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_A 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 38.455 38.460 -0.008 0.000 1.050 23 K N 1.667 122.137 120.400 0.117 0.000 2.143 23 K HA 0.613 4.933 4.320 0.001 0.000 0.272 23 K C -1.385 175.210 176.600 -0.009 0.000 1.001 23 K CA -0.843 55.437 56.287 -0.012 0.000 0.915 23 K CB 1.447 33.776 32.500 -0.286 0.000 1.047 23 K HN 0.411 nan 8.250 nan 0.000 0.458 24 L N 3.928 125.162 121.223 0.018 0.000 2.417 24 L HA 0.245 4.585 4.340 0.001 0.000 0.259 24 L C -1.367 175.507 176.870 0.006 0.000 1.023 24 L CA -0.600 54.250 54.840 0.017 0.000 0.901 24 L CB 1.325 43.409 42.059 0.043 0.000 1.227 24 L HN 0.284 nan 8.230 nan 0.000 0.454 25 V N 3.831 123.707 119.914 -0.064 0.000 2.408 25 V HA 0.352 4.472 4.120 0.001 0.000 0.267 25 V C -0.028 176.074 176.094 0.013 0.000 1.047 25 V CA -0.249 62.010 62.300 -0.068 0.000 0.937 25 V CB 0.735 32.454 31.823 -0.174 0.000 0.999 25 V HN 0.817 nan 8.190 nan 0.000 0.472 26 c N 5.238 123.828 118.600 -0.017 0.000 2.408 26 c HA 0.620 5.190 4.570 0.001 0.000 0.321 26 c C -0.246 173.795 174.090 -0.082 0.000 1.245 26 c CA -1.284 55.049 56.329 0.006 0.000 1.523 26 c CB 0.504 43.006 42.510 -0.013 0.000 2.178 26 c HN 0.746 nan 8.230 nan 0.000 0.488 27 Y N 1.026 121.302 120.300 -0.040 0.000 2.320 27 Y HA 0.474 5.024 4.550 0.000 0.000 0.324 27 Y C -0.054 175.627 175.900 -0.364 0.000 1.190 27 Y CA 0.070 58.050 58.100 -0.199 0.000 1.215 27 Y CB 0.731 38.991 38.460 -0.333 0.000 1.221 27 Y HN 0.713 nan 8.280 nan 0.000 0.486 28 Y N 2.148 122.229 120.300 -0.365 0.000 2.391 28 Y HA 0.456 5.006 4.550 0.000 0.000 0.341 28 Y C -0.594 174.825 175.900 -0.801 0.000 0.965 28 Y CA -1.214 56.575 58.100 -0.519 0.000 1.067 28 Y CB 1.360 39.607 38.460 -0.355 0.000 1.199 28 Y HN 0.636 nan 8.280 nan 0.000 0.450 29 T N 1.190 114.622 114.554 -1.870 0.000 2.795 29 T HA 0.282 4.632 4.350 0.001 0.000 0.282 29 T C 0.901 174.379 174.700 -2.035 0.000 0.980 29 T CA -0.108 60.759 62.100 -2.055 0.000 1.012 29 T CB 1.327 68.611 68.868 -2.640 0.000 0.936 29 T HN 0.752 nan 8.240 nan 0.000 0.457 30 S N 1.530 116.427 115.700 -1.340 0.000 2.507 30 S HA -0.079 4.392 4.470 0.001 0.000 0.235 30 S C 1.361 175.687 174.600 -0.457 0.000 0.988 30 S CA 0.265 58.045 58.200 -0.700 0.000 0.944 30 S CB -0.874 62.204 63.200 -0.203 0.000 0.762 30 S HN 1.007 nan 8.310 nan 0.000 0.526 31 W N 2.058 123.122 121.300 -0.393 0.000 3.197 31 W HA 0.389 5.049 4.660 0.000 0.000 0.274 31 W C 1.738 178.097 176.519 -0.267 0.000 1.297 31 W CA 0.058 57.278 57.345 -0.208 0.000 1.662 31 W CB -0.705 28.774 29.460 0.032 0.000 1.106 31 W HN 0.266 nan 8.180 nan 0.000 0.663 32 S N 1.136 116.409 115.700 -0.711 0.000 2.474 32 S HA -0.296 4.175 4.470 0.001 0.000 0.235 32 S C 1.783 176.156 174.600 -0.379 0.000 0.997 32 S CA 1.234 59.142 58.200 -0.487 0.000 0.949 32 S CB -0.845 61.955 63.200 -0.667 0.000 0.766 32 S HN 0.694 nan 8.310 nan 0.000 0.517 33 Q N 0.058 119.486 119.800 -0.620 0.000 2.170 33 Q HA -0.135 4.206 4.340 0.001 0.000 0.203 33 Q C 1.150 176.958 176.000 -0.319 0.000 0.976 33 Q CA 1.317 56.643 55.803 -0.796 0.000 0.858 33 Q CB -0.822 27.120 28.738 -1.326 0.000 0.907 33 Q HN 0.662 nan 8.270 nan 0.000 0.433 34 Y N 1.140 121.462 120.300 0.036 0.000 2.583 34 Y HA 0.200 4.751 4.550 0.001 0.000 0.293 34 Y C 0.466 176.467 175.900 0.169 0.000 1.157 34 Y CA -0.306 57.884 58.100 0.151 0.000 1.315 34 Y CB -0.068 38.505 38.460 0.188 0.000 1.021 34 Y HN -0.007 nan 8.280 nan 0.000 0.536 35 R N 1.657 122.321 120.500 0.273 0.000 2.537 35 R HA 0.071 4.411 4.340 0.001 0.000 0.280 35 R C 0.292 176.784 176.300 0.319 0.000 1.058 35 R CA -0.190 56.089 56.100 0.299 0.000 1.057 35 R CB 0.456 30.937 30.300 0.303 0.000 0.973 35 R HN 0.326 nan 8.270 nan 0.000 0.438 36 E N 0.974 121.367 120.200 0.320 0.000 2.436 36 E HA -0.003 4.347 4.350 0.001 0.000 0.262 36 E C 1.077 177.919 176.600 0.404 0.000 1.063 36 E CA 0.506 57.082 56.400 0.293 0.000 0.944 36 E CB 0.394 30.203 29.700 0.181 0.000 0.950 36 E HN 0.759 nan 8.360 nan 0.000 0.444 37 G N 3.060 112.049 108.800 0.315 0.000 2.661 37 G HA2 -0.400 3.560 3.960 0.001 0.000 0.327 37 G HA3 -0.400 3.560 3.960 0.001 0.000 0.327 37 G C 0.454 175.532 174.900 0.296 0.000 1.320 37 G CA 0.590 45.882 45.100 0.320 0.000 0.997 37 G HN 0.746 nan 8.290 nan 0.000 0.543 38 D N 1.500 122.054 120.400 0.257 0.000 2.384 38 D HA 0.022 4.663 4.640 0.001 0.000 0.222 38 D C 2.274 178.515 176.300 -0.097 0.000 0.976 38 D CA 1.364 55.397 54.000 0.054 0.000 0.915 38 D CB -0.742 40.047 40.800 -0.018 0.000 0.896 38 D HN 0.590 nan 8.370 nan 0.000 0.523 39 G N 0.278 109.083 108.800 0.009 0.000 2.464 39 G HA2 -0.139 3.821 3.960 0.001 0.000 0.217 39 G HA3 -0.139 3.821 3.960 0.001 0.000 0.217 39 G C 0.865 175.930 174.900 0.274 0.000 1.138 39 G CA -0.029 45.092 45.100 0.035 0.000 0.793 39 G HN 0.238 nan 8.290 nan 0.000 0.539 40 S N -0.378 115.487 115.700 0.274 0.000 2.525 40 S HA 0.240 4.710 4.470 0.001 0.000 0.285 40 S C -0.233 174.444 174.600 0.129 0.000 1.283 40 S CA -0.401 57.916 58.200 0.196 0.000 1.072 40 S CB -0.008 63.359 63.200 0.278 0.000 0.867 40 S HN 0.329 nan 8.310 nan 0.000 0.492 41 C N 7.276 126.474 119.300 -0.171 0.000 2.364 41 C HA 0.767 5.227 4.460 0.001 0.000 0.324 41 C C -1.085 173.752 174.990 -0.254 0.000 1.234 41 C CA -0.846 57.933 59.018 -0.400 0.000 1.417 41 C CB -0.665 26.527 27.740 -0.912 0.000 2.101 41 C HN 0.854 nan 8.230 nan 0.000 0.466 42 F N 5.480 125.354 119.950 -0.127 0.000 2.538 42 F HA 0.487 5.014 4.527 0.000 0.000 0.325 42 F C -1.411 174.211 175.800 -0.296 0.000 1.066 42 F CA -1.894 56.041 58.000 -0.108 0.000 0.946 42 F CB 1.480 40.438 39.000 -0.069 0.000 1.199 42 F HN 0.374 nan 8.300 nan 0.000 0.473 43 P HA -0.223 nan 4.420 nan 0.000 0.217 43 P C 1.038 178.214 177.300 -0.207 0.000 1.151 43 P CA 1.794 64.606 63.100 -0.480 0.000 0.849 43 P CB 0.025 31.516 31.700 -0.349 0.000 0.787 44 D N -0.590 119.766 120.400 -0.074 0.000 2.350 44 D HA -0.092 4.549 4.640 0.001 0.000 0.216 44 D C 1.402 177.700 176.300 -0.002 0.000 0.968 44 D CA 1.007 54.980 54.000 -0.046 0.000 0.894 44 D CB -0.717 40.063 40.800 -0.034 0.000 0.909 44 D HN 0.148 nan 8.370 nan 0.000 0.520 45 A N 0.232 123.066 122.820 0.025 0.000 2.251 45 A HA 0.243 4.563 4.320 0.001 0.000 0.209 45 A C 1.180 178.888 177.584 0.205 0.000 1.187 45 A CA -0.280 51.826 52.037 0.116 0.000 0.823 45 A CB -0.279 18.797 19.000 0.127 0.000 0.846 45 A HN 0.216 nan 8.150 nan 0.000 0.486 46 L N 0.297 121.559 121.223 0.065 0.000 2.375 46 L HA 0.262 4.602 4.340 0.001 0.000 0.271 46 L C -0.180 176.646 176.870 -0.074 0.000 1.107 46 L CA -0.803 54.037 54.840 0.000 0.000 0.806 46 L CB 0.792 42.748 42.059 -0.173 0.000 1.146 46 L HN 0.110 nan 8.230 nan 0.000 0.447 47 D N 1.878 122.150 120.400 -0.214 0.000 2.336 47 D HA 0.054 4.694 4.640 0.001 0.000 0.249 47 D C 1.258 177.436 176.300 -0.203 0.000 1.213 47 D CA -0.403 53.516 54.000 -0.135 0.000 0.870 47 D CB 0.923 41.649 40.800 -0.123 0.000 1.076 47 D HN 0.495 nan 8.370 nan 0.000 0.483 48 R N 2.696 123.052 120.500 -0.240 0.000 2.249 48 R HA -0.110 4.231 4.340 0.001 0.000 0.230 48 R C 0.680 176.676 176.300 -0.506 0.000 1.121 48 R CA 1.160 57.011 56.100 -0.416 0.000 0.997 48 R CB -0.340 29.615 30.300 -0.574 0.000 0.867 48 R HN 0.289 nan 8.270 nan 0.000 0.465 49 F N -0.160 119.742 119.950 -0.079 0.000 2.695 49 F HA 0.206 4.733 4.527 0.001 0.000 0.303 49 F C 1.540 177.298 175.800 -0.069 0.000 1.091 49 F CA -0.606 57.357 58.000 -0.062 0.000 1.300 49 F CB 0.176 39.154 39.000 -0.038 0.000 1.071 49 F HN -0.042 nan 8.300 nan 0.000 0.578 50 L N -0.290 120.936 121.223 0.006 0.000 2.005 50 L HA -0.057 4.284 4.340 0.001 0.000 0.207 50 L C 0.886 177.734 176.870 -0.036 0.000 1.072 50 L CA 1.413 56.222 54.840 -0.051 0.000 0.744 50 L CB -0.293 41.630 42.059 -0.228 0.000 0.895 50 L HN 0.076 nan 8.230 nan 0.000 0.433 51 c N -1.840 116.721 118.600 -0.064 0.000 2.407 51 c HA 0.504 5.075 4.570 0.001 0.000 0.366 51 c C 1.917 176.005 174.090 -0.004 0.000 1.213 51 c CA 0.018 56.333 56.329 -0.024 0.000 2.011 51 c CB 1.258 43.744 42.510 -0.040 0.000 2.306 51 c HN 0.588 nan 8.230 nan 0.000 0.527 52 T N -2.436 112.152 114.554 0.057 0.000 3.037 52 T HA 0.132 4.482 4.350 0.001 0.000 0.252 52 T C 0.033 174.676 174.700 -0.094 0.000 1.073 52 T CA 0.869 62.992 62.100 0.038 0.000 1.091 52 T CB -0.208 68.760 68.868 0.166 0.000 0.935 52 T HN 0.789 nan 8.240 nan 0.000 0.488 53 H N -0.288 118.749 119.070 -0.057 0.000 2.856 53 H HA 0.649 5.205 4.556 0.000 0.000 0.355 53 H C -1.193 174.102 175.328 -0.054 0.000 1.079 53 H CA -0.962 55.065 56.048 -0.036 0.000 1.240 53 H CB 1.406 31.152 29.762 -0.026 0.000 1.701 53 H HN 0.178 nan 8.280 nan 0.000 0.527 54 I N 4.126 124.734 120.570 0.063 0.000 2.406 54 I HA 0.361 4.532 4.170 0.001 0.000 0.290 54 I C -0.436 175.706 176.117 0.042 0.000 0.999 54 I CA -0.552 60.753 61.300 0.008 0.000 1.124 54 I CB 1.594 39.580 38.000 -0.023 0.000 1.289 54 I HN 0.403 nan 8.210 nan 0.000 0.441 55 I N 6.045 126.571 120.570 -0.073 0.000 2.378 55 I HA 0.240 4.411 4.170 0.001 0.000 0.291 55 I C -0.819 175.324 176.117 0.043 0.000 0.992 55 I CA -0.812 60.443 61.300 -0.074 0.000 1.154 55 I CB 1.517 39.251 38.000 -0.444 0.000 1.315 55 I HN 0.471 nan 8.210 nan 0.000 0.448 56 Y N 5.470 125.799 120.300 0.049 0.000 2.336 56 Y HA 0.283 4.834 4.550 0.001 0.000 0.335 56 Y C -0.036 175.849 175.900 -0.025 0.000 1.046 56 Y CA 0.216 58.371 58.100 0.093 0.000 1.198 56 Y CB 0.994 39.586 38.460 0.220 0.000 1.182 56 Y HN 0.501 nan 8.280 nan 0.000 0.502 57 S N 6.462 121.869 115.700 -0.488 0.000 2.561 57 S HA 0.632 5.103 4.470 0.001 0.000 0.303 57 S C -1.421 172.877 174.600 -0.504 0.000 1.110 57 S CA -0.544 57.228 58.200 -0.714 0.000 1.034 57 S CB 0.720 63.105 63.200 -1.358 0.000 1.010 57 S HN 0.518 nan 8.310 nan 0.000 0.482 58 F N 0.929 120.929 119.950 0.084 0.000 2.620 58 F HA 0.771 5.299 4.527 0.001 0.000 0.320 58 F C 0.346 176.325 175.800 0.298 0.000 1.069 58 F CA -0.948 57.150 58.000 0.163 0.000 0.953 58 F CB 1.392 40.411 39.000 0.032 0.000 1.322 58 F HN 0.629 nan 8.300 nan 0.000 0.479 59 A N 1.446 124.587 122.820 0.535 0.000 2.282 59 A HA 0.622 4.943 4.320 0.001 0.000 0.319 59 A C -0.639 177.262 177.584 0.527 0.000 1.121 59 A CA -0.421 51.911 52.037 0.491 0.000 0.836 59 A CB 0.848 20.017 19.000 0.281 0.000 1.146 59 A HN 0.739 nan 8.150 nan 0.000 0.494 60 N N -0.513 118.511 118.700 0.540 0.000 2.530 60 N HA 0.650 5.391 4.740 0.001 0.000 0.283 60 N C -1.124 174.526 175.510 0.234 0.000 1.238 60 N CA -0.539 52.829 53.050 0.529 0.000 0.971 60 N CB 0.808 39.492 38.487 0.327 0.000 1.195 60 N HN 0.477 nan 8.380 nan 0.000 0.583 61 I N 0.691 121.383 120.570 0.204 0.000 2.497 61 I HA 0.254 4.424 4.170 0.001 0.000 0.284 61 I C -0.899 175.215 176.117 -0.004 0.000 1.060 61 I CA -0.465 60.858 61.300 0.039 0.000 1.071 61 I CB 1.635 39.536 38.000 -0.165 0.000 1.216 61 I HN 0.259 nan 8.210 nan 0.000 0.442 62 S N 4.980 120.694 115.700 0.024 0.000 2.502 62 S HA 0.394 4.864 4.470 0.001 0.000 0.304 62 S C 0.287 174.931 174.600 0.073 0.000 1.097 62 S CA -0.564 57.638 58.200 0.003 0.000 1.045 62 S CB 1.321 64.514 63.200 -0.011 0.000 1.019 62 S HN 0.733 nan 8.310 nan 0.000 0.481 63 N N 2.623 121.349 118.700 0.044 0.000 2.725 63 N HA -0.164 4.577 4.740 0.001 0.000 0.249 63 N C -0.745 174.889 175.510 0.207 0.000 1.103 63 N CA 1.150 54.264 53.050 0.107 0.000 0.707 63 N CB -1.031 37.522 38.487 0.110 0.000 1.043 63 N HN 0.845 nan 8.380 nan 0.000 0.553 64 D N -2.631 117.818 120.400 0.081 0.000 3.076 64 D HA -0.195 4.445 4.640 0.001 0.000 0.218 64 D C -0.206 176.114 176.300 0.034 0.000 1.156 64 D CA 1.345 55.358 54.000 0.022 0.000 0.921 64 D CB -1.451 39.344 40.800 -0.009 0.000 1.113 64 D HN 0.666 nan 8.370 nan 0.000 0.418 65 H N -0.427 118.704 119.070 0.101 0.000 2.524 65 H HA 0.587 5.143 4.556 0.001 0.000 0.353 65 H C 0.392 175.784 175.328 0.107 0.000 1.136 65 H CA -0.762 55.362 56.048 0.126 0.000 1.193 65 H CB 1.602 31.405 29.762 0.069 0.000 1.558 65 H HN 0.079 nan 8.280 nan 0.000 0.515 66 I N 1.736 122.410 120.570 0.174 0.000 2.634 66 I HA 0.114 4.284 4.170 0.001 0.000 0.284 66 I C -0.464 175.444 176.117 -0.348 0.000 1.124 66 I CA 0.667 61.950 61.300 -0.029 0.000 1.417 66 I CB 0.276 38.161 38.000 -0.192 0.000 1.396 66 I HN 0.711 nan 8.210 nan 0.000 0.571 67 D N 3.569 123.802 120.400 -0.280 0.000 2.615 67 D HA 0.314 4.954 4.640 0.001 0.000 0.267 67 D C -0.901 175.468 176.300 0.115 0.000 1.236 67 D CA -0.190 53.719 54.000 -0.151 0.000 0.839 67 D CB 1.695 42.521 40.800 0.044 0.000 1.380 67 D HN 0.633 nan 8.370 nan 0.000 0.433 68 T N -1.410 113.339 114.554 0.326 0.000 2.802 68 T HA 0.077 4.427 4.350 0.001 0.000 0.305 68 T C 0.369 175.292 174.700 0.372 0.000 1.053 68 T CA -0.298 62.039 62.100 0.396 0.000 1.058 68 T CB 0.886 69.900 68.868 0.243 0.000 0.988 68 T HN 0.534 nan 8.240 nan 0.000 0.539 69 W N 0.460 121.914 121.300 0.257 0.000 3.227 69 W HA 0.342 5.003 4.660 0.001 0.000 0.246 69 W C 0.413 177.080 176.519 0.248 0.000 1.007 69 W CA 0.090 57.589 57.345 0.258 0.000 1.925 69 W CB -0.064 29.598 29.460 0.336 0.000 1.062 69 W HN 0.673 nan 8.180 nan 0.000 0.649 70 E N 1.376 121.955 120.200 0.632 0.000 2.349 70 E HA 0.022 4.372 4.350 0.001 0.000 0.265 70 E C 1.409 178.168 176.600 0.266 0.000 1.064 70 E CA -0.119 56.574 56.400 0.488 0.000 0.886 70 E CB 0.185 30.112 29.700 0.378 0.000 1.036 70 E HN 0.203 nan 8.360 nan 0.000 0.413 71 W N 3.854 125.298 121.300 0.241 0.000 2.350 71 W HA -0.157 4.504 4.660 0.000 0.000 0.289 71 W C 0.463 177.058 176.519 0.126 0.000 1.215 71 W CA 1.317 58.756 57.345 0.158 0.000 1.236 71 W CB -0.611 28.940 29.460 0.151 0.000 1.130 71 W HN 0.504 nan 8.180 nan 0.000 0.541 72 N N 0.569 118.683 118.700 -0.977 0.000 2.273 72 N HA -0.047 4.693 4.740 0.001 0.000 0.231 72 N C 0.551 175.762 175.510 -0.498 0.000 1.134 72 N CA 0.165 52.660 53.050 -0.926 0.000 0.856 72 N CB -0.740 36.765 38.487 -1.638 0.000 1.068 72 N HN -0.082 nan 8.380 nan 0.000 0.510 73 D N 0.951 121.123 120.400 -0.380 0.000 2.116 73 D HA -0.121 4.520 4.640 0.001 0.000 0.193 73 D C 1.811 177.512 176.300 -0.998 0.000 0.998 73 D CA 0.953 54.617 54.000 -0.559 0.000 0.836 73 D CB 0.071 40.556 40.800 -0.524 0.000 0.951 73 D HN 0.089 nan 8.370 nan 0.000 0.449 74 V N 1.048 120.512 119.914 -0.750 0.000 2.324 74 V HA -0.289 3.832 4.120 0.001 0.000 0.250 74 V C 2.523 178.446 176.094 -0.286 0.000 1.060 74 V CA 2.125 64.111 62.300 -0.523 0.000 1.042 74 V CB -0.874 30.838 31.823 -0.184 0.000 0.650 74 V HN 0.249 nan 8.190 nan 0.000 0.450 75 T N 0.418 114.826 114.554 -0.242 0.000 2.674 75 T HA -0.100 4.251 4.350 0.001 0.000 0.265 75 T C 1.867 176.504 174.700 -0.105 0.000 1.039 75 T CA 1.560 63.574 62.100 -0.142 0.000 1.150 75 T CB -0.303 68.481 68.868 -0.140 0.000 0.864 75 T HN 0.319 nan 8.240 nan 0.000 0.427 76 L N -0.254 120.902 121.223 -0.112 0.000 2.131 76 L HA -0.101 4.239 4.340 0.001 0.000 0.210 76 L C 2.571 179.452 176.870 0.018 0.000 1.092 76 L CA 1.288 56.145 54.840 0.028 0.000 0.759 76 L CB -0.783 41.389 42.059 0.189 0.000 0.903 76 L HN 0.253 nan 8.230 nan 0.000 0.435 77 Y N 0.855 120.997 120.300 -0.263 0.000 2.128 77 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 77 Y C 2.670 178.380 175.900 -0.317 0.000 1.154 77 Y CA 1.014 58.891 58.100 -0.372 0.000 1.149 77 Y CB -1.487 36.777 38.460 -0.326 0.000 0.976 77 Y HN 0.116 nan 8.280 nan 0.000 0.505 78 G N -0.878 107.898 108.800 -0.039 0.000 2.418 78 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 78 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 78 G C 1.875 176.714 174.900 -0.101 0.000 1.158 78 G CA 0.857 45.904 45.100 -0.088 0.000 0.771 78 G HN 0.336 nan 8.290 nan 0.000 0.545 79 M N -0.455 119.101 119.600 -0.073 0.000 2.108 79 M HA -0.012 4.468 4.480 0.001 0.000 0.261 79 M C 2.350 178.585 176.300 -0.109 0.000 1.066 79 M CA 1.164 56.420 55.300 -0.074 0.000 1.107 79 M CB -0.087 32.494 32.600 -0.032 0.000 1.356 79 M HN 0.308 nan 8.290 nan 0.000 0.406 80 L N 0.558 121.712 121.223 -0.114 0.000 2.023 80 L HA -0.140 4.200 4.340 0.001 0.000 0.205 80 L C 1.777 178.540 176.870 -0.178 0.000 1.073 80 L CA 1.864 56.620 54.840 -0.141 0.000 0.745 80 L CB -0.941 41.083 42.059 -0.059 0.000 0.900 80 L HN 0.272 nan 8.230 nan 0.000 0.435 81 N N -0.824 117.737 118.700 -0.232 0.000 2.381 81 N HA -0.128 4.612 4.740 0.001 0.000 0.182 81 N C 1.584 176.982 175.510 -0.188 0.000 1.025 81 N CA 1.474 54.371 53.050 -0.254 0.000 0.888 81 N CB -0.339 37.938 38.487 -0.350 0.000 0.965 81 N HN 0.444 nan 8.380 nan 0.000 0.438 82 T N 1.755 116.214 114.554 -0.158 0.000 2.833 82 T HA 0.008 4.358 4.350 0.001 0.000 0.269 82 T C 2.037 176.652 174.700 -0.141 0.000 1.054 82 T CA 0.435 62.456 62.100 -0.131 0.000 1.135 82 T CB -0.093 68.711 68.868 -0.107 0.000 0.869 82 T HN 0.210 nan 8.240 nan 0.000 0.466 83 L N 0.468 121.593 121.223 -0.163 0.000 2.261 83 L HA -0.097 4.243 4.340 0.001 0.000 0.216 83 L C 2.429 179.166 176.870 -0.222 0.000 1.114 83 L CA 1.213 55.935 54.840 -0.196 0.000 0.777 83 L CB -0.495 41.439 42.059 -0.209 0.000 0.910 83 L HN 0.228 nan 8.230 nan 0.000 0.440 84 K N -0.276 120.011 120.400 -0.187 0.000 2.439 84 K HA -0.054 4.267 4.320 0.001 0.000 0.197 