 T HN 0.353 nan 8.240 nan 0.000 0.533 362 R N 0.070 120.592 120.500 0.036 0.000 2.549 362 R HA 0.661 5.008 4.340 0.011 0.000 0.267 362 R C -1.233 175.051 176.300 -0.026 0.000 1.045 362 R CA -0.608 55.551 56.100 0.098 0.000 1.115 362 R CB 0.780 31.115 30.300 0.059 0.000 1.121 362 R HN 0.294 nan 8.270 nan 0.000 0.543 363 Y N -0.294 120.080 120.300 0.124 0.000 2.581 363 Y HA 0.372 4.928 4.550 0.011 0.000 0.345 363 Y C 0.119 176.106 175.900 0.144 0.000 1.036 363 Y CA -1.018 57.187 58.100 0.175 0.000 1.042 363 Y CB 1.637 40.254 38.460 0.261 0.000 1.289 363 Y HN 0.297 nan 8.280 nan 0.000 0.471 364 I N 2.824 123.567 120.570 0.289 0.000 2.505 364 I HA 0.341 4.518 4.170 0.011 0.000 0.287 364 I C 0.270 176.659 176.117 0.454 0.000 1.104 364 I CA 0.471 61.894 61.300 0.205 0.000 1.387 364 I CB -0.021 37.949 38.000 -0.049 0.000 1.404 364 I HN 0.718 nan 8.210 nan 0.000 0.528 365 A N 5.929 128.959 122.820 0.351 0.000 2.973 365 A HA 0.901 5.228 4.320 0.011 0.000 0.267 365 A C -1.070 176.744 177.584 0.384 0.000 1.210 365 A CA -0.311 51.940 52.037 0.355 0.000 0.749 365 A CB 1.494 20.553 19.000 0.098 0.000 1.373 365 A HN 0.837 nan 8.150 nan 0.000 0.585 366 H N -2.921 116.244 119.070 0.158 0.000 3.042 366 H HA 0.706 5.269 4.556 0.011 0.000 0.346 366 H C -1.534 173.818 175.328 0.040 0.000 1.294 366 H CA -0.136 55.981 56.048 0.115 0.000 1.141 366 H CB 1.236 31.118 29.762 0.200 0.000 1.872 366 H HN 0.349 nan 8.280 nan 0.000 0.541 367 T N 3.680 118.301 114.554 0.112 0.000 3.068 367 T HA 0.318 4.674 4.350 0.011 0.000 0.364 367 T C -0.775 174.015 174.700 0.149 0.000 1.161 367 T CA -0.221 61.905 62.100 0.044 0.000 1.155 367 T CB -0.154 68.720 68.868 0.011 0.000 1.060 367 T HN 0.768 nan 8.240 nan 0.000 0.513 368 D N 1.343 121.895 120.400 0.252 0.000 3.765 368 D HA -0.205 4.441 4.640 0.011 0.000 0.174 368 D C 1.595 177.993 176.300 0.163 0.000 1.131 368 D CA 1.756 55.862 54.000 0.177 0.000 1.081 368 D CB -1.111 39.735 40.800 0.077 0.000 0.584 368 D HN 0.596 nan 8.370 nan 0.000 0.662 369 T N -1.818 112.772 114.554 0.060 0.000 3.113 369 T HA 0.070 4.426 4.350 0.011 0.000 0.263 369 T C 0.814 175.525 174.700 0.019 0.000 1.143 369 T CA 1.208 63.317 62.100 0.015 0.000 1.090 369 T CB -0.385 68.474 68.868 -0.015 0.000 0.922 369 T HN 0.322 nan 8.240 nan 0.000 0.521 370 T N 2.986 117.571 114.554 0.051 0.000 2.737 370 T HA 0.459 4.815 4.350 0.011 0.000 0.296 370 T C -0.146 174.589 174.700 0.058 0.000 0.922 370 T CA -0.514 61.598 62.100 0.020 0.000 1.079 370 T CB 1.169 70.045 68.868 0.014 0.000 0.892 370 T HN 0.095 nan 8.240 nan 0.000 0.514 371 V N 6.003 125.904 119.914 -0.021 0.000 2.406 371 V HA 0.411 4.538 4.120 0.011 0.000 0.272 371 V C 0.162 176.212 176.094 -0.074 0.000 1.043 371 V CA -0.663 61.634 62.300 -0.005 0.000 0.915 371 V CB 0.436 32.169 31.823 -0.150 0.000 0.988 371 V HN 1.027 nan 8.190 nan 0.000 0.466 372 N N 2.519 121.225 118.700 0.010 0.000 3.278 372 N HA 0.660 5.407 4.740 0.011 0.000 0.307 372 N C -0.691 174.840 175.510 0.035 0.000 1.551 372 N CA -0.691 52.352 53.050 -0.012 0.000 0.794 372 N CB 1.519 40.006 38.487 0.000 0.000 1.770 372 N HN 0.510 nan 8.380 nan 0.000 0.612 373 T N -2.892 111.680 114.554 0.030 0.000 2.807 373 T HA 0.665 5.022 4.350 0.011 0.000 0.279 373 T C -0.836 173.899 174.700 0.058 0.000 0.993 373 T CA -0.642 61.488 62.100 0.050 0.000 0.970 373 T CB 1.201 70.056 68.868 -0.021 0.000 0.950 373 T HN 0.523 nan 8.240 nan 0.000 0.441 374 Q N 1.342 121.198 119.800 0.092 0.000 2.456 374 Q HA 0.564 4.911 4.340 0.011 0.000 0.283 374 Q C -1.106 174.960 176.000 0.110 0.000 1.084 374 Q CA -1.257 54.588 55.803 0.069 0.000 0.801 374 Q CB 2.958 31.708 28.738 0.020 0.000 1.434 374 Q HN 0.599 nan 8.270 nan 0.000 0.419 375 V N 2.191 122.150 119.914 0.074 0.000 2.439 375 V HA 0.167 4.294 4.120 0.011 0.000 0.271 375 V C -0.386 175.715 176.094 0.011 0.000 1.040 375 V CA -0.026 62.329 62.300 0.091 0.000 1.002 375 V CB 0.602 32.456 31.823 0.051 0.000 1.000 375 V HN 0.437 nan 8.190 nan 0.000 0.477 376 V N 5.595 125.520 119.914 0.019 0.000 2.540 376 V HA 0.692 4.819 4.120 0.011 0.000 0.302 376 V C -0.462 175.387 176.094 -0.408 0.000 1.035 376 V CA -0.619 61.458 62.300 -0.371 0.000 0.873 376 V CB 1.949 33.337 31.823 -0.725 0.000 0.992 376 V HN 1.091 nan 8.190 nan 0.000 0.428 377 D N 1.032 121.166 120.400 -0.443 0.000 2.812 377 D HA 0.330 4.977 4.640 0.011 0.000 0.318 377 D C 0.228 176.432 176.300 -0.160 0.000 1.234 377 D CA -0.608 53.298 54.000 -0.156 0.000 0.989 377 D CB 0.683 41.479 40.800 -0.007 0.000 1.442 377 D HN 0.195 nan 8.370 nan 0.000 0.537 378 D N -0.641 119.769 120.400 0.018 0.000 2.263 378 D HA -0.096 4.551 4.640 0.011 0.000 0.208 378 D C 0.557 176.833 176.300 -0.040 0.000 0.971 378 D CA 0.937 54.948 54.000 0.018 0.000 0.867 378 D CB -0.060 40.769 40.800 0.049 0.000 0.929 378 D HN 0.361 nan 8.370 nan 0.000 0.492 379 D N 0.290 