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 1nwu_1_D DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.891 175.900 -0.015 0.000 1.272 22 Y CA 0.000 58.094 58.100 -0.010 0.000 1.940 22 Y CB 0.000 38.456 38.460 -0.007 0.000 1.050 23 K N 1.668 122.138 120.400 0.116 0.000 2.143 23 K HA 0.611 4.931 4.320 0.001 0.000 0.272 23 K C -1.380 175.215 176.600 -0.009 0.000 1.001 23 K CA -0.840 55.438 56.287 -0.014 0.000 0.915 23 K CB 1.459 33.785 32.500 -0.290 0.000 1.047 23 K HN 0.411 nan 8.250 nan 0.000 0.458 24 L N 4.003 125.238 121.223 0.019 0.000 2.417 24 L HA 0.242 4.583 4.340 0.001 0.000 0.259 24 L C -1.351 175.524 176.870 0.008 0.000 1.023 24 L CA -0.603 54.248 54.840 0.018 0.000 0.901 24 L CB 1.297 43.382 42.059 0.044 0.000 1.227 24 L HN 0.282 nan 8.230 nan 0.000 0.454 25 V N 3.730 123.608 119.914 -0.060 0.000 2.408 25 V HA 0.336 4.456 4.120 0.001 0.000 0.267 25 V C -0.008 176.097 176.094 0.018 0.000 1.047 25 V CA -0.231 62.031 62.300 -0.063 0.000 0.937 25 V CB 0.694 32.419 31.823 -0.164 0.000 0.999 25 V HN 0.814 nan 8.190 nan 0.000 0.472 26 c N 5.289 123.881 118.600 -0.014 0.000 2.408 26 c HA 0.612 5.182 4.570 0.001 0.000 0.321 26 c C -0.237 173.805 174.090 -0.079 0.000 1.245 26 c CA -1.287 55.047 56.329 0.008 0.000 1.523 26 c CB 0.471 42.974 42.510 -0.012 0.000 2.178 26 c HN 0.748 nan 8.230 nan 0.000 0.488 27 Y N 1.073 121.349 120.300 -0.039 0.000 2.301 27 Y HA 0.468 5.018 4.550 0.001 0.000 0.325 27 Y C -0.043 175.645 175.900 -0.354 0.000 1.203 27 Y CA 0.091 58.073 58.100 -0.198 0.000 1.255 27 Y CB 0.707 38.964 38.460 -0.339 0.000 1.232 27 Y HN 0.714 nan 8.280 nan 0.000 0.501 28 Y N 2.155 122.241 120.300 -0.357 0.000 2.406 28 Y HA 0.456 5.006 4.550 0.000 0.000 0.340 28 Y C -0.602 174.819 175.900 -0.798 0.000 0.975 28 Y CA -1.195 56.598 58.100 -0.512 0.000 1.056 28 Y CB 1.360 39.610 38.460 -0.350 0.000 1.210 28 Y HN 0.636 nan 8.280 nan 0.000 0.448 29 T N 1.201 114.633 114.554 -1.870 0.000 2.795 29 T HA 0.280 4.630 4.350 0.001 0.000 0.282 29 T C 0.900 174.382 174.700 -2.031 0.000 0.980 29 T CA -0.109 60.758 62.100 -2.055 0.000 1.012 29 T CB 1.330 68.607 68.868 -2.652 0.000 0.936 29 T HN 0.757 nan 8.240 nan 0.000 0.457 30 S N 1.541 116.440 115.700 -1.333 0.000 2.507 30 S HA -0.079 4.391 4.470 0.001 0.000 0.235 30 S C 1.360 175.683 174.600 -0.461 0.000 0.988 30 S CA 0.276 58.056 58.200 -0.699 0.000 0.944 30 S CB -0.875 62.201 63.200 -0.207 0.000 0.762 30 S HN 1.007 nan 8.310 nan 0.000 0.526 31 W N 2.045 123.105 121.300 -0.400 0.000 3.197 31 W HA 0.388 5.048 4.660 0.000 0.000 0.274 31 W C 1.742 178.098 176.519 -0.272 0.000 1.297 31 W CA 0.059 57.275 57.345 -0.215 0.000 1.662 31 W CB -0.707 28.768 29.460 0.025 0.000 1.106 31 W HN 0.264 nan 8.180 nan 0.000 0.663 32 S N 1.148 116.416 115.700 -0.719 0.000 2.474 32 S HA -0.300 4.171 4.470 0.001 0.000 0.235 32 S C 1.782 176.152 174.600 -0.384 0.000 0.997 32 S CA 1.252 59.155 58.200 -0.495 0.000 0.949 32 S CB -0.849 61.942 63.200 -0.682 0.000 0.766 32 S HN 0.695 nan 8.310 nan 0.000 0.517 33 Q N 0.074 119.501 119.800 -0.621 0.000 2.170 33 Q HA -0.136 4.204 4.340 0.001 0.000 0.203 33 Q C 1.171 176.978 176.000 -0.321 0.000 0.976 33 Q CA 1.328 56.654 55.803 -0.795 0.000 0.858 33 Q CB -0.831 27.116 28.738 -1.318 0.000 0.907 33 Q HN 0.660 nan 8.270 nan 0.000 0.433 34 Y N 1.163 121.484 120.300 0.035 0.000 2.583 34 Y HA 0.191 4.741 4.550 0.001 0.000 0.293 34 Y C 0.481 176.483 175.900 0.170 0.000 1.157 34 Y CA -0.285 57.905 58.100 0.150 0.000 1.315 34 Y CB -0.094 38.479 38.460 0.187 0.000 1.021 34 Y HN -0.004 nan 8.280 nan 0.000 0.536 35 R N 1.650 122.315 120.500 0.274 0.000 2.590 35 R HA 0.069 4.409 4.340 0.001 0.000 0.274 35 R C 0.291 176.786 176.300 0.325 0.000 1.061 35 R CA -0.190 56.092 56.100 0.303 0.000 1.081 35 R CB 0.452 30.936 30.300 0.307 0.000 0.984 35 R HN 0.326 nan 8.270 nan 0.000 0.448 36 E N 0.950 121.349 120.200 0.333 0.000 2.436 36 E HA 0.003 4.354 4.350 0.001 0.000 0.262 36 E C 1.067 177.918 176.600 0.418 0.000 1.063 36 E CA 0.496 57.080 56.400 0.306 0.000 0.944 36 E CB 0.405 30.221 29.700 0.192 0.000 0.950 36 E HN 0.758 nan 8.360 nan 0.000 0.444 37 G N 3.083 112.077 108.800 0.322 0.000 2.661 37 G HA2 -0.399 3.561 3.960 0.001 0.000 0.327 37 G HA3 -0.399 3.561 3.960 0.001 0.000 0.327 37 G C 0.447 175.520 174.900 0.288 0.000 1.320 37 G CA 0.577 45.869 45.100 0.320 0.000 0.997 37 G HN 0.747 nan 8.290 nan 0.000 0.543 38 D N 1.510 122.053 120.400 0.238 0.000 2.403 38 D HA 0.021 4.662 4.640 0.001 0.000 0.227 38 D C 2.261 178.492 176.300 -0.115 0.000 0.995 38 D CA 1.363 55.387 54.000 0.041 0.000 0.928 38 D CB -0.738 40.045 40.800 -0.027 0.000 0.887 38 D HN 0.592 nan 8.370 nan 0.000 0.529 39 G N 0.272 109.058 108.800 -0.024 0.000 2.464 39 G HA2 -0.138 3.822 3.960 0.001 0.000 0.217 39 G HA3 -0.138 3.822 3.960 0.001 0.000 0.217 39 G C 0.862 175.926 174.900 0.272 0.000 1.138 39 G CA -0.039 45.057 45.100 -0.008 0.000 0.793 39 G HN 0.238 nan 8.290 nan 0.000 0.539 40 S N -0.358 115.506 115.700 0.274 0.000 2.525 40 S HA 0.238 4.708 4.470 0.001 0.000 0.285 40 S C -0.225 174.454 174.600 0.132 0.000 1.283 40 S CA -0.397 57.921 58.200 0.197 0.000 1.072 40 S CB -0.023 63.344 63.200 0.279 0.000 0.867 40 S HN 0.337 nan 8.310 nan 0.000 0.492 41 C N 7.303 126.494 119.300 -0.182 0.000 2.364 41 C HA 0.770 5.230 4.460 0.001 0.000 0.324 41 C C -1.085 173.749 174.990 -0.259 0.000 1.234 41 C CA -0.848 57.917 59.018 -0.421 0.000 1.417 41 C CB -0.669 26.482 27.740 -0.981 0.000 2.101 41 C HN 0.851 nan 8.230 nan 0.000 0.466 42 F N 5.460 125.335 119.950 -0.124 0.000 2.538 42 F HA 0.489 5.017 4.527 0.000 0.000 0.325 42 F C -1.415 174.211 175.800 -0.290 0.000 1.066 42 F CA -1.903 56.035 58.000 -0.105 0.000 0.946 42 F CB 1.479 40.439 39.000 -0.067 0.000 1.199 42 F HN 0.373 nan 8.300 nan 0.000 0.473 43 P HA -0.221 nan 4.420 nan 0.000 0.217 43 P C 1.036 178.212 177.300 -0.207 0.000 1.151 43 P CA 1.785 64.596 63.100 -0.481 0.000 0.849 43 P CB 0.024 31.511 31.700 -0.355 0.000 0.787 44 D N -0.582 119.775 120.400 -0.073 0.000 2.350 44 D HA -0.091 4.550 4.640 0.001 0.000 0.216 44 D C 1.402 177.702 176.300 0.001 0.000 0.968 44 D CA 0.999 54.973 54.000 -0.044 0.000 0.894 44 D CB -0.709 40.072 40.800 -0.033 0.000 0.909 44 D HN 0.148 nan 8.370 nan 0.000 0.520 45 A N 0.238 123.077 122.820 0.031 0.000 2.251 45 A HA 0.242 4.563 4.320 0.001 0.000 0.209 45 A C 1.181 178.893 177.584 0.213 0.000 1.187 45 A CA -0.282 51.829 52.037 0.124 0.000 0.823 45 A CB -0.279 18.807 19.000 0.144 0.000 0.846 45 A HN 0.216 nan 8.150 nan 0.000 0.486 46 L N 0.322 121.586 121.223 0.069 0.000 2.350 46 L HA 0.259 4.599 4.340 0.001 0.000 0.275 46 L C -0.182 176.642 176.870 -0.077 0.000 1.099 46 L CA -0.795 54.042 54.840 -0.005 0.000 0.808 46 L CB 0.797 42.751 42.059 -0.174 0.000 1.149 46 L HN 0.110 nan 8.230 nan 0.000 0.442 47 D N 1.953 122.226 120.400 -0.211 0.000 2.336 47 D HA 0.053 4.693 4.640 0.001 0.000 0.249 47 D C 1.269 177.449 176.300 -0.200 0.000 1.213 47 D CA -0.403 53.518 54.000 -0.131 0.000 0.870 47 D CB 0.913 41.645 40.800 -0.113 0.000 1.076 47 D HN 0.495 nan 8.370 nan 0.000 0.483 48 R N 2.687 123.042 120.500 -0.240 0.000 2.249 48 R HA -0.115 4.225 4.340 0.001 0.000 0.230 48 R C 0.683 176.678 176.300 -0.508 0.000 1.121 48 R CA 1.173 57.022 56.100 -0.418 0.000 0.997 48 R CB -0.346 29.608 30.300 -0.576 0.000 0.867 48 R HN 0.289 nan 8.270 nan 0.000 0.465 49 F N -0.166 119.738 119.950 -0.077 0.000 2.695 49 F HA 0.205 4.733 4.527 0.001 0.000 0.303 49 F C 1.544 177.305 175.800 -0.066 0.000 1.091 49 F CA -0.602 57.362 58.000 -0.060 0.000 1.300 49 F CB 0.170 39.148 39.000 -0.037 0.000 1.071 49 F HN -0.041 nan 8.300 nan 0.000 0.578 50 L N -0.305 120.924 121.223 0.010 0.000 2.005 50 L HA -0.055 4.286 4.340 0.001 0.000 0.207 50 L C 0.888 177.738 176.870 -0.033 0.000 1.072 50 L CA 1.405 56.217 54.840 -0.045 0.000 0.744 50 L CB -0.292 41.639 42.059 -0.214 0.000 0.895 50 L HN 0.075 nan 8.230 nan 0.000 0.433 51 c N -1.842 116.721 118.600 -0.062 0.000 2.407 51 c HA 0.505 5.076 4.570 0.001 0.000 0.366 51 c C 1.912 176.001 174.090 -0.003 0.000 1.213 51 c CA 0.022 56.337 56.329 -0.022 0.000 2.011 51 c CB 1.263 43.750 42.510 -0.039 0.000 2.306 51 c HN 0.586 nan 8.230 nan 0.000 0.527 52 T N -2.455 112.133 114.554 0.057 0.000 3.037 52 T HA 0.137 4.487 4.350 0.001 0.000 0.252 52 T C 0.023 174.667 174.700 -0.092 0.000 1.073 52 T CA 0.856 62.980 62.100 0.039 0.000 1.091 52 T CB -0.204 68.764 68.868 0.167 0.000 0.935 52 T HN 0.788 nan 8.240 nan 0.000 0.488 53 H N -0.286 118.750 119.070 -0.056 0.000 2.856 53 H HA 0.648 5.205 4.556 0.001 0.000 0.355 53 H C -1.201 174.095 175.328 -0.054 0.000 1.079 53 H CA -0.976 55.050 56.048 -0.036 0.000 1.240 53 H CB 1.399 31.146 29.762 -0.026 0.000 1.701 53 H HN 0.177 nan 8.280 nan 0.000 0.527 54 I N 4.131 124.737 120.570 0.060 0.000 2.406 54 I HA 0.363 4.533 4.170 0.001 0.000 0.290 54 I C -0.438 175.704 176.117 0.041 0.000 0.999 54 I CA -0.546 60.758 61.300 0.007 0.000 1.124 54 I CB 1.585 39.570 38.000 -0.025 0.000 1.289 54 I HN 0.400 nan 8.210 nan 0.000 0.441 55 I N 6.026 126.552 120.570 -0.074 0.000 2.378 55 I HA 0.244 4.414 4.170 0.001 0.000 0.291 55 I C -0.840 175.301 176.117 0.041 0.000 0.992 55 I CA -0.819 60.436 61.300 -0.076 0.000 1.154 55 I CB 1.553 39.286 38.000 -0.446 0.000 1.315 55 I HN 0.471 nan 8.210 nan 0.000 0.448 56 Y N 5.439 125.767 120.300 0.047 0.000 2.336 56 Y HA 0.299 4.849 4.550 0.000 0.000 0.335 56 Y C -0.064 175.821 175.900 -0.025 0.000 1.046 56 Y CA 0.168 58.324 58.100 0.093 0.000 1.198 56 Y CB 1.026 39.621 38.460 0.225 0.000 1.182 56 Y HN 0.500 nan 8.280 nan 0.000 0.502 57 S N 6.502 121.911 115.700 -0.485 0.000 2.561 57 S HA 0.634 5.105 4.470 0.001 0.000 0.303 57 S C -1.419 172.882 174.600 -0.499 0.000 1.110 57 S CA -0.537 57.233 58.200 -0.715 0.000 1.034 57 S CB 0.700 63.085 63.200 -1.359 0.000 1.010 57 S HN 0.520 nan 8.310 nan 0.000 0.482 58 F N 0.924 120.923 119.950 0.082 0.000 2.620 58 F HA 0.769 5.296 4.527 0.000 0.000 0.320 58 F C 0.337 176.315 175.800 0.297 0.000 1.069 58 F CA -0.941 57.156 58.000 0.162 0.000 0.953 58 F CB 1.401 40.420 39.000 0.032 0.000 1.322 58 F HN 0.629 nan 8.300 nan 0.000 0.479 59 A N 1.448 124.591 122.820 0.538 0.000 2.282 59 A HA 0.628 4.948 4.320 0.001 0.000 0.319 59 A C -0.653 177.247 177.584 0.526 0.000 1.121 59 A CA -0.417 51.916 52.037 0.492 0.000 0.836 59 A CB 0.860 20.028 19.000 0.281 0.000 1.146 59 A HN 0.739 nan 8.150 nan 0.000 0.494 60 N N -0.564 118.455 118.700 0.532 0.000 2.563 60 N HA 0.657 5.397 4.740 0.001 0.000 0.288 60 N C -1.141 174.504 175.510 0.226 0.000 1.246 60 N CA -0.542 52.819 53.050 0.519 0.000 0.946 60 N CB 0.830 39.510 38.487 0.321 0.000 1.213 60 N HN 0.477 nan 8.380 nan 0.000 0.578 61 I N 0.685 121.373 120.570 0.196 0.000 2.497 61 I HA 0.257 4.427 4.170 0.001 0.000 0.284 61 I C -0.902 175.208 176.117 -0.010 0.000 1.060 61 I CA -0.463 60.855 61.300 0.031 0.000 1.071 61 I CB 1.643 39.537 38.000 -0.178 0.000 1.216 61 I HN 0.259 nan 8.210 nan 0.000 0.442 62 S N 4.968 120.679 115.700 0.019 0.000 2.502 62 S HA 0.394 4.864 4.470 0.001 0.000 0.304 62 S C 0.286 174.927 174.600 0.068 0.000 1.097 62 S CA -0.565 57.634 58.200 -0.001 0.000 1.045 62 S CB 1.325 64.516 63.200 -0.015 0.000 1.019 62 S HN 0.733 nan 8.310 nan 0.000 0.481 63 N N 2.623 121.347 118.700 0.040 0.000 2.725 63 N HA -0.163 4.577 4.740 0.001 0.000 0.249 63 N C -0.752 174.881 175.510 0.205 0.000 1.103 63 N CA 1.155 54.267 53.050 0.102 0.000 0.707 63 N CB -1.031 37.518 38.487 0.102 0.000 1.043 63 N HN 0.846 nan 8.380 nan 0.000 0.553 64 D N -2.623 117.825 120.400 0.080 0.000 3.076 64 D HA -0.195 4.445 4.640 0.001 0.000 0.218 64 D C -0.213 176.108 176.300 0.035 0.000 1.156 64 D CA 1.334 55.347 54.000 0.022 0.000 0.921 64 D CB -1.459 39.337 40.800 -0.007 0.000 1.113 64 D HN 0.664 nan 8.370 nan 0.000 0.418 65 H N -0.431 118.696 119.070 0.096 0.000 2.524 65 H HA 0.588 5.144 4.556 0.001 0.000 0.353 65 H C 0.387 175.776 175.328 0.102 0.000 1.136 65 H CA -0.758 55.363 56.048 0.122 0.000 1.193 65 H CB 1.611 31.413 29.762 0.066 0.000 1.558 65 H HN 0.079 nan 8.280 nan 0.000 0.515 66 I N 1.713 122.384 120.570 0.168 0.000 2.634 66 I HA 0.120 4.291 4.170 0.001 0.000 0.284 66 I C -0.470 175.436 176.117 -0.352 0.000 1.124 66 I CA 0.660 61.939 61.300 -0.035 0.000 1.417 66 I CB 0.297 38.180 38.000 -0.194 0.000 1.396 66 I HN 0.716 nan 8.210 nan 0.000 0.571 67 D N 3.517 123.745 120.400 -0.286 0.000 2.639 67 D HA 0.306 4.946 4.640 0.001 0.000 0.271 67 D C -0.907 175.463 176.300 0.117 0.000 1.254 67 D CA -0.194 53.717 54.000 -0.149 0.000 0.810 67 D CB 1.682 42.507 40.800 0.043 0.000 