84 K C 1.632 178.146 176.600 -0.143 0.000 1.041 84 K CA 0.335 56.518 56.287 -0.173 0.000 0.970 84 K CB -0.054 32.355 32.500 -0.152 0.000 0.773 84 K HN 0.338 nan 8.250 nan 0.000 0.479 85 N N 1.280 119.903 118.700 -0.128 0.000 2.120 85 N HA -0.137 4.603 4.740 0.001 0.000 0.188 85 N C 1.296 176.761 175.510 -0.074 0.000 1.024 85 N CA 1.256 54.251 53.050 -0.092 0.000 0.852 85 N CB -0.013 38.426 38.487 -0.079 0.000 1.003 85 N HN 0.223 nan 8.380 nan 0.000 0.424 86 R N -0.241 120.199 120.500 -0.100 0.000 2.334 86 R HA 0.161 4.502 4.340 0.001 0.000 0.216 86 R C 0.030 176.299 176.300 -0.051 0.000 0.905 86 R CA 0.018 56.092 56.100 -0.043 0.000 1.064 86 R CB 0.203 30.493 30.300 -0.017 0.000 1.046 86 R HN 0.014 nan 8.270 nan 0.000 0.508 87 N N 0.542 119.132 118.700 -0.183 0.000 2.750 87 N HA 0.177 4.917 4.740 0.001 0.000 0.253 87 N C -2.397 173.045 175.510 -0.113 0.000 1.408 87 N CA -2.071 50.871 53.050 -0.180 0.000 0.780 87 N CB 1.401 39.547 38.487 -0.569 0.000 1.191 87 N HN -0.221 nan 8.380 nan 0.000 0.511 88 P HA -0.043 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 1.198 64.268 63.100 -0.051 0.000 0.813 88 P CB 0.376 32.062 31.700 -0.023 0.000 0.778 89 N N -1.348 117.327 118.700 -0.042 0.000 2.446 89 N HA -0.002 4.738 4.740 0.001 0.000 0.179 89 N C 0.364 175.811 175.510 -0.106 0.000 1.054 89 N CA 0.035 53.053 53.050 -0.052 0.000 0.905 89 N CB -0.572 37.906 38.487 -0.014 0.000 0.973 89 N HN 0.097 nan 8.380 nan 0.000 0.448 90 L N 1.200 122.347 121.223 -0.126 0.000 2.513 90 L HA 0.127 4.468 4.340 0.001 0.000 0.272 90 L C -0.174 176.587 176.870 -0.182 0.000 1.187 90 L CA 0.227 54.965 54.840 -0.169 0.000 0.895 90 L CB 0.253 42.199 42.059 -0.188 0.000 1.147 90 L HN -0.134 nan 8.230 nan 0.000 0.483 91 K N 2.717 122.962 120.400 -0.257 0.000 2.118 91 K HA 0.691 5.011 4.320 0.001 0.000 0.254 91 K C -0.634 175.918 176.600 -0.080 0.000 0.961 91 K CA -0.424 55.739 56.287 -0.207 0.000 0.876 91 K CB 1.856 34.137 32.500 -0.365 0.000 1.077 91 K HN 0.694 nan 8.250 nan 0.000 0.440 92 T N 2.054 116.622 114.554 0.023 0.000 2.893 92 T HA 0.695 5.045 4.350 0.001 0.000 0.293 92 T C -1.291 173.580 174.700 0.285 0.000 1.027 92 T CA -0.664 61.518 62.100 0.136 0.000 0.988 92 T CB 0.905 69.812 68.868 0.064 0.000 1.043 92 T HN 0.176 nan 8.240 nan 0.000 0.461 93 L N 2.202 123.609 121.223 0.308 0.000 2.376 93 L HA 0.719 5.059 4.340 0.001 0.000 0.258 93 L C -1.317 175.528 176.870 -0.040 0.000 1.013 93 L CA -0.867 54.085 54.840 0.186 0.000 0.822 93 L CB 1.780 43.934 42.059 0.159 0.000 1.388 93 L HN 0.440 nan 8.230 nan 0.000 0.413 94 L N 0.695 121.698 121.223 -0.366 0.000 2.313 94 L HA 0.705 5.046 4.340 0.001 0.000 0.283 94 L C -0.225 176.613 176.870 -0.054 0.000 1.013 94 L CA 0.149 54.673 54.840 -0.527 0.000 0.816 94 L CB 1.644 43.034 42.059 -1.116 0.000 1.236 94 L HN 0.579 nan 8.230 nan 0.000 0.419 95 S N 3.861 119.643 115.700 0.137 0.000 2.480 95 S HA 0.639 5.109 4.470 0.001 0.000 0.286 95 S C -0.891 173.972 174.600 0.438 0.000 1.180 95 S CA -0.500 57.906 58.200 0.344 0.000 1.075 95 S CB 1.143 64.656 63.200 0.522 0.000 0.996 95 S HN 0.655 nan 8.310 nan 0.000 0.487 96 V N 6.002 126.145 119.914 0.381 0.000 2.417 96 V HA 0.833 4.953 4.120 0.001 0.000 0.291 96 V C 0.679 176.840 176.094 0.113 0.000 1.024 96 V CA 1.127 63.570 62.300 0.240 0.000 0.861 96 V CB 0.469 32.410 31.823 0.196 0.000 0.985 96 V HN 1.344 nan 8.190 nan 0.000 0.436 97 G N 4.399 113.028 108.800 -0.285 0.000 2.436 97 G HA2 0.479 4.440 3.960 0.001 0.000 0.205 97 G HA3 0.479 4.440 3.960 0.001 0.000 0.205 97 G C 0.679 175.091 174.900 -0.814 0.000 1.188 97 G CA 0.146 44.924 45.100 -0.536 0.000 1.267 97 G HN 2.632 nan 8.290 nan 0.000 0.536 98 G N -1.910 106.364 108.800 -0.877 0.000 2.663 98 G HA2 0.090 4.051 3.960 0.001 0.000 0.686 98 G HA3 0.090 4.051 3.960 0.001 0.000 0.686 98 G C 0.692 175.324 174.900 -0.446 0.000 1.246 98 G CA 0.454 44.742 45.100 -1.352 0.000 0.795 98 G HN 1.897 nan 8.290 nan 0.000 0.627 99 W N 0.838 121.886 121.300 -0.420 0.000 2.325 99 W HA -0.130 4.531 4.660 0.001 0.000 0.299 99 W C 1.428 177.841 176.519 -0.177 0.000 1.215 99 W CA 1.810 58.998 57.345 -0.262 0.000 1.244 99 W CB 0.062 29.398 29.460 -0.207 0.000 1.140 99 W HN 0.532 nan 8.180 nan 0.000 0.523 100 N N 0.302 118.924 118.700 -0.131 0.000 2.362 100 N HA -0.021 4.720 4.740 0.001 0.000 0.211 100 N C 0.785 176.285 175.510 -0.017 0.000 1.170 100 N CA 0.351 53.328 53.050 -0.122 0.000 0.828 100 N CB -0.886 37.556 38.487 -0.074 0.000 1.034 100 N HN 0.137 nan 8.380 nan 0.000 0.475 101 F N 0.860 120.688 119.950 -0.203 0.000 2.220 101 F HA 0.286 4.813 4.527 0.001 0.000 0.290 101 F C 1.045 176.765 175.800 -0.132 0.000 1.080 101 F CA 0.896 58.847 58.000 -0.083 0.000 1.318 101 F CB 0.247 39.171 39.000 -0.128 0.000 1.063 101 F HN 0.081 nan 8.300 nan 0.000 0.498 102 G N 0.424 109.171 108.800 -0.088 0.000 3.035 102 G HA2 -0.150 3.811 3.960 0.001 0.000 0.674 102 G HA3 -0.150 3.811 3.960 0.001 0.000 0.674 102 G C 0.627 175.519 174.900 -0.013 0.000 1.159 102 G CA 0.147 45.142 45.100 -0.176 0.000 1.098 102 G HN 0.701 nan 8.290 nan 0.000 0.473 103 S N 0.854 116.577 115.700 0.037 0.000 2.407 103 S HA -0.270 4.201 4.470 0.001 0.000 0.235 103 S C 2.156 176.846 174.600 0.149 0.000 1.036 103 S CA 1.996 60.331 58.200 0.224 0.000 1.013 103 S CB -0.163 63.205 63.200 0.280 0.000 0.820 103 S HN 0.713 nan 8.310 nan 0.000 0.476 104 Q N 1.778 121.594 119.800 0.027 0.000 2.030 104 Q HA -0.081 4.259 4.340 0.001 0.000 0.204 104 Q C 2.554 178.516 176.000 -0.064 0.000 0.986 104 Q CA 1.701 57.497 55.803 -0.013 0.000 0.843 104 Q CB -0.566 28.133 28.738 -0.066 0.000 0.904 104 Q HN 0.712 nan 8.270 nan 0.000 0.420 105 R N -0.492 119.919 120.500 -0.148 0.000 2.073 105 R HA -0.102 4.239 4.340 0.001 0.000 0.234 105 R C 2.301 178.504 176.300 -0.161 0.000 1.134 105 R CA 1.070 57.039 56.100 -0.218 0.000 0.952 105 R CB -0.578 29.447 30.300 -0.458 0.000 0.850 105 R HN 0.157 nan 8.270 nan 0.000 0.433 106 F N 1.577 121.381 119.950 -0.242 0.000 2.126 106 F HA -0.226 4.302 4.527 0.001 0.000 0.299 106 F C 2.816 178.119 175.800 -0.829 0.000 1.096 106 F CA 1.420 59.032 58.000 -0.647 0.000 1.255 106 F CB -0.633 37.612 39.000 -1.258 0.000 0.997 106 F HN -0.036 nan 8.300 nan 0.000 0.479 107 S N -0.303 115.249 115.700 -0.247 0.000 2.348 107 S HA -0.219 4.252 4.470 0.001 0.000 0.221 107 S C 2.185 176.760 174.600 -0.041 0.000 1.033 107 S CA 1.534 59.751 58.200 0.028 0.000 1.010 107 S CB -0.255 63.087 63.200 0.235 0.000 0.891 107 S HN 0.364 nan 8.310 nan 0.000 0.442 108 K N 0.334 120.691 120.400 -0.072 0.000 2.113 108 K HA -0.083 4.237 4.320 0.001 0.000 0.208 108 K C 2.007 178.542 176.600 -0.108 0.000 1.047 108 K CA 1.752 57.989 56.287 -0.085 0.000 0.928 108 K CB -0.362 32.084 32.500 -0.090 0.000 0.716 108 K HN 0.481 nan 8.250 nan 0.000 0.446 109 I N 0.476 120.958 120.570 -0.147 0.000 2.286 109 I HA -0.202 3.968 4.170 0.001 0.000 0.245 109 I C 2.447 178.510 176.117 -0.091 0.000 1.104 109 I CA 0.998 62.207 61.300 -0.152 0.000 1.397 109 I CB -0.313 37.516 38.000 -0.285 0.000 1.072 109 I HN 0.097 nan 8.210 nan 0.000 0.417 110 A N 0.658 123.433 122.820 -0.075 0.000 2.014 110 A HA -0.134 4.186 4.320 0.001 0.000 0.218 110 A C 2.458 180.011 177.584 -0.052 0.000 1.163 110 A CA 1.680 53.745 52.037 0.047 0.000 0.652 110 A CB -0.566 18.572 19.000 0.230 0.000 0.808 110 A HN 0.508 nan 8.150 nan 0.000 0.449 111 S N -0.063 115.502 115.700 -0.226 0.000 2.425 111 S HA -0.025 4.445 4.470 0.001 0.000 0.225 111 S C 0.901 175.359 174.600 -0.236 0.000 1.024 111 S CA 0.293 58.156 58.200 -0.561 0.000 0.951 111 S CB -0.490 62.393 63.200 -0.528 0.000 0.796 111 S HN 0.506 nan 8.310 nan 0.000 0.498 112 N N 1.953 120.581 118.700 -0.120 0.000 2.411 112 N HA 0.140 4.881 4.740 0.001 0.000 0.259 112 N C 0.439 175.936 175.510 -0.022 0.000 1.103 112 N CA 0.318 53.335 53.050 -0.056 0.000 0.954 112 N CB 1.131 39.591 38.487 -0.046 0.000 1.085 112 N HN 0.218 nan 8.380 nan 0.000 0.485 113 T N 3.587 118.140 114.554 -0.002 0.000 2.737 113 T HA -0.197 4.153 4.350 0.001 0.000 0.269 113 T C 1.448 176.158 174.700 0.017 0.000 1.040 113 T CA 1.619 63.729 62.100 0.017 0.000 1.142 113 T CB 0.114 68.996 68.868 0.024 0.000 0.861 113 T HN 0.583 nan 8.240 nan 0.000 0.456 114 Q N 0.850 120.656 119.800 0.009 0.000 2.049 114 Q HA 0.070 4.410 4.340 0.001 0.000 0.198 114 Q C 2.753 178.759 176.000 0.009 0.000 0.971 114 Q CA 1.246 57.055 55.803 0.010 0.000 0.833 114 Q CB -0.463 28.280 28.738 0.008 0.000 0.896 114 Q HN 0.338 nan 8.270 nan 0.000 0.434 115 S N 0.426 116.127 115.700 0.001 0.000 2.382 115 S HA -0.176 