120.655 120.400 -0.058 0.000 2.347 379 D HA 0.013 4.660 4.640 0.011 0.000 0.213 379 D C 0.408 176.651 176.300 -0.096 0.000 0.985 379 D CA 0.214 54.177 54.000 -0.062 0.000 0.879 379 D CB 0.204 40.977 40.800 -0.046 0.000 0.919 379 D HN -0.033 nan 8.370 nan 0.000 0.526 380 S N 0.805 116.411 115.700 -0.155 0.000 2.568 380 S HA 0.115 4.591 4.470 0.011 0.000 0.282 380 S C 0.800 175.304 174.600 -0.160 0.000 1.338 380 S CA -0.501 57.583 58.200 -0.193 0.000 1.045 380 S CB 1.005 64.005 63.200 -0.333 0.000 0.873 380 S HN 0.273 nan 8.310 nan 0.000 0.516 381 S N 1.457 117.073 115.700 -0.140 0.000 2.589 381 S HA 0.075 4.551 4.470 0.011 0.000 0.265 381 S C 1.628 176.152 174.600 -0.126 0.000 1.342 381 S CA -0.007 58.126 58.200 -0.112 0.000 1.005 381 S CB 0.310 63.451 63.200 -0.098 0.000 0.909 381 S HN 0.831 nan 8.310 nan 0.000 0.555 382 T N -1.570 112.926 114.554 -0.096 0.000 2.867 382 T HA -0.102 4.255 4.350 0.011 0.000 0.268 382 T C 1.702 176.337 174.700 -0.108 0.000 1.057 382 T CA 1.617 63.663 62.100 -0.090 0.000 1.136 382 T CB -1.316 67.513 68.868 -0.064 0.000 0.874 382 T HN 0.651 nan 8.240 nan 0.000 0.466 383 T N 2.135 116.623 114.554 -0.109 0.000 2.777 383 T HA 0.054 4.410 4.350 0.011 0.000 0.266 383 T C 1.728 176.326 174.700 -0.170 0.000 1.040 383 T CA 1.170 63.197 62.100 -0.122 0.000 1.141 383 T CB -0.435 68.370 68.868 -0.104 0.000 0.868 383 T HN 0.256 nan 8.240 nan 0.000 0.444 384 L N 1.155 122.268 121.223 -0.184 0.000 2.109 384 L HA 0.136 4.482 4.340 0.011 0.000 0.207 384 L C 2.061 178.773 176.870 -0.263 0.000 1.086 384 L CA 1.704 56.407 54.840 -0.228 0.000 0.760 384 L CB -0.534 41.394 42.059 -0.218 0.000 0.910 384 L HN 0.045 nan 8.230 nan 0.000 0.437 385 K N -0.378 119.871 120.400 -0.251 0.000 2.147 385 K HA -0.180 4.147 4.320 0.011 0.000 0.205 385 K C 1.968 178.479 176.600 -0.149 0.000 1.049 385 K CA 1.771 57.920 56.287 -0.229 0.000 0.936 385 K CB -0.062 32.354 32.500 -0.139 0.000 0.722 385 K HN 0.481 nan 8.250 nan 0.000 0.446 386 E N 0.654 120.751 120.200 -0.172 0.000 2.112 386 E HA -0.125 4.232 4.350 0.011 0.000 0.190 386 E C 1.619 178.033 176.600 -0.310 0.000 0.979 386 E CA 0.711 56.994 56.400 -0.195 0.000 0.814 386 E CB 0.198 29.809 29.700 -0.149 0.000 0.762 386 E HN 0.299 nan 8.360 nan 0.000 0.460 387 E N 0.133 120.140 120.200 -0.321 0.000 2.338 387 E HA -0.111 4.246 4.350 0.011 0.000 0.197 387 E C 1.299 177.657 176.600 -0.404 0.000 1.007 387 E CA 0.726 56.858 56.400 -0.446 0.000 0.849 387 E CB 0.117 29.449 29.700 -0.614 0.000 0.774 387 E HN 0.137 nan 8.360 nan 0.000 0.506 388 A N 0.558 123.198 122.820 -0.299 0.000 2.387 388 A HA 0.200 4.527 4.320 0.011 0.000 0.234 388 A C 0.419 177.900 177.584 -0.172 0.000 1.253 388 A CA -0.229 51.747 52.037 -0.102 0.000 0.894 388 A CB 0.638 19.636 19.000 -0.003 0.000 0.963 388 A HN -0.043 nan 8.150 nan 0.000 0.508 389 S N -0.375 115.037 115.700 -0.480 0.000 2.454 389 S HA 0.574 5.050 4.470 0.011 0.000 0.306 389 S C -1.358 172.858 174.600 -0.640 0.000 1.100 389 S CA -0.345 57.651 58.200 -0.339 0.000 1.087 389 S CB 0.530 63.633 63.200 -0.162 0.000 1.019 389 S HN 0.452 nan 8.310 nan 0.000 0.480 390 W N 1.045 122.400 121.300 0.091 0.000 2.739 390 W HA 0.396 5.062 4.660 0.011 0.000 0.331 390 W C -0.285 176.269 176.519 0.058 0.000 1.049 390 W CA -0.725 56.681 57.345 0.101 0.000 1.234 390 W CB 1.193 30.766 29.460 0.188 0.000 1.404 390 W HN 0.324 nan 8.180 nan 0.000 0.477 391 T N 2.975 117.664 114.554 0.224 0.000 2.728 391 T HA 0.310 4.666 4.350 0.011 0.000 0.296 391 T C -0.075 174.644 174.700 0.032 0.000 0.940 391 T CA -0.457 61.697 62.100 0.091 0.000 1.013 391 T CB 0.377 69.266 68.868 0.035 0.000 0.912 391 T HN 0.126 nan 8.240 nan 0.000 0.484 392 V N 5.584 125.443 119.914 -0.091 0.000 2.488 392 V HA 0.429 4.556 4.120 0.011 0.000 0.277 392 V C 0.522 176.541 176.094 -0.125 0.000 1.046 392 V CA -0.438 61.654 62.300 -0.347 0.000 0.986 392 V CB 0.648 32.133 31.823 -0.563 0.000 0.989 392 V HN 0.765 nan 8.190 nan 0.000 0.475 393 V N 1.698 121.572 119.914 -0.066 0.000 3.074 393 V HA 0.638 4.764 4.120 0.011 0.000 0.314 393 V C 0.079 176.235 176.094 0.103 0.000 1.117 393 V CA -0.786 61.555 62.300 0.068 0.000 1.014 393 V CB 1.770 33.670 31.823 0.128 0.000 1.057 393 V HN 0.708 nan 8.190 nan 0.000 0.438 394 T N 2.632 117.218 114.554 0.054 0.000 2.866 394 T HA 0.300 4.657 4.350 0.011 0.000 0.293 394 T C 0.887 175.483 174.700 -0.174 0.000 1.005 394 T CA 0.859 62.913 62.100 -0.076 0.000 1.162 394 T CB 0.128 68.938 68.868 -0.096 0.000 0.968 394 T HN 1.513 nan 8.240 nan 0.000 0.530 395 G N 2.974 111.596 108.800 -0.296 0.000 2.109 395 G HA2 0.015 3.982 3.960 0.011 0.000 0.249 395 G HA3 0.015 3.982 3.960 0.011 0.000 0.249 395 G C 1.117 175.809 174.900 -0.348 0.000 1.126 395 G CA -0.459 44.457 45.100 -0.306 0.000 0.923 395 G HN 0.866 nan 8.290 nan 0.000 0.439 396 L N 2.163 123.169 121.223 -0.363 0.000 