1.351 67 D HN 0.635 nan 8.370 nan 0.000 0.427 68 T N -1.377 113.372 114.554 0.325 0.000 2.802 68 T HA 0.077 4.427 4.350 0.001 0.000 0.305 68 T C 0.361 175.282 174.700 0.368 0.000 1.053 68 T CA -0.293 62.042 62.100 0.393 0.000 1.058 68 T CB 0.888 69.897 68.868 0.236 0.000 0.988 68 T HN 0.535 nan 8.240 nan 0.000 0.539 69 W N 0.455 121.907 121.300 0.253 0.000 3.227 69 W HA 0.343 5.004 4.660 0.000 0.000 0.246 69 W C 0.399 177.065 176.519 0.245 0.000 1.007 69 W CA 0.085 57.583 57.345 0.254 0.000 1.925 69 W CB -0.054 29.606 29.460 0.333 0.000 1.062 69 W HN 0.672 nan 8.180 nan 0.000 0.649 70 E N 1.395 121.971 120.200 0.628 0.000 2.349 70 E HA 0.025 4.376 4.350 0.001 0.000 0.265 70 E C 1.406 178.165 176.600 0.264 0.000 1.064 70 E CA -0.132 56.560 56.400 0.486 0.000 0.886 70 E CB 0.194 30.119 29.700 0.374 0.000 1.036 70 E HN 0.201 nan 8.360 nan 0.000 0.413 71 W N 3.896 125.340 121.300 0.239 0.000 2.350 71 W HA -0.160 4.501 4.660 0.001 0.000 0.289 71 W C 0.466 177.060 176.519 0.125 0.000 1.215 71 W CA 1.327 58.765 57.345 0.156 0.000 1.236 71 W CB -0.621 28.929 29.460 0.150 0.000 1.130 71 W HN 0.505 nan 8.180 nan 0.000 0.541 72 N N 0.579 118.683 118.700 -0.994 0.000 2.273 72 N HA -0.047 4.694 4.740 0.001 0.000 0.231 72 N C 0.552 175.761 175.510 -0.501 0.000 1.134 72 N CA 0.170 52.660 53.050 -0.934 0.000 0.856 72 N CB -0.738 36.764 38.487 -1.640 0.000 1.068 72 N HN -0.077 nan 8.380 nan 0.000 0.510 73 D N 0.937 121.108 120.400 -0.381 0.000 2.116 73 D HA -0.120 4.520 4.640 0.001 0.000 0.193 73 D C 1.805 177.510 176.300 -0.992 0.000 0.998 73 D CA 0.955 54.621 54.000 -0.556 0.000 0.836 73 D CB 0.075 40.561 40.800 -0.523 0.000 0.951 73 D HN 0.090 nan 8.370 nan 0.000 0.449 74 V N 1.044 120.508 119.914 -0.751 0.000 2.324 74 V HA -0.287 3.834 4.120 0.001 0.000 0.250 74 V C 2.520 178.443 176.094 -0.285 0.000 1.060 74 V CA 2.113 64.099 62.300 -0.524 0.000 1.042 74 V CB -0.860 30.850 31.823 -0.188 0.000 0.650 74 V HN 0.248 nan 8.190 nan 0.000 0.450 75 T N 0.367 114.775 114.554 -0.243 0.000 2.737 75 T HA -0.086 4.264 4.350 0.001 0.000 0.265 75 T C 1.867 176.503 174.700 -0.105 0.000 1.038 75 T CA 1.511 63.526 62.100 -0.143 0.000 1.144 75 T CB -0.289 68.496 68.868 -0.140 0.000 0.866 75 T HN 0.317 nan 8.240 nan 0.000 0.434 76 L N -0.238 120.917 121.223 -0.114 0.000 2.131 76 L HA -0.099 4.241 4.340 0.001 0.000 0.210 76 L C 2.566 179.446 176.870 0.016 0.000 1.092 76 L CA 1.280 56.136 54.840 0.026 0.000 0.759 76 L CB -0.773 41.398 42.059 0.186 0.000 0.903 76 L HN 0.252 nan 8.230 nan 0.000 0.435 77 Y N 0.863 121.005 120.300 -0.264 0.000 2.128 77 Y HA -0.165 4.385 4.550 0.001 0.000 0.284 77 Y C 2.666 178.375 175.900 -0.318 0.000 1.154 77 Y CA 1.037 58.914 58.100 -0.372 0.000 1.149 77 Y CB -1.479 36.791 38.460 -0.317 0.000 0.976 77 Y HN 0.118 nan 8.280 nan 0.000 0.505 78 G N -0.911 107.866 108.800 -0.038 0.000 2.418 78 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 78 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 78 G C 1.874 176.714 174.900 -0.101 0.000 1.158 78 G CA 0.839 45.886 45.100 -0.088 0.000 0.771 78 G HN 0.336 nan 8.290 nan 0.000 0.545 79 M N -0.448 119.108 119.600 -0.074 0.000 2.117 79 M HA -0.007 4.474 4.480 0.001 0.000 0.262 79 M C 2.347 178.580 176.300 -0.111 0.000 1.065 79 M CA 1.153 56.408 55.300 -0.075 0.000 1.114 79 M CB -0.084 32.496 32.600 -0.033 0.000 1.361 79 M HN 0.308 nan 8.290 nan 0.000 0.408 80 L N 0.549 121.702 121.223 -0.117 0.000 2.044 80 L HA -0.139 4.202 4.340 0.001 0.000 0.205 80 L C 1.774 178.535 176.870 -0.181 0.000 1.075 80 L CA 1.861 56.614 54.840 -0.145 0.000 0.747 80 L CB -0.932 41.087 42.059 -0.066 0.000 0.903 80 L HN 0.270 nan 8.230 nan 0.000 0.435 81 N N -0.818 117.740 118.700 -0.236 0.000 2.381 81 N HA -0.128 4.612 4.740 0.001 0.000 0.182 81 N C 1.590 176.985 175.510 -0.190 0.000 1.025 81 N CA 1.474 54.369 53.050 -0.258 0.000 0.888 81 N CB -0.348 37.926 38.487 -0.355 0.000 0.965 81 N HN 0.444 nan 8.380 nan 0.000 0.438 82 T N 1.777 116.235 114.554 -0.159 0.000 2.833 82 T HA 0.006 4.356 4.350 0.001 0.000 0.269 82 T C 2.040 176.654 174.700 -0.142 0.000 1.054 82 T CA 0.442 62.463 62.100 -0.132 0.000 1.135 82 T CB -0.103 68.700 68.868 -0.108 0.000 0.869 82 T HN 0.209 nan 8.240 nan 0.000 0.466 83 L N 0.482 121.607 121.223 -0.164 0.000 2.261 83 L HA -0.107 4.233 4.340 0.001 0.000 0.216 83 L C 2.432 179.169 176.870 -0.222 0.000 1.114 83 L CA 1.227 55.949 54.840 -0.197 0.000 0.777 83 L CB -0.506 41.426 42.059 -0.211 0.000 0.910 83 L HN 0.232 nan 8.230 nan 0.000 0.440 84 K N -0.284 120.003 120.400 -0.189 0.000 2.439 84 K HA -0.056 4.264 4.320 0.001 0.000 0.197 84 K C 1.643 178.157 176.600 -0.143 0.000 1.041 84 K CA 0.351 56.533 56.287 -0.174 0.000 0.970 84 K CB -0.062 32.346 32.500 -0.153 0.000 0.773 84 K HN 0.338 nan 8.250 nan 0.000 0.479 85 N N 1.286 119.909 118.700 -0.129 0.000 2.120 85 N HA -0.139 4.601 4.740 0.001 0.000 0.188 85 N C 1.300 176.766 175.510 -0.074 0.000 1.024 85 N CA 1.264 54.259 53.050 -0.092 0.000 0.852 85 N CB -0.015 38.425 38.487 -0.080 0.000 1.003 85 N HN 0.225 nan 8.380 nan 0.000 0.424 86 R N -0.250 120.191 120.500 -0.098 0.000 2.334 86 R HA 0.161 4.501 4.340 0.001 0.000 0.216 86 R C 0.027 176.299 176.300 -0.046 0.000 0.905 86 R CA 0.015 56.091 56.100 -0.040 0.000 1.064 86 R CB 0.205 30.496 30.300 -0.015 0.000 1.046 86 R HN 0.015 nan 8.270 nan 0.000 0.508 87 N N 0.538 119.131 118.700 -0.179 0.000 2.750 87 N HA 0.177 4.917 4.740 0.001 0.000 0.253 87 N C -2.400 173.043 175.510 -0.112 0.000 1.408 87 N CA -2.072 50.872 53.050 -0.176 0.000 0.780 87 N CB 1.408 39.555 38.487 -0.568 0.000 1.191 87 N HN -0.223 nan 8.380 nan 0.000 0.511 88 P HA -0.041 nan 4.420 nan 0.000 0.218 88 P C 0.412 177.678 177.300 -0.056 0.000 1.146 88 P CA 1.194 64.263 63.100 -0.050 0.000 0.813 88 P CB 0.376 32.062 31.700 -0.023 0.000 0.778 89 N N -1.335 117.340 118.700 -0.041 0.000 2.457 89 N HA -0.003 4.737 4.740 0.001 0.000 0.180 89 N C 0.369 175.815 175.510 -0.105 0.000 1.050 89 N CA 0.039 53.058 53.050 -0.052 0.000 0.906 89 N CB -0.578 37.901 38.487 -0.013 0.000 0.968 89 N HN 0.099 nan 8.380 nan 0.000 0.445 90 L N 1.185 122.332 121.223 -0.126 0.000 2.513 90 L HA 0.129 4.469 4.340 0.001 0.000 0.272 90 L C -0.190 176.570 176.870 -0.183 0.000 1.187 90 L CA 0.226 54.964 54.840 -0.170 0.000 0.895 90 L CB 0.262 42.208 42.059 -0.189 0.000 1.147 90 L HN -0.135 nan 8.230 nan 0.000 0.483 91 K N 2.733 122.978 120.400 -0.259 0.000 2.156 91 K HA 0.686 5.006 4.320 0.001 0.000 0.254 91 K C -0.633 175.916 176.600 -0.086 0.000 0.950 91 K CA -0.421 55.739 56.287 -0.210 0.000 0.849 91 K CB 1.868 34.148 32.500 -0.367 0.000 1.100 91 K HN 0.694 nan 8.250 nan 0.000 0.434 92 T N 2.134 116.698 114.554 0.016 0.000 2.876 92 T HA 0.702 5.053 4.350 0.001 0.000 0.289 92 T C -1.260 173.607 174.700 0.279 0.000 1.014 92 T CA -0.667 61.511 62.100 0.129 0.000 0.986 92 T CB 0.903 69.804 68.868 0.054 0.000 1.021 92 T HN 0.178 nan 8.240 nan 0.000 0.458 93 L N 2.158 123.566 121.223 0.309 0.000 2.376 93 L HA 0.710 5.050 4.340 0.001 0.000 0.258 93 L C -1.331 175.522 176.870 -0.028 0.000 1.013 93 L CA -0.864 54.091 54.840 0.193 0.000 0.822 93 L CB 1.780 43.934 42.059 0.160 0.000 1.388 93 L HN 0.437 nan 8.230 nan 0.000 0.413 94 L N 0.735 121.743 121.223 -0.359 0.000 2.305 94 L HA 0.697 5.037 4.340 0.001 0.000 0.284 94 L C -0.208 176.631 176.870 -0.052 0.000 1.013 94 L CA 0.158 54.686 54.840 -0.521 0.000 0.819 94 L CB 1.610 43.002 42.059 -1.112 0.000 1.227 94 L HN 0.581 nan 8.230 nan 0.000 0.417 95 S N 3.876 119.659 115.700 0.138 0.000 2.499 95 S HA 0.628 5.098 4.470 0.001 0.000 0.279 95 S C -0.859 174.006 174.600 0.442 0.000 1.219 95 S CA -0.496 57.911 58.200 0.345 0.000 1.062 95 S CB 1.113 64.626 63.200 0.521 0.000 0.978 95 S HN 0.649 nan 8.310 nan 0.000 0.489 96 V N 6.013 126.158 119.914 0.384 0.000 2.459 96 V HA 0.835 4.955 4.120 0.001 0.000 0.295 96 V C 0.683 176.847 176.094 0.118 0.000 1.029 96 V CA 1.128 63.573 62.300 0.242 0.000 0.874 96 V CB 0.479 32.417 31.823 0.192 0.000 0.985 96 V HN 1.339 nan 8.190 nan 0.000 0.438 97 G N 4.379 113.011 108.800 -0.281 0.000 2.436 97 G HA2 0.479 4.439 3.960 0.001 0.000 0.205 97 G HA3 0.479 4.439 3.960 0.001 0.000 0.205 97 G C 0.681 175.078 174.900 -0.839 0.000 1.188 97 G CA 0.142 44.922 45.100 -0.533 0.000 1.267 97 G HN 2.638 nan 8.290 nan 0.000 0.536 98 G N -1.914 106.348 108.800 -0.896 0.000 2.663 98 G HA2 0.089 4.050 3.960 0.001 0.000 0.686 98 G HA3 0.089 4.050 3.960 0.001 0.000 0.686 98 G C 0.694 175.318 174.900 -0.460 0.000 1.246 98 G CA 0.454 44.731 45.100 -1.372 0.000 0.795 98 G HN 1.897 nan 8.290 nan 0.000 0.627 99 W N 0.829 121.869 121.300 -0.433 0.000 2.325 99 W HA -0.130 4.530 4.660 0.000 0.000 0.299 99 W C 1.429 177.832 176.519 -0.192 0.000 1.215 99 W CA 1.808 58.986 57.345 -0.278 0.000 1.244 99 W CB 0.063 29.389 29.460 -0.225 0.000 1.140 99 W HN 0.533 nan 8.180 nan 0.000 0.523 100 N N 0.294 118.908 118.700 -0.144 0.000 2.362 100 N HA -0.020 4.720 4.740 0.001 0.000 0.211 100 N C 0.786 176.279 175.510 -0.027 0.000 1.170 100 N CA 0.347 53.316 53.050 -0.135 0.000 0.828 100 N CB -0.885 37.551 38.487 -0.085 0.000 1.034 100 N HN 0.136 nan 8.380 nan 0.000 0.475 101 F N 0.877 120.700 119.950 -0.212 0.000 2.220 101 F HA 0.284 4.811 4.527 0.001 0.000 0.290 101 F C 1.048 176.764 175.800 -0.140 0.000 1.080 101 F CA 0.912 58.858 58.000 -0.090 0.000 1.318 101 F CB 0.238 39.158 39.000 -0.133 0.000 1.063 101 F HN 0.083 nan 8.300 nan 0.000 0.498 102 G N 0.404 109.145 108.800 -0.099 0.000 3.035 102 G HA2 -0.148 3.812 3.960 0.001 0.000 0.674 102 G HA3 -0.148 3.812 3.960 0.001 0.000 0.674 102 G C 0.624 175.509 174.900 -0.025 0.000 1.159 102 G CA 0.142 45.130 45.100 -0.186 0.000 1.098 102 G HN 0.699 nan 8.290 nan 0.000 0.473 103 S N 0.859 116.573 115.700 0.023 0.000 2.407 103 S HA -0.268 4.202 4.470 0.001 0.000 0.235 103 S C 2.155 176.837 174.600 0.137 0.000 1.036 103 S CA 1.990 60.315 58.200 0.208 0.000 1.013 103 S CB -0.162 63.198 63.200 0.266 0.000 0.820 103 S HN 0.713 nan 8.310 nan 0.000 0.476 104 Q N 1.783 121.593 119.800 0.017 0.000 2.030 104 Q HA -0.081 4.260 4.340 0.001 0.000 0.204 104 Q C 2.553 178.511 176.000 -0.070 0.000 0.986 104 Q CA 1.696 57.486 55.803 -0.020 0.000 0.843 104 Q CB -0.565 28.129 28.738 -0.072 0.000 0.904 104 Q HN 0.710 nan 8.270 nan 0.000 0.420 105 R N -0.485 119.923 120.500 -0.153 0.000 2.073 105 R HA -0.103 4.237 4.340 0.001 0.000 0.234 105 R C 2.298 178.499 176.300 -0.165 0.000 1.134 105 R CA 1.078 57.045 56.100 -0.222 0.000 0.952 105 R CB -0.581 29.443 30.300 -0.461 0.000 0.850 105 R HN 0.158 nan 8.270 nan 0.000 0.433 106 F N 1.561 121.361 119.950 -0.250 0.000 2.161 106 F HA -0.220 4.307 4.527 0.001 0.000 0.300 106 F C 2.808 178.101 175.800 -0.845 0.000 1.089 106 F CA 1.396 59.002 58.000 -0.655 0.000 1.282 106 F CB -0.599 37.647 39.000 -1.257 0.000 1.010 106 F HN -0.035 nan 8.300 nan 0.000 0.485 107 S N -0.303 115.241 115.700 -0.259 0.000 2.348 107 S HA -0.211 4.259 4.470 0.001 0.000 0.221 107 S C 2.186 176.758 174.600 -0.048 0.000 1.033 107 S CA 1.486 59.695 58.200 0.014 0.000 1.010 107 S CB -0.246 63.090 63.200 0.226 0.000 0.891 107 S HN 0.360 nan 8.310 nan 0.000 0.442 108 K N 0.355 120.709 120.400 -0.076 0.000 2.113 108 K HA -0.085 4.236 4.320 0.001 0.000 0.208 108 K C 2.007 178.541 176.600 -0.111 0.000 1.047 108 K CA 1.758 57.992 56.287 -0.088 0.000 0.928 108 K CB -0.367 32.077 32.500 -0.093 0.000 0.716 108 K HN 0.481 nan 8.250 nan 0.000 0.446 109 I N 0.486 120.966 120.570 -0.150 0.000 2.286 109 I HA -0.205 3.965 4.170 0.001 0.000 0.245 109 I C 2.452 178.513 176.117 -0.094 0.000 1.104 109 I CA 1.011 62.218 61.300 -0.155 0.000 1.397 109 I CB -0.319 37.507 38.000 -0.289 0.000 1.072 109 I HN 0.099 nan 8.210 nan 0.000 0.417 110 A N 0.663 123.436 122.820 -0.078 0.000 2.014 110 A HA -0.136 4.184 4.320 0.001 0.000 0.218 110 A C 2.461 180.010 177.584 -0.059 0.000 1.163 110 A CA 1.695 53.759 52.037 0.044 0.000 0.652 110 A CB -0.571 18.567 19.000 0.230 0.000 0.808 110 A HN 0.510 nan 8.150 nan 0.000 0.449 111 S N -0.051 115.510 115.700 -0.232 0.000 2.425 111 S HA -0.027 4.443 4.470 0.001 0.000 0.225 111 S C 0.908 175.363 174.600 -0.241 0.000 1.024 111 S CA 0.305 58.164 58.200 -0.569 0.000 0.951 111 S CB -0.496 62.390 63.200 -0.523 0.000 0.796 111 S HN 0.507 nan 8.310 nan 0.000 0.498 112 N N 1.974 120.600 118.700 -0.123 0.000 2.420 112 N HA 0.138 4.879 4.740 0.001 0.000 0.262 112 N C 0.441 175.936 175.510 -0.024 0.000 1.144 112 N CA 0.325 53.340 53.050 -0.058 0.000 0.952 112 N CB 1.118 39.576 38.487 -0.048 0.000 1.081 112 N HN 0.225 nan 8.380 nan 0.000 0.480 113 T N 3.585 118.136 114.554 -0.004 0.000 2.737 113 T HA -0.199 4.151 4.350 0.001 0.000 0.269 113 T C 1.446 176.155 174.700 0.015 0.000 1.040 113 T CA 1.619 63.728 62.100 0.015 0.000 1.142 113 T CB 0.114 68.995 68.868 0.022 0.000 0.861 113 T HN 0.583 nan 8.240 nan 0.000 0.456 114 Q N 0.840 120.645 119.800 0.008 0.000 2.049 114 Q HA 0.075 4.416 4.340 0.001 0.000 0.198 114 Q C 2.755 178.759 176.000 0.007 0.000 0.971 114 Q CA 1.229 57.037 55.803 0.008 0.000 0.833 114 Q CB -0.457 28.285 28.738 0.006 0.000 0.896 114 Q HN 0.337 nan 8.270 nan 0.000 0.434 115 S N 0.435 116.135 115.700 -0.000 0.000 2.382 115 S HA -0.176 4.294 4.470 0.001 0.000 0.228 115 S C 1.829 176.449 174.600 0.034 0.000 1.027 115 S CA 1.286 59.483 58.200 -0.004 0.000 0.991 115 S CB -0.202 62.978 63.200 -0.033 0.000 0.823 115 S HN 0.298 nan 8.310 nan 0.000 0.469 116 R N 1.003 121.531 120.500 0.046 0.000 2.081 116 R HA -0.096 4.244 4.340 0.001 0.000 0.235 116 R C 2.445 178.809 176.300 0.107 0.000 1.131 116 R CA 1.393 57.558 56.100 0.108 0.000 0.960 116 R CB -0.121 30.229 30.300 0.085 0.000 0.856 116 R HN 0.115 nan 8.270 nan 0.000 0.436 117 R N 0.185 120.715 120.500 0.049 0.000 2.073 117 R HA -0.051 4.289 4.340 0.001 0.000 0.234 117 R C 1.919 178.218 176.300 -0.003 0.000 1.134 117 R CA 2.507 58.619 56.100 0.021 0.000 0.952 117 R CB -1.000 29.307 30.300 0.012 0.000 0.850 117 R HN 0.199 nan 8.270 nan 0.000 0.433 118 T N 1.052 115.596 114.554 -0.018 0.000 2.684 118 T HA -0.162 4.189 4.350 0.001 0.000 0.267 118 T C 1.430 176.044 174.700 -0.143 0.000 1.036 118 T CA 1.634 63.667 62.100 -0.112 0.000 1.148 118 T CB -0.542 68.240 68.868 -0.143 0.000 0.863 118 T HN 0.267 nan 8.240 nan 0.000 0.436 119 F N 1.774 121.615 119.950 -0.181 0.000 2.069 119 F HA -0.055 4.472 4.527 0.001 0.000 0.298 119 F C 2.052 177.814 175.800 -0.064 0.000 1.113 119 F CA 0.838 58.753 58.000 -0.141 0.000 1.214 119 F CB -0.728 38.220 39.000 -0.087 0.000 0.978 119 F HN 0.095 nan 8.300 nan 0.000 0.474 120 I N 0.351 120.795 120.570 -0.210 0.000 2.163 120 I HA -0.353 3.817 4.170 0.001 0.000 0.243 120 I C 2.591 178.619 176.117 -0.149 0.000 1.085 120 I CA 1.884 63.029 61.300 -0.257 0.000 1.347 120 I CB -0.631 37.313 38.000 -0.093 0.000 1.044 120 I HN 0.167 nan 8.210 nan 0.000 0.408 121 K N 0.921 121.269 120.400 -0.087 0.000 2.097 121 K HA -0.189 4.132 4.320 0.001 0.000 0.206 121 K C 2.227 178.814 176.600 -0.021 0.000 1.049 121 K CA 1.797 58.065 56.287 -0.032 0.000 0.933 121 K CB -0.041 32.448 32.500 -0.018 0.000 0.717 121 K HN 0.379 nan 8.250 nan 0.000 0.442 122 S N -0.449 115.207 115.700 -0.072 0.000 2.489 122 S HA -0.040 4.430 4.470 0.001 0.000 0.228 122 S C 1.845 176.463 174.600 0.030 0.000 0.995 122 S CA 0.700 58.912 58.200 0.019 0.000 0.934 122 S CB -0.060 63.150 63.200 0.017 0.000 0.771 122 S HN 0.093 nan 8.310 nan 0.000 0.522 123 V N 3.024 122.889 119.914 -0.082 0.000 2.244 123 V HA -0.023 4.097 4.120 0.001 0.000 0.244 123 V C -0.255 175.879 176.094 0.067 0.000 1.042 123 V CA 1.723 64.008 62.300 -0.024 0.000 1.006 123 V CB -1.743 30.041 31.823 -0.066 0.000 0.641 123 V HN 0.361 nan 8.190 nan 0.000 0.446 124 P HA -0.118 nan 4.420 nan 0.000 0.215 124 P C -1.372 175.934 177.300 0.011 0.000 1.157 124 P CA 2.077 65.139 63.100 -0.063 0.000 0.874 124 P CB -1.225 30.446 31.700 -0.049 0.000 0.790 125 P HA -0.177 nan 4.420 nan 0.000 0.215 125 P C 1.505 178.871 177.300 0.110 0.000 1.153 125 P CA 1.121 64.264 63.100 0.072 0.000 0.853 125 P CB -0.496 31.265 31.700 0.101 0.000 0.788 126 F N -0.085 119.903 119.950 0.063 0.000 2.134 126 F HA -0.167 4.360 4.527 0.000 0.000 0.299 126 F C 1.996 177.913 175.800 0.194 0.000 1.097 126 F CA 1.497 59.592 58.000 0.158 0.000 1.264 126 F CB -0.730 38.385 39.000 0.191 0.000 1.001 126 F HN -0.249 nan 8.300 nan 0.000 0.479 127 L N -0.521 120.865 121.223 0.272 0.000 2.056 127 L HA -0.175 4.165 4.340 0.001 0.000 0.207 127 L C 2.639 179.552 176.870 0.073 0.000 1.078 127 L CA 0.843 55.807 54.840 0.207 0.000 0.749 127 L CB -0.667 41.446 42.059 0.090 0.000 0.901 127 L HN 0.000 nan 8.230 nan 0.000 0.433 128 R N -0.273 120.218 120.500 -0.014 0.000 2.075 128 R HA -0.073 4.267 4.340 0.001 0.000 0.232 128 R C 2.235 178.457 176.300 -0.129 0.000 1.126 128 R CA 1.491 57.550 56.100 -0.069 0.000 0.963 128 R CB -1.274 28.984 30.300 -0.069 0.000 0.858 128 R HN 0.298 nan 8.270 nan 0.000 0.435 129 T N 0.073 114.508 114.554 -0.197 0.000 2.833 129 T HA -0.108 4.243 4.350 0.001 0.000 0.269 129 T C 0.869 175.246 174.700 -0.539 0.000 1.054 129 T CA 1.392 63.263 62.100 -0.383 0.000 1.135 129 T CB -0.165 68.393 68.868 -0.517 0.000 0.869 129 T HN 0.487 nan 8.240 nan 0.000 0.466 130 H N -0.845 118.117 119.070 -0.179 0.000 2.594 130 H HA 0.436 4.992 4.556 0.001 0.000 0.279 130 H C 1.473 176.605 175.328 -0.326 0.000 1.042 130 H CA 0.095 56.032 56.048 -0.186 0.000 1.177 130 H CB 0.407 30.103 29.762 -0.111 0.000 1.524 130 H HN 0.359 nan 8.280 nan 0.000 0.537 131 G N 0.387 109.071 108.800 -0.192 0.000 2.147 131 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 131 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 131 G C -0.287 174.401 174.900 -0.354 0.000 1.005 131 G CA -0.263 44.677 45.100 -0.267 0.000 0.713 131 G HN 0.208 nan 8.290 nan 0.000 0.515 132 F N 0.353 120.236 119.950 -0.111 0.000 2.379 132 F HA 0.455 4.982 4.527 0.000 0.000 0.332 132 F C 1.289 177.037 175.800 -0.087 0.000 1.096 132 F CA -0.754 57.184 58.000 -0.103 0.000 1.105 132 F CB 1.046 39.983 39.000 -0.105 0.000 1.189 132 F HN -0.021 nan 8.300 nan 0.000 0.515 133 D N 1.031 121.522 120.400 0.152 0.000 2.350 133 D HA 0.246 4.887 4.640 0.001 0.000 0.213 133 D C 0.775 177.109 176.300 0.057 0.000 1.031 133 D CA 0.519 54.556 54.000 0.062 0.000 0.861 133 D CB 0.688 41.516 40.800 0.046 0.000 0.926 133 D HN 0.666 nan 8.370 nan 0.000 0.520 134 G N 0.341 109.194 108.800 0.088 0.000 2.342 134 G HA2 0.375 4.336 3.960 0.001 0.000 0.297 134 G HA3 0.375 4.336 3.960 0.001 0.000 0.297 134 G C -2.298 172.649 174.900 0.079 0.000 1.313 134 G CA -0.806 44.328 45.100 0.058 0.000 0.830 134 G HN 0.053 nan 8.290 nan 0.000 0.506 135 L N 0.229 121.556 121.223 0.173 0.000 2.346 135 L HA 0.841 5.181 4.340 0.001 0.000 0.276 135 L C -1.278 175.675 176.870 0.139 0.000 1.006 135 L CA -0.623 54.320 54.840 0.171 0.000 0.817 135 L CB 2.190 44.433 42.059 0.308 0.000 1.272 135 L HN 0.610 nan 8.230 nan 0.000 0.421 136 D N 3.756 124.243 120.400 0.145 0.000 2.408 136 D HA 0.390 5.030 4.640 0.001 0.000 0.243 136 D C -1.217 175.235 176.300 0.254 0.000 1.075 136 D CA -0.139 53.960 54.000 0.165 0.000 0.832 136 D CB 1.035 41.970 40.800 0.226 0.000 1.162 136 D HN 0.533 nan 8.370 nan 0.000 0.515 137 L N 3.109 124.467 121.223 0.226 0.000 2.265 137 L HA 0.595 4.935 4.340 0.001 0.000 0.288 137 L C 0.197 177.253 176.870 0.310 0.000 1.058 137 L CA -0.693 54.324 54.840 0.295 0.000 0.809 137 L CB 1.425 43.637 42.059 0.255 0.000 1.179 137 L HN 0.583 nan 8.230 nan 0.000 0.429 138 A N 4.336 127.347 122.820 0.318 0.000 3.165 138 A HA 0.176 4.497 4.320 0.001 0.000 0.331 138 A C -0.965 176.697 177.584 0.130 0.000 1.034 138 A CA -0.442 51.745 52.037 0.250 0.000 0.906 138 A CB -0.021 19.190 19.000 0.352 0.000 1.054 138 A HN 0.712 nan 8.150 nan 0.000 0.484 139 W N 3.638 124.791 121.300 -0.244 0.000 2.433 139 W HA 0.523 5.184 4.660 0.001 0.000 0.331 139 W C -1.352 174.943 176.519 -0.373 0.000 1.110 139 W CA -1.157 55.851 57.345 -0.561 0.000 1.450 139 W CB 0.248 29.096 29.460 -1.019 0.000 1.348 139 W HN 0.367 nan 8.180 nan 0.000 0.415 140 L N 9.132 130.327 121.223 -0.046 0.000 2.335 140 L HA 0.361 4.701 4.340 0.001 0.000 0.268 140 L C -1.156 175.371 176.870 -0.571 0.000 1.037 140 L CA -0.664 53.723 54.840 -0.754 0.000 0.895 140 L CB -0.358 41.155 42.059 -0.910 0.000 1.266 140 L HN 0.215 nan 8.230 nan 0.000 0.439 141 Y N 1.159 121.452 120.300 -0.011 0.000 2.625 141 Y HA 0.540 5.090 4.550 0.001 0.000 0.338 141 Y C -2.491 173.043 175.900 -0.609 0.000 1.123 141 Y CA -2.911 55.015 58.100 -0.290 0.000 1.046 141 Y CB 1.152 39.442 38.460 -0.283 0.000 1.299 141 Y HN 0.274 nan 8.280 nan 0.000 0.464 142 P HA 0.147 nan 4.420 nan 0.000 0.269 142 P C 0.029 177.031 177.300 -0.496 0.000 1.217 142 P CA 0.151 62.520 63.100 -1.219 0.000 0.783 142 P CB 0.620 31.423 31.700 -1.494 0.000 0.898 143 G N -0.130 108.515 108.800 -0.258 0.000 2.557 143 G HA2 0.457 4.418 3.960 0.001 0.000 0.302 143 G HA3 0.457 4.418 3.960 0.001 0.000 0.302 143 G C 1.158 175.954 174.900 -0.173 0.000 1.311 143 G CA -0.257 44.752 45.100 -0.153 0.000 1.030 143 G HN 0.416 nan 8.290 nan 0.000 0.509 144 R N -1.466 118.959 120.500 -0.125 0.000 2.120 144 R HA 0.033 4.374 4.340 0.001 0.000 0.234 144 R C 2.633 178.884 176.300 -0.082 0.000 1.123 144 R CA 2.251 58.282 56.100 -0.114 0.000 0.975 144 R CB -1.523 28.727 30.300 -0.084 0.000 0.866 144 R HN 0.812 nan 8.270 nan 0.000 0.446 145 R N 1.201 121.676 120.500 -0.041 0.000 2.235 145 R HA 0.003 4.343 4.340 0.001 0.000 0.213 145 R C 1.414 177.742 176.300 0.046 0.000 1.059 145 R CA 1.315 57.419 56.100 0.006 0.000 0.997 145 R CB -0.490 29.841 30.300 0.051 0.000 0.884 145 R HN 0.634 nan 8.270 nan 0.000 0.462 146 D N -0.870 119.546 120.400 0.027 0.000 2.398 146 D HA 0.048 4.689 4.640 0.001 0.000 0.210 146 D C 1.203 177.470 176.300 -0.054 0.000 1.094 146 D CA 0.039 54.107 54.000 0.114 0.000 0.839 146 D CB 0.479 41.364 40.800 0.141 0.000 0.963 146 D HN 0.493 nan 8.370 nan 0.000 0.506 147 K N 1.027 121.354 120.400 -0.122 0.000 2.034 147 K HA -0.264 4.056 4.320 0.001 0.000 0.214 147 K C 1.763 178.364 176.600 0.001 0.000 1.051 147 K CA 1.549 57.786 56.287 -0.083 0.000 0.931 147 K CB 0.291 32.736 32.500 -0.091 0.000 0.715 147 K HN -0.133 nan 8.250 nan 0.000 0.446 148 Q N -0.482 119.265 119.800 -0.088 0.000 2.079 148 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 148 Q C 2.039 178.041 176.000 0.003 0.000 0.974 148 Q CA 1.519 57.273 55.803 -0.081 0.000 0.840 148 Q CB -0.231 28.403 28.738 -0.174 0.000 0.898 148 Q HN 0.480 nan 8.270 nan 0.000 0.430 149 H N -1.166 117.980 119.070 0.126 0.000 2.352 149 H HA -0.131 4.425 4.556 0.001 0.000 0.299 149 H C 1.749 177.237 175.328 0.266 0.000 1.097 149 H CA 1.257 57.420 56.048 0.193 0.000 1.311 149 H CB -0.528 29.395 29.762 0.268 0.000 1.377 149 H HN 0.234 nan 8.280 nan 0.000 0.504 150 F N 1.875 121.917 119.950 0.152 0.000 2.102 150 F HA -0.211 4.316 4.527 0.001 0.000 0.298 150 F C 2.346 178.189 175.800 0.072 0.000 1.105 150 F CA 1.596 59.638 58.000 0.069 0.000 1.239 150 F CB -0.592 38.297 39.000 -0.184 0.000 0.991 150 F HN -0.001 nan 8.300 nan 0.000 0.474 151 T N -0.607 113.986 114.554 0.064 0.000 2.708 151 T HA -0.186 4.164 4.350 0.001 0.000 0.266 151 T C 1.921 176.577 174.700 -0.074 0.000 1.037 151 T CA 2.152 64.222 62.100 -0.050 0.000 1.146 151 T CB -0.646 68.235 68.868 0.021 0.000 0.865 151 T HN 0.288 nan 8.240 nan 0.000 0.435 152 T N 2.427 116.986 114.554 0.009 0.000 2.708 152 T HA -0.056 4.294 4.350 0.001 0.000 0.266 152 T C 1.900 176.583 174.700 -0.028 0.000 1.037 152 T CA 0.984 63.085 62.100 0.001 0.000 1.146 152 T CB -0.514 68.407 68.868 0.088 0.000 0.865 152 T HN 0.135 nan 8.240 nan 0.000 0.435 153 L N 1.159 122.407 121.223 0.042 0.000 1.990 153 L HA -0.038 4.303 4.340 0.001 0.000 0.213 153 L C 2.164 178.974 176.870 -0.099 0.000 1.072 153 L CA 1.662 56.531 54.840 0.050 0.000 0.755 153 L CB -0.722 41.460 42.059 0.205 0.000 0.889 153 L HN 0.284 nan 8.230 nan 0.000 0.432 154 I N -0.565 119.870 120.570 -0.225 0.000 2.226 154 I HA -0.301 3.869 4.170 0.001 0.000 0.245 154 I C 2.605 178.522 176.117 -0.333 0.000 1.100 154 I CA 1.578 62.695 61.300 -0.305 0.000 1.374 154 I CB -0.439 37.319 38.000 -0.402 0.000 1.057 154 I HN 0.366 nan 8.210 nan 0.000 0.413 155 K N 1.298 121.461 120.400 -0.394 0.000 2.026 155 K HA -0.213 4.107 4.320 0.001 0.000 0.208 155 K C 1.904 178.254 176.600 -0.416 0.000 1.048 155 K CA 1.717 57.602 56.287 -0.671 0.000 0.929 155 K CB -0.025 32.134 32.500 -0.568 0.000 0.713 155 K HN 0.340 nan 8.250 nan 0.000 0.439 156 E N 0.103 120.151 120.200 -0.253 0.000 2.152 156 E HA -0.174 4.176 4.350 0.001 0.000 0.192 156 E C 1.933 178.411 176.600 -0.203 0.000 0.983 156 E CA 1.012 57.308 56.400 -0.173 0.000 0.818 156 E CB -0.057 29.589 29.700 -0.091 0.000 0.758 156 E HN 0.251 nan 8.360 nan 0.000 0.467 157 M N 1.378 120.813 119.600 -0.274 0.000 2.117 157 M HA -0.152 4.328 4.480 0.001 0.000 0.262 157 M C 2.004 177.898 176.300 -0.676 0.000 1.065 157 M CA 1.606 56.636 55.300 -0.450 0.000 1.114 157 M CB 0.055 32.361 32.600 -0.489 0.000 1.361 157 M HN -0.221 nan 8.290 nan 0.000 0.408 158 K N 0.312 120.407 120.400 -0.508 0.000 2.097 158 K HA 0.055 4.376 4.320 0.001 0.000 0.206 158 K C 1.778 