4.295 4.470 0.001 0.000 0.228 115 S C 1.830 176.451 174.600 0.036 0.000 1.027 115 S CA 1.283 59.482 58.200 -0.002 0.000 0.991 115 S CB -0.205 62.976 63.200 -0.032 0.000 0.823 115 S HN 0.298 nan 8.310 nan 0.000 0.469 116 R N 1.007 121.535 120.500 0.047 0.000 2.081 116 R HA -0.101 4.239 4.340 0.001 0.000 0.235 116 R C 2.447 178.813 176.300 0.110 0.000 1.131 116 R CA 1.411 57.577 56.100 0.110 0.000 0.960 116 R CB -0.122 30.230 30.300 0.087 0.000 0.856 116 R HN 0.116 nan 8.270 nan 0.000 0.436 117 R N 0.173 120.704 120.500 0.051 0.000 2.073 117 R HA -0.050 4.290 4.340 0.001 0.000 0.234 117 R C 1.919 178.220 176.300 0.001 0.000 1.134 117 R CA 2.505 58.619 56.100 0.024 0.000 0.952 117 R CB -0.998 29.311 30.300 0.014 0.000 0.850 117 R HN 0.200 nan 8.270 nan 0.000 0.433 118 T N 1.047 115.592 114.554 -0.015 0.000 2.684 118 T HA -0.161 4.189 4.350 0.001 0.000 0.267 118 T C 1.433 176.049 174.700 -0.139 0.000 1.036 118 T CA 1.635 63.669 62.100 -0.109 0.000 1.148 118 T CB -0.541 68.241 68.868 -0.143 0.000 0.863 118 T HN 0.269 nan 8.240 nan 0.000 0.436 119 F N 1.768 121.610 119.950 -0.179 0.000 2.069 119 F HA -0.051 4.477 4.527 0.000 0.000 0.298 119 F C 2.046 177.810 175.800 -0.060 0.000 1.113 119 F CA 0.835 58.752 58.000 -0.137 0.000 1.214 119 F CB -0.711 38.239 39.000 -0.083 0.000 0.978 119 F HN 0.094 nan 8.300 nan 0.000 0.474 120 I N 0.354 120.808 120.570 -0.193 0.000 2.163 120 I HA -0.351 3.819 4.170 0.001 0.000 0.243 120 I C 2.592 178.623 176.117 -0.144 0.000 1.085 120 I CA 1.872 63.024 61.300 -0.247 0.000 1.347 120 I CB -0.636 37.312 38.000 -0.087 0.000 1.044 120 I HN 0.164 nan 8.210 nan 0.000 0.408 121 K N 0.947 121.298 120.400 -0.082 0.000 2.097 121 K HA -0.195 4.125 4.320 0.001 0.000 0.206 121 K C 2.236 178.826 176.600 -0.017 0.000 1.049 121 K CA 1.831 58.102 56.287 -0.028 0.000 0.933 121 K CB -0.054 32.437 32.500 -0.014 0.000 0.717 121 K HN 0.379 nan 8.250 nan 0.000 0.442 122 S N -0.407 115.253 115.700 -0.066 0.000 2.481 122 S HA -0.045 4.425 4.470 0.001 0.000 0.231 122 S C 1.848 176.469 174.600 0.035 0.000 0.996 122 S CA 0.762 58.978 58.200 0.025 0.000 0.942 122 S CB -0.089 63.129 63.200 0.031 0.000 0.768 122 S HN 0.099 nan 8.310 nan 0.000 0.520 123 V N 3.002 122.869 119.914 -0.077 0.000 2.244 123 V HA -0.023 4.098 4.120 0.001 0.000 0.244 123 V C -0.245 175.892 176.094 0.071 0.000 1.042 123 V CA 1.718 64.006 62.300 -0.020 0.000 1.006 123 V CB -1.737 30.048 31.823 -0.063 0.000 0.641 123 V HN 0.364 nan 8.190 nan 0.000 0.446 124 P HA -0.115 nan 4.420 nan 0.000 0.214 124 P C -1.370 175.938 177.300 0.014 0.000 1.163 124 P CA 2.066 65.131 63.100 -0.058 0.000 0.889 124 P CB -1.230 30.443 31.700 -0.045 0.000 0.790 125 P HA -0.180 nan 4.420 nan 0.000 0.215 125 P C 1.507 178.873 177.300 0.110 0.000 1.157 125 P CA 1.130 64.273 63.100 0.073 0.000 0.868 125 P CB -0.503 31.258 31.700 0.102 0.000 0.788 126 F N -0.077 119.912 119.950 0.065 0.000 2.095 126 F HA -0.172 4.355 4.527 0.000 0.000 0.298 126 F C 2.002 177.921 175.800 0.198 0.000 1.104 126 F CA 1.502 59.599 58.000 0.161 0.000 1.232 126 F CB -0.742 38.374 39.000 0.194 0.000 0.987 126 F HN -0.248 nan 8.300 nan 0.000 0.475 127 L N -0.523 120.863 121.223 0.271 0.000 2.056 127 L HA -0.179 4.162 4.340 0.001 0.000 0.207 127 L C 2.638 179.552 176.870 0.074 0.000 1.078 127 L CA 0.866 55.830 54.840 0.206 0.000 0.749 127 L CB -0.664 41.449 42.059 0.090 0.000 0.901 127 L HN 0.008 nan 8.230 nan 0.000 0.433 128 R N -0.305 120.187 120.500 -0.014 0.000 2.075 128 R HA -0.067 4.273 4.340 0.001 0.000 0.232 128 R C 2.237 178.461 176.300 -0.127 0.000 1.126 128 R CA 1.458 57.518 56.100 -0.067 0.000 0.963 128 R CB -1.258 29.001 30.300 -0.068 0.000 0.858 128 R HN 0.294 nan 8.270 nan 0.000 0.435 129 T N 0.122 114.560 114.554 -0.194 0.000 2.833 129 T HA -0.114 4.237 4.350 0.001 0.000 0.269 129 T C 0.869 175.255 174.700 -0.523 0.000 1.054 129 T CA 1.419 63.292 62.100 -0.378 0.000 1.135 129 T CB -0.171 68.386 68.868 -0.519 0.000 0.869 129 T HN 0.487 nan 8.240 nan 0.000 0.466 130 H N -0.860 118.101 119.070 -0.181 0.000 2.542 130 H HA 0.436 4.993 4.556 0.001 0.000 0.283 130 H C 1.476 176.604 175.328 -0.334 0.000 1.059 130 H CA 0.092 56.026 56.048 -0.190 0.000 1.162 130 H CB 0.382 30.074 29.762 -0.118 0.000 1.539 130 H HN 0.363 nan 8.280 nan 0.000 0.543 131 G N 0.372 109.056 108.800 -0.193 0.000 2.147 131 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 131 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 131 G C -0.266 174.424 174.900 -0.349 0.000 1.005 131 G CA -0.249 44.691 45.100 -0.267 0.000 0.713 131 G HN 0.209 nan 8.290 nan 0.000 0.515 132 F N 0.421 120.306 119.950 -0.108 0.000 2.379 132 F HA 0.449 4.976 4.527 0.000 0.000 0.332 132 F C 1.295 177.045 175.800 -0.085 0.000 1.096 132 F CA -0.742 57.198 58.000 -0.100 0.000 1.105 132 F CB 1.024 39.963 39.000 -0.103 0.000 1.189 132 F HN -0.022 nan 8.300 nan 0.000 0.515 133 D N 1.066 121.560 120.400 0.157 0.000 2.339 133 D HA 0.246 4.886 4.640 0.001 0.000 0.217 133 D C 0.783 177.118 176.300 0.058 0.000 1.050 133 D CA 0.516 54.554 54.000 0.065 0.000 0.856 133 D CB 0.676 41.505 40.800 0.049 0.000 0.922 133 D HN 0.668 nan 8.370 nan 0.000 0.518 134 G N 0.345 109.198 108.800 0.088 0.000 2.342 134 G HA2 0.373 4.334 3.960 0.001 0.000 0.297 134 G HA3 0.373 4.334 3.960 0.001 0.000 0.297 134 G C -2.303 172.644 174.900 0.079 0.000 1.313 134 G CA -0.808 44.326 45.100 0.056 0.000 0.830 134 G HN 0.054 nan 8.290 nan 0.000 0.506 135 L N 0.221 121.549 121.223 0.176 0.000 2.365 135 L HA 0.843 5.183 4.340 0.001 0.000 0.273 135 L C -1.292 175.661 176.870 0.139 0.000 1.000 135 L CA -0.626 54.318 54.840 0.173 0.000 0.819 135 L CB 2.201 44.446 42.059 0.310 0.000 1.284 135 L HN 0.614 nan 8.230 nan 0.000 0.418 136 D N 3.735 124.222 120.400 0.145 0.000 2.408 136 D HA 0.392 5.033 4.640 0.001 0.000 0.243 136 D C -1.221 175.231 176.300 0.254 0.000 1.075 136 D CA -0.133 53.967 54.000 0.166 0.000 0.832 136 D CB 1.043 41.980 40.800 0.228 0.000 1.162 136 D HN 0.539 nan 8.370 nan 0.000 0.515 137 L N 3.125 124.484 121.223 0.227 0.000 2.265 137 L HA 0.594 4.934 4.340 0.001 0.000 0.288 137 L C 0.189 177.247 176.870 0.313 0.000 1.058 137 L CA -0.700 54.318 54.840 0.296 0.000 0.809 137 L CB 1.425 43.637 42.059 0.255 0.000 1.179 137 L HN 0.582 nan 8.230 nan 0.000 0.429 138 A N 4.337 127.350 122.820 0.322 0.000 3.165 138 A HA 0.174 4.494 4.320 0.001 0.000 0.331 138 A C -0.943 176.726 177.584 0.141 0.000 1.034 138 A CA -0.443 51.746 52.037 0.255 0.000 0.906 138 A CB -0.032 19.175 19.000 0.345 0.000 1.054 138 A HN 0.713 nan 8.150 nan 0.000 0.484 139 W N 3.644 124.808 121.300 -0.227 0.000 2.433 139 W HA 0.516 5.177 4.660 0.001 0.000 0.331 139 W C -1.331 174.975 176.519 -0.354 0.000 1.110 139 W CA -1.134 55.889 57.345 -0.537 0.000 1.450 139 W CB 0.222 29.086 29.460 -0.994 0.000 1.348 139 W HN 0.371 nan 8.180 nan 0.000 0.415 140 L N 9.120 130.330 121.223 -0.022 0.000 2.335 140 L HA 0.361 4.702 4.340 0.001 0.000 0.268 140 L C -1.146 175.399 176.870 -0.541 0.000 1.037 140 L CA -0.659 53.745 54.840 -0.727 0.000 0.895 140 L CB -0.363 41.158 42.059 -0.897 0.000 1.266 140 L HN 0.214 nan 8.230 nan 0.000 0.439 141 Y N 1.159 121.463 120.300 0.008 0.000 2.625 141 Y HA 0.539 5.089 4.550 0.000 0.000 0.338 141 Y C -2.500 173.036 175.900 -0.607 0.000 1.123 141 Y CA -2.900 55.033 58.100 -0.277 0.000 1.046 141 Y CB 1.163 39.461 38.460 -0.269 0.000 1.299 141 Y HN 0.272 nan 8.280 nan 0.000 0.464 142 P HA 0.152 nan 4.420 nan 0.000 0.269 142 P C 0.019 177.023 177.300 -0.494 0.000 1.217 142 P CA 0.142 62.508 63.100 -1.224 0.000 0.783 142 P CB 0.627 31.424 31.700 -1.506 0.000 0.898 143 G N -0.023 108.624 108.800 -0.255 0.000 2.557 143 G HA2 0.454 4.415 3.960 0.001 0.000 0.302 143 G HA3 0.454 4.415 3.960 0.001 0.000 0.302 143 G C 1.164 175.963 174.900 -0.169 0.000 1.311 143 G CA -0.266 44.744 45.100 -0.149 0.000 1.030 143 G HN 0.416 nan 8.290 nan 0.000 0.509 144 R N -1.468 118.959 120.500 -0.122 0.000 2.152 144 R HA 0.032 4.372 4.340 0.001 0.000 0.232 144 R C 2.625 178.878 176.300 -0.079 0.000 1.117 144 R CA 2.253 58.287 56.100 -0.111 0.000 0.981 144 R CB -1.513 28.738 30.300 -0.083 0.000 0.870 144 R HN 0.811 nan 8.270 nan 0.000 0.451 145 R N 1.170 121.647 120.500 -0.039 0.000 2.236 145 R HA 0.008 4.349 4.340 0.001 0.000 0.208 145 R C 1.416 177.748 176.300 0.053 0.000 1.036 145 R CA 1.288 57.394 56.100 0.010 0.000 1.001 145 R CB -0.479 29.854 30.300 0.054 0.000 0.896 145 R HN 0.628 nan 8.270 nan 0.000 0.464 146 D N -0.828 119.591 120.400 0.031 0.000 2.398 146 D HA 0.048 4.689 4.640 0.001 0.000 