2.191 396 L HA -0.130 4.217 4.340 0.011 0.000 0.212 396 L C 2.828 179.385 176.870 -0.522 0.000 1.103 396 L CA 1.618 56.158 54.840 -0.500 0.000 0.769 396 L CB -0.140 41.605 42.059 -0.522 0.000 0.908 396 L HN 0.678 nan 8.230 nan 0.000 0.438 397 A N -1.901 120.620 122.820 -0.498 0.000 2.229 397 A HA 0.106 4.433 4.320 0.011 0.000 0.211 397 A C 0.661 177.759 177.584 -0.810 0.000 1.193 397 A CA -0.043 51.633 52.037 -0.602 0.000 0.879 397 A CB 0.234 18.822 19.000 -0.687 0.000 0.911 397 A HN 0.355 nan 8.150 nan 0.000 0.492 398 N N -0.200 118.049 118.700 -0.750 0.000 2.478 398 N HA 0.060 4.806 4.740 0.011 0.000 0.291 398 N C 0.506 175.753 175.510 -0.439 0.000 1.090 398 N CA 0.657 53.319 53.050 -0.647 0.000 0.911 398 N CB 1.821 39.755 38.487 -0.922 0.000 1.546 398 N HN 0.045 nan 8.380 nan 0.000 0.500 399 S N 2.584 118.094 115.700 -0.317 0.000 2.500 399 S HA -0.119 4.357 4.470 0.011 0.000 0.239 399 S C 1.219 175.637 174.600 -0.303 0.000 0.989 399 S CA 0.878 58.916 58.200 -0.271 0.000 0.951 399 S CB 0.005 63.098 63.200 -0.179 0.000 0.759 399 S HN 0.683 nan 8.310 nan 0.000 0.523 400 Q N -0.252 119.380 119.800 -0.280 0.000 2.212 400 Q HA 0.102 4.448 4.340 0.011 0.000 0.199 400 Q C 0.932 176.662 176.000 -0.450 0.000 0.950 400 Q CA 0.817 56.467 55.803 -0.255 0.000 0.863 400 Q CB -0.018 28.657 28.738 -0.104 0.000 0.944 400 Q HN 0.633 nan 8.270 nan 0.000 0.465 401 c N -0.862 117.449 118.600 -0.482 0.000 2.370 401 c HA 0.575 5.152 4.570 0.011 0.000 0.371 401 c C 0.016 173.560 174.090 -0.910 0.000 2.631 401 c CA -0.725 55.297 56.329 -0.512 0.000 1.819 401 c CB 0.054 42.496 42.510 -0.114 0.000 2.131 401 c HN 0.175 nan 8.230 nan 0.000 0.400 402 F N -0.712 119.230 119.950 -0.014 0.000 2.664 402 F HA 0.556 5.091 4.527 0.013 0.000 0.317 402 F C 0.023 175.736 175.800 -0.145 0.000 1.108 402 F CA -0.492 57.413 58.000 -0.158 0.000 0.957 402 F CB 1.204 40.006 39.000 -0.331 0.000 1.365 402 F HN 0.339 nan 8.300 nan 0.000 0.475 403 S N 0.361 116.022 115.700 -0.066 0.000 2.536 403 S HA 0.669 5.145 4.470 0.011 0.000 0.287 403 S C -1.544 172.993 174.600 -0.104 0.000 1.101 403 S CA -0.621 57.620 58.200 0.069 0.000 0.950 403 S CB 1.198 64.411 63.200 0.021 0.000 1.056 403 S HN 0.360 nan 8.310 nan 0.000 0.481 404 F N 1.918 122.062 119.950 0.324 0.000 2.361 404 F HA 0.384 4.918 4.527 0.012 0.000 0.364 404 F C 0.614 176.605 175.800 0.318 0.000 1.117 404 F CA -0.583 57.540 58.000 0.205 0.000 1.071 404 F CB 0.948 39.888 39.000 -0.100 0.000 1.188 404 F HN 0.536 nan 8.300 nan 0.000 0.464 405 E N 2.291 122.664 120.200 0.289 0.000 2.249 405 E HA 0.245 4.601 4.350 0.011 0.000 0.280 405 E C -0.302 176.428 176.600 0.216 0.000 1.016 405 E CA -0.539 55.807 56.400 -0.089 0.000 0.830 405 E CB 1.272 30.694 29.700 -0.465 0.000 1.081 405 E HN 0.511 nan 8.360 nan 0.000 0.395 406 S N 3.133 118.916 115.700 0.138 0.000 2.533 406 S HA 0.011 4.488 4.470 0.011 0.000 0.282 406 S C 1.054 175.563 174.600 -0.150 0.000 1.304 406 S CA -0.597 57.568 58.200 -0.059 0.000 1.063 406 S CB 0.955 64.105 63.200 -0.084 0.000 0.881 406 S HN 0.495 nan 8.310 nan 0.000 0.493 407 V N 4.836 124.600 119.914 -0.249 0.000 2.323 407 V HA -0.105 4.022 4.120 0.011 0.000 0.244 407 V C 2.401 178.421 176.094 -0.123 0.000 1.041 407 V CA 2.155 64.356 62.300 -0.164 0.000 1.025 407 V CB -0.680 31.032 31.823 -0.186 0.000 0.656 407 V HN 1.015 nan 8.190 nan 0.000 0.451 408 D N -0.551 119.774 120.400 -0.124 0.000 2.178 408 D HA -0.124 4.522 4.640 0.011 0.000 0.202 408 D C 0.903 177.179 176.300 -0.039 0.000 0.974 408 D CA 1.307 55.267 54.000 -0.067 0.000 0.841 408 D CB -0.234 40.536 40.800 -0.049 0.000 0.953 408 D HN 0.464 nan 8.370 nan 0.000 0.478 409 T N 2.736 117.265 114.554 -0.042 0.000 3.378 409 T HA 0.340 4.696 4.350 0.011 0.000 0.359 409 T C -2.585 172.071 174.700 -0.073 0.000 1.815 409 T CA -1.257 60.817 62.100 -0.043 0.000 1.509 409 T CB 1.390 70.235 68.868 -0.038 0.000 1.049 409 T HN -0.000 nan 8.240 nan 0.000 0.705 410 P HA 0.218 nan 4.420 nan 0.000 0.267 410 P C 1.204 178.451 177.300 -0.089 0.000 1.201 410 P CA 1.087 64.131 63.100 -0.093 0.000 0.775 410 P CB 0.342 32.005 31.700 -0.061 0.000 0.854 411 G N 0.403 109.126 108.800 -0.127 0.000 2.217 411 G HA2 -0.204 3.763 3.960 0.011 0.000 0.246 411 G HA3 -0.204 3.763 3.960 0.011 0.000 0.246 411 G C 0.237 175.134 174.900 -0.006 0.000 0.990 411 G CA 0.073 45.152 45.100 -0.035 0.000 0.627 411 G HN 0.605 nan 8.290 nan 0.000 0.522 412 S N -0.456 115.178 115.700 -0.111 0.000 2.537 412 S HA 0.848 5.325 4.470 0.011 0.000 0.301 412 S C -0.812 173.763 174.600 -0.041 0.000 1.092 412 S CA -0.500 57.732 58.200 0.053 0.000 1.048 412 S CB 1.643 64.862 63.200 0.031 0.000 1.053 412 S HN 0.378 nan 8.310 nan 0.000 0.501 413 Y N 0.026 120.524 120.300 0.329 0.000 2.634 413 Y HA 0.532 5.089 4.550 0.012 0.000 0.340 413 Y C -0.017 176.025 175.900 0.237 0.000 1.058 413 Y CA -1.188 