178.288 176.600 -0.150 0.000 1.049 158 K CA 1.714 57.787 56.287 -0.357 0.000 0.933 158 K CB -0.783 31.610 32.500 -0.178 0.000 0.717 158 K HN 0.400 nan 8.250 nan 0.000 0.442 159 A N 0.631 123.364 122.820 -0.144 0.000 1.865 159 A HA -0.198 4.122 4.320 0.001 0.000 0.217 159 A C 2.165 179.752 177.584 0.004 0.000 1.191 159 A CA 2.058 54.063 52.037 -0.055 0.000 0.623 159 A CB -0.816 18.141 19.000 -0.071 0.000 0.826 159 A HN 0.476 nan 8.150 nan 0.000 0.444 160 E N -0.573 119.623 120.200 -0.006 0.000 2.058 160 E HA -0.175 4.176 4.350 0.001 0.000 0.194 160 E C 1.616 178.367 176.600 0.252 0.000 0.997 160 E CA 1.491 57.947 56.400 0.094 0.000 0.801 160 E CB -0.453 29.298 29.700 0.085 0.000 0.746 160 E HN 0.508 nan 8.360 nan 0.000 0.450 161 F N 0.391 120.325 119.950 -0.026 0.000 2.134 161 F HA -0.092 4.435 4.527 0.001 0.000 0.299 161 F C 2.280 178.079 175.800 -0.002 0.000 1.097 161 F CA 0.750 58.742 58.000 -0.013 0.000 1.264 161 F CB -0.849 38.144 39.000 -0.011 0.000 1.001 161 F HN 0.106 nan 8.300 nan 0.000 0.479 162 I N -0.223 120.467 120.570 0.200 0.000 2.252 162 I HA -0.306 3.865 4.170 0.001 0.000 0.245 162 I C 2.560 178.724 176.117 0.079 0.000 1.102 162 I CA 1.332 62.700 61.300 0.112 0.000 1.385 162 I CB -0.456 37.591 38.000 0.078 0.000 1.064 162 I HN 0.079 nan 8.210 nan 0.000 0.414 163 K N 1.076 121.522 120.400 0.076 0.000 2.002 163 K HA -0.261 4.059 4.320 0.001 0.000 0.209 163 K C 2.201 178.828 176.600 0.046 0.000 1.048 163 K CA 1.617 57.935 56.287 0.052 0.000 0.930 163 K CB -0.203 32.325 32.500 0.047 0.000 0.714 163 K HN 0.129 nan 8.250 nan 0.000 0.438 164 E N 0.279 120.513 120.200 0.057 0.000 2.219 164 E HA -0.187 4.164 4.350 0.001 0.000 0.198 164 E C 1.141 177.748 176.600 0.011 0.000 0.998 164 E CA 1.417 57.834 56.400 0.028 0.000 0.818 164 E CB 0.027 29.735 29.700 0.014 0.000 0.741 164 E HN 0.451 nan 8.360 nan 0.000 0.477 165 A N -0.261 122.571 122.820 0.021 0.000 2.348 165 A HA 0.196 4.516 4.320 0.001 0.000 0.224 165 A C 2.112 179.706 177.584 0.016 0.000 1.227 165 A CA 0.891 52.934 52.037 0.011 0.000 0.885 165 A CB -0.225 18.783 19.000 0.013 0.000 0.933 165 A HN 0.331 nan 8.150 nan 0.000 0.506 166 Q N 1.326 121.140 119.800 0.023 0.000 2.156 166 Q HA -0.220 4.120 4.340 0.001 0.000 0.211 166 Q C 0.429 176.437 176.000 0.013 0.000 0.995 166 Q CA 2.207 58.023 55.803 0.020 0.000 0.877 166 Q CB -2.733 26.018 28.738 0.022 0.000 0.920 166 Q HN 0.716 nan 8.270 nan 0.000 0.416 167 P HA 0.005 nan 4.420 nan 0.000 0.219 167 P C 0.882 178.184 177.300 0.003 0.000 1.146 167 P CA 1.970 65.073 63.100 0.005 0.000 0.808 167 P CB -0.041 31.660 31.700 0.002 0.000 0.779 168 G N -1.206 107.596 108.800 0.003 0.000 2.731 168 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 168 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 168 G C -0.017 174.882 174.900 -0.002 0.000 0.989 168 G CA -0.605 44.496 45.100 0.001 0.000 0.871 168 G HN 0.272 nan 8.290 nan 0.000 0.591 169 K N 0.209 120.606 120.400 -0.005 0.000 2.118 169 K HA 0.409 4.729 4.320 0.001 0.000 0.240 169 K C 0.323 176.918 176.600 -0.008 0.000 1.035 169 K CA -0.526 55.754 56.287 -0.012 0.000 0.899 169 K CB 0.990 33.477 32.500 -0.021 0.000 1.085 169 K HN 0.089 nan 8.250 nan 0.000 0.498 170 K N 2.283 122.674 120.400 -0.015 0.000 2.292 170 K HA -0.034 4.287 4.320 0.001 0.000 0.290 170 K C -0.244 176.350 176.600 -0.010 0.000 1.083 170 K CA -0.022 56.260 56.287 -0.008 0.000 0.918 170 K CB 0.492 32.984 32.500 -0.014 0.000 1.089 170 K HN 0.373 nan 8.250 nan 0.000 0.473 171 Q N 4.179 123.984 119.800 0.009 0.000 2.304 171 Q HA -0.045 4.295 4.340 0.001 0.000 0.301 171 Q C -0.551 175.451 176.000 0.003 0.000 1.063 171 Q CA 0.063 55.876 55.803 0.018 0.000 0.947 171 Q CB 0.539 29.313 28.738 0.060 0.000 1.201 171 Q HN 0.608 nan 8.270 nan 0.000 0.389 172 L N 4.353 125.531 121.223 -0.076 0.000 2.461 172 L HA 0.090 4.430 4.340 0.001 0.000 0.272 172 L C 0.053 176.963 176.870 0.066 0.000 1.197 172 L CA -0.111 54.625 54.840 -0.173 0.000 0.836 172 L CB 0.215 41.840 42.059 -0.723 0.000 1.105 172 L HN 0.581 nan 8.230 nan 0.000 0.477 173 L N 3.520 124.808 121.223 0.107 0.000 2.375 173 L HA 0.414 4.754 4.340 0.001 0.000 0.271 173 L C -0.465 176.566 176.870 0.268 0.000 1.107 173 L CA -0.521 54.437 54.840 0.197 0.000 0.806 173 L CB 1.431 43.612 42.059 0.204 0.000 1.146 173 L HN 0.378 nan 8.230 nan 0.000 0.447 174 L N 2.708 124.025 121.223 0.156 0.000 2.376 174 L HA 0.549 4.889 4.340 0.001 0.000 0.275 174 L C -0.198 176.545 176.870 -0.213 0.000 0.987 174 L CA 0.189 55.055 54.840 0.043 0.000 0.828 174 L CB 1.688 43.712 42.059 -0.058 0.000 1.249 174 L HN 0.738 nan 8.230 nan 0.000 0.409 175 S N 3.455 118.970 115.700 -0.307 0.000 2.745 175 S HA 1.046 5.516 4.470 0.001 0.000 0.306 175 S C -0.705 173.776 174.600 -0.197 0.000 1.137 175 S CA -0.283 57.587 58.200 -0.551 0.000 0.900 175 S CB 1.906 64.353 63.200 -1.255 0.000 1.176 175 S HN 1.238 nan 8.310 nan 0.000 0.520 176 A N -0.152 122.599 122.820 -0.114 0.000 2.517 176 A HA 0.829 5.150 4.320 0.001 0.000 0.297 176 A C -0.636 177.033 177.584 0.142 0.000 1.050 176 A CA -0.422 51.652 52.037 0.062 0.000 0.694 176 A CB 1.091 20.115 19.000 0.041 0.000 1.277 176 A HN 1.758 nan 8.150 nan 0.000 0.400 177 A N 2.512 125.467 122.820 0.226 0.000 2.252 177 A HA 0.691 5.012 4.320 0.001 0.000 0.309 177 A C -0.441 177.232 177.584 0.148 0.000 1.285 177 A CA -0.189 51.992 52.037 0.240 0.000 0.900 177 A CB -0.146 19.039 19.000 0.307 0.000 1.157 177 A HN 0.825 nan 8.150 nan 0.000 0.536 178 L N 1.849 123.118 121.223 0.077 0.000 2.330 178 L HA 0.506 4.846 4.340 0.001 0.000 0.271 178 L C 0.910 177.867 176.870 0.146 0.000 1.013 178 L CA -0.756 54.089 54.840 0.008 0.000 0.816 178 L CB 1.949 43.815 42.059 -0.321 0.000 1.287 178 L HN 0.707 nan 8.230 nan 0.000 0.435 179 S N 0.765 116.666 115.700 0.334 0.000 2.568 179 S HA 0.269 4.740 4.470 0.001 0.000 0.282 179 S C 0.776 175.436 174.600 0.101 0.000 1.338 179 S CA 0.188 58.481 58.200 0.156 0.000 1.045 179 S CB 1.206 64.312 63.200 -0.157 0.000 0.873 179 S HN 0.718 nan 8.310 nan 0.000 0.516 180 A N 3.635 126.447 122.820 -0.013 0.000 2.348 180 A HA 0.453 4.773 4.320 0.001 0.000 0.224 180 A C 0.992 178.731 177.584 0.258 0.000 1.227 180 A CA 0.194 52.293 52.037 0.103 0.000 0.885 180 A CB -0.464 18.530 19.000 -0.009 0.000 0.933 180 A HN 0.961 nan 8.150 nan 0.000 0.506 181 G N -0.150 108.723 108.800 0.122 0.000 2.355 181 G HA2 0.328 4.289 3.960 0.001 0.000 0.276 181 G HA3 0.328 4.289 3.960 0.001 0.000 0.276 181 G C 0.662 175.625 174.900 0.106 0.000 1.198 181 G CA -0.136 45.058 45.100 0.156 0.000 0.876 181 G HN 0.375 nan 8.290 nan 0.000 0.478 182 K N 2.203 122.678 120.400 0.126 0.000 2.044 182 K HA -0.164 4.156 4.320 0.001 0.000 0.210 182 K C 2.375 178.942 176.600 -0.054 0.000 1.049 182 K CA 1.644 57.938 56.287 0.011 0.000 0.927 182 K CB -0.129 32.157 32.500 -0.357 0.000 0.713 182 K HN 0.356 nan 8.250 nan 0.000 0.443 183 V N 0.888 120.749 119.914 -0.087 0.000 2.287 183 V HA -0.273 3.847 4.120 0.001 0.000 0.248 183 V C 2.236 178.234 176.094 -0.160 0.000 1.053 183 V CA 2.413 64.649 62.300 -0.108 0.000 1.027 183 V CB -0.730 31.044 31.823 -0.081 0.000 0.646 183 V HN 0.500 nan 8.190 nan 0.000 0.447 184 T N 0.123 114.545 114.554 -0.220 0.000 2.777 184 T HA -0.090 4.260 4.350 0.001 0.000 0.266 184 T C 1.836 176.259 174.700 -0.460 0.000 1.040 184 T CA 1.669 63.532 62.100 -0.397 0.000 1.141 184 T CB -0.273 68.243 68.868 -0.587 0.000 0.868 184 T HN 0.331 nan 8.240 nan 0.000 0.444 185 I N 1.420 121.848 120.570 -0.235 0.000 2.163 185 I HA -0.197 3.973 4.170 0.001 0.000 0.243 185 I C 2.318 178.376 176.117 -0.099 0.000 1.085 185 I CA 1.286 62.533 61.300 -0.089 0.000 1.347 185 I CB -0.375 37.742 38.000 0.195 0.000 1.044 185 I HN 0.147 nan 8.210 nan 0.000 0.408 186 D N 0.319 120.697 120.400 -0.037 0.000 2.144 186 D HA -0.138 4.503 4.640 0.001 0.000 0.199 186 D C 2.340 178.577 176.300 -0.105 0.000 0.984 186 D CA 1.858 55.842 54.000 -0.027 0.000 0.834 186 D CB -0.099 40.701 40.800 0.001 0.000 0.955 186 D HN 0.389 nan 8.370 nan 0.000 0.465 187 S N -1.035 114.556 115.700 -0.181 0.000 2.470 187 S HA 0.082 4.553 4.470 0.001 0.000 0.222 187 S C 1.917 176.352 174.600 -0.275 0.000 1.024 187 S CA 0.305 58.389 58.200 -0.194 0.000 0.931 187 S CB 0.375 63.465 63.200 -0.183 0.000 0.791 187 S HN -0.013 nan 8.310 nan 0.000 0.513 188 S N -0.043 115.379 115.700 -0.463 0.000 2.499 188 S HA 0.382 4.853 4.470 0.001 0.000 0.225 188 S C -0.543 173.792 174.600 -0.442 0.000 1.050 188 S CA -0.192 57.629 58.200 -0.633 0.000 0.928 188 S CB -0.082 62.472 63.200 -1.076 0.000 0.803 188 S HN 0.589 nan 8.310 nan 0.000 0.506 189 Y N 1.495 121.724 120.300 -0.118 0.000 2.446 189 Y HA 0.585 5.135 4.550 0.000 0.000 0.338 189 Y C -0.159 175.736 175.900 -0.008 0.000 1.055 189 Y CA -2.379 55.712 58.100 -0.015 0.000 1.101 189 Y CB 0.504 38.971 38.460 0.011 0.000 1.221 189 Y HN -0.092 nan 8.280 nan 0.000 0.460 190 D N 3.240 123.763 120.400 0.205 0.000 2.514 190 D HA 0.189 4.829 4.640 0.001 0.000 0.267 190 D C 1.046 177.386 176.300 0.067 0.000 1.165 190 D CA -0.034 54.019 54.000 0.088 0.000 0.958 190 D CB 0.250 41.087 40.800 0.061 0.000 0.992 190 D HN 0.428 nan 8.370 nan 0.000 0.506 191 I N 1.675 122.277 120.570 0.052 0.000 2.113 191 I HA -0.352 3.819 4.170 0.001 0.000 0.242 191 I C 2.381 178.483 176.117 -0.026 0.000 1.057 191 I CA 1.355 62.655 61.300 0.001 0.000 1.314 191 I CB -1.445 36.530 38.000 -0.041 0.000 1.022 191 I HN 0.321 nan 8.210 nan 0.000 0.408 192 A N 0.271 123.072 122.820 -0.033 0.000 1.883 192 A HA -0.270 4.050 4.320 0.001 0.000 0.217 192 A C 2.364 179.923 177.584 -0.043 0.000 1.186 192 A CA 2.251 54.263 52.037 -0.041 0.000 0.624 192 A CB -0.536 18.441 19.000 -0.038 0.000 0.822 192 A HN 0.276 nan 8.150 nan 0.000 0.444 193 K N 0.117 120.505 120.400 -0.020 0.000 2.001 193 K HA -0.048 4.273 4.320 0.001 0.000 0.208 193 K C 1.842 178.441 176.600 -0.001 0.000 1.048 193 K CA 1.638 57.921 56.287 -0.007 0.000 0.932 193 K CB -0.553 31.965 32.500 0.030 0.000 0.715 193 K HN 0.720 nan 8.250 nan 0.000 0.437 194 I N -2.159 118.415 120.570 0.006 0.000 2.493 194 I HA -0.119 4.052 4.170 0.001 0.000 0.254 194 I C 1.504 177.591 176.117 -0.051 0.000 1.160 194 I CA 1.195 62.489 61.300 -0.008 0.000 1.445 194 I CB -0.260 37.687 38.000 -0.090 0.000 1.086 194 I HN -0.118 nan 8.210 nan 0.000 0.433 195 S N 1.099 116.759 115.700 -0.066 0.000 2.419 195 S HA -0.176 4.294 4.470 0.001 0.000 0.233 195 S C 1.949 176.488 174.600 -0.103 0.000 1.016 195 S CA 1.505 59.664 58.200 -0.068 0.000 0.974 195 S CB -0.296 62.870 63.200 -0.055 0.000 0.786 195 S HN 0.624 nan 8.310 nan 0.000 0.492 196 Q N -0.053 119.632 119.800 -0.191 0.000 2.119 196 Q HA -0.079 4.262 4.340 0.001 0.000 0.201 196 Q C 1.700 177.499 176.000 -0.334 0.000 0.972 196 Q CA 1.086 56.707 55.803 -0.302 0.000 0.847 196 Q CB -0.167 28.288 28.738 -0.472 0.000 0.903 196 Q HN 0.655 nan 8.270 nan 0.000 0.433 197 H N -0.406 118.624 119.070 -0.067 0.000 2.525 197 H HA 0.148 4.705 4.556 0.001 0.000 0.275 197 H C 0.571 175.843 175.328 -0.093 0.000 0.984 197 H CA 0.335 56.333 56.048 -0.083 0.000 1.264 197 H CB 0.263 29.956 29.762 -0.116 0.000 1.432 197 H HN 0.139 nan 8.280 nan 0.000 0.549 198 L N 1.581 122.799 121.223 -0.009 0.000 2.371 198 L HA 0.048 4.388 4.340 0.001 0.000 0.272 198 L C 1.231 178.087 176.870 -0.023 0.000 1.124 198 L CA -0.261 54.546 54.840 -0.056 0.000 0.816 198 L CB 1.053 43.058 42.059 -0.091 0.000 1.129 198 L HN 0.014 nan 8.230 nan 0.000 0.448 199 D N 1.878 122.257 120.400 -0.035 0.000 2.234 199 D HA 0.029 4.669 4.640 0.001 0.000 0.205 199 D C -0.246 176.177 176.300 0.204 0.000 0.962 199 D CA 1.237 55.282 54.000 0.076 0.000 0.855 199 D CB 0.393 41.264 40.800 0.118 0.000 0.951 199 D HN 0.350 nan 8.370 nan 0.000 0.500 200 F N -1.167 118.796 119.950 0.020 0.000 2.746 200 F HA 0.440 4.967 4.527 0.000 0.000 0.311 200 F C -2.030 173.781 175.800 0.019 0.000 1.135 200 F CA -1.342 56.662 58.000 0.008 0.000 0.954 200 F CB 0.597 39.587 39.000 -0.018 0.000 1.276 200 F HN -0.374 nan 8.300 nan 0.000 0.440 201 I N 2.337 123.084 120.570 0.296 0.000 2.433 201 I HA 0.448 4.619 4.170 0.001 0.000 0.292 201 I C -0.532 175.753 176.117 0.280 0.000 1.001 201 I CA -0.836 60.576 61.300 0.185 0.000 1.119 201 I CB 2.163 40.207 38.000 0.072 0.000 1.289 201 I HN 0.654 nan 8.210 nan 0.000 0.438 202 S N 6.845 122.717 115.700 0.286 0.000 2.420 202 S HA 0.450 4.921 4.470 0.001 0.000 0.313 202 S C -0.269 174.445 174.600 0.190 0.000 1.079 202 S CA -0.422 57.956 58.200 0.296 0.000 1.104 202 S CB 0.741 64.201 63.200 0.432 0.000 0.969 202 S HN 0.448 nan 8.310 nan 0.000 0.471 203 I N 4.441 125.095 