0.210 146 D C 1.200 177.470 176.300 -0.050 0.000 1.094 146 D CA 0.042 54.113 54.000 0.117 0.000 0.839 146 D CB 0.490 41.370 40.800 0.135 0.000 0.963 146 D HN 0.493 nan 8.370 nan 0.000 0.506 147 K N 1.013 121.342 120.400 -0.118 0.000 2.034 147 K HA -0.262 4.058 4.320 0.001 0.000 0.214 147 K C 1.764 178.366 176.600 0.003 0.000 1.051 147 K CA 1.541 57.780 56.287 -0.080 0.000 0.931 147 K CB 0.292 32.739 32.500 -0.088 0.000 0.715 147 K HN -0.136 nan 8.250 nan 0.000 0.446 148 Q N -0.448 119.300 119.800 -0.087 0.000 2.079 148 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 148 Q C 2.047 178.046 176.000 -0.002 0.000 0.974 148 Q CA 1.540 57.293 55.803 -0.083 0.000 0.840 148 Q CB -0.257 28.374 28.738 -0.178 0.000 0.898 148 Q HN 0.481 nan 8.270 nan 0.000 0.430 149 H N -1.136 118.010 119.070 0.127 0.000 2.352 149 H HA -0.137 4.420 4.556 0.001 0.000 0.299 149 H C 1.768 177.255 175.328 0.265 0.000 1.097 149 H CA 1.292 57.456 56.048 0.193 0.000 1.311 149 H CB -0.559 29.364 29.762 0.267 0.000 1.377 149 H HN 0.235 nan 8.280 nan 0.000 0.504 150 F N 1.892 121.935 119.950 0.155 0.000 2.095 150 F HA -0.219 4.308 4.527 0.001 0.000 0.298 150 F C 2.355 178.200 175.800 0.075 0.000 1.104 150 F CA 1.643 59.688 58.000 0.075 0.000 1.232 150 F CB -0.611 38.283 39.000 -0.176 0.000 0.987 150 F HN 0.005 nan 8.300 nan 0.000 0.475 151 T N -0.622 113.971 114.554 0.066 0.000 2.708 151 T HA -0.186 4.164 4.350 0.001 0.000 0.266 151 T C 1.921 176.578 174.700 -0.073 0.000 1.037 151 T CA 2.150 64.220 62.100 -0.049 0.000 1.146 151 T CB -0.657 68.224 68.868 0.022 0.000 0.865 151 T HN 0.289 nan 8.240 nan 0.000 0.435 152 T N 2.434 116.994 114.554 0.010 0.000 2.708 152 T HA -0.057 4.293 4.350 0.001 0.000 0.266 152 T C 1.901 176.585 174.700 -0.027 0.000 1.037 152 T CA 0.986 63.087 62.100 0.002 0.000 1.146 152 T CB -0.516 68.405 68.868 0.089 0.000 0.865 152 T HN 0.135 nan 8.240 nan 0.000 0.435 153 L N 1.165 122.414 121.223 0.043 0.000 1.990 153 L HA -0.041 4.299 4.340 0.001 0.000 0.213 153 L C 2.167 178.978 176.870 -0.097 0.000 1.072 153 L CA 1.667 56.538 54.840 0.051 0.000 0.755 153 L CB -0.729 41.453 42.059 0.205 0.000 0.889 153 L HN 0.284 nan 8.230 nan 0.000 0.432 154 I N -0.559 119.877 120.570 -0.224 0.000 2.226 154 I HA -0.303 3.867 4.170 0.001 0.000 0.245 154 I C 2.608 178.527 176.117 -0.331 0.000 1.100 154 I CA 1.596 62.714 61.300 -0.303 0.000 1.374 154 I CB -0.444 37.316 38.000 -0.400 0.000 1.057 154 I HN 0.368 nan 8.210 nan 0.000 0.413 155 K N 1.294 121.457 120.400 -0.395 0.000 2.026 155 K HA -0.214 4.107 4.320 0.001 0.000 0.208 155 K C 1.902 178.255 176.600 -0.413 0.000 1.048 155 K CA 1.718 57.601 56.287 -0.673 0.000 0.929 155 K CB -0.027 32.129 32.500 -0.574 0.000 0.713 155 K HN 0.342 nan 8.250 nan 0.000 0.439 156 E N 0.098 120.148 120.200 -0.251 0.000 2.152 156 E HA -0.174 4.177 4.350 0.001 0.000 0.192 156 E C 1.925 178.405 176.600 -0.199 0.000 0.983 156 E CA 1.006 57.304 56.400 -0.170 0.000 0.818 156 E CB -0.053 29.594 29.700 -0.089 0.000 0.758 156 E HN 0.254 nan 8.360 nan 0.000 0.467 157 M N 1.335 120.772 119.600 -0.271 0.000 2.132 157 M HA -0.142 4.338 4.480 0.001 0.000 0.263 157 M C 1.995 177.890 176.300 -0.675 0.000 1.065 157 M CA 1.587 56.619 55.300 -0.447 0.000 1.122 157 M CB 0.077 32.386 32.600 -0.485 0.000 1.365 157 M HN -0.224 nan 8.290 nan 0.000 0.411 158 K N 0.340 120.439 120.400 -0.502 0.000 2.097 158 K HA 0.060 4.381 4.320 0.001 0.000 0.206 158 K C 1.783 178.295 176.600 -0.146 0.000 1.049 158 K CA 1.714 57.792 56.287 -0.349 0.000 0.933 158 K CB -0.786 31.610 32.500 -0.172 0.000 0.717 158 K HN 0.399 nan 8.250 nan 0.000 0.442 159 A N 0.621 123.357 122.820 -0.141 0.000 1.883 159 A HA -0.197 4.123 4.320 0.001 0.000 0.217 159 A C 2.166 179.753 177.584 0.006 0.000 1.186 159 A CA 2.060 54.066 52.037 -0.052 0.000 0.624 159 A CB -0.808 18.151 19.000 -0.068 0.000 0.822 159 A HN 0.474 nan 8.150 nan 0.000 0.444 160 E N -0.581 119.617 120.200 -0.004 0.000 2.058 160 E HA -0.172 4.178 4.350 0.001 0.000 0.194 160 E C 1.615 178.367 176.600 0.253 0.000 0.997 160 E CA 1.472 57.929 56.400 0.095 0.000 0.801 160 E CB -0.452 29.300 29.700 0.086 0.000 0.746 160 E HN 0.506 nan 8.360 nan 0.000 0.450 161 F N 0.404 120.339 119.950 -0.024 0.000 2.134 161 F HA -0.094 4.433 4.527 0.000 0.000 0.299 161 F C 2.277 178.076 175.800 -0.001 0.000 1.097 161 F CA 0.755 58.749 58.000 -0.011 0.000 1.264 161 F CB -0.842 38.153 39.000 -0.010 0.000 1.001 161 F HN 0.106 nan 8.300 nan 0.000 0.479 162 I N -0.231 120.460 120.570 0.201 0.000 2.252 162 I HA -0.306 3.865 4.170 0.001 0.000 0.245 162 I C 2.561 178.726 176.117 0.080 0.000 1.102 162 I CA 1.332 62.700 61.300 0.113 0.000 1.385 162 I CB -0.454 37.594 38.000 0.079 0.000 1.064 162 I HN 0.080 nan 8.210 nan 0.000 0.414 163 K N 1.076 121.522 120.400 0.077 0.000 2.002 163 K HA -0.261 4.060 4.320 0.001 0.000 0.209 163 K C 2.198 178.826 176.600 0.048 0.000 1.048 163 K CA 1.613 57.933 56.287 0.054 0.000 0.930 163 K CB -0.206 32.323 32.500 0.049 0.000 0.714 163 K HN 0.127 nan 8.250 nan 0.000 0.438 164 E N 0.282 120.517 120.200 0.059 0.000 2.219 164 E HA -0.188 4.163 4.350 0.001 0.000 0.198 164 E C 1.137 177.744 176.600 0.012 0.000 0.998 164 E CA 1.421 57.838 56.400 0.030 0.000 0.818 164 E CB 0.025 29.735 29.700 0.016 0.000 0.741 164 E HN 0.452 nan 8.360 nan 0.000 0.477 165 A N -0.277 122.557 122.820 0.022 0.000 2.348 165 A HA 0.197 4.518 4.320 0.001 0.000 0.224 165 A C 2.110 179.705 177.584 0.017 0.000 1.227 165 A CA 0.888 52.932 52.037 0.012 0.000 0.885 165 A CB -0.221 18.788 19.000 0.014 0.000 0.933 165 A HN 0.330 nan 8.150 nan 0.000 0.506 166 Q N 1.327 121.141 119.800 0.024 0.000 2.156 166 Q HA -0.219 4.122 4.340 0.001 0.000 0.211 166 Q C 0.430 176.438 176.000 0.014 0.000 0.995 166 Q CA 2.204 58.020 55.803 0.021 0.000 0.877 166 Q CB -2.727 26.025 28.738 0.022 0.000 0.920 166 Q HN 0.716 nan 8.270 nan 0.000 0.416 167 P HA 0.006 nan 4.420 nan 0.000 0.219 167 P C 0.880 178.182 177.300 0.004 0.000 1.146 167 P CA 1.967 65.070 63.100 0.006 0.000 0.808 167 P CB -0.040 31.661 31.700 0.003 0.000 0.779 168 G N -1.179 107.623 108.800 0.003 0.000 2.731 168 G HA2 -0.088 3.873 3.960 0.001 0.000 0.219 168 G HA3 -0.088 3.873 3.960 0.001 0.000 0.219 168 G C -0.026 174.872 174.900 -0.002 0.000 0.989 168 G CA -0.608 44.494 45.100 0.002 0.000 0.871 168 G HN 0.273 nan 8.290 nan 0.000 0.591 169 K N 0.208 120.606 120.400 -0.004 0.000 2.117 169 K HA 0.410 4.730 4.320 0.001 0.000 0.240 169 K C 0.327 176.923 176.600 -0.008 0.000 1.031 169 K CA -0.537 55.744 56.287 -0.011 0.000 0.909 169 K CB 1.004 33.492 32.500 -0.020 0.000 1.097 169 K HN 0.088 nan 8.250 nan 0.000 0.492 170 K N 2.302 122.693 120.400 -0.014 0.000 2.292 170 K HA -0.035 4.285 4.320 0.001 0.000 0.290 170 K C -0.241 176.353 176.600 -0.010 0.000 1.083 170 K CA -0.016 56.267 56.287 -0.007 0.000 0.918 170 K CB 0.471 32.962 32.500 -0.014 0.000 1.089 170 K HN 0.375 nan 8.250 nan 0.000 0.473 171 Q N 4.173 123.979 119.800 0.009 0.000 2.310 171 Q HA -0.052 4.288 4.340 0.001 0.000 0.315 171 Q C -0.550 175.452 176.000 0.003 0.000 1.081 171 Q CA 0.082 55.895 55.803 0.018 0.000 0.981 171 Q CB 0.535 29.309 28.738 0.060 0.000 1.184 171 Q HN 0.608 nan 8.270 nan 0.000 0.389 172 L N 4.397 125.574 121.223 -0.077 0.000 2.461 172 L HA 0.088 4.429 4.340 0.001 0.000 0.272 172 L C 0.073 176.981 176.870 0.064 0.000 1.197 172 L CA -0.117 54.618 54.840 -0.174 0.000 0.836 172 L CB 0.216 41.839 42.059 -0.727 0.000 1.105 172 L HN 0.584 nan 8.230 nan 0.000 0.477 173 L N 3.509 124.796 121.223 0.105 0.000 2.375 173 L HA 0.409 4.749 4.340 0.001 0.000 0.271 173 L C -0.453 176.578 176.870 0.269 0.000 1.107 173 L CA -0.513 54.444 54.840 0.196 0.000 0.806 173 L CB 1.401 43.581 42.059 0.202 0.000 1.146 173 L HN 0.379 nan 8.230 nan 0.000 0.447 174 L N 2.645 123.960 121.223 0.154 0.000 2.406 174 L HA 0.555 4.895 4.340 0.001 0.000 0.272 174 L C -0.233 176.510 176.870 -0.211 0.000 0.980 174 L CA 0.182 55.049 54.840 0.045 0.000 0.831 174 L CB 1.699 43.725 42.059 -0.056 0.000 1.253 174 L HN 0.734 nan 8.230 nan 0.000 0.406 175 S N 3.456 118.975 115.700 -0.303 0.000 2.745 175 S HA 1.044 5.515 4.470 0.001 0.000 0.306 175 S C -0.739 173.745 174.600 -0.194 0.000 1.137 175 S CA -0.282 57.590 58.200 -0.547 0.000 0.900 175 S CB 1.912 64.354 63.200 -1.264 0.000 1.176 175 S HN 1.234 nan 8.310 nan 0.000 0.520 176 A N -0.073 122.681 122.820 -0.110 0.000 2.517 176 A HA 0.841 5.161 4.320 0.001 0.000 0.297 176 A C -0.601 177.071 177.584 0.146 0.000 1.050 176 A CA -0.445 51.632 52.037 0.067 0.000 0.694 176 A CB 1.149 20.176 19.000 0.046 