57.109 58.100 0.329 0.000 1.081 413 Y CB 0.933 39.610 38.460 0.361 0.000 1.295 413 Y HN 0.447 nan 8.280 nan 0.000 0.487 414 I N 3.172 123.949 120.570 0.345 0.000 2.452 414 I HA 0.261 4.437 4.170 0.011 0.000 0.287 414 I C -0.472 175.778 176.117 0.223 0.000 1.079 414 I CA 0.009 61.385 61.300 0.126 0.000 1.387 414 I CB 0.427 38.370 38.000 -0.095 0.000 1.404 414 I HN 0.577 nan 8.210 nan 0.000 0.522 415 R N 4.264 124.813 120.500 0.081 0.000 2.771 415 R HA 0.521 4.868 4.340 0.011 0.000 0.274 415 R C -1.053 175.279 176.300 0.054 0.000 0.987 415 R CA -0.999 55.105 56.100 0.007 0.000 0.908 415 R CB 0.771 30.882 30.300 -0.315 0.000 1.213 415 R HN 0.601 nan 8.270 nan 0.000 0.468 416 H N -0.225 118.910 119.070 0.109 0.000 2.489 416 H HA 0.521 5.084 4.556 0.011 0.000 0.322 416 H C -1.507 173.847 175.328 0.044 0.000 1.091 416 H CA -0.868 55.225 56.048 0.077 0.000 1.291 416 H CB 1.113 30.965 29.762 0.149 0.000 1.436 416 H HN 0.690 nan 8.280 nan 0.000 0.480 417 Y N 3.483 123.778 120.300 -0.009 0.000 2.346 417 Y HA 0.226 4.783 4.550 0.011 0.000 0.332 417 Y C -0.159 175.689 175.900 -0.088 0.000 0.985 417 Y CA -0.981 57.071 58.100 -0.081 0.000 1.112 417 Y CB 1.035 39.461 38.460 -0.057 0.000 1.170 417 Y HN 0.998 nan 8.280 nan 0.000 0.447 418 N N 5.862 124.277 118.700 -0.475 0.000 2.708 418 N HA -0.286 4.461 4.740 0.011 0.000 0.249 418 N C -0.317 175.119 175.510 -0.123 0.000 1.097 418 N CA 1.804 54.614 53.050 -0.399 0.000 0.710 418 N CB -1.018 37.411 38.487 -0.097 0.000 1.032 418 N HN 0.854 nan 8.380 nan 0.000 0.551 419 F N -2.156 117.854 119.950 0.099 0.000 2.840 419 F HA -0.247 4.286 4.527 0.011 0.000 0.310 419 F C 0.765 176.593 175.800 0.046 0.000 0.688 419 F CA 0.756 58.812 58.000 0.093 0.000 1.286 419 F CB -1.766 37.361 39.000 0.212 0.000 1.612 419 F HN 0.169 nan 8.300 nan 0.000 0.335 420 E N 0.724 121.027 120.200 0.172 0.000 2.214 420 E HA 0.585 4.942 4.350 0.011 0.000 0.274 420 E C -0.108 176.455 176.600 -0.062 0.000 0.977 420 E CA -0.919 55.472 56.400 -0.014 0.000 0.827 420 E CB 1.396 31.105 29.700 0.015 0.000 1.130 420 E HN 0.092 nan 8.360 nan 0.000 0.394 421 L N 4.470 125.539 121.223 -0.257 0.000 2.260 421 L HA 0.384 4.730 4.340 0.011 0.000 0.289 421 L C -0.378 176.380 176.870 -0.188 0.000 1.057 421 L CA -0.221 54.470 54.840 -0.249 0.000 0.811 421 L CB 0.185 41.934 42.059 -0.516 0.000 1.184 421 L HN 0.323 nan 8.230 nan 0.000 0.429 422 L N 3.885 125.055 121.223 -0.088 0.000 2.323 422 L HA 0.509 4.856 4.340 0.011 0.000 0.265 422 L C -0.660 176.202 176.870 -0.013 0.000 1.012 422 L CA -0.963 53.845 54.840 -0.052 0.000 0.820 422 L CB 2.457 44.493 42.059 -0.038 0.000 1.334 422 L HN 0.357 nan 8.230 nan 0.000 0.427 423 L N 2.566 123.787 121.223 -0.002 0.000 2.272 423 L HA 0.486 4.832 4.340 0.011 0.000 0.284 423 L C -0.733 176.174 176.870 0.061 0.000 1.045 423 L CA 0.170 55.025 54.840 0.025 0.000 0.842 423 L CB -0.010 41.978 42.059 -0.118 0.000 1.224 423 L HN 0.481 nan 8.230 nan 0.000 0.430 424 N N 3.127 121.940 118.700 0.189 0.000 2.453 424 N HA 0.696 5.442 4.740 0.011 0.000 0.290 424 N C -0.887 174.787 175.510 0.274 0.000 1.250 424 N CA -0.472 52.712 53.050 0.222 0.000 0.815 424 N CB 1.927 40.605 38.487 0.317 0.000 1.381 424 N HN 0.605 nan 8.380 nan 0.000 0.510 425 A N 0.790 123.659 122.820 0.081 0.000 2.328 425 A HA 0.214 4.541 4.320 0.011 0.000 0.284 425 A C 0.309 177.628 177.584 -0.441 0.000 1.160 425 A CA -0.370 51.639 52.037 -0.047 0.000 0.818 425 A CB -0.320 18.639 19.000 -0.068 0.000 1.087 425 A HN 0.618 nan 8.150 nan 0.000 0.504 426 N N 1.807 120.249 118.700 -0.430 0.000 2.417 426 N HA -0.002 4.745 4.740 0.011 0.000 0.272 426 N C -0.030 175.091 175.510 -0.649 0.000 1.304 426 N CA 0.433 52.905 53.050 -0.962 0.000 0.906 426 N CB 0.559 38.965 38.487 -0.136 0.000 1.135 426 N HN 0.582 nan 8.380 nan 0.000 0.483 427 D N 2.122 122.046 120.400 -0.792 0.000 2.358 427 D HA 0.204 4.850 4.640 0.011 0.000 0.224 427 D C 1.268 177.426 176.300 -0.237 0.000 1.123 427 D CA 0.098 53.885 54.000 -0.355 0.000 0.833 427 D CB -0.387 40.260 40.800 -0.255 0.000 0.946 427 D HN 0.603 nan 8.370 nan 0.000 0.505 428 G N 0.396 109.064 108.800 -0.219 0.000 2.257 428 G HA2 -0.344 3.623 3.960 0.011 0.000 0.267 428 G HA3 -0.344 3.623 3.960 0.011 0.000 0.267 428 G C 0.675 175.339 174.900 -0.393 0.000 0.984 428 G CA 0.937 45.949 45.100 -0.146 0.000 0.626 428 G HN 0.834 nan 8.290 nan 0.000 0.540 429 T N -1.866 112.482 114.554 -0.343 0.000 2.868 429 T HA 0.524 4.880 4.350 0.011 0.000 0.292 429 T C 1.362 175.754 174.700 -0.513 0.000 1.028 429 T CA 0.646 62.552 62.100 -0.322 0.000 1.059 429 T CB 1.870 70.660 68.868 -0.130 0.000 0.991 429 T HN 0.434 nan 8.240 nan 0.000 0.531 430 K N 0.560 120.765 120.400 -0.325 0.000 2.032 430 K HA -0.243 4.083 4.320 0.011 0.000 0.209 430 K C 2.338 178.884 176.600 -0.089 0.000 1.048 430 K CA 1.677 57.842 56.287 -0.204 0.000 0.927 