120.570 0.141 0.000 2.325 203 I HA 0.279 4.449 4.170 0.001 0.000 0.291 203 I C -0.006 176.116 176.117 0.010 0.000 1.019 203 I CA -0.738 60.608 61.300 0.076 0.000 1.302 203 I CB 0.605 38.656 38.000 0.085 0.000 1.401 203 I HN 0.619 nan 8.210 nan 0.000 0.485 204 M N 7.398 126.922 119.600 -0.128 0.000 3.442 204 M HA 0.093 4.573 4.480 0.001 0.000 0.232 204 M C 0.443 176.259 176.300 -0.807 0.000 1.508 204 M CA -0.136 54.833 55.300 -0.552 0.000 1.647 204 M CB -0.861 31.397 32.600 -0.570 0.000 1.126 204 M HN 0.562 nan 8.290 nan 0.000 0.557 205 T N 0.292 114.592 114.554 -0.422 0.000 4.475 205 T HA 0.279 4.629 4.350 0.001 0.000 0.254 205 T C -0.502 174.071 174.700 -0.211 0.000 1.160 205 T CA -0.209 61.758 62.100 -0.221 0.000 1.091 205 T CB -1.174 67.786 68.868 0.153 0.000 1.377 205 T HN 0.572 nan 8.240 nan 0.000 1.057 206 Y N -2.796 117.229 120.300 -0.459 0.000 2.871 206 Y HA 0.513 5.064 4.550 0.001 0.000 0.331 206 Y C -0.359 175.385 175.900 -0.260 0.000 1.378 206 Y CA -1.820 56.131 58.100 -0.249 0.000 1.079 206 Y CB -0.093 38.352 38.460 -0.025 0.000 1.441 206 Y HN 0.123 nan 8.280 nan 0.000 0.446 207 D N -0.297 120.440 120.400 0.562 0.000 2.837 207 D HA -0.196 4.444 4.640 0.001 0.000 0.230 207 D C 0.192 176.626 176.300 0.224 0.000 1.152 207 D CA 1.139 55.354 54.000 0.358 0.000 0.736 207 D CB -1.146 39.777 40.800 0.204 0.000 1.084 207 D HN 0.538 nan 8.370 nan 0.000 0.429 208 F N -0.552 119.612 119.950 0.356 0.000 2.615 208 F HA 0.116 4.643 4.527 0.001 0.000 0.297 208 F C 1.362 177.366 175.800 0.340 0.000 1.124 208 F CA 0.654 58.828 58.000 0.290 0.000 1.451 208 F CB 0.186 39.320 39.000 0.225 0.000 1.103 208 F HN 0.136 nan 8.300 nan 0.000 0.569 209 H N -1.837 117.497 119.070 0.439 0.000 3.008 209 H HA 0.656 5.213 4.556 0.000 0.000 0.354 209 H C -0.229 175.298 175.328 0.333 0.000 1.252 209 H CA -0.440 55.778 56.048 0.283 0.000 1.117 209 H CB 1.851 31.764 29.762 0.251 0.000 1.857 209 H HN 0.008 nan 8.280 nan 0.000 0.547 210 G N -0.533 108.381 108.800 0.190 0.000 2.451 210 G HA2 0.436 4.396 3.960 0.001 0.000 0.292 210 G HA3 0.436 4.396 3.960 0.001 0.000 0.292 210 G C -0.005 175.123 174.900 0.380 0.000 1.427 210 G CA -0.149 45.169 45.100 0.362 0.000 0.792 210 G HN 0.785 nan 8.290 nan 0.000 0.498 211 A N 0.067 123.185 122.820 0.497 0.000 2.024 211 A HA -0.026 4.295 4.320 0.001 0.000 0.220 211 A C 1.916 179.580 177.584 0.134 0.000 1.164 211 A CA 2.170 54.443 52.037 0.392 0.000 0.643 211 A CB -0.968 18.214 19.000 0.303 0.000 0.806 211 A HN 1.411 nan 8.150 nan 0.000 0.451 212 W N 0.296 121.635 121.300 0.065 0.000 2.560 212 W HA -0.107 4.553 4.660 0.000 0.000 0.252 212 W C 0.848 177.340 176.519 -0.045 0.000 1.242 212 W CA 0.806 58.156 57.345 0.008 0.000 1.242 212 W CB -0.459 29.005 29.460 0.008 0.000 1.136 212 W HN 0.346 nan 8.180 nan 0.000 0.625 213 R N 0.377 120.443 120.500 -0.723 0.000 2.362 213 R HA 0.203 4.543 4.340 0.001 0.000 0.227 213 R C 1.929 177.978 176.300 -0.419 0.000 0.905 213 R CA 0.440 56.026 56.100 -0.857 0.000 1.067 213 R CB -0.122 29.390 30.300 -1.313 0.000 1.078 213 R HN 0.229 nan 8.270 nan 0.000 0.516 214 G N 1.655 110.301 108.800 -0.258 0.000 2.189 214 G HA2 -0.348 3.612 3.960 0.001 0.000 0.267 214 G HA3 -0.348 3.612 3.960 0.001 0.000 0.267 214 G C 0.351 175.109 174.900 -0.237 0.000 0.975 214 G CA 1.056 46.046 45.100 -0.183 0.000 0.644 214 G HN 0.494 nan 8.290 nan 0.000 0.537 215 T N -2.432 111.925 114.554 -0.328 0.000 2.864 215 T HA 0.700 5.051 4.350 0.001 0.000 0.299 215 T C 0.018 174.281 174.700 -0.728 0.000 1.166 215 T CA 0.405 62.256 62.100 -0.415 0.000 1.007 215 T CB 1.700 70.385 68.868 -0.304 0.000 1.219 215 T HN 1.244 nan 8.240 nan 0.000 0.506 216 T N -1.068 112.891 114.554 -0.993 0.000 2.913 216 T HA 0.637 4.987 4.350 0.001 0.000 0.297 216 T C 0.476 174.433 174.700 -1.238 0.000 1.029 216 T CA -0.211 60.894 62.100 -1.658 0.000 1.104 216 T CB 0.521 68.124 68.868 -2.109 0.000 0.964 216 T HN 1.433 nan 8.240 nan 0.000 0.532 217 G N 0.751 108.868 108.800 -1.138 0.000 2.702 217 G HA2 0.374 4.334 3.960 0.001 0.000 0.296 217 G HA3 0.374 4.334 3.960 0.001 0.000 0.296 217 G C -1.538 173.347 174.900 -0.024 0.000 1.463 217 G CA -0.840 43.690 45.100 -0.949 0.000 0.890 217 G HN 0.968 nan 8.290 nan 0.000 0.534 218 H N 0.649 119.782 119.070 0.105 0.000 2.646 218 H HA 0.132 4.689 4.556 0.001 0.000 0.325 218 H C 1.414 176.934 175.328 0.320 0.000 1.075 218 H CA 0.431 56.675 56.048 0.326 0.000 1.421 218 H CB 1.152 31.038 29.762 0.208 0.000 1.461 218 H HN 0.833 nan 8.280 nan 0.000 0.525 219 H N 1.471 120.696 119.070 0.258 0.000 2.555 219 H HA 0.112 4.669 4.556 0.001 0.000 0.269 219 H C 0.232 175.847 175.328 0.478 0.000 0.988 219 H CA 0.481 56.751 56.048 0.371 0.000 1.178 219 H CB 0.575 30.474 29.762 0.228 0.000 1.373 219 H HN 0.245 nan 8.280 nan 0.000 0.588 220 S N 1.627 117.408 115.700 0.136 0.000 2.539 220 S HA 0.241 4.711 4.470 0.001 0.000 0.185 220 S C -2.902 171.778 174.600 0.134 0.000 1.181 220 S CA -1.197 57.090 58.200 0.145 0.000 1.216 220 S CB 0.142 63.192 63.200 -0.250 0.000 1.476 220 S HN 0.266 nan 8.310 nan 0.000 0.395 221 P HA 0.164 nan 4.420 nan 0.000 0.275 221 P C 0.852 178.031 177.300 -0.203 0.000 1.228 221 P CA -0.558 62.440 63.100 -0.170 0.000 0.786 221 P CB 1.075 32.708 31.700 -0.112 0.000 0.927 222 L N 2.404 123.446 121.223 -0.303 0.000 2.068 222 L HA 0.202 4.542 4.340 0.001 0.000 0.204 222 L C 0.429 176.840 176.870 -0.766 0.000 1.076 222 L CA 1.760 56.256 54.840 -0.572 0.000 0.753 222 L CB -0.657 41.014 42.059 -0.648 0.000 0.910 222 L HN 0.234 nan 8.230 nan 0.000 0.439 223 F N -1.952 117.884 119.950 -0.190 0.000 2.618 223 F HA 0.426 4.954 4.527 0.001 0.000 0.332 223 F C 1.597 177.319 175.800 -0.130 0.000 1.061 223 F CA -0.750 57.164 58.000 -0.144 0.000 0.974 223 F CB 0.791 39.731 39.000 -0.100 0.000 1.310 223 F HN -0.297 nan 8.300 nan 0.000 0.491 224 R N 0.814 121.377 120.500 0.105 0.000 2.081 224 R HA 0.157 4.497 4.340 0.001 0.000 0.235 224 R C 0.900 177.193 176.300 -0.011 0.000 1.131 224 R CA 1.420 57.513 56.100 -0.012 0.000 0.960 224 R CB -0.547 29.729 30.300 -0.040 0.000 0.856 224 R HN 1.026 nan 8.270 nan 0.000 0.436 225 G N 0.126 108.937 108.800 0.019 0.000 2.593 225 G HA2 -0.379 3.581 3.960 0.001 0.000 0.237 225 G HA3 -0.379 3.581 3.960 0.001 0.000 0.237 225 G C -0.939 173.942 174.900 -0.032 0.000 1.312 225 G CA 0.120 45.217 45.100 -0.006 0.000 0.896 225 G HN 0.567 nan 8.290 nan 0.000 0.574 226 Q N 0.316 120.097 119.800 -0.032 0.000 2.520 226 Q HA -0.001 4.339 4.340 0.001 0.000 0.320 226 Q C 1.595 177.562 176.000 -0.055 0.000 1.104 226 Q CA 1.040 56.819 55.803 -0.040 0.000 1.062 226 Q CB 0.219 28.937 28.738 -0.033 0.000 1.005 226 Q HN 0.611 nan 8.270 nan 0.000 0.390 227 E N 3.541 123.707 120.200 -0.057 0.000 2.171 227 E HA -0.277 4.073 4.350 0.001 0.000 0.197 227 E C 0.499 177.054 176.600 -0.075 0.000 0.997 227 E CA 1.518 57.876 56.400 -0.070 0.000 0.810 227 E CB 0.306 29.968 29.700 -0.063 0.000 0.738 227 E HN 0.741 nan 8.360 nan 0.000 0.467 228 D N -0.343 120.019 120.400 -0.063 0.000 2.144 228 D HA -0.045 4.596 4.640 0.001 0.000 0.200 228 D C 1.116 177.373 176.300 -0.071 0.000 0.978 228 D CA 1.260 55.223 54.000 -0.063 0.000 0.833 228 D CB -0.049 40.721 40.800 -0.052 0.000 0.961 228 D HN 0.202 nan 8.370 nan 0.000 0.470 229 A N -0.078 122.698 122.820 -0.073 0.000 2.370 229 A HA 0.294 4.615 4.320 0.001 0.000 0.238 229 A C 0.354 177.879 177.584 -0.099 0.000 1.289 229 A CA -0.042 51.944 52.037 -0.085 0.000 0.885 229 A CB -0.200 18.753 19.000 -0.078 0.000 0.961 229 A HN 0.147 nan 8.150 nan 0.000 0.499 230 S N -1.586 114.053 115.700 -0.101 0.000 2.536 230 S HA 0.651 5.121 4.470 0.001 0.000 0.287 230 S C -2.248 172.281 174.600 -0.120 0.000 1.101 230 S CA -1.017 57.117 58.200 -0.110 0.000 0.950 230 S CB 1.827 64.954 63.200 -0.122 0.000 1.056 230 S HN 0.001 nan 8.310 nan 0.000 0.481 231 P HA 0.175 nan 4.420 nan 0.000 0.214 231 P C -0.381 176.816 177.300 -0.171 0.000 1.167 231 P CA 0.892 63.923 63.100 -0.115 0.000 0.882 231 P CB 0.054 31.702 31.700 -0.087 0.000 0.777 232 D N -1.210 119.068 120.400 -0.203 0.000 2.387 232 D HA 0.216 4.856 4.640 0.001 0.000 0.255 232 D C 0.950 176.937 176.300 -0.522 0.000 1.081 232 D CA -0.297 53.468 54.000 -0.392 0.000 0.994 232 D CB 1.153 41.781 40.800 -0.286 0.000 1.127 232 D HN -0.093 nan 8.370 nan 0.000 0.513 233 R N -0.341 119.576 120.500 -0.972 0.000 2.282 233 R HA 0.141 4.481 4.340 0.001 0.000 0.195 233 R C 1.425 177.245 176.300 -0.801 0.000 0.909 233 R CA 0.237 55.864 56.100 -0.789 0.000 1.039 233 R CB 0.152 29.947 30.300 -0.842 0.000 1.015 233 R HN 0.270 nan 8.270 nan 0.000 0.513 234 F N 0.432 120.032 119.950 -0.585 0.000 2.416 234 F HA 0.140 4.667 4.527 0.000 0.000 0.296 234 F C 1.197 176.773 175.800 -0.373 0.000 1.099 234 F CA 0.050 57.597 58.000 -0.755 0.000 1.427 234 F CB -0.313 38.282 39.000 -0.675 0.000 1.079 234 F HN -0.284 nan 8.300 nan 0.000 0.536 235 S N 1.744 117.319 115.700 -0.208 0.000 3.864 235 S HA 0.146 4.617 4.470 0.001 0.000 0.202 235 S C -0.231 173.810 174.600 -0.932 0.000 1.402 235 S CA -0.272 57.679 58.200 -0.415 0.000 1.072 235 S CB -1.783 61.399 63.200 -0.030 0.000 1.383 235 S HN 0.576 nan 8.310 nan 0.000 0.458 236 N N -2.526 115.471 118.700 -1.171 0.000 2.710 236 N HA 0.286 5.027 4.740 0.001 0.000 0.257 236 N C 0.406 175.579 175.510 -0.562 0.000 1.327 236 N CA -0.869 51.672 53.050 -0.849 0.000 0.861 236 N CB 0.232 38.518 38.487 -0.335 0.000 1.532 236 N HN -0.191 nan 8.380 nan 0.000 0.499 237 T N -0.541 113.876 114.554 -0.229 0.000 2.635 237 T HA -0.242 4.108 4.350 0.001 0.000 0.267 237 T C 1.020 175.649 174.700 -0.117 0.000 1.040 237 T CA 2.163 64.245 62.100 -0.030 0.000 1.156 237 T CB -0.676 68.102 68.868 -0.150 0.000 0.863 237 T HN 0.812 nan 8.240 nan 0.000 0.430 238 D N -0.106 120.095 120.400 -0.330 0.000 2.116 238 D HA -0.197 4.444 4.640 0.001 0.000 0.193 238 D C 1.888 178.240 176.300 0.087 0.000 0.998 238 D CA 1.347 55.246 54.000 -0.169 0.000 0.836 238 D CB -0.401 40.304 40.800 -0.158 0.000 0.951 238 D HN 0.503 nan 8.370 nan 0.000 0.449 239 Y N 0.607 120.915 120.300 0.014 0.000 2.145 239 Y HA -0.153 4.397 4.550 0.001 0.000 0.286 239 Y C 2.261 178.258 175.900 0.161 0.000 1.145 239 Y CA 2.154 60.309 58.100 0.093 0.000 1.148 239 Y CB -0.754 37.745 38.460 0.065 0.000 0.981 239 Y HN 0.069 nan 8.280 nan 0.000 0.507 240 A N -0.555 122.371 122.820 0.175 0.000 1.883 240 A HA -0.179 4.141 4.320 0.001 0.000 0.217 240 A C 2.354 180.011 177.584 0.122 0.000 1.186 240 A CA 2.189 54.355 52.037 0.216 0.000 0.624 240 A CB -1.388 17.844 19.000 0.386 0.000 0.822 240 A HN 0.349 nan 8.150 nan 0.000 0.444 241 V N -0.074 119.917 119.914 0.129 0.000 2.261 241 V HA -0.202 3.918 4.120 0.001 0.000 0.246 241 V C 2.868 179.005 176.094 0.071 0.000 1.047 241 V CA 2.122 64.501 62.300 0.131 0.000 1.015 241 V CB -1.581 30.383 31.823 0.236 0.000 0.642 241 V HN 0.617 nan 8.190 nan 0.000 0.446 242 G N -1.620 107.212 108.800 0.054 0.000 2.446 242 G HA2 -0.352 3.608 3.960 0.001 0.000 0.217 242 G HA3 -0.352 3.608 3.960 0.001 0.000 0.217 242 G C 1.578 176.466 174.900 -0.020 0.000 1.168 242 G CA 1.269 46.377 45.100 0.014 0.000 0.771 242 G HN 0.499 nan 8.290 nan 0.000 0.551 243 Y N 0.586 120.700 120.300 -0.310 0.000 2.128 243 Y HA -0.041 4.510 4.550 0.001 0.000 0.284 243 Y C 2.834 178.668 175.900 -0.111 0.000 1.154 243 Y CA 1.764 59.691 58.100 -0.288 0.000 1.149 243 Y CB -0.316 37.870 38.460 -0.456 0.000 0.976 243 Y HN 0.205 nan 8.280 nan 0.000 0.505 244 M N -1.169 118.382 119.600 -0.082 0.000 2.229 244 M HA -0.173 4.308 4.480 0.001 0.000 0.264 244 M C 1.960 178.200 176.300 -0.101 0.000 1.063 244 M CA 1.298 56.526 55.300 -0.121 0.000 1.114 244 M CB -0.146 32.446 32.600 -0.014 0.000 1.387 244 M HN 0.306 nan 8.290 nan 0.000 0.420 245 L N -0.892 120.299 121.223 -0.055 0.000 2.017 245 L HA -0.223 4.117 4.340 0.001 0.000 0.208 245 L C 2.593 179.427 176.870 -0.060 0.000 1.073 245 L CA 1.345 56.162 54.840 -0.039 0.000 0.745 245 L CB -0.669 41.383 42.059 -0.013 0.000 0.894 245 L HN 0.292 nan 8.230 nan 0.000 0.432 246 R N 0.442 120.898 120.500 -0.072 0.000 2.096 246 R HA -0.141 4.199 4.340 0.001 0.000 0.235 246 R C 2.207 178.435 176.300 -0.120 0.000 1.127 246 R CA 1.160 57.219 56.100 -0.069 0.000 0.968 246 R CB -0.159 30.124 30.300 -0.028 0.000 0.861 246 R HN 0.332 nan 8.270 nan 0.000 0.440 247 L N -0.784 120.310 121.223 -0.215 0.000 2.456 247 L HA 0.022 4.362 4.340 0.001 0.000 0.224 247 L C 1.152 177.949 176.870 -0.121 0.000 1.148 247 L CA 0.974 55.682 54.840 -0.220 0.000 0.825 247 L CB 0.118 41.978 42.059 -0.332 0.000 0.937 247 L HN 0.672 nan 8.230 nan 0.000 0.450 248 G N -0.786 