0.000 1.277 176 A HN 1.763 nan 8.150 nan 0.000 0.400 177 A N 2.522 125.481 122.820 0.231 0.000 2.252 177 A HA 0.686 5.006 4.320 0.001 0.000 0.309 177 A C -0.440 177.239 177.584 0.157 0.000 1.285 177 A CA -0.186 51.998 52.037 0.247 0.000 0.900 177 A CB -0.171 19.017 19.000 0.312 0.000 1.157 177 A HN 0.818 nan 8.150 nan 0.000 0.536 178 L N 1.835 123.109 121.223 0.085 0.000 2.330 178 L HA 0.507 4.847 4.340 0.001 0.000 0.271 178 L C 0.913 177.875 176.870 0.155 0.000 1.013 178 L CA -0.754 54.096 54.840 0.018 0.000 0.816 178 L CB 1.940 43.809 42.059 -0.315 0.000 1.287 178 L HN 0.701 nan 8.230 nan 0.000 0.435 179 S N 0.714 116.622 115.700 0.346 0.000 2.568 179 S HA 0.276 4.746 4.470 0.001 0.000 0.282 179 S C 0.771 175.435 174.600 0.108 0.000 1.338 179 S CA 0.198 58.498 58.200 0.167 0.000 1.045 179 S CB 1.204 64.320 63.200 -0.142 0.000 0.873 179 S HN 0.718 nan 8.310 nan 0.000 0.516 180 A N 3.578 126.392 122.820 -0.010 0.000 2.348 180 A HA 0.453 4.774 4.320 0.001 0.000 0.224 180 A C 0.987 178.721 177.584 0.251 0.000 1.227 180 A CA 0.204 52.300 52.037 0.098 0.000 0.885 180 A CB -0.444 18.540 19.000 -0.026 0.000 0.933 180 A HN 0.952 nan 8.150 nan 0.000 0.506 181 G N -0.137 108.736 108.800 0.121 0.000 2.355 181 G HA2 0.328 4.288 3.960 0.001 0.000 0.276 181 G HA3 0.328 4.288 3.960 0.001 0.000 0.276 181 G C 0.662 175.619 174.900 0.096 0.000 1.198 181 G CA -0.132 45.060 45.100 0.153 0.000 0.876 181 G HN 0.373 nan 8.290 nan 0.000 0.478 182 K N 2.192 122.654 120.400 0.103 0.000 2.044 182 K HA -0.166 4.154 4.320 0.001 0.000 0.210 182 K C 2.391 178.944 176.600 -0.079 0.000 1.049 182 K CA 1.669 57.937 56.287 -0.031 0.000 0.927 182 K CB -0.139 32.125 32.500 -0.394 0.000 0.713 182 K HN 0.356 nan 8.250 nan 0.000 0.443 183 V N 0.899 120.753 119.914 -0.100 0.000 2.287 183 V HA -0.279 3.842 4.120 0.001 0.000 0.248 183 V C 2.244 178.243 176.094 -0.159 0.000 1.053 183 V CA 2.425 64.656 62.300 -0.115 0.000 1.027 183 V CB -0.744 31.027 31.823 -0.086 0.000 0.646 183 V HN 0.503 nan 8.190 nan 0.000 0.447 184 T N 0.103 114.529 114.554 -0.213 0.000 2.777 184 T HA -0.092 4.259 4.350 0.001 0.000 0.266 184 T C 1.837 176.271 174.700 -0.443 0.000 1.040 184 T CA 1.673 63.543 62.100 -0.382 0.000 1.141 184 T CB -0.277 68.251 68.868 -0.566 0.000 0.868 184 T HN 0.330 nan 8.240 nan 0.000 0.444 185 I N 1.426 121.864 120.570 -0.219 0.000 2.163 185 I HA -0.200 3.970 4.170 0.001 0.000 0.243 185 I C 2.305 178.375 176.117 -0.078 0.000 1.085 185 I CA 1.296 62.557 61.300 -0.065 0.000 1.347 185 I CB -0.370 37.767 38.000 0.229 0.000 1.044 185 I HN 0.152 nan 8.210 nan 0.000 0.408 186 D N 0.270 120.653 120.400 -0.027 0.000 2.178 186 D HA -0.132 4.508 4.640 0.001 0.000 0.202 186 D C 2.331 178.571 176.300 -0.099 0.000 0.974 186 D CA 1.827 55.816 54.000 -0.018 0.000 0.841 186 D CB -0.084 40.714 40.800 -0.003 0.000 0.953 186 D HN 0.389 nan 8.370 nan 0.000 0.478 187 S N -1.050 114.544 115.700 -0.176 0.000 2.486 187 S HA 0.088 4.558 4.470 0.001 0.000 0.220 187 S C 1.909 176.346 174.600 -0.270 0.000 1.011 187 S CA 0.259 58.345 58.200 -0.190 0.000 0.921 187 S CB 0.395 63.487 63.200 -0.179 0.000 0.785 187 S HN -0.018 nan 8.310 nan 0.000 0.517 188 S N -0.035 115.391 115.700 -0.456 0.000 2.499 188 S HA 0.382 4.852 4.470 0.001 0.000 0.225 188 S C -0.533 173.800 174.600 -0.444 0.000 1.050 188 S CA -0.187 57.637 58.200 -0.627 0.000 0.928 188 S CB -0.088 62.472 63.200 -1.066 0.000 0.803 188 S HN 0.587 nan 8.310 nan 0.000 0.506 189 Y N 1.534 121.767 120.300 -0.112 0.000 2.446 189 Y HA 0.584 5.134 4.550 0.000 0.000 0.338 189 Y C -0.134 175.765 175.900 -0.001 0.000 1.055 189 Y CA -2.365 55.730 58.100 -0.009 0.000 1.101 189 Y CB 0.489 38.961 38.460 0.019 0.000 1.221 189 Y HN -0.089 nan 8.280 nan 0.000 0.460 190 D N 3.243 123.769 120.400 0.210 0.000 2.590 190 D HA 0.187 4.827 4.640 0.001 0.000 0.280 190 D C 1.057 177.399 176.300 0.071 0.000 1.197 190 D CA -0.031 54.024 54.000 0.092 0.000 0.967 190 D CB 0.233 41.071 40.800 0.064 0.000 0.987 190 D HN 0.428 nan 8.370 nan 0.000 0.508 191 I N 1.653 122.256 120.570 0.056 0.000 2.113 191 I HA -0.354 3.816 4.170 0.001 0.000 0.242 191 I C 2.377 178.479 176.117 -0.025 0.000 1.057 191 I CA 1.368 62.669 61.300 0.002 0.000 1.314 191 I CB -1.453 36.521 38.000 -0.043 0.000 1.022 191 I HN 0.318 nan 8.210 nan 0.000 0.408 192 A N 0.260 123.060 122.820 -0.033 0.000 1.883 192 A HA -0.269 4.051 4.320 0.001 0.000 0.217 192 A C 2.362 179.920 177.584 -0.042 0.000 1.186 192 A CA 2.241 54.253 52.037 -0.042 0.000 0.624 192 A CB -0.533 18.444 19.000 -0.039 0.000 0.822 192 A HN 0.276 nan 8.150 nan 0.000 0.444 193 K N 0.124 120.513 120.400 -0.018 0.000 2.001 193 K HA -0.052 4.269 4.320 0.001 0.000 0.208 193 K C 1.843 178.445 176.600 0.002 0.000 1.048 193 K CA 1.650 57.935 56.287 -0.005 0.000 0.932 193 K CB -0.559 31.961 32.500 0.032 0.000 0.715 193 K HN 0.721 nan 8.250 nan 0.000 0.437 194 I N -2.168 118.408 120.570 0.009 0.000 2.493 194 I HA -0.123 4.047 4.170 0.001 0.000 0.254 194 I C 1.528 177.616 176.117 -0.049 0.000 1.160 194 I CA 1.201 62.498 61.300 -0.005 0.000 1.445 194 I CB -0.282 37.666 38.000 -0.086 0.000 1.086 194 I HN -0.118 nan 8.210 nan 0.000 0.433 195 S N 1.111 116.772 115.700 -0.064 0.000 2.419 195 S HA -0.187 4.284 4.470 0.001 0.000 0.235 195 S C 1.953 176.492 174.600 -0.102 0.000 1.019 195 S CA 1.569 59.728 58.200 -0.068 0.000 0.982 195 S CB -0.315 62.852 63.200 -0.056 0.000 0.789 195 S HN 0.625 nan 8.310 nan 0.000 0.490 196 Q N -0.060 119.626 119.800 -0.190 0.000 2.119 196 Q HA -0.084 4.257 4.340 0.001 0.000 0.201 196 Q C 1.722 177.522 176.000 -0.334 0.000 0.972 196 Q CA 1.104 56.726 55.803 -0.302 0.000 0.847 196 Q CB -0.177 28.279 28.738 -0.470 0.000 0.903 196 Q HN 0.658 nan 8.270 nan 0.000 0.433 197 H N -0.388 118.642 119.070 -0.066 0.000 2.525 197 H HA 0.146 4.702 4.556 0.001 0.000 0.275 197 H C 0.584 175.856 175.328 -0.092 0.000 0.984 197 H CA 0.340 56.338 56.048 -0.082 0.000 1.264 197 H CB 0.248 29.941 29.762 -0.114 0.000 1.432 197 H HN 0.140 nan 8.280 nan 0.000 0.549 198 L N 1.554 122.772 121.223 -0.008 0.000 2.395 198 L HA 0.047 4.387 4.340 0.001 0.000 0.269 198 L C 1.242 178.097 176.870 -0.025 0.000 1.133 198 L CA -0.260 54.547 54.840 -0.056 0.000 0.812 198 L CB 1.036 43.040 42.059 -0.091 0.000 1.125 198 L HN 0.012 nan 8.230 nan 0.000 0.452 199 D N 1.793 122.170 120.400 -0.039 0.000 2.234 199 D HA 0.032 4.672 4.640 0.001 0.000 0.205 199 D C -0.249 176.171 176.300 0.199 0.000 0.962 199 D CA 1.237 55.280 54.000 0.072 0.000 0.855 199 D CB 0.402 41.269 40.800 0.112 0.000 0.951 199 D HN 0.349 nan 8.370 nan 0.000 0.500 200 F N -1.151 118.811 119.950 0.021 0.000 2.746 200 F HA 0.441 4.968 4.527 0.001 0.000 0.311 200 F C -2.009 173.803 175.800 0.019 0.000 1.135 200 F CA -1.344 56.661 58.000 0.008 0.000 0.954 200 F CB 0.598 39.587 39.000 -0.017 0.000 1.276 200 F HN -0.375 nan 8.300 nan 0.000 0.440 201 I N 2.356 123.104 120.570 0.296 0.000 2.433 201 I HA 0.447 4.617 4.170 0.001 0.000 0.292 201 I C -0.518 175.769 176.117 0.282 0.000 1.001 201 I CA -0.835 60.577 61.300 0.187 0.000 1.119 201 I CB 2.153 40.197 38.000 0.074 0.000 1.289 201 I HN 0.653 nan 8.210 nan 0.000 0.438 202 S N 6.835 122.709 115.700 0.290 0.000 2.422 202 S HA 0.454 4.925 4.470 0.001 0.000 0.308 202 S C -0.276 174.439 174.600 0.190 0.000 1.097 202 S CA -0.426 57.953 58.200 0.297 0.000 1.099 202 S CB 0.793 64.253 63.200 0.433 0.000 0.976 202 S HN 0.448 nan 8.310 nan 0.000 0.471 203 I N 4.369 125.024 120.570 0.141 0.000 2.325 203 I HA 0.292 4.463 4.170 0.001 0.000 0.291 203 I C -0.076 176.046 176.117 0.008 0.000 1.019 203 I CA -0.772 60.573 61.300 0.076 0.000 1.302 203 I CB 0.637 38.687 38.000 0.084 0.000 1.401 203 I HN 0.618 nan 8.210 nan 0.000 0.485 204 M N 7.402 126.925 119.600 -0.128 0.000 3.436 204 M HA 0.103 4.583 4.480 0.001 0.000 0.240 204 M C 0.414 176.225 176.300 -0.814 0.000 1.469 204 M CA -0.163 54.807 55.300 -0.550 0.000 1.622 204 M CB -0.768 31.496 32.600 -0.560 0.000 1.098 204 M HN 0.562 nan 8.290 nan 0.000 0.568 205 T N 0.271 114.556 114.554 -0.448 0.000 4.475 205 T HA 0.291 4.641 4.350 0.001 0.000 0.254 205 T C -0.503 174.049 174.700 -0.247 0.000 1.160 205 T CA -0.227 61.721 62.100 -0.254 0.000 1.091 205 T CB -1.149 67.799 68.868 0.133 0.000 1.377 205 T HN 0.570 nan 8.240 nan 0.000 1.057 206 Y N -2.786 117.231 120.300 -0.471 0.000 2.914 206 Y HA 0.527 5.077 4.550 0.001 0.000 0.327 206 Y C -0.354 175.379 175.900 -0.279 0.000 1.440 206 Y CA -1.819 56.121 58.100 -0.267 0.000 1.086 206 Y CB -0.092 38.347 38.460 -0.035 0.000 1.544 206 Y HN 0.117 nan 8.280 