430 K CB -0.319 32.104 32.500 -0.127 0.000 0.712 430 K HN 0.679 nan 8.250 nan 0.000 0.441 431 Q N 0.407 120.170 119.800 -0.062 0.000 2.045 431 Q HA -0.230 4.117 4.340 0.011 0.000 0.206 431 Q C 1.835 177.836 176.000 0.003 0.000 0.991 431 Q CA 2.346 58.142 55.803 -0.013 0.000 0.851 431 Q CB -0.648 28.093 28.738 0.004 0.000 0.911 431 Q HN 0.448 nan 8.270 nan 0.000 0.418 432 F N 0.105 120.000 119.950 -0.093 0.000 2.069 432 F HA -0.252 4.281 4.527 0.010 0.000 0.298 432 F C 2.065 177.864 175.800 -0.002 0.000 1.113 432 F CA 2.392 60.361 58.000 -0.051 0.000 1.214 432 F CB -0.516 38.452 39.000 -0.054 0.000 0.978 432 F HN 0.323 nan 8.300 nan 0.000 0.474 433 H N -0.457 118.653 119.070 0.066 0.000 2.321 433 H HA -0.209 4.354 4.556 0.011 0.000 0.295 433 H C 2.088 177.294 175.328 -0.202 0.000 1.102 433 H CA 1.640 57.639 56.048 -0.082 0.000 1.266 433 H CB -0.218 29.491 29.762 -0.088 0.000 1.363 433 H HN 0.449 nan 8.280 nan 0.000 0.492 434 E N 0.283 120.487 120.200 0.006 0.000 2.107 434 E HA -0.125 4.231 4.350 0.011 0.000 0.191 434 E C 1.401 177.980 176.600 -0.034 0.000 0.982 434 E CA 0.814 57.245 56.400 0.052 0.000 0.809 434 E CB 0.091 29.915 29.700 0.207 0.000 0.756 434 E HN 0.480 nan 8.360 nan 0.000 0.459 435 D N 0.176 120.436 120.400 -0.233 0.000 2.348 435 D HA -0.027 4.619 4.640 0.011 0.000 0.216 435 D C 0.912 176.918 176.300 -0.489 0.000 0.970 435 D CA 0.518 54.183 54.000 -0.558 0.000 0.889 435 D CB 0.289 40.698 40.800 -0.652 0.000 0.912 435 D HN 0.121 nan 8.370 nan 0.000 0.524 436 A N -0.168 122.391 122.820 -0.434 0.000 2.564 436 A HA 0.242 4.569 4.320 0.011 0.000 0.279 436 A C 0.474 177.917 177.584 -0.236 0.000 1.232 436 A CA -0.222 51.645 52.037 -0.285 0.000 0.950 436 A CB 0.332 19.079 19.000 -0.422 0.000 1.138 436 A HN -0.055 nan 8.150 nan 0.000 0.526 437 T N 0.577 114.862 114.554 -0.450 0.000 2.771 437 T HA 0.657 5.014 4.350 0.011 0.000 0.281 437 T C -1.089 173.314 174.700 -0.495 0.000 0.982 437 T CA 0.077 61.980 62.100 -0.328 0.000 0.978 437 T CB 0.500 69.180 68.868 -0.314 0.000 0.930 437 T HN 0.158 nan 8.240 nan 0.000 0.447 438 F N 0.969 121.078 119.950 0.266 0.000 2.565 438 F HA 0.526 5.060 4.527 0.012 0.000 0.313 438 F C -0.122 175.857 175.800 0.298 0.000 1.091 438 F CA -1.098 57.092 58.000 0.317 0.000 0.915 438 F CB 1.432 40.647 39.000 0.358 0.000 1.208 438 F HN 0.441 nan 8.300 nan 0.000 0.453 439 c N 3.247 122.111 118.600 0.439 0.000 2.298 439 c HA 0.512 5.088 4.570 0.011 0.000 0.323 439 c C -2.458 171.862 174.090 0.384 0.000 1.284 439 c CA -1.712 54.835 56.329 0.364 0.000 1.577 439 c CB 1.105 43.764 42.510 0.248 0.000 2.249 439 c HN 0.424 nan 8.230 nan 0.000 0.497 440 P HA 0.168 nan 4.420 nan 0.000 0.267 440 P C -0.682 176.782 177.300 0.274 0.000 1.205 440 P CA 0.437 63.763 63.100 0.377 0.000 0.765 440 P CB 0.375 32.326 31.700 0.419 0.000 0.828 441 Q N 2.483 122.429 119.800 0.243 0.000 2.347 441 Q HA 0.614 4.961 4.340 0.011 0.000 0.271 441 Q C -0.898 175.184 176.000 0.136 0.000 1.064 441 Q CA -1.108 54.820 55.803 0.207 0.000 0.800 441 Q CB 1.925 30.835 28.738 0.288 0.000 1.304 441 Q HN 0.481 nan 8.270 nan 0.000 0.438 442 A N 2.196 125.074 122.820 0.098 0.000 2.580 442 A HA 0.347 4.674 4.320 0.011 0.000 0.244 442 A C 0.317 177.920 177.584 0.031 0.000 1.045 442 A CA 0.714 52.782 52.037 0.052 0.000 0.761 442 A CB -0.218 18.809 19.000 0.045 0.000 0.962 442 A HN 0.819 nan 8.150 nan 0.000 0.512 443 A N 2.556 125.380 122.820 0.007 0.000 2.587 443 A HA 0.220 4.546 4.320 0.011 0.000 0.235 443 A C 1.215 178.767 177.584 -0.052 0.000 1.044 443 A CA 0.386 52.404 52.037 -0.033 0.000 0.754 443 A CB -0.198 18.776 19.000 -0.043 0.000 0.968 443 A HN 0.984 nan 8.150 nan 0.000 0.509 444 L N 1.551 122.714 121.223 -0.099 0.000 2.156 444 L HA -0.115 4.232 4.340 0.011 0.000 0.208 444 L C 2.014 178.842 176.870 -0.071 0.000 1.095 444 L CA 1.383 56.171 54.840 -0.088 0.000 0.770 444 L CB -0.541 41.443 42.059 -0.124 0.000 0.914 444 L HN 0.966 nan 8.230 nan 0.000 0.439 445 N N 0.284 118.930 118.700 -0.090 0.000 2.383 445 N HA 0.015 4.762 4.740 0.011 0.000 0.192 445 N C 1.245 176.723 175.510 -0.053 0.000 1.141 445 N CA 0.774 53.781 53.050 -0.072 0.000 0.851 445 N CB 0.378 38.809 38.487 -0.092 0.000 0.976 445 N HN 0.261 nan 8.380 nan 0.000 0.465 446 G N -0.233 108.539 108.800 -0.046 0.000 2.205 446 G HA2 -0.294 3.672 3.960 0.011 0.000 0.261 446 G HA3 -0.294 3.672 3.960 0.011 0.000 0.261 446 G C -0.458 174.424 174.900 -0.031 0.000 0.980 446 G CA 0.273 45.354 45.100 -0.031 0.000 0.632 446 G HN 0.537 nan 8.290 nan 0.000 0.533 447 E N 0.721 120.894 120.200 -0.044 0.000 2.070 447 E HA 0.492 4.848 4.350 0.011 0.000 0.261 447 E C 1.001 177.582 176.600 -0.032 0.000 0.926 447 E CA 0.043 56.420 56.400 -0.038 0.000 0.760 447 E CB 0.889 30.561 29.700 -0.046 0.000 1.133 447 E HN 1.266 nan 8.360 nan 0.000 0.420 448 G N 2.814 111.604 108.800 -0.017 0.000 