107.960 108.800 -0.091 0.000 2.159 248 G HA2 -0.150 3.811 3.960 0.001 0.000 0.170 248 G HA3 -0.150 3.811 3.960 0.001 0.000 0.170 248 G C 0.218 175.087 174.900 -0.051 0.000 1.007 248 G CA -0.213 44.850 45.100 -0.061 0.000 0.672 248 G HN 0.392 nan 8.290 nan 0.000 0.507 249 A N 1.024 123.814 122.820 -0.051 0.000 2.347 249 A HA 0.713 5.034 4.320 0.001 0.000 0.287 249 A C -1.821 175.753 177.584 -0.017 0.000 1.199 249 A CA -1.101 50.917 52.037 -0.032 0.000 0.851 249 A CB 0.283 19.268 19.000 -0.025 0.000 1.118 249 A HN 0.115 nan 8.150 nan 0.000 0.525 250 P HA 0.165 nan 4.420 nan 0.000 0.267 250 P C 0.926 178.233 177.300 0.011 0.000 1.205 250 P CA 0.442 63.540 63.100 -0.003 0.000 0.765 250 P CB 1.069 32.767 31.700 -0.004 0.000 0.828 251 A N 3.403 126.229 122.820 0.010 0.000 1.978 251 A HA -0.205 4.115 4.320 0.001 0.000 0.220 251 A C 2.051 179.655 177.584 0.034 0.000 1.170 251 A CA 2.258 54.307 52.037 0.020 0.000 0.636 251 A CB -1.546 17.461 19.000 0.012 0.000 0.810 251 A HN 0.598 nan 8.150 nan 0.000 0.448 252 S N -1.020 114.696 115.700 0.027 0.000 2.507 252 S HA -0.018 4.452 4.470 0.001 0.000 0.235 252 S C 1.383 176.010 174.600 0.046 0.000 0.988 252 S CA 1.314 59.532 58.200 0.030 0.000 0.944 252 S CB -0.126 63.083 63.200 0.015 0.000 0.762 252 S HN 0.620 nan 8.310 nan 0.000 0.526 253 K N -0.200 120.233 120.400 0.056 0.000 2.374 253 K HA 0.355 4.676 4.320 0.001 0.000 0.202 253 K C -0.622 176.046 176.600 0.113 0.000 1.040 253 K CA -0.263 56.080 56.287 0.093 0.000 1.085 253 K CB 0.405 32.950 32.500 0.076 0.000 0.873 253 K HN 0.257 nan 8.250 nan 0.000 0.539 254 L N 1.795 123.067 121.223 0.082 0.000 2.264 254 L HA 0.265 4.606 4.340 0.001 0.000 0.289 254 L C -0.910 176.012 176.870 0.087 0.000 1.044 254 L CA -0.488 54.405 54.840 0.089 0.000 0.807 254 L CB 1.403 43.502 42.059 0.066 0.000 1.192 254 L HN -0.263 nan 8.230 nan 0.000 0.425 255 V N 6.256 126.236 119.914 0.108 0.000 2.417 255 V HA 0.405 4.526 4.120 0.001 0.000 0.291 255 V C 0.209 176.376 176.094 0.122 0.000 1.024 255 V CA -0.571 61.778 62.300 0.082 0.000 0.861 255 V CB 1.492 33.335 31.823 0.034 0.000 0.985 255 V HN 0.821 nan 8.190 nan 0.000 0.436 256 M N 3.903 123.571 119.600 0.113 0.000 2.120 256 M HA 0.518 4.998 4.480 0.001 0.000 0.354 256 M C 0.693 177.094 176.300 0.169 0.000 1.287 256 M CA -0.156 55.227 55.300 0.137 0.000 1.103 256 M CB 0.660 33.342 32.600 0.136 0.000 1.623 256 M HN 0.850 nan 8.290 nan 0.000 0.471 257 G N 6.148 115.068 108.800 0.200 0.000 2.406 257 G HA2 0.509 4.469 3.960 0.001 0.000 0.251 257 G HA3 0.509 4.469 3.960 0.001 0.000 0.251 257 G C -0.751 174.352 174.900 0.338 0.000 1.271 257 G CA -0.489 44.803 45.100 0.321 0.000 0.859 257 G HN 0.797 nan 8.290 nan 0.000 0.540 258 I N 4.156 124.928 120.570 0.337 0.000 2.499 258 I HA 0.311 4.481 4.170 0.001 0.000 0.288 258 I C -2.249 173.972 176.117 0.173 0.000 1.048 258 I CA -2.255 59.176 61.300 0.217 0.000 1.062 258 I CB 3.335 41.407 38.000 0.120 0.000 1.238 258 I HN 0.335 nan 8.210 nan 0.000 0.426 259 P HA 0.183 nan 4.420 nan 0.000 0.284 259 P C 0.144 177.407 177.300 -0.061 0.000 1.253 259 P CA -0.278 62.719 63.100 -0.172 0.000 0.800 259 P CB 1.437 32.755 31.700 -0.638 0.000 0.961 260 T N -0.618 113.999 114.554 0.104 0.000 3.176 260 T HA 0.387 4.737 4.350 0.001 0.000 0.263 260 T C 0.199 175.043 174.700 0.239 0.000 1.021 260 T CA -0.387 61.785 62.100 0.119 0.000 0.905 260 T CB -1.044 67.913 68.868 0.148 0.000 1.057 260 T HN 0.385 nan 8.240 nan 0.000 0.558 261 F N -0.989 119.027 119.950 0.109 0.000 2.603 261 F HA 0.920 5.447 4.527 0.001 0.000 0.317 261 F C -0.096 175.780 175.800 0.127 0.000 1.066 261 F CA -1.810 56.232 58.000 0.070 0.000 0.941 261 F CB 0.993 39.995 39.000 0.004 0.000 1.291 261 F HN 0.074 nan 8.300 nan 0.000 0.472 262 G N 0.788 109.654 108.800 0.111 0.000 2.511 262 G HA2 0.642 4.602 3.960 0.001 0.000 0.318 262 G HA3 0.642 4.602 3.960 0.001 0.000 0.318 262 G C -1.420 173.406 174.900 -0.124 0.000 1.210 262 G CA -1.246 43.863 45.100 0.015 0.000 0.969 262 G HN 0.572 nan 8.290 nan 0.000 0.484 263 R N 0.387 120.737 120.500 -0.251 0.000 2.343 263 R HA 0.505 4.846 4.340 0.001 0.000 0.320 263 R C -0.044 176.022 176.300 -0.390 0.000 0.956 263 R CA -0.480 55.424 56.100 -0.327 0.000 0.836 263 R CB 1.384 31.478 30.300 -0.343 0.000 1.151 263 R HN 0.711 nan 8.270 nan 0.000 0.450 264 S N 2.215 117.625 115.700 -0.484 0.000 2.638 264 S HA 0.819 5.289 4.470 0.001 0.000 0.298 264 S C -0.466 173.716 174.600 -0.698 0.000 1.111 264 S CA -0.569 57.375 58.200 -0.427 0.000 1.027 264 S CB 1.339 64.400 63.200 -0.232 0.000 1.064 264 S HN 0.336 nan 8.310 nan 0.000 0.525 265 F N -0.708 119.330 119.950 0.147 0.000 2.626 265 F HA 0.515 5.043 4.527 0.001 0.000 0.311 265 F C 0.147 176.006 175.800 0.099 0.000 1.088 265 F CA -0.830 57.218 58.000 0.080 0.000 0.949 265 F CB 2.103 41.096 39.000 -0.011 0.000 1.322 265 F HN 0.484 nan 8.300 nan 0.000 0.461 266 T N 3.415 118.121 114.554 0.253 0.000 2.743 266 T HA 0.521 4.871 4.350 0.001 0.000 0.292 266 T C -0.087 174.697 174.700 0.140 0.000 0.972 266 T CA -0.521 61.687 62.100 0.179 0.000 0.967 266 T CB 0.267 69.208 68.868 0.122 0.000 0.926 266 T HN 0.297 nan 8.240 nan 0.000 0.459 267 L N 2.276 123.585 121.223 0.143 0.000 2.461 267 L HA 0.356 4.696 4.340 0.001 0.000 0.272 267 L C 1.373 178.272 176.870 0.048 0.000 1.197 267 L CA -0.418 54.465 54.840 0.073 0.000 0.836 267 L CB 0.396 42.525 42.059 0.117 0.000 1.105 267 L HN 0.745 nan 8.230 nan 0.000 0.477 268 A N 1.458 124.281 122.820 0.006 0.000 2.348 268 A HA 0.291 4.611 4.320 0.001 0.000 0.224 268 A C 0.725 178.313 177.584 0.007 0.000 1.227 268 A CA 0.596 52.636 52.037 0.006 0.000 0.885 268 A CB 0.048 19.039 19.000 -0.015 0.000 0.933 268 A HN 0.775 nan 8.150 nan 0.000 0.506 269 S N -2.025 113.681 115.700 0.010 0.000 2.843 269 S HA 0.351 4.821 4.470 0.001 0.000 0.301 269 S C 0.822 175.442 174.600 0.034 0.000 1.206 269 S CA 0.477 58.685 58.200 0.015 0.000 0.875 269 S CB 0.370 63.568 63.200 -0.004 0.000 1.248 269 S HN 0.682 nan 8.310 nan 0.000 0.555 270 S N -0.466 115.253 115.700 0.032 0.000 2.522 270 S HA 0.147 4.617 4.470 0.001 0.000 0.227 270 S C 0.235 174.868 174.600 0.055 0.000 0.986 270 S CA 0.038 58.267 58.200 0.049 0.000 0.929 270 S CB -0.778 62.446 63.200 0.040 0.000 0.769 270 S HN 0.691 nan 8.310 nan 0.000 0.529 271 E N 2.029 122.247 120.200 0.030 0.000 2.344 271 E HA 0.199 4.549 4.350 0.001 0.000 0.270 271 E C 0.500 177.131 176.600 0.051 0.000 1.021 271 E CA 0.434 56.847 56.400 0.022 0.000 0.887 271 E CB 0.756 30.440 29.700 -0.026 0.000 0.997 271 E HN 0.563 nan 8.360 nan 0.000 0.429 272 T N -0.622 113.999 114.554 0.111 0.000 3.111 272 T HA 0.261 4.612 4.350 0.001 0.000 0.284 272 T C 0.696 175.589 174.700 0.322 0.000 0.983 272 T CA -0.343 61.916 62.100 0.266 0.000 0.900 272 T CB 0.557 69.639 68.868 0.358 0.000 1.132 272 T HN 0.368 nan 8.240 nan 0.000 0.531 273 G N 1.124 109.985 108.800 0.102 0.000 2.543 273 G HA2 0.530 4.491 3.960 0.001 0.000 0.290 273 G HA3 0.530 4.491 3.960 0.001 0.000 0.290 273 G C -0.415 174.407 174.900 -0.131 0.000 1.310 273 G CA -0.652 44.479 45.100 0.052 0.000 1.025 273 G HN 0.308 nan 8.290 nan 0.000 0.502 274 V N 0.633 120.472 119.914 -0.124 0.000 2.585 274 V HA 0.414 4.534 4.120 0.001 0.000 0.296 274 V C 1.525 177.452 176.094 -0.278 0.000 1.035 274 V CA 1.679 63.849 62.300 -0.217 0.000 1.084 274 V CB 0.373 32.148 31.823 -0.080 0.000 0.953 274 V HN 1.806 nan 8.190 nan 0.000 0.483 275 G N 3.559 112.104 108.800 -0.424 0.000 2.157 275 G HA2 -0.087 3.873 3.960 0.001 0.000 0.248 275 G HA3 -0.087 3.873 3.960 0.001 0.000 0.248 275 G C 0.360 175.067 174.900 -0.322 0.000 0.979 275 G CA 0.126 45.023 45.100 -0.339 0.000 0.650 275 G HN 1.465 nan 8.290 nan 0.000 0.529 276 A N 0.388 122.969 122.820 -0.398 0.000 2.386 276 A HA 0.703 5.024 4.320 0.001 0.000 0.248 276 A C -1.585 175.809 177.584 -0.316 0.000 1.082 276 A CA -0.759 51.094 52.037 -0.307 0.000 0.789 276 A CB 0.293 19.120 19.000 -0.290 0.000 1.025 276 A HN 0.177 nan 8.150 nan 0.000 0.490 277 P HA 0.346 nan 4.420 nan 0.000 0.271 277 P C -0.584 176.613 177.300 -0.171 0.000 1.216 277 P CA 0.296 63.295 63.100 -0.170 0.000 0.776 277 P CB 0.409 32.047 31.700 -0.103 0.000 0.881 278 I N -1.466 119.010 120.570 -0.156 0.000 2.934 278 I HA 0.558 4.728 4.170 0.001 0.000 0.306 278 I C 0.489 176.586 176.117 -0.034 0.000 1.110 278 I CA -0.816 60.425 61.300 -0.098 0.000 1.019 278 I CB 2.555 40.474 38.000 -0.134 0.000 1.227 278 I HN 0.187 nan 8.210 nan 0.000 0.434 279 S N 1.338 117.047 115.700 0.016 0.000 2.523 279 S HA 0.719 5.190 4.470 0.001 0.000 0.217 279 S C 0.623 175.253 174.600 0.050 0.000 0.996 279 S CA 0.161 58.378 58.200 0.027 0.000 0.921 279 S CB 0.058 63.279 63.200 0.034 0.000 0.829 279 S HN 1.594 nan 8.310 nan 0.000 0.495 280 G N 1.495 110.344 108.800 0.081 0.000 2.352 280 G HA2 0.309 4.269 3.960 0.001 0.000 0.283 280 G HA3 0.309 4.269 3.960 0.001 0.000 0.283 280 G C -3.486 171.507 174.900 0.156 0.000 1.308 280 G CA -0.599 44.565 45.100 0.106 0.000 0.892 280 G HN 0.111 nan 8.290 nan 0.000 0.504 281 P HA 0.397 nan 4.420 nan 0.000 0.272 281 P C 0.781 178.108 177.300 0.044 0.000 1.240 281 P CA 0.627 63.764 63.100 0.061 0.000 0.791 281 P CB 0.558 32.270 31.700 0.020 0.000 0.978 282 G N 0.578 109.364 108.800 -0.024 0.000 2.634 282 G HA2 0.318 4.278 3.960 0.001 0.000 0.255 282 G HA3 0.318 4.278 3.960 0.001 0.000 0.255 282 G C 0.126 175.027 174.900 0.002 0.000 1.205 282 G CA -0.848 44.254 45.100 0.003 0.000 0.884 282 G HN 0.442 nan 8.290 nan 0.000 0.549 283 I N 1.700 122.285 120.570 0.024 0.000 2.618 283 I HA 0.056 4.226 4.170 0.001 0.000 0.284 283 I C -1.645 174.474 176.117 0.003 0.000 1.146 283 I CA -1.156 60.161 61.300 0.028 0.000 1.425 283 I CB 1.018 39.053 38.000 0.058 0.000 1.383 283 I HN 0.228 nan 8.210 nan 0.000 0.562 284 P HA -0.013 nan 4.420 nan 0.000 0.265 284 P C 0.104 177.405 177.300 0.003 0.000 1.187 284 P CA -0.049 63.051 63.100 -0.001 0.000 0.766 284 P CB 0.398 32.103 31.700 0.009 0.000 0.820 285 G N 1.471 110.270 108.800 -0.001 0.000 2.569 285 G HA2 0.336 4.297 3.960 0.001 0.000 0.249 285 G HA3 0.336 4.297 3.960 0.001 0.000 0.249 285 G C 1.321 176.240 174.900 0.031 0.000 1.216 285 G CA -0.119 44.993 45.100 0.020 0.000 0.845 285 G HN 0.522 nan 8.290 nan 0.000 0.568 286 R N 0.292 120.805 120.500 0.021 0.000 2.105 286 R HA -0.005 4.336 4.340 0.001 0.000 0.239 286 R C 1.988 178.133 176.300 -0.260 0.000 1.135 286 R CA 2.289 58.291 56.100 -0.163 0.000 0.967 286 R CB -1.021 29.093 30.300 -0.311 0.000 0.861 286 R HN 0.636 nan 8.270 nan 0.000 0.442 287 F N 0.281 120.307 119.950 0.127 0.000 2.437 287 F HA 0.052 4.579 4.527 0.001 0.000 0.288 287 F C 2.867 178.749 175.800 0.136 0.000 1.085 287 F CA 1.319 59.422 58.000 0.171 0.000 1.430 287 F CB -0.083 39.097 39.000 0.300 0.000 1.120 287 F HN 0.271 nan 8.300 nan 0.000 0.556 288 T N -2.416 112.293 114.554 0.257 0.000 3.043 288 T HA -0.019 4.331 4.350 0.001 0.000 0.263 288 T C 0.865 175.633 174.700 0.114 0.000 1.094 288 T CA 0.143 62.339 62.100 0.160 0.000 1.127 288 T CB -0.520 68.385 68.868 0.062 0.000 0.905 288 T HN 0.152 nan 8.240 nan 0.000 0.490 289 K N 1.572 122.021 120.400 0.081 0.000 3.311 289 K HA -0.188 4.132 4.320 0.001 0.000 0.270 289 K C -0.293 176.330 176.600 0.038 0.000 0.927 289 K CA 0.692 57.010 56.287 0.051 0.000 0.706 289 K CB -1.378 31.159 32.500 0.060 0.000 1.418 289 K HN 0.751 nan 8.250 nan 0.000 0.459 290 E N 0.244 120.455 120.200 0.019 0.000 2.343 290 E HA 0.415 4.766 4.350 0.001 0.000 0.260 290 E C -0.747 175.843 176.600 -0.017 0.000 0.908 290 E CA -0.384 56.017 56.400 0.002 0.000 0.814 290 E CB 1.230 30.927 29.700 -0.005 0.000 1.302 290 E HN 0.344 nan 8.360 nan 0.000 0.408 291 A N 2.633 125.447 122.820 -0.010 0.000 2.567 291 A HA 0.390 4.710 4.320 0.001 0.000 0.240 291 A C 1.305 178.862 177.584 -0.044 0.000 1.053 291 A CA 1.250 53.277 52.037 -0.018 0.000 0.755 291 A CB -0.351 18.651 19.000 0.002 0.000 0.978 291 A HN 1.230 nan 8.150 nan 0.000 0.507 292 G N 1.864 110.615 108.800 -0.080 0.000 2.175 292 G HA2 -0.143 3.817 3.960 0.001 0.000 0.244 292 G HA3 -0.143 3.817 3.960 0.001 0.000 0.244 292 G C 0.298 175.105 174.900 -0.156 0.000 0.982 292 G CA 0.495 45.508 45.100 -0.146 0.000 0.641 292 G HN 1.416 nan 8.290 nan 0.000 0.527 293 T N 0.553 115.043 114.554 -0.106 0.000 2.893 293 T HA 0.730 5.080 4.350 0.001 0.000 0.293 293 T C -0.542 174.113 174.700 -0.075 0.000 1.027 293 T CA -0.426 61.629 62.100 -0.075 0.000 0.988 293 T CB 2.257 71.078 68.868 -0.080 0.000 1.043 293 T HN 0.442 nan 8.240 nan 0.000 0.461 294 L N 1.816 123.005 121.223 -0.056 0.000 2.464 294 L HA 0.710 5.050 4.340 0.001 0.000 0.266 