nan 0.000 0.442 207 D N -0.300 120.419 120.400 0.531 0.000 2.837 207 D HA -0.195 4.445 4.640 0.001 0.000 0.230 207 D C 0.151 176.559 176.300 0.180 0.000 1.152 207 D CA 1.097 55.291 54.000 0.324 0.000 0.736 207 D CB -1.171 39.739 40.800 0.184 0.000 1.084 207 D HN 0.535 nan 8.370 nan 0.000 0.429 208 F N -0.582 119.554 119.950 0.309 0.000 2.710 208 F HA 0.062 4.589 4.527 0.000 0.000 0.298 208 F C 1.338 177.304 175.800 0.276 0.000 1.137 208 F CA 0.533 58.677 58.000 0.239 0.000 1.444 208 F CB 0.182 39.294 39.000 0.187 0.000 1.111 208 F HN 0.096 nan 8.300 nan 0.000 0.580 209 H N -0.648 118.632 119.070 0.349 0.000 2.917 209 H HA 0.492 5.048 4.556 0.001 0.000 0.279 209 H C 0.310 175.728 175.328 0.151 0.000 1.211 209 H CA -0.598 55.558 56.048 0.181 0.000 1.534 209 H CB 0.206 30.077 29.762 0.181 0.000 1.581 209 H HN 0.083 nan 8.280 nan 0.000 0.510 210 G N 1.380 110.100 108.800 -0.134 0.000 2.569 210 G HA2 0.354 4.314 3.960 0.001 0.000 0.249 210 G HA3 0.354 4.314 3.960 0.001 0.000 0.249 210 G C 0.985 175.764 174.900 -0.202 0.000 1.216 210 G CA -0.060 45.008 45.100 -0.053 0.000 0.845 210 G HN 0.753 nan 8.290 nan 0.000 0.568 211 A N 1.074 123.990 122.820 0.160 0.000 2.070 211 A HA -0.047 4.274 4.320 0.001 0.000 0.220 211 A C 1.946 179.537 177.584 0.011 0.000 1.159 211 A CA 1.688 53.870 52.037 0.242 0.000 0.656 211 A CB -0.673 18.487 19.000 0.267 0.000 0.800 211 A HN 0.954 nan 8.150 nan 0.000 0.453 212 W N 0.731 122.050 121.300 0.032 0.000 2.350 212 W HA -0.193 4.468 4.660 0.002 0.000 0.289 212 W C 1.389 177.871 176.519 -0.063 0.000 1.215 212 W CA 0.953 58.292 57.345 -0.010 0.000 1.236 212 W CB -0.827 28.630 29.460 -0.006 0.000 1.130 212 W HN 0.298 nan 8.180 nan 0.000 0.541 213 R N 1.286 121.144 120.500 -1.070 0.000 2.303 213 R HA -0.032 4.308 4.340 0.001 0.000 0.225 213 R C 2.126 178.155 176.300 -0.452 0.000 1.114 213 R CA 1.318 56.779 56.100 -1.065 0.000 1.007 213 R CB -1.003 28.391 30.300 -1.510 0.000 0.861 213 R HN 0.457 nan 8.270 nan 0.000 0.471 214 G N 1.070 109.689 108.800 -0.303 0.000 2.168 214 G HA2 -0.330 3.631 3.960 0.001 0.000 0.263 214 G HA3 -0.330 3.631 3.960 0.001 0.000 0.263 214 G C 0.293 175.043 174.900 -0.250 0.000 0.977 214 G CA 0.925 45.910 45.100 -0.191 0.000 0.659 214 G HN 0.543 nan 8.290 nan 0.000 0.533 215 T N -2.560 111.781 114.554 -0.355 0.000 2.864 215 T HA 0.715 5.065 4.350 0.001 0.000 0.299 215 T C 0.039 174.326 174.700 -0.690 0.000 1.166 215 T CA 0.356 62.211 62.100 -0.408 0.000 1.007 215 T CB 1.716 70.410 68.868 -0.290 0.000 1.219 215 T HN 1.252 nan 8.240 nan 0.000 0.506 216 T N -1.065 112.925 114.554 -0.940 0.000 2.913 216 T HA 0.637 4.987 4.350 0.001 0.000 0.297 216 T C 0.478 174.439 174.700 -1.231 0.000 1.029 216 T CA -0.214 60.934 62.100 -1.586 0.000 1.104 216 T CB 0.530 68.175 68.868 -2.038 0.000 0.964 216 T HN 1.440 nan 8.240 nan 0.000 0.532 217 G N 0.747 108.810 108.800 -1.227 0.000 2.733 217 G HA2 0.371 4.331 3.960 0.001 0.000 0.297 217 G HA3 0.371 4.331 3.960 0.001 0.000 0.297 217 G C -1.517 173.308 174.900 -0.125 0.000 1.452 217 G CA -0.839 43.609 45.100 -1.086 0.000 0.940 217 G HN 0.971 nan 8.290 nan 0.000 0.547 218 H N 0.699 119.809 119.070 0.066 0.000 2.722 218 H HA 0.127 4.683 4.556 0.000 0.000 0.328 218 H C 1.405 176.901 175.328 0.281 0.000 1.067 218 H CA 0.452 56.680 56.048 0.299 0.000 1.447 218 H CB 1.146 31.024 29.762 0.193 0.000 1.469 218 H HN 0.831 nan 8.280 nan 0.000 0.544 219 H N 1.465 120.667 119.070 0.220 0.000 2.556 219 H HA 0.122 4.678 4.556 0.000 0.000 0.268 219 H C 0.204 175.802 175.328 0.449 0.000 0.996 219 H CA 0.450 56.698 56.048 0.333 0.000 1.157 219 H CB 0.572 30.453 29.762 0.197 0.000 1.355 219 H HN 0.245 nan 8.280 nan 0.000 0.597 220 S N 1.577 117.352 115.700 0.125 0.000 2.539 220 S HA 0.234 4.704 4.470 0.001 0.000 0.185 220 S C -2.922 171.752 174.600 0.124 0.000 1.181 220 S CA -1.155 57.121 58.200 0.127 0.000 1.216 220 S CB 0.160 63.196 63.200 -0.273 0.000 1.476 220 S HN 0.268 nan 8.310 nan 0.000 0.395 221 P HA 0.171 nan 4.420 nan 0.000 0.275 221 P C 0.854 178.032 177.300 -0.204 0.000 1.228 221 P CA -0.560 62.436 63.100 -0.174 0.000 0.786 221 P CB 1.105 32.735 31.700 -0.117 0.000 0.927 222 L N 2.494 123.535 121.223 -0.304 0.000 2.068 222 L HA 0.199 4.540 4.340 0.001 0.000 0.204 222 L C 0.421 176.833 176.870 -0.763 0.000 1.076 222 L CA 1.766 56.265 54.840 -0.568 0.000 0.753 222 L CB -0.644 41.033 42.059 -0.638 0.000 0.910 222 L HN 0.231 nan 8.230 nan 0.000 0.439 223 F N -1.922 117.913 119.950 -0.191 0.000 2.618 223 F HA 0.427 4.954 4.527 0.000 0.000 0.332 223 F C 1.601 177.322 175.800 -0.132 0.000 1.061 223 F CA -0.746 57.166 58.000 -0.146 0.000 0.974 223 F CB 0.794 39.733 39.000 -0.103 0.000 1.310 223 F HN -0.293 nan 8.300 nan 0.000 0.491 224 R N 0.824 121.386 120.500 0.103 0.000 2.081 224 R HA 0.150 4.490 4.340 0.001 0.000 0.235 224 R C 0.896 177.190 176.300 -0.009 0.000 1.131 224 R CA 1.443 57.537 56.100 -0.011 0.000 0.960 224 R CB -0.554 29.724 30.300 -0.037 0.000 0.856 224 R HN 1.027 nan 8.270 nan 0.000 0.436 225 G N 0.084 108.896 108.800 0.021 0.000 2.593 225 G HA2 -0.377 3.583 3.960 0.001 0.000 0.237 225 G HA3 -0.377 3.583 3.960 0.001 0.000 0.237 225 G C -0.947 173.935 174.900 -0.030 0.000 1.312 225 G CA 0.116 45.214 45.100 -0.004 0.000 0.896 225 G HN 0.570 nan 8.290 nan 0.000 0.574 226 Q N 0.322 120.105 119.800 -0.029 0.000 2.520 226 Q HA -0.002 4.338 4.340 0.001 0.000 0.320 226 Q C 1.560 177.530 176.000 -0.050 0.000 1.104 226 Q CA 1.048 56.829 55.803 -0.036 0.000 1.062 226 Q CB 0.189 28.909 28.738 -0.029 0.000 1.005 226 Q HN 0.607 nan 8.270 nan 0.000 0.390 227 E N 3.477 123.645 120.200 -0.053 0.000 2.209 227 E HA -0.264 4.086 4.350 0.001 0.000 0.196 227 E C 0.399 176.957 176.600 -0.069 0.000 0.993 227 E CA 1.351 57.711 56.400 -0.066 0.000 0.819 227 E CB 0.350 30.013 29.700 -0.062 0.000 0.745 227 E HN 0.726 nan 8.360 nan 0.000 0.477 228 D N -0.342 120.023 120.400 -0.058 0.000 2.149 228 D HA -0.045 4.595 4.640 0.001 0.000 0.201 228 D C 1.262 177.523 176.300 -0.064 0.000 0.972 228 D CA 1.318 55.283 54.000 -0.057 0.000 0.835 228 D CB -0.032 40.740 40.800 -0.046 0.000 0.966 228 D HN 0.209 nan 8.370 nan 0.000 0.476 229 A N 0.041 122.822 122.820 -0.065 0.000 2.337 229 A HA 0.192 4.513 4.320 0.001 0.000 0.227 229 A C 0.606 178.138 177.584 -0.087 0.000 1.259 229 A CA -0.036 51.956 52.037 -0.075 0.000 0.870 229 A CB -0.170 18.789 19.000 -0.068 0.000 0.927 229 A HN 0.154 nan 8.150 nan 0.000 0.497 230 S N -0.441 115.206 115.700 -0.088 0.000 2.442 230 S HA 0.516 4.987 4.470 0.001 0.000 0.297 230 S C -1.896 172.647 174.600 -0.095 0.000 1.131 230 S CA -1.103 57.039 58.200 -0.096 0.000 1.092 230 S CB 1.359 64.490 63.200 -0.115 0.000 0.998 230 S HN 0.073 nan 8.310 nan 0.000 0.478 231 P HA 0.146 nan 4.420 nan 0.000 0.223 231 P C -0.335 176.915 177.300 -0.084 0.000 1.151 231 P CA 1.131 64.193 63.100 -0.063 0.000 0.787 231 P CB 0.047 31.726 31.700 -0.035 0.000 0.788 232 D N -2.459 117.868 120.400 -0.121 0.000 2.769 232 D HA 0.094 4.735 4.640 0.001 0.000 0.219 232 D C 0.712 176.811 176.300 -0.336 0.000 1.245 232 D CA -0.731 53.142 54.000 -0.211 0.000 0.801 232 D CB 1.086 41.822 40.800 -0.106 0.000 1.598 232 D HN -0.227 nan 8.370 nan 0.000 0.485 233 R N 1.698 121.840 120.500 -0.597 0.000 2.189 233 R HA 0.075 4.415 4.340 0.001 0.000 0.218 233 R C 0.806 176.680 176.300 -0.710 0.000 1.074 233 R CA 0.895 56.608 56.100 -0.645 0.000 0.991 233 R CB -0.355 29.503 30.300 -0.737 0.000 0.883 233 R HN 0.272 nan 8.270 nan 0.000 0.457 234 F N 1.326 120.973 119.950 -0.505 0.000 2.664 234 F HA 0.203 4.730 4.527 0.001 0.000 0.296 234 F C 0.933 176.505 175.800 -0.380 0.000 1.125 234 F CA -0.126 57.432 58.000 -0.736 0.000 1.444 234 F CB 0.049 38.619 39.000 -0.715 0.000 1.114 234 F HN -0.181 nan 8.300 nan 0.000 0.576 235 S N 1.726 117.302 115.700 -0.207 0.000 3.811 235 S HA 0.164 4.634 4.470 0.001 0.000 0.205 235 S C -0.220 173.786 174.600 -0.989 0.000 1.445 235 S CA -0.340 57.605 58.200 -0.425 0.000 1.097 235 S CB -1.616 61.552 63.200 -0.053 0.000 1.350 235 S HN 0.566 nan 8.310 nan 0.000 0.471 236 N N -2.438 115.543 118.700 -1.199 0.000 2.710 236 N HA 0.296 5.037 4.740 0.001 0.000 0.257 236 N C 0.418 175.584 175.510 -0.574 0.000 1.327 236 N CA -0.870 51.635 53.050 -0.908 0.000 0.861 236 N CB 0.216 38.490 38.487 -0.355 0.000 1.532 236 N HN -0.192 nan 8.380 nan 0.000 0.499 237 T N -0.567 113.855 114.554 -0.220 0.000 2.635 237 T HA -0.237 4.113 4.350 0.001 0.000 0.267 237 T C 1.013 175.651 174.700 -0.103 0.000 1.040 237 T CA 2.159 64.253 62.100 -0.011 0.000 1.156 237 T CB -0.675 