2.554 448 G HA2 -0.263 3.704 3.960 0.011 0.000 0.253 448 G HA3 -0.263 3.704 3.960 0.011 0.000 0.253 448 G C -0.026 174.876 174.900 0.004 0.000 1.172 448 G CA -0.030 45.069 45.100 -0.002 0.000 0.950 448 G HN 0.561 nan 8.290 nan 0.000 0.557 449 T N -0.643 113.938 114.554 0.046 0.000 2.916 449 T HA 0.679 5.036 4.350 0.011 0.000 0.292 449 T C -0.799 173.973 174.700 0.120 0.000 1.064 449 T CA 0.671 62.814 62.100 0.071 0.000 1.011 449 T CB 1.668 70.582 68.868 0.076 0.000 1.152 449 T HN 1.189 nan 8.240 nan 0.000 0.510 450 S N 2.620 118.398 115.700 0.129 0.000 2.707 450 S HA 0.479 4.956 4.470 0.011 0.000 0.312 450 S C -0.513 174.254 174.600 0.279 0.000 1.116 450 S CA -0.617 57.678 58.200 0.159 0.000 1.078 450 S CB 0.459 63.660 63.200 0.002 0.000 0.997 450 S HN 0.586 nan 8.310 nan 0.000 0.477 451 L N 3.888 125.229 121.223 0.197 0.000 2.407 451 L HA 0.386 4.733 4.340 0.011 0.000 0.282 451 L C 0.796 177.892 176.870 0.376 0.000 1.110 451 L CA -0.132 54.762 54.840 0.090 0.000 0.863 451 L CB -0.004 41.610 42.059 -0.741 0.000 1.207 451 L HN 0.421 nan 8.230 nan 0.000 0.454 452 R N 2.400 123.133 120.500 0.388 0.000 2.297 452 R HA 0.241 4.587 4.340 0.011 0.000 0.308 452 R C 0.109 176.596 176.300 0.311 0.000 1.029 452 R CA -0.321 55.848 56.100 0.116 0.000 0.929 452 R CB 1.421 31.673 30.300 -0.081 0.000 1.046 452 R HN 0.593 nan 8.270 nan 0.000 0.461 453 S N 3.295 119.166 115.700 0.285 0.000 2.533 453 S HA -0.060 4.417 4.470 0.011 0.000 0.282 453 S C 0.700 175.343 174.600 0.072 0.000 1.304 453 S CA -0.403 57.979 58.200 0.303 0.000 1.063 453 S CB 0.447 63.804 63.200 0.262 0.000 0.881 453 S HN 0.745 nan 8.310 nan 0.000 0.493 454 W N 4.212 125.425 121.300 -0.144 0.000 2.443 454 W HA -0.037 4.629 4.660 0.010 0.000 0.296 454 W C 2.381 178.791 176.519 -0.181 0.000 1.202 454 W CA 1.336 58.552 57.345 -0.216 0.000 1.312 454 W CB -0.623 28.717 29.460 -0.201 0.000 1.120 454 W HN 0.853 nan 8.180 nan 0.000 0.536 455 S N -1.527 114.218 115.700 0.075 0.000 2.461 455 S HA -0.064 4.412 4.470 0.011 0.000 0.228 455 S C 0.242 174.797 174.600 -0.074 0.000 1.005 455 S CA 0.546 58.726 58.200 -0.034 0.000 0.942 455 S CB -0.614 62.781 63.200 0.325 0.000 0.776 455 S HN 0.263 nan 8.310 nan 0.000 0.514 456 Y N 2.135 122.433 120.300 -0.003 0.000 2.511 456 Y HA 0.400 4.957 4.550 0.012 0.000 0.356 456 Y C -2.021 173.809 175.900 -0.116 0.000 1.002 456 Y CA -2.238 55.861 58.100 -0.002 0.000 1.127 456 Y CB 1.378 39.846 38.460 0.013 0.000 1.137 456 Y HN 0.134 nan 8.280 nan 0.000 0.652 457 P HA -0.218 nan 4.420 nan 0.000 0.223 457 P C 1.210 178.402 177.300 -0.181 0.000 1.140 457 P CA 1.749 64.701 63.100 -0.247 0.000 0.783 457 P CB 0.019 31.491 31.700 -0.379 0.000 0.759 458 T N -4.402 110.123 114.554 -0.049 0.000 3.129 458 T HA 0.145 4.502 4.350 0.011 0.000 0.251 458 T C 0.892 175.599 174.700 0.011 0.000 1.117 458 T CA -0.148 61.950 62.100 -0.004 0.000 1.034 458 T CB -0.105 68.780 68.868 0.030 0.000 0.968 458 T HN 0.112 nan 8.240 nan 0.000 0.526 459 R N -0.115 120.348 120.500 -0.061 0.000 2.740 459 R HA 0.673 5.020 4.340 0.011 0.000 0.282 459 R C -1.506 174.761 176.300 -0.055 0.000 0.969 459 R CA -0.782 55.341 56.100 0.038 0.000 0.918 459 R CB 1.578 31.891 30.300 0.023 0.000 1.175 459 R HN 0.261 nan 8.270 nan 0.000 0.464 460 Y N 0.178 120.640 120.300 0.270 0.000 2.634 460 Y HA 0.395 4.952 4.550 0.011 0.000 0.340 460 Y C -0.219 175.854 175.900 0.288 0.000 1.058 460 Y CA -1.028 57.246 58.100 0.290 0.000 1.081 460 Y CB 0.963 39.546 38.460 0.204 0.000 1.295 460 Y HN 0.335 nan 8.280 nan 0.000 0.487 461 F N 2.692 122.756 119.950 0.190 0.000 2.543 461 F HA 0.297 4.831 4.527 0.011 0.000 0.375 461 F C 0.445 176.352 175.800 0.178 0.000 1.075 461 F CA 0.057 58.075 58.000 0.030 0.000 1.225 461 F CB 0.257 39.170 39.000 -0.145 0.000 1.099 461 F HN 0.153 nan 8.300 nan 0.000 0.561 462 R N 3.606 124.249 120.500 0.238 0.000 2.535 462 R HA 0.215 4.561 4.340 0.011 0.000 0.274 462 R C -1.655 174.753 176.300 0.181 0.000 1.090 462 R CA -0.864 55.322 56.100 0.143 0.000 0.930 462 R CB 1.154 31.484 30.300 0.050 0.000 1.223 462 R HN 0.857 nan 8.270 nan 0.000 0.441 463 H N 1.683 120.854 119.070 0.168 0.000 2.489 463 H HA 0.508 5.071 4.556 0.011 0.000 0.322 463 H C -1.579 173.860 175.328 0.185 0.000 1.091 463 H CA -0.585 55.546 56.048 0.139 0.000 1.291 463 H CB 1.248 31.058 29.762 0.080 0.000 1.436 463 H HN 0.526 nan 8.280 nan 0.000 0.480 464 Y N 2.442 122.859 120.300 0.195 0.000 2.333 464 Y HA 0.210 4.767 4.550 0.011 0.000 0.324 464 Y C -0.468 175.546 175.900 0.190 0.000 1.033 464 Y CA -0.952 57.244 58.100 0.159 0.000 1.224 464 Y CB 0.859 39.455 38.460 0.226 0.000 1.120 464 Y HN 1.083 nan 8.280 nan 0.000 0.457 465 E N 4.656 124.695 120.200 -0.269 0.000 2.513 465 E HA -0.338 4.019 4.350 0.011 0.000 0.257 465 E C -0.217 176.371 176.600 -0.019 0.000 1.098 465 E CA 0.745 57.033 56.400 -0.187 0.000 