294 L C 0.078 176.891 176.870 -0.094 0.000 0.965 294 L CA -1.214 53.557 54.840 -0.116 0.000 0.833 294 L CB 1.881 43.824 42.059 -0.194 0.000 1.296 294 L HN 0.788 nan 8.230 nan 0.000 0.405 295 A N 1.271 123.942 122.820 -0.249 0.000 2.313 295 A HA 0.172 4.492 4.320 0.001 0.000 0.261 295 A C 0.417 177.818 177.584 -0.304 0.000 1.090 295 A CA 0.111 51.952 52.037 -0.327 0.000 0.807 295 A CB 0.159 18.642 19.000 -0.860 0.000 1.055 295 A HN 0.760 nan 8.150 nan 0.000 0.492 296 Y N 1.079 121.237 120.300 -0.237 0.000 2.207 296 Y HA -0.316 4.234 4.550 0.001 0.000 0.287 296 Y C 2.047 177.834 175.900 -0.188 0.000 1.156 296 Y CA 2.756 60.767 58.100 -0.148 0.000 1.182 296 Y CB -0.705 37.754 38.460 -0.003 0.000 0.979 296 Y HN 0.815 nan 8.280 nan 0.000 0.521 297 Y N -1.150 118.971 120.300 -0.299 0.000 2.293 297 Y HA -0.050 4.500 4.550 0.000 0.000 0.291 297 Y C 1.884 177.513 175.900 -0.452 0.000 1.137 297 Y CA 1.238 59.011 58.100 -0.545 0.000 1.202 297 Y CB -1.209 36.655 38.460 -0.994 0.000 0.990 297 Y HN 0.140 nan 8.280 nan 0.000 0.537 298 E N 0.813 120.694 120.200 -0.532 0.000 2.152 298 E HA -0.064 4.287 4.350 0.001 0.000 0.192 298 E C 2.083 178.607 176.600 -0.127 0.000 0.983 298 E CA 1.144 57.430 56.400 -0.191 0.000 0.818 298 E CB -0.154 29.418 29.700 -0.213 0.000 0.758 298 E HN 0.566 nan 8.360 nan 0.000 0.467 299 I N 0.656 121.059 120.570 -0.278 0.000 2.315 299 I HA -0.283 3.887 4.170 0.001 0.000 0.248 299 I C 2.264 178.244 176.117 -0.228 0.000 1.117 299 I CA 0.542 61.667 61.300 -0.292 0.000 1.404 299 I CB -0.230 37.464 38.000 -0.510 0.000 1.071 299 I HN 0.236 nan 8.210 nan 0.000 0.419 300 c N 0.602 118.991 118.600 -0.352 0.000 2.411 300 c HA -0.175 4.395 4.570 0.001 0.000 0.279 300 c C 2.399 176.466 174.090 -0.037 0.000 1.288 300 c CA 0.826 57.014 56.329 -0.234 0.000 1.764 300 c CB -1.030 41.324 42.510 -0.260 0.000 1.974 300 c HN 0.519 nan 8.230 nan 0.000 0.498 301 D N -0.239 120.194 120.400 0.056 0.000 2.103 301 D HA -0.080 4.561 4.640 0.001 0.000 0.199 301 D C 1.768 178.125 176.300 0.094 0.000 0.978 301 D CA 0.883 54.954 54.000 0.118 0.000 0.829 301 D CB -0.532 40.401 40.800 0.222 0.000 0.981 301 D HN 0.457 nan 8.370 nan 0.000 0.464 302 F N 1.577 121.501 119.950 -0.044 0.000 2.120 302 F HA -0.166 4.362 4.527 0.000 0.000 0.300 302 F C 2.069 177.835 175.800 -0.057 0.000 1.095 302 F CA 1.134 59.105 58.000 -0.048 0.000 1.249 302 F CB -0.273 38.677 39.000 -0.083 0.000 0.995 302 F HN -0.086 nan 8.300 nan 0.000 0.480 303 L N 0.191 121.415 121.223 0.001 0.000 2.261 303 L HA -0.171 4.169 4.340 0.001 0.000 0.216 303 L C 0.917 177.709 176.870 -0.130 0.000 1.114 303 L CA 0.754 55.547 54.840 -0.079 0.000 0.777 303 L CB -0.712 41.326 42.059 -0.035 0.000 0.910 303 L HN -0.033 nan 8.230 nan 0.000 0.440 304 R N 0.750 121.185 120.500 -0.109 0.000 2.402 304 R HA 0.157 4.497 4.340 0.001 0.000 0.331 304 R C 1.066 177.284 176.300 -0.137 0.000 1.040 304 R CA 0.673 56.717 56.100 -0.093 0.000 0.980 304 R CB -0.107 30.161 30.300 -0.054 0.000 0.967 304 R HN 0.339 nan 8.270 nan 0.000 0.440 305 G N 1.317 110.045 108.800 -0.120 0.000 2.157 305 G HA2 -0.287 3.673 3.960 0.001 0.000 0.248 305 G HA3 -0.287 3.673 3.960 0.001 0.000 0.248 305 G C 0.115 174.916 174.900 -0.165 0.000 0.979 305 G CA 0.004 45.031 45.100 -0.122 0.000 0.650 305 G HN 0.806 nan 8.290 nan 0.000 0.529 306 A N -0.641 122.054 122.820 -0.210 0.000 2.269 306 A HA 0.900 5.221 4.320 0.001 0.000 0.327 306 A C 0.283 177.787 177.584 -0.133 0.000 1.112 306 A CA 0.421 52.319 52.037 -0.232 0.000 0.865 306 A CB 1.135 19.896 19.000 -0.398 0.000 1.227 306 A HN 0.687 nan 8.150 nan 0.000 0.498 307 T N 0.867 115.361 114.554 -0.100 0.000 2.771 307 T HA 0.513 4.863 4.350 0.001 0.000 0.281 307 T C -0.581 173.968 174.700 -0.252 0.000 0.982 307 T CA -0.224 61.777 62.100 -0.164 0.000 0.978 307 T CB 1.056 69.861 68.868 -0.106 0.000 0.930 307 T HN 0.413 nan 8.240 nan 0.000 0.447 308 V N 5.069 124.773 119.914 -0.350 0.000 2.435 308 V HA 0.403 4.523 4.120 0.001 0.000 0.290 308 V C -0.334 175.381 176.094 -0.630 0.000 1.030 308 V CA -0.803 61.292 62.300 -0.342 0.000 0.881 308 V CB 1.140 32.894 31.823 -0.116 0.000 0.983 308 V HN 0.833 nan 8.190 nan 0.000 0.445 309 H N 4.358 123.118 119.070 -0.517 0.000 2.538 309 H HA 0.510 5.066 4.556 0.001 0.000 0.353 309 H C -0.496 174.571 175.328 -0.434 0.000 1.109 309 H CA -0.852 54.871 56.048 -0.541 0.000 1.192 309 H CB 2.096 31.336 29.762 -0.870 0.000 1.555 309 H HN 0.406 nan 8.280 nan 0.000 0.518 310 R N 2.970 123.411 120.500 -0.097 0.000 2.202 310 R HA 0.282 4.622 4.340 0.001 0.000 0.334 310 R C 0.150 176.456 176.300 0.009 0.000 1.036 310 R CA -0.566 55.496 56.100 -0.062 0.000 0.878 310 R CB 0.640 30.916 30.300 -0.041 0.000 1.067 310 R HN 0.542 nan 8.270 nan 0.000 0.457 311 I N 5.375 125.968 120.570 0.038 0.000 2.421 311 I HA 0.035 4.205 4.170 0.001 0.000 0.291 311 I C 0.855 176.994 176.117 0.036 0.000 1.089 311 I CA -0.084 61.274 61.300 0.097 0.000 1.354 311 I CB 0.263 38.339 38.000 0.128 0.000 1.413 311 I HN 0.283 nan 8.210 nan 0.000 0.513 312 L N 6.521 127.767 121.223 0.039 0.000 2.490 312 L HA 0.158 4.499 4.340 0.001 0.000 0.274 312 L C 1.463 178.340 176.870 0.012 0.000 1.201 312 L CA 0.737 55.587 54.840 0.017 0.000 0.869 312 L CB 0.439 42.505 42.059 0.013 0.000 1.123 312 L HN 0.988 nan 8.230 nan 0.000 0.484 313 G N 1.715 110.518 108.800 0.005 0.000 2.454 313 G HA2 -0.305 3.655 3.960 0.001 0.000 0.225 313 G HA3 -0.305 3.655 3.960 0.001 0.000 0.225 313 G C 0.884 175.828 174.900 0.075 0.000 1.138 313 G CA 0.358 45.459 45.100 0.002 0.000 0.667 313 G HN 0.623 nan 8.290 nan 0.000 0.512 314 Q N -0.183 119.644 119.800 0.045 0.000 2.402 314 Q HA 0.164 4.504 4.340 0.001 0.000 0.206 314 Q C 0.988 176.975 176.000 -0.021 0.000 0.919 314 Q CA 0.712 56.524 55.803 0.016 0.000 0.923 314 Q CB 0.268 28.968 28.738 -0.064 0.000 1.048 314 Q HN 0.638 nan 8.270 nan 0.000 0.515 315 Q N -0.643 119.155 119.800 -0.003 0.000 2.494 315 Q HA -0.142 4.198 4.340 0.001 0.000 0.266 315 Q C -0.467 175.459 176.000 -0.122 0.000 1.053 315 Q CA 1.078 56.867 55.803 -0.023 0.000 1.029 315 Q CB -2.508 26.260 28.738 0.049 0.000 1.423 315 Q HN 0.336 nan 8.270 nan 0.000 0.516 316 V N -3.842 115.947 119.914 -0.207 0.000 3.078 316 V HA 0.919 5.040 4.120 0.001 0.000 0.311 316 V C -2.660 173.293 176.094 -0.235 0.000 1.138 316 V CA -2.225 59.883 62.300 -0.319 0.000 1.007 316 V CB 2.721 34.099 31.823 -0.741 0.000 1.045 316 V HN -0.095 nan 8.190 nan 0.000 0.432 317 P HA 0.575 nan 4.420 nan 0.000 0.289 317 P C -2.048 175.138 177.300 -0.191 0.000 1.293 317 P CA -0.396 62.547 63.100 -0.261 0.000 0.897 317 P CB 1.820 33.286 31.700 -0.390 0.000 1.166 318 Y N -1.168 119.026 120.300 -0.178 0.000 2.545 318 Y HA 0.851 5.401 4.550 0.000 0.000 0.348 318 Y C -1.532 174.300 175.900 -0.114 0.000 1.002 318 Y CA -1.646 56.275 58.100 -0.299 0.000 1.039 318 Y CB 1.095 39.049 38.460 -0.843 0.000 1.271 318 Y HN 0.577 nan 8.280 nan 0.000 0.467 319 A N 1.615 124.527 122.820 0.154 0.000 2.401 319 A HA 0.798 5.119 4.320 0.001 0.000 0.310 319 A C -0.932 176.819 177.584 0.278 0.000 1.075 319 A CA -0.619 51.548 52.037 0.218 0.000 0.746 319 A CB 1.794 21.040 19.000 0.409 0.000 1.277 319 A HN 0.957 nan 8.150 nan 0.000 0.425 320 T N 0.504 115.231 114.554 0.289 0.000 2.916 320 T HA 0.673 5.024 4.350 0.001 0.000 0.305 320 T C -1.337 173.495 174.700 0.221 0.000 1.119 320 T CA -0.528 61.797 62.100 0.376 0.000 1.008 320 T CB 1.024 70.142 68.868 0.416 0.000 1.129 320 T HN 0.801 nan 8.240 nan 0.000 0.480 321 K N 2.686 123.226 120.400 0.233 0.000 2.589 321 K HA 0.523 4.843 4.320 0.001 0.000 0.253 321 K C 0.440 177.116 176.600 0.126 0.000 0.974 321 K CA 0.204 56.498 56.287 0.010 0.000 0.835 321 K CB 0.950 33.204 32.500 -0.410 0.000 1.272 321 K HN 1.091 nan 8.250 nan 0.000 0.444 322 G N 3.426 112.287 108.800 0.102 0.000 2.582 322 G HA2 -0.393 3.568 3.960 0.001 0.000 0.288 322 G HA3 -0.393 3.568 3.960 0.001 0.000 0.288 322 G C 0.069 175.073 174.900 0.173 0.000 1.247 322 G CA 0.584 45.755 45.100 0.118 0.000 0.972 322 G HN 0.903 nan 8.290 nan 0.000 0.557 323 N N 1.185 119.987 118.700 0.169 0.000 2.362 323 N HA 0.158 4.898 4.740 0.001 0.000 0.211 323 N C 0.252 175.908 175.510 0.243 0.000 1.170 323 N CA 0.627 53.785 53.050 0.180 0.000 0.828 323 N CB 0.420 38.984 38.487 0.130 0.000 1.034 323 N HN 0.591 nan 8.380 nan 0.000 0.475 324 Q N -0.091 119.908 119.800 0.332 0.000 2.345 324 Q HA 0.386 4.727 4.340 0.001 0.000 0.268 324 Q C -1.507 174.834 176.000 0.568 0.000 1.054 324 Q CA -0.339 55.710 55.803 0.409 0.000 0.835 324 Q CB 2.180 31.201 28.738 0.472 0.000 1.339 324 Q HN 0.463 nan 8.270 nan 0.000 0.447 325 W N 1.817 123.268 121.300 0.251 0.000 3.259 325 W HA 0.566 5.226 4.660 0.000 0.000 0.331 325 W C -1.745 174.890 176.519 0.193 0.000 1.144 325 W CA -0.670 56.855 57.345 0.301 0.000 1.227 325 W CB 1.289 30.922 29.460 0.289 0.000 1.371 325 W HN 0.366 nan 8.180 nan 0.000 0.491 326 V N 5.800 125.849 119.914 0.226 0.000 2.733 326 V HA 0.843 4.963 4.120 0.001 0.000 0.306 326 V C -0.492 175.667 176.094 0.107 0.000 1.084 326 V CA -0.354 62.036 62.300 0.149 0.000 0.905 326 V CB 1.623 33.342 31.823 -0.173 0.000 1.010 326 V HN 0.734 nan 8.190 nan 0.000 0.424 327 G N 5.820 114.747 108.800 0.210 0.000 2.322 327 G HA2 0.664 4.624 3.960 0.001 0.000 0.309 327 G HA3 0.664 4.624 3.960 0.001 0.000 0.309 327 G C -1.181 173.691 174.900 -0.046 0.000 1.121 327 G CA -0.084 44.990 45.100 -0.043 0.000 0.886 327 G HN 1.309 nan 8.290 nan 0.000 0.447 328 Y N -0.681 119.570 120.300 -0.083 0.000 2.840 328 Y HA 0.701 5.251 4.550 0.001 0.000 0.324 328 Y C -1.271 174.758 175.900 0.215 0.000 1.378 328 Y CA -1.803 56.336 58.100 0.065 0.000 1.077 328 Y CB 0.971 39.491 38.460 0.101 0.000 1.361 328 Y HN 0.319 nan 8.280 nan 0.000 0.459 329 D N 1.054 121.549 120.400 0.159 0.000 2.362 329 D HA 0.350 4.990 4.640 0.001 0.000 0.247 329 D C -1.393 174.952 176.300 0.074 0.000 1.050 329 D CA -0.076 53.932 54.000 0.014 0.000 0.839 329 D CB 2.094 42.885 40.800 -0.015 0.000 1.283 329 D HN 0.711 nan 8.370 nan 0.000 0.477 330 D N 0.064 120.469 120.400 0.008 0.000 2.687 330 D HA 0.145 4.785 4.640 0.001 0.000 0.264 330 D C 0.892 177.180 176.300 -0.020 0.000 1.091 330 D CA -0.462 53.568 54.000 0.051 0.000 1.123 330 D CB 0.550 41.512 40.800 0.270 0.000 1.407 330 D HN 0.012 nan 8.370 nan 0.000 0.591 331 Q N -0.340 119.470 119.800 0.017 0.000 2.096 331 Q HA -0.221 4.119 4.340 0.001 0.000 0.208 331 Q C 1.752 177.759 176.000 0.011 0.000 0.993 331 Q CA 2.292 58.104 55.803 0.015 0.000 0.862 331 Q CB -0.105 28.665 28.738 0.053 0.000 0.915 331 Q HN 0.679 nan 8.270 nan 0.000 0.416 332 E N -0.472 119.739 120.200 0.019 0.000 2.051 332 E HA -0.196 4.154 4.350 0.001 0.000 0.192 332 E C 1.979 178.572 176.600 -0.011 0.000 0.991 332 E CA 1.426 57.831 56.400 0.007 0.000 0.799 332 E CB 0.025 29.730 29.700 0.007 0.000 0.748 332 E HN 0.450 nan 8.360 nan 0.000 0.449 333 S N 0.235 115.916 115.700 -0.031 0.000 2.387 333 S HA -0.130 4.340 4.470 0.001 0.000 0.226 333 S C 2.259 176.834 174.600 -0.043 0.000 1.026 333 S CA 1.228 59.396 58.200 -0.053 0.000 0.972 333 S CB -0.723 62.420 63.200 -0.095 0.000 0.814 333 S HN 0.276 nan 8.310 nan 0.000 0.477 334 V N 0.471 120.364 119.914 -0.036 0.000 2.515 334 V HA -0.038 4.083 4.120 0.001 0.000 0.250 334 V C 2.498 178.585 176.094 -0.012 0.000 1.058 334 V CA 1.948 64.233 62.300 -0.025 0.000 1.064 334 V CB -1.146 30.662 31.823 -0.026 0.000 0.675 334 V HN 0.485 nan 8.190 nan 0.000 0.461 335 K N 0.937 121.333 120.400 -0.006 0.000 2.026 335 K HA -0.141 4.179 4.320 0.001 0.000 0.208 335 K C 2.367 178.973 176.600 0.010 0.000 1.048 335 K CA 1.862 58.151 56.287 0.002 0.000 0.929 335 K CB -0.293 32.213 32.500 0.009 0.000 0.713 335 K HN 0.572 nan 8.250 nan 0.000 0.439 336 S N 1.039 116.747 115.700 0.012 0.000 2.368 336 S HA -0.119 4.351 4.470 0.001 0.000 0.225 336 S C 1.687 176.311 174.600 0.041 0.000 1.030 336 S CA 1.356 59.577 58.200 0.035 0.000 0.999 336 S CB -0.159 63.058 63.200 0.029 0.000 0.844 336 S HN 0.332 nan 8.310 nan 0.000 0.459 337 K N 0.716 121.115 120.400 -0.002 0.000 2.097 337 K HA -0.035 4.286 4.320 0.001 0.000 0.206 337 K C 2.045 178.682 176.600 0.061 0.000 1.049 337 K CA 1.134 57.419 56.287 -0.002 0.000 0.933 337 K CB -0.388 32.090 32.500 -0.036 0.000 0.717 337 K HN 0.173 nan 8.250 nan 0.000 0.442 338 V N 1.295 121.220 119.914 0.018 0.000 2.358 338 V HA -0.245 3.875 4.120 0.001 0.000 0.246 338 V C 2.413 178.491 176.094 -0.026 0.000 1.047 338 V CA 1.739 64.023 62.300 -0.027 0.000 1.035 338 V CB -0.416 31.373 31.823 -0.058 0.000 0.658 338 V HN 0.305 nan 8.190 nan 0.000 0.452 339 Q N -0.391 119.421 