0.752 465 E CB -1.049 28.521 29.700 -0.216 0.000 1.324 465 E HN 0.906 nan 8.360 nan 0.000 0.403 466 N N -2.781 115.915 118.700 -0.007 0.000 2.800 466 N HA -0.173 4.574 4.740 0.011 0.000 0.250 466 N C -0.578 174.948 175.510 0.026 0.000 1.078 466 N CA 1.326 54.381 53.050 0.009 0.000 0.804 466 N CB -1.110 37.388 38.487 0.018 0.000 1.135 466 N HN 0.198 nan 8.380 nan 0.000 0.565 467 V N 1.136 121.082 119.914 0.053 0.000 2.680 467 V HA 0.456 4.583 4.120 0.011 0.000 0.309 467 V C 0.340 176.295 176.094 -0.232 0.000 1.052 467 V CA -0.910 61.327 62.300 -0.105 0.000 0.908 467 V CB 2.730 34.475 31.823 -0.131 0.000 1.001 467 V HN 0.014 nan 8.190 nan 0.000 0.431 468 L N 4.265 125.246 121.223 -0.404 0.000 2.276 468 L HA 0.534 4.881 4.340 0.011 0.000 0.286 468 L C -0.755 175.668 176.870 -0.745 0.000 1.061 468 L CA 0.203 54.790 54.840 -0.423 0.000 0.807 468 L CB 0.732 42.545 42.059 -0.409 0.000 1.177 468 L HN 0.631 nan 8.230 nan 0.000 0.429 469 Y N 0.873 121.002 120.300 -0.285 0.000 2.634 469 Y HA 0.605 5.162 4.550 0.011 0.000 0.340 469 Y C 0.270 176.028 175.900 -0.238 0.000 1.058 469 Y CA -1.077 56.779 58.100 -0.407 0.000 1.081 469 Y CB 1.728 39.699 38.460 -0.815 0.000 1.295 469 Y HN 0.531 nan 8.280 nan 0.000 0.487 470 A N 1.138 123.995 122.820 0.062 0.000 2.690 470 A HA 0.762 5.089 4.320 0.011 0.000 0.342 470 A C -0.519 177.181 177.584 0.193 0.000 1.410 470 A CA -0.312 51.803 52.037 0.129 0.000 0.958 470 A CB -0.921 18.155 19.000 0.126 0.000 1.153 470 A HN 0.693 nan 8.150 nan 0.000 0.497 471 A N 1.803 124.781 122.820 0.263 0.000 2.303 471 A HA 0.778 5.105 4.320 0.011 0.000 0.317 471 A C 0.640 178.445 177.584 0.367 0.000 1.149 471 A CA 0.037 52.275 52.037 0.335 0.000 0.822 471 A CB 0.591 19.833 19.000 0.404 0.000 1.131 471 A HN 1.415 nan 8.150 nan 0.000 0.493 472 S N 0.994 116.820 115.700 0.210 0.000 2.690 472 S HA 0.382 4.858 4.470 0.011 0.000 0.291 472 S C -0.054 174.526 174.600 -0.034 0.000 1.138 472 S CA -0.801 57.483 58.200 0.141 0.000 1.013 472 S CB 0.922 64.086 63.200 -0.060 0.000 1.053 472 S HN 0.605 nan 8.310 nan 0.000 0.539 473 N N 1.150 119.549 118.700 -0.502 0.000 2.819 473 N HA 0.401 5.147 4.740 0.011 0.000 0.284 473 N C 0.305 175.513 175.510 -0.502 0.000 1.196 473 N CA 1.243 53.597 53.050 -1.160 0.000 1.114 473 N CB -0.926 36.797 38.487 -1.274 0.000 1.437 473 N HN 1.197 nan 8.380 nan 0.000 0.518 474 G N 0.025 108.630 108.800 -0.325 0.000 2.712 474 G HA2 0.426 4.392 3.960 0.011 0.000 0.686 474 G HA3 0.426 4.392 3.960 0.011 0.000 0.686 474 G C -0.228 174.547 174.900 -0.209 0.000 1.181 474 G CA -0.438 44.526 45.100 -0.226 0.000 0.762 474 G HN 0.839 nan 8.290 nan 0.000 0.641 475 G N -1.634 107.041 108.800 -0.207 0.000 2.324 475 G HA2 0.621 4.588 3.960 0.011 0.000 0.293 475 G HA3 0.621 4.588 3.960 0.011 0.000 0.293 475 G C 0.843 175.601 174.900 -0.237 0.000 1.297 475 G CA 0.836 45.804 45.100 -0.219 0.000 0.853 475 G HN 2.219 nan 8.290 nan 0.000 0.535 476 V N -2.095 117.680 119.914 -0.231 0.000 3.141 476 V HA 0.234 4.360 4.120 0.011 0.000 0.265 476 V C 0.741 176.659 176.094 -0.293 0.000 1.126 476 V CA 1.613 63.787 62.300 -0.209 0.000 1.141 476 V CB -0.707 31.033 31.823 -0.138 0.000 0.743 476 V HN 0.509 nan 8.190 nan 0.000 0.492 477 Q N 1.169 120.684 119.800 -0.474 0.000 2.222 477 Q HA 0.434 4.781 4.340 0.011 0.000 0.252 477 Q C 1.540 177.072 176.000 -0.780 0.000 0.926 477 Q CA 0.553 55.902 55.803 -0.756 0.000 0.899 477 Q CB 1.627 29.493 28.738 -1.453 0.000 1.250 477 Q HN 0.559 nan 8.270 nan 0.000 0.441 478 T N -1.322 112.830 114.554 -0.670 0.000 2.788 478 T HA -0.183 4.173 4.350 0.011 0.000 0.268 478 T C 1.228 175.427 174.700 -0.834 0.000 1.044 478 T CA 1.481 63.261 62.100 -0.533 0.000 1.139 478 T CB -0.430 68.264 68.868 -0.290 0.000 0.867 478 T HN 0.627 nan 8.240 nan 0.000 0.454 479 F N 1.388 120.812 119.950 -0.877 0.000 2.771 479 F HA 0.358 4.892 4.527 0.011 0.000 0.299 479 F C 0.862 176.312 175.800 -0.583 0.000 1.177 479 F CA -0.689 56.601 58.000 -1.184 0.000 1.450 479 F CB -0.754 37.473 39.000 -1.289 0.000 1.114 479 F HN 0.044 nan 8.300 nan 0.000 0.587 480 D N 0.272 120.384 120.400 -0.480 0.000 2.340 480 D HA -0.011 4.636 4.640 0.011 0.000 0.217 480 D C 0.694 176.916 176.300 -0.130 0.000 1.081 480 D CA 0.227 54.105 54.000 -0.202 0.000 0.842 480 D CB 0.120 40.736 40.800 -0.307 0.000 0.934 480 D HN 0.267 nan 8.370 nan 0.000 0.511 481 S N 0.743 116.344 115.700 -0.165 0.000 2.573 481 S HA -0.084 4.392 4.470 0.011 0.000 0.297 481 S C 1.353 175.978 174.600 0.042 0.000 1.280 481 S CA 0.099 58.264 58.200 -0.059 0.000 1.061 481 S CB 0.754 63.961 63.200 0.012 0.000 0.812 481 S HN 0.059 nan 8.310 nan 0.000 0.500 482 K N 2.427 122.820 120.400 -0.011 0.000 2.366 482 K HA -0.005 4.321 4.320 0.011 0.000 0.198 482 K C 0.461 177.106 176.600 0.074 0.000 1.044 482 K CA 0.464 56.745 56.287 -0.009 0.000 0.973 482 K CB -0.182 32.268 