119.800 0.018 0.000 2.096 339 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 339 Q C 2.028 178.066 176.000 0.063 0.000 0.982 339 Q CA 2.246 58.068 55.803 0.032 0.000 0.850 339 Q CB -0.646 28.129 28.738 0.062 0.000 0.901 339 Q HN 0.754 nan 8.270 nan 0.000 0.422 340 Y N 0.387 120.678 120.300 -0.016 0.000 2.145 340 Y HA -0.212 4.338 4.550 0.001 0.000 0.286 340 Y C 1.749 177.637 175.900 -0.019 0.000 1.145 340 Y CA 1.835 59.933 58.100 -0.004 0.000 1.148 340 Y CB -0.341 38.082 38.460 -0.062 0.000 0.981 340 Y HN 0.299 nan 8.280 nan 0.000 0.507 341 L N -0.221 121.017 121.223 0.024 0.000 2.141 341 L HA -0.025 4.315 4.340 0.001 0.000 0.209 341 L C 1.916 178.706 176.870 -0.134 0.000 1.094 341 L CA 1.721 56.516 54.840 -0.074 0.000 0.763 341 L CB -0.991 41.072 42.059 0.008 0.000 0.908 341 L HN -0.053 nan 8.230 nan 0.000 0.437 342 K N 0.179 120.491 120.400 -0.147 0.000 2.057 342 K HA -0.111 4.210 4.320 0.001 0.000 0.206 342 K C 1.752 178.329 176.600 -0.038 0.000 1.050 342 K CA 1.440 57.664 56.287 -0.105 0.000 0.935 342 K CB -0.307 32.112 32.500 -0.136 0.000 0.715 342 K HN 0.370 nan 8.250 nan 0.000 0.439 343 D N 0.353 120.702 120.400 -0.086 0.000 2.218 343 D HA -0.116 4.524 4.640 0.001 0.000 0.204 343 D C 1.585 177.810 176.300 -0.125 0.000 0.976 343 D CA 0.885 54.835 54.000 -0.083 0.000 0.853 343 D CB 0.090 40.841 40.800 -0.081 0.000 0.939 343 D HN 0.038 nan 8.370 nan 0.000 0.481 344 R N 0.283 120.658 120.500 -0.210 0.000 2.317 344 R HA 0.110 4.450 4.340 0.001 0.000 0.208 344 R C 0.216 176.474 176.300 -0.069 0.000 0.914 344 R CA -0.013 55.972 56.100 -0.191 0.000 1.060 344 R CB 0.096 30.196 30.300 -0.334 0.000 1.015 344 R HN 0.287 nan 8.270 nan 0.000 0.498 345 Q N 0.769 120.562 119.800 -0.011 0.000 2.468 345 Q HA -0.175 4.165 4.340 0.001 0.000 0.289 345 Q C -0.588 175.459 176.000 0.077 0.000 1.299 345 Q CA 0.430 56.272 55.803 0.065 0.000 0.838 345 Q CB -1.656 27.102 28.738 0.033 0.000 1.195 345 Q HN 0.310 nan 8.270 nan 0.000 0.456 346 L N -1.200 120.070 121.223 0.079 0.000 2.468 346 L HA 0.368 4.709 4.340 0.001 0.000 0.254 346 L C 1.645 178.610 176.870 0.158 0.000 1.171 346 L CA 0.371 55.259 54.840 0.081 0.000 0.809 346 L CB 0.257 42.346 42.059 0.050 0.000 1.155 346 L HN 0.296 nan 8.230 nan 0.000 0.473 347 A N 0.672 123.559 122.820 0.112 0.000 2.067 347 A HA 0.313 4.633 4.320 0.001 0.000 0.219 347 A C 0.962 178.648 177.584 0.170 0.000 1.158 347 A CA 1.390 53.493 52.037 0.109 0.000 0.661 347 A CB -0.423 18.594 19.000 0.028 0.000 0.801 347 A HN 1.020 nan 8.150 nan 0.000 0.452 348 G N -2.846 106.027 108.800 0.122 0.000 2.334 348 G HA2 0.556 4.516 3.960 0.001 0.000 0.249 348 G HA3 0.556 4.516 3.960 0.001 0.000 0.249 348 G C -0.783 174.123 174.900 0.011 0.000 1.327 348 G CA -0.170 44.968 45.100 0.065 0.000 0.979 348 G HN 1.317 nan 8.290 nan 0.000 0.471 349 A N -0.445 122.377 122.820 0.003 0.000 2.380 349 A HA 0.872 5.192 4.320 0.001 0.000 0.315 349 A C -0.255 177.368 177.584 0.066 0.000 1.101 349 A CA -0.415 51.648 52.037 0.042 0.000 0.771 349 A CB 1.889 20.910 19.000 0.035 0.000 1.287 349 A HN 1.516 nan 8.150 nan 0.000 0.436 350 M N 2.281 121.969 119.600 0.146 0.000 2.456 350 M HA 0.630 5.110 4.480 0.001 0.000 0.324 350 M C -2.035 174.441 176.300 0.294 0.000 1.124 350 M CA -0.571 54.867 55.300 0.230 0.000 0.959 350 M CB 1.555 34.356 32.600 0.336 0.000 1.692 350 M HN 0.402 nan 8.290 nan 0.000 0.444 351 V N 5.214 125.316 119.914 0.313 0.000 2.487 351 V HA 0.482 4.603 4.120 0.001 0.000 0.298 351 V C -1.290 175.045 176.094 0.401 0.000 1.028 351 V CA -0.589 61.890 62.300 0.297 0.000 0.860 351 V CB 2.038 33.964 31.823 0.173 0.000 0.991 351 V HN 0.861 nan 8.190 nan 0.000 0.427 352 W N 6.224 127.645 121.300 0.202 0.000 2.463 352 W HA 0.799 5.459 4.660 0.000 0.000 0.316 352 W C -0.686 175.922 176.519 0.150 0.000 1.004 352 W CA -0.518 56.910 57.345 0.139 0.000 1.309 352 W CB 1.659 31.140 29.460 0.035 0.000 1.288 352 W HN 0.698 nan 8.180 nan 0.000 0.423 353 A N 4.890 127.618 122.820 -0.154 0.000 2.566 353 A HA 0.472 4.793 4.320 0.001 0.000 0.292 353 A C 0.300 177.796 177.584 -0.146 0.000 1.112 353 A CA -0.655 51.111 52.037 -0.452 0.000 0.707 353 A CB 1.371 19.604 19.000 -1.279 0.000 1.302 353 A HN 0.588 nan 8.150 nan 0.000 0.409 354 L N -0.111 121.060 121.223 -0.087 0.000 2.043 354 L HA -0.231 4.109 4.340 0.001 0.000 0.212 354 L C 1.916 178.907 176.870 0.201 0.000 1.075 354 L CA 2.493 57.417 54.840 0.139 0.000 0.752 354 L CB -0.506 41.625 42.059 0.120 0.000 0.891 354 L HN 1.016 nan 8.230 nan 0.000 0.432 355 D N -0.935 119.430 120.400 -0.057 0.000 2.363 355 D HA -0.110 4.531 4.640 0.001 0.000 0.226 355 D C 1.750 178.133 176.300 0.139 0.000 1.020 355 D CA 0.572 54.507 54.000 -0.109 0.000 0.892 355 D CB -0.072 40.481 40.800 -0.411 0.000 0.900 355 D HN 0.336 nan 8.370 nan 0.000 0.531 356 L N -0.691 120.599 121.223 0.112 0.000 2.638 356 L HA 0.210 4.550 4.340 0.001 0.000 0.232 356 L C 0.901 177.916 176.870 0.242 0.000 1.099 356 L CA -0.301 54.624 54.840 0.141 0.000 0.883 356 L CB 0.097 42.196 42.059 0.066 0.000 1.136 356 L HN 0.043 nan 8.230 nan 0.000 0.492 357 D N 0.416 120.996 120.400 0.300 0.000 2.398 357 D HA -0.037 4.603 4.640 0.001 0.000 0.247 357 D C -0.261 176.222 176.300 0.305 0.000 1.227 357 D CA -0.185 54.006 54.000 0.317 0.000 0.980 357 D CB 0.990 41.988 40.800 0.330 0.000 1.106 357 D HN -0.146 nan 8.370 nan 0.000 0.493 358 D N 0.768 121.293 120.400 0.209 0.000 2.551 358 D HA -0.000 4.640 4.640 0.001 0.000 0.223 358 D C 0.992 177.057 176.300 -0.392 0.000 1.144 358 D CA -0.329 53.633 54.000 -0.065 0.000 1.025 358 D CB -0.992 39.834 40.800 0.043 0.000 1.085 358 D HN 0.351 nan 8.370 nan 0.000 0.506 359 F N 0.831 120.437 119.950 -0.574 0.000 2.293 359 F HA -0.064 4.463 4.527 0.000 0.000 0.300 359 F C 1.723 177.149 175.800 -0.624 0.000 1.086 359 F CA 0.510 57.811 58.000 -1.166 0.000 1.375 359 F CB -0.355 38.129 39.000 -0.859 0.000 1.045 359 F HN 0.126 nan 8.300 nan 0.000 0.516 360 Q N 1.241 120.425 119.800 -1.026 0.000 2.172 360 Q HA 0.076 4.416 4.340 0.001 0.000 0.200 360 Q C 2.129 177.962 176.000 -0.278 0.000 0.964 360 Q CA 1.283 56.755 55.803 -0.551 0.000 0.855 360 Q CB -0.702 27.691 28.738 -0.574 0.000 0.918 360 Q HN 0.741 nan 8.270 nan 0.000 0.444 361 G N 0.832 109.482 108.800 -0.251 0.000 2.162 361 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 361 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 361 G C 0.919 175.776 174.900 -0.072 0.000 0.976 361 G CA 0.918 45.954 45.100 -0.107 0.000 0.655 361 G HN 0.479 nan 8.290 nan 0.000 0.533 362 S N -1.371 114.269 115.700 -0.100 0.000 2.512 362 S HA 0.439 4.910 4.470 0.001 0.000 0.216 362 S C 1.628 176.093 174.600 -0.226 0.000 1.006 362 S CA 0.721 58.814 58.200 -0.179 0.000 0.915 362 S CB -0.090 62.933 63.200 -0.294 0.000 0.824 362 S HN 0.219 nan 8.310 nan 0.000 0.497 363 F N 1.593 121.433 119.950 -0.184 0.000 2.270 363 F HA 0.221 4.748 4.527 0.001 0.000 0.295 363 F C 2.067 177.805 175.800 -0.104 0.000 1.087 363 F CA -0.030 57.889 58.000 -0.134 0.000 1.365 363 F CB -0.474 38.447 39.000 -0.132 0.000 1.056 363 F HN 0.268 nan 8.300 nan 0.000 0.506 364 c N 0.424 119.080 118.600 0.092 0.000 2.625 364 c HA 0.602 5.172 4.570 0.001 0.000 0.285 364 c C 1.388 175.494 174.090 0.026 0.000 1.279 364 c CA -0.142 56.204 56.329 0.028 0.000 1.698 364 c CB -1.731 40.801 42.510 0.037 0.000 1.821 364 c HN 0.740 nan 8.230 nan 0.000 0.600 365 G N 1.183 109.986 108.800 0.004 0.000 2.697 365 G HA2 -0.110 3.850 3.960 0.001 0.000 0.240 365 G HA3 -0.110 3.850 3.960 0.001 0.000 0.240 365 G C 0.248 175.155 174.900 0.012 0.000 1.346 365 G CA 0.380 45.476 45.100 -0.006 0.000 0.887 365 G HN 0.367 nan 8.290 nan 0.000 0.569 366 Q N -1.245 118.562 119.800 0.011 0.000 2.217 366 Q HA -0.248 4.092 4.340 0.001 0.000 0.170 366 Q C 1.124 177.135 176.000 0.018 0.000 0.597 366 Q CA 2.519 58.335 55.803 0.022 0.000 1.426 366 Q CB -1.970 26.794 28.738 0.042 0.000 1.504 366 Q HN 1.683 nan 8.270 nan 0.000 0.860 367 D N -1.671 118.731 120.400 0.004 0.000 3.028 367 D HA -0.223 4.417 4.640 0.001 0.000 0.211 367 D C 0.219 176.528 176.300 0.015 0.000 1.136 367 D CA 1.233 55.231 54.000 -0.003 0.000 0.987 367 D CB -1.026 39.772 40.800 -0.005 0.000 1.128 367 D HN 0.371 nan 8.370 nan 0.000 0.406 368 L N 1.555 122.800 121.223 0.036 0.000 2.360 368 L HA 0.190 4.531 4.340 0.001 0.000 0.276 368 L C 0.598 177.507 176.870 0.065 0.000 1.121 368 L CA 0.204 55.082 54.840 0.063 0.000 0.845 368 L CB 0.511 42.618 42.059 0.080 0.000 1.143 368 L HN -0.102 nan 8.230 nan 0.000 0.452 369 R N 4.478 125.032 120.500 0.090 0.000 2.490 369 R HA 0.292 4.633 4.340 0.001 0.000 0.278 369 R C -0.412 176.018 176.300 0.218 0.000 1.069 369 R CA -0.533 55.603 56.100 0.060 0.000 1.080 369 R CB 0.303 30.686 30.300 0.140 0.000 1.030 369 R HN 0.644 nan 8.270 nan 0.000 0.491 370 F N 0.900 120.926 119.950 0.127 0.000 2.943 370 F HA -0.186 4.342 4.527 0.001 0.000 0.258 370 F C -1.246 174.619 175.800 0.108 0.000 0.995 370 F CA -0.125 57.954 58.000 0.132 0.000 0.896 370 F CB -1.122 37.947 39.000 0.115 0.000 0.821 370 F HN 0.575 nan 8.300 nan 0.000 0.828 371 P HA -0.216 nan 4.420 nan 0.000 0.215 371 P C 1.790 179.159 177.300 0.115 0.000 1.153 371 P CA 1.735 64.940 63.100 0.176 0.000 0.853 371 P CB 0.233 32.062 31.700 0.215 0.000 0.788 372 L N -0.852 120.404 121.223 0.054 0.000 2.072 372 L HA -0.087 4.253 4.340 0.001 0.000 0.205 372 L C 2.652 179.544 176.870 0.037 0.000 1.079 372 L CA 1.934 56.743 54.840 -0.051 0.000 0.752 372 L CB -1.644 40.280 42.059 -0.224 0.000 0.906 372 L HN 0.015 nan 8.230 nan 0.000 0.436 373 T N -0.741 113.882 114.554 0.116 0.000 2.867 373 T HA -0.105 4.245 4.350 0.001 0.000 0.268 373 T C 1.748 176.500 174.700 0.086 0.000 1.057 373 T CA 0.984 63.148 62.100 0.107 0.000 1.136 373 T CB -0.189 68.761 68.868 0.136 0.000 0.874 373 T HN 0.267 nan 8.240 nan 0.000 0.466 374 N N 1.160 119.930 118.700 0.117 0.000 2.216 374 N HA 0.046 4.786 4.740 0.001 0.000 0.183 374 N C 2.180 177.729 175.510 0.065 0.000 1.017 374 N CA 1.095 54.201 53.050 0.093 0.000 0.861 374 N CB -0.304 38.256 38.487 0.122 0.000 0.986 374 N HN 0.400 nan 8.380 nan 0.000 0.428 375 A N 1.383 124.239 122.820 0.060 0.000 1.902 375 A HA -0.086 4.234 4.320 0.001 0.000 0.217 375 A C 2.284 179.883 177.584 0.026 0.000 1.181 375 A CA 0.920 52.981 52.037 0.039 0.000 0.623 375 A CB -0.595 18.421 19.000 0.027 0.000 0.818 375 A HN 0.209 nan 8.150 nan 0.000 0.443 376 I N -0.694 119.891 120.570 0.025 0.000 2.252 376 I HA -0.239 3.931 4.170 0.001 0.000 0.245 376 I C 2.553 178.678 176.117 0.012 0.000 1.102 376 I CA 1.745 63.053 61.300 0.014 0.000 1.385 376 I CB -0.252 37.761 38.000 0.021 0.000 1.064 376 I HN 0.400 nan 8.210 nan 0.000 0.414 377 K N 1.090 121.507 120.400 0.028 0.000 2.002 377 K HA -0.222 4.099 4.320 0.001 0.000 0.209 377 K C 1.663 178.283 176.600 0.033 0.000 1.048 377 K CA 2.014 58.322 56.287 0.034 0.000 0.930 377 K CB -0.061 32.464 32.500 0.041 0.000 0.714 377 K HN 0.187 nan 8.250 nan 0.000 0.438 378 D N 0.527 120.947 120.400 0.033 0.000 2.149 378 D HA -0.156 4.485 4.640 0.001 0.000 0.198 378 D C 1.771 178.085 176.300 0.023 0.000 0.990 378 D CA 1.402 55.421 54.000 0.031 0.000 0.839 378 D CB -0.256 40.564 40.800 0.032 0.000 0.948 378 D HN 0.389 nan 8.370 nan 0.000 0.460 379 A N 0.509 123.335 122.820 0.011 0.000 1.930 379 A HA -0.073 4.247 4.320 0.001 0.000 0.217 379 A C 2.349 179.917 177.584 -0.026 0.000 1.175 379 A CA 0.708 52.742 52.037 -0.005 0.000 0.627 379 A CB -0.679 18.313 19.000 -0.013 0.000 0.815 379 A HN 0.199 nan 8.150 nan 0.000 0.443 380 L N -1.069 120.133 121.223 -0.036 0.000 2.141 380 L HA -0.142 4.198 4.340 0.001 0.000 0.209 380 L C 2.860 179.774 176.870 0.073 0.000 1.094 380 L CA 0.984 55.782 54.840 -0.070 0.000 0.763 380 L CB -0.299 41.735 42.059 -0.041 0.000 0.908 380 L HN 0.446 nan 8.230 nan 0.000 0.437 381 A N -0.268 122.597 122.820 0.075 0.000 2.081 381 A HA 0.325 4.645 4.320 0.001 0.000 0.214 381 A C 1.430 179.056 177.584 0.071 0.000 1.158 381 A CA 0.508 52.600 52.037 0.091 0.000 0.724 381 A CB -0.290 18.749 19.000 0.065 0.000 0.826 381 A HN 0.277 nan 8.150 nan 0.000 0.463 382 A N -0.695 122.154 122.820 0.049 0.000 2.409 382 A HA 0.482 4.802 4.320 0.001 0.000 0.246 382 A C 0.975 178.588 177.584 0.048 0.000 1.099 382 A CA 0.808 52.868 52.037 0.039 0.000 0.789 382 A CB -0.597 18.419 19.000 0.026 0.000 1.053 382 A HN 1.125 nan 8.150 nan 0.000 0.503 383 T N 0.000 114.577 114.554 0.038 0.000 3.816 383 T HA 0.000 4.350 4.350 0.001 0.000 0.228 383 T CA 0.000 62.123 62.100 0.039 0.000 1.349 383 T CB 0.000 68.894 68.868 0.043 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658