32.500 -0.083 0.000 0.767 482 K HN 0.549 nan 8.250 nan 0.000 0.475 483 T N 1.610 116.208 114.554 0.073 0.000 2.784 483 T HA -0.036 4.321 4.350 0.011 0.000 0.291 483 T C 0.493 175.250 174.700 0.095 0.000 0.942 483 T CA 0.398 62.544 62.100 0.077 0.000 1.161 483 T CB 0.678 69.593 68.868 0.077 0.000 0.885 483 T HN 0.287 nan 8.240 nan 0.000 0.534 484 S N 2.689 118.433 115.700 0.073 0.000 3.476 484 S HA -0.229 4.247 4.470 0.011 0.000 0.309 484 S C 0.920 175.526 174.600 0.010 0.000 1.222 484 S CA 0.885 59.107 58.200 0.037 0.000 0.922 484 S CB -2.055 61.161 63.200 0.026 0.000 1.023 484 S HN 0.725 nan 8.310 nan 0.000 0.591 485 F N 2.407 122.316 119.950 -0.068 0.000 2.046 485 F HA -0.097 4.436 4.527 0.011 0.000 0.297 485 F C 1.815 177.538 175.800 -0.128 0.000 1.123 485 F CA 2.561 60.508 58.000 -0.088 0.000 1.199 485 F CB -0.725 38.232 39.000 -0.072 0.000 0.972 485 F HN 0.423 nan 8.300 nan 0.000 0.474 486 N N 0.876 119.576 118.700 0.000 0.000 2.094 486 N HA -0.221 4.526 4.740 0.011 0.000 0.191 486 N C 1.492 176.851 175.510 -0.252 0.000 1.023 486 N CA 1.632 54.604 53.050 -0.131 0.000 0.857 486 N CB -0.647 37.834 38.487 -0.010 0.000 1.013 486 N HN 0.351 nan 8.380 nan 0.000 0.426 487 N N 0.804 119.389 118.700 -0.191 0.000 2.106 487 N HA -0.089 4.657 4.740 0.011 0.000 0.188 487 N C 0.668 175.990 175.510 -0.313 0.000 1.029 487 N CA 0.930 53.864 53.050 -0.193 0.000 0.848 487 N CB -0.405 38.029 38.487 -0.088 0.000 1.007 487 N HN 0.274 nan 8.380 nan 0.000 0.423 488 D N 0.270 120.429 120.400 -0.402 0.000 2.351 488 D HA -0.079 4.568 4.640 0.011 0.000 0.216 488 D C 1.538 177.476 176.300 -0.602 0.000 0.968 488 D CA 0.466 54.069 54.000 -0.662 0.000 0.899 488 D CB 0.116 40.468 40.800 -0.748 0.000 0.907 488 D HN 0.282 nan 8.370 nan 0.000 0.514 489 V N -3.159 116.385 119.914 -0.616 0.000 3.427 489 V HA 0.306 4.433 4.120 0.011 0.000 0.305 489 V C 0.324 176.151 176.094 -0.445 0.000 1.412 489 V CA -0.347 61.670 62.300 -0.471 0.000 1.086 489 V CB 0.258 31.695 31.823 -0.645 0.000 0.964 489 V HN -0.198 nan 8.190 nan 0.000 0.439 490 S N 1.315 116.629 115.700 -0.643 0.000 2.449 490 S HA 0.848 5.325 4.470 0.011 0.000 0.310 490 S C -1.019 173.164 174.600 -0.694 0.000 1.096 490 S CA -0.184 57.742 58.200 -0.457 0.000 1.095 490 S CB 1.056 64.087 63.200 -0.280 0.000 1.007 490 S HN 0.399 nan 8.310 nan 0.000 0.474 491 F N 0.977 120.905 119.950 -0.037 0.000 2.576 491 F HA 0.429 4.962 4.527 0.011 0.000 0.313 491 F C 0.367 176.150 175.800 -0.028 0.000 1.078 491 F CA -0.956 57.024 58.000 -0.033 0.000 0.921 491 F CB 1.286 40.265 39.000 -0.034 0.000 1.232 491 F HN 0.299 nan 8.300 nan 0.000 0.459 492 E N 2.713 123.003 120.200 0.151 0.000 2.227 492 E HA 0.360 4.717 4.350 0.011 0.000 0.282 492 E C -0.445 176.225 176.600 0.118 0.000 1.015 492 E CA -0.348 56.102 56.400 0.083 0.000 0.823 492 E CB 1.923 31.643 29.700 0.033 0.000 1.081 492 E HN 0.493 nan 8.360 nan 0.000 0.396 493 I N 3.566 124.190 120.570 0.090 0.000 2.379 493 I HA 0.057 4.234 4.170 0.011 0.000 0.290 493 I C 0.784 176.960 176.117 0.097 0.000 1.063 493 I CA 0.334 61.708 61.300 0.124 0.000 1.351 493 I CB 0.323 38.347 38.000 0.039 0.000 1.410 493 I HN 0.216 nan 8.210 nan 0.000 0.505 494 E N 3.831 124.110 120.200 0.131 0.000 2.359 494 E HA 0.365 4.722 4.350 0.011 0.000 0.266 494 E C -0.724 175.895 176.600 0.031 0.000 0.920 494 E CA -0.984 55.461 56.400 0.075 0.000 0.788 494 E CB 1.631 31.392 29.700 0.101 0.000 1.279 494 E HN 0.370 nan 8.360 nan 0.000 0.438 495 T N 1.551 116.082 114.554 -0.038 0.000 2.905 495 T HA 0.126 4.482 4.350 0.011 0.000 0.299 495 T C 0.202 174.809 174.700 -0.156 0.000 1.024 495 T CA -0.019 62.037 62.100 -0.073 0.000 1.151 495 T CB 0.271 69.082 68.868 -0.095 0.000 0.987 495 T HN 0.518 nan 8.240 nan 0.000 0.535 496 A N 3.120 125.892 122.820 -0.080 0.000 2.531 496 A HA 0.294 4.621 4.320 0.011 0.000 0.236 496 A C 0.998 178.493 177.584 -0.149 0.000 1.062 496 A CA -0.292 51.696 52.037 -0.081 0.000 0.760 496 A CB -0.223 18.773 19.000 -0.007 0.000 0.995 496 A HN 0.827 nan 8.150 nan 0.000 0.501 497 F N 2.148 122.037 119.950 -0.102 0.000 2.234 497 F HA -0.058 4.476 4.527 0.011 0.000 0.299 497 F C 2.478 178.215 175.800 -0.105 0.000 1.087 497 F CA 1.824 59.745 58.000 -0.133 0.000 1.340 497 F CB -0.269 38.610 39.000 -0.201 0.000 1.031 497 F HN 0.606 nan 8.300 nan 0.000 0.500 498 A N -0.471 122.393 122.820 0.073 0.000 2.250 498 A HA 0.220 4.547 4.320 0.011 0.000 0.208 498 A C 1.074 178.658 177.584 -0.001 0.000 1.254 498 A CA 0.920 52.962 52.037 0.009 0.000 0.858 498 A CB -1.035 17.943 19.000 -0.036 0.000 0.820 498 A HN 0.294 nan 8.150 nan 0.000 0.484 499 S N 0.000 115.701 115.700 0.002 0.000 2.498 499 S HA 0.000 4.477 4.470 0.011 0.000 0.327 499 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 499 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 499 S HN 0.000 nan 8.310 nan 0.000 0.517