68.117 68.868 -0.127 0.000 0.863 237 T HN 0.810 nan 8.240 nan 0.000 0.430 238 D N -0.110 120.105 120.400 -0.309 0.000 2.116 238 D HA -0.196 4.445 4.640 0.001 0.000 0.193 238 D C 1.888 178.242 176.300 0.091 0.000 0.998 238 D CA 1.329 55.231 54.000 -0.164 0.000 0.836 238 D CB -0.393 40.312 40.800 -0.157 0.000 0.951 238 D HN 0.506 nan 8.370 nan 0.000 0.449 239 Y N 0.547 120.858 120.300 0.019 0.000 2.181 239 Y HA -0.131 4.419 4.550 0.000 0.000 0.288 239 Y C 2.235 178.231 175.900 0.161 0.000 1.146 239 Y CA 2.058 60.215 58.100 0.095 0.000 1.164 239 Y CB -0.691 37.808 38.460 0.064 0.000 0.982 239 Y HN 0.070 nan 8.280 nan 0.000 0.515 240 A N -0.609 122.319 122.820 0.181 0.000 1.877 240 A HA -0.160 4.161 4.320 0.001 0.000 0.216 240 A C 2.341 180.001 177.584 0.127 0.000 1.186 240 A CA 2.076 54.244 52.037 0.219 0.000 0.620 240 A CB -1.346 17.882 19.000 0.380 0.000 0.822 240 A HN 0.340 nan 8.150 nan 0.000 0.443 241 V N -0.062 119.931 119.914 0.132 0.000 2.261 241 V HA -0.192 3.928 4.120 0.001 0.000 0.246 241 V C 2.863 179.002 176.094 0.074 0.000 1.047 241 V CA 2.087 64.467 62.300 0.134 0.000 1.015 241 V CB -1.561 30.405 31.823 0.239 0.000 0.642 241 V HN 0.609 nan 8.190 nan 0.000 0.446 242 G N -1.564 107.270 108.800 0.056 0.000 2.446 242 G HA2 -0.353 3.607 3.960 0.001 0.000 0.217 242 G HA3 -0.353 3.607 3.960 0.001 0.000 0.217 242 G C 1.574 176.458 174.900 -0.027 0.000 1.168 242 G CA 1.281 46.388 45.100 0.012 0.000 0.771 242 G HN 0.507 nan 8.290 nan 0.000 0.551 243 Y N 0.640 120.747 120.300 -0.321 0.000 2.128 243 Y HA -0.081 4.469 4.550 0.001 0.000 0.284 243 Y C 2.866 178.696 175.900 -0.117 0.000 1.154 243 Y CA 1.963 59.882 58.100 -0.303 0.000 1.149 243 Y CB -0.370 37.803 38.460 -0.478 0.000 0.976 243 Y HN 0.211 nan 8.280 nan 0.000 0.505 244 M N -0.922 118.634 119.600 -0.073 0.000 2.117 244 M HA -0.219 4.261 4.480 0.001 0.000 0.262 244 M C 2.084 178.318 176.300 -0.111 0.000 1.065 244 M CA 1.613 56.840 55.300 -0.122 0.000 1.114 244 M CB -0.279 32.316 32.600 -0.009 0.000 1.361 244 M HN 0.339 nan 8.290 nan 0.000 0.408 245 L N -0.159 121.030 121.223 -0.056 0.000 1.989 245 L HA -0.258 4.082 4.340 0.001 0.000 0.211 245 L C 2.587 179.419 176.870 -0.065 0.000 1.071 245 L CA 1.903 56.718 54.840 -0.042 0.000 0.749 245 L CB -0.904 41.146 42.059 -0.016 0.000 0.890 245 L HN 0.411 nan 8.230 nan 0.000 0.431 246 R N 0.495 120.949 120.500 -0.077 0.000 2.237 246 R HA -0.100 4.240 4.340 0.001 0.000 0.219 246 R C 1.833 178.058 176.300 -0.126 0.000 1.080 246 R CA 1.025 57.081 56.100 -0.073 0.000 0.995 246 R CB -0.383 29.900 30.300 -0.027 0.000 0.875 246 R HN 0.377 nan 8.270 nan 0.000 0.462 247 L N 0.261 121.355 121.223 -0.216 0.000 2.554 247 L HA 0.196 4.537 4.340 0.001 0.000 0.226 247 L C 0.918 177.711 176.870 -0.129 0.000 1.137 247 L CA 0.833 55.534 54.840 -0.232 0.000 0.863 247 L CB 0.170 42.008 42.059 -0.368 0.000 0.985 247 L HN 0.727 nan 8.230 nan 0.000 0.451 248 G N -0.413 108.328 108.800 -0.098 0.000 2.159 248 G HA2 -0.145 3.816 3.960 0.001 0.000 0.170 248 G HA3 -0.145 3.816 3.960 0.001 0.000 0.170 248 G C 0.207 175.075 174.900 -0.055 0.000 1.007 248 G CA -0.193 44.868 45.100 -0.066 0.000 0.672 248 G HN 0.361 nan 8.290 nan 0.000 0.507 249 A N 0.986 123.773 122.820 -0.054 0.000 2.309 249 A HA 0.736 5.056 4.320 0.001 0.000 0.290 249 A C -1.879 175.694 177.584 -0.019 0.000 1.206 249 A CA -1.179 50.838 52.037 -0.034 0.000 0.850 249 A CB 0.370 19.354 19.000 -0.026 0.000 1.118 249 A HN 0.106 nan 8.150 nan 0.000 0.523 250 P HA 0.178 nan 4.420 nan 0.000 0.268 250 P C 0.925 178.231 177.300 0.010 0.000 1.204 250 P CA 0.403 63.500 63.100 -0.005 0.000 0.768 250 P CB 1.089 32.786 31.700 -0.005 0.000 0.842 251 A N 3.312 126.137 122.820 0.009 0.000 1.978 251 A HA -0.203 4.117 4.320 0.001 0.000 0.220 251 A C 2.039 179.643 177.584 0.033 0.000 1.170 251 A CA 2.251 54.299 52.037 0.019 0.000 0.636 251 A CB -1.545 17.461 19.000 0.010 0.000 0.810 251 A HN 0.599 nan 8.150 nan 0.000 0.448 252 S N -1.084 114.632 115.700 0.026 0.000 2.507 252 S HA -0.006 4.465 4.470 0.001 0.000 0.235 252 S C 1.358 175.986 174.600 0.047 0.000 0.988 252 S CA 1.287 59.505 58.200 0.030 0.000 0.944 252 S CB -0.116 63.093 63.200 0.015 0.000 0.762 252 S HN 0.615 nan 8.310 nan 0.000 0.526 253 K N -0.195 120.239 120.400 0.057 0.000 2.374 253 K HA 0.357 4.677 4.320 0.001 0.000 0.202 253 K C -0.670 175.999 176.600 0.116 0.000 1.040 253 K CA -0.258 56.086 56.287 0.095 0.000 1.085 253 K CB 0.438 32.984 32.500 0.077 0.000 0.873 253 K HN 0.255 nan 8.250 nan 0.000 0.539 254 L N 1.772 123.045 121.223 0.083 0.000 2.264 254 L HA 0.280 4.621 4.340 0.001 0.000 0.289 254 L C -0.928 175.994 176.870 0.086 0.000 1.044 254 L CA -0.525 54.369 54.840 0.090 0.000 0.807 254 L CB 1.435 43.534 42.059 0.066 0.000 1.192 254 L HN -0.263 nan 8.230 nan 0.000 0.425 255 V N 6.196 126.174 119.914 0.106 0.000 2.417 255 V HA 0.412 4.532 4.120 0.001 0.000 0.291 255 V C 0.201 176.365 176.094 0.117 0.000 1.024 255 V CA -0.574 61.771 62.300 0.075 0.000 0.861 255 V CB 1.513 33.348 31.823 0.020 0.000 0.985 255 V HN 0.820 nan 8.190 nan 0.000 0.436 256 M N 3.866 123.531 119.600 0.109 0.000 2.120 256 M HA 0.521 5.001 4.480 0.001 0.000 0.354 256 M C 0.688 177.085 176.300 0.163 0.000 1.287 256 M CA -0.160 55.219 55.300 0.132 0.000 1.103 256 M CB 0.673 33.352 32.600 0.132 0.000 1.623 256 M HN 0.852 nan 8.290 nan 0.000 0.471 257 G N 6.145 115.063 108.800 0.195 0.000 2.406 257 G HA2 0.507 4.467 3.960 0.001 0.000 0.251 257 G HA3 0.507 4.467 3.960 0.001 0.000 0.251 257 G C -0.749 174.346 174.900 0.326 0.000 1.271 257 G CA -0.488 44.799 45.100 0.312 0.000 0.859 257 G HN 0.796 nan 8.290 nan 0.000 0.540 258 I N 4.191 124.956 120.570 0.325 0.000 2.499 258 I HA 0.311 4.481 4.170 0.001 0.000 0.288 258 I C -2.240 173.979 176.117 0.170 0.000 1.048 258 I CA -2.260 59.165 61.300 0.208 0.000 1.062 258 I CB 3.335 41.403 38.000 0.113 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 0.149 177.407 177.300 -0.070 0.000 1.253 259 P CA -0.281 62.713 63.100 -0.177 0.000 0.800 259 P CB 1.440 32.744 31.700 -0.660 0.000 0.961 260 T N -0.608 114.004 114.554 0.096 0.000 3.176 260 T HA 0.377 4.727 4.350 0.001 0.000 0.263 260 T C 0.225 175.062 174.700 0.228 0.000 1.021 260 T CA -0.376 61.791 62.100 0.111 0.000 0.905 260 T CB -1.028 67.927 68.868 0.144 0.000 1.057 260 T HN 0.386 nan 8.240 nan 0.000 0.558 261 F N -0.920 119.093 119.950 0.105 0.000 2.603 261 F HA 0.921 5.449 4.527 0.001 0.000 0.317 261 F C -0.087 175.788 175.800 0.125 0.000 1.066 261 F CA -1.793 56.246 58.000 0.066 0.000 0.941 261 F CB 1.008 40.010 39.000 0.002 0.000 1.291 261 F HN 0.072 nan 8.300 nan 0.000 0.472 262 G N 0.798 109.663 108.800 0.108 0.000 2.511 262 G HA2 0.639 4.599 3.960 0.001 0.000 0.318 262 G HA3 0.639 4.599 3.960 0.001 0.000 0.318 262 G C -1.431 173.386 174.900 -0.137 0.000 1.210 262 G CA -1.251 43.856 45.100 0.012 0.000 0.969 262 G HN 0.571 nan 8.290 nan 0.000 0.484 263 R N 0.385 120.715 120.500 -0.284 0.000 2.387 263 R HA 0.509 4.849 4.340 0.001 0.000 0.314 263 R C -0.020 176.028 176.300 -0.421 0.000 0.958 263 R CA -0.476 55.405 56.100 -0.365 0.000 0.846 263 R CB 1.380 31.441 30.300 -0.398 0.000 1.147 263 R HN 0.712 nan 8.270 nan 0.000 0.447 264 S N 2.183 117.576 115.700 -0.512 0.000 2.638 264 S HA 0.819 5.290 4.470 0.001 0.000 0.298 264 S C -0.471 173.682 174.600 -0.746 0.000 1.111 264 S CA -0.572 57.352 58.200 -0.460 0.000 1.027 264 S CB 1.332 64.378 63.200 -0.256 0.000 1.064 264 S HN 0.335 nan 8.310 nan 0.000 0.525 265 F N -0.729 119.299 119.950 0.130 0.000 2.626 265 F HA 0.510 5.037 4.527 -0.000 0.000 0.311 265 F C 0.141 175.993 175.800 0.087 0.000 1.088 265 F CA -0.823 57.216 58.000 0.064 0.000 0.949 265 F CB 2.082 41.066 39.000 -0.026 0.000 1.322 265 F HN 0.486 nan 8.300 nan 0.000 0.461 266 T N 3.451 118.150 114.554 0.243 0.000 2.749 266 T HA 0.527 4.877 4.350 0.001 0.000 0.287 266 T C -0.056 174.726 174.700 0.137 0.000 0.970 266 T CA -0.517 61.686 62.100 0.172 0.000 0.980 266 T CB 0.290 69.228 68.868 0.117 0.000 0.924 266 T HN 0.297 nan 8.240 nan 0.000 0.456 267 L N 2.237 123.544 121.223 0.139 0.000 2.439 267 L HA 0.372 4.712 4.340 0.001 0.000 0.269 267 L C 1.357 178.255 176.870 0.047 0.000 1.179 267 L CA -0.431 54.452 54.840 0.072 0.000 0.828 267 L CB 0.399 42.527 42.059 0.115 0.000 1.106 267 L HN 0.749 nan 8.230 nan 0.000 0.467 268 A N 1.332 124.156 122.820 0.006 0.000 2.390 268 A HA 0.303 4.624 4.320 0.001 0.000 0.232 268 A C 0.697 178.286 177.584 0.009 0.000 1.233 268 A CA 0.583 52.624 52.037 0.007 0.000 0.907 268 A CB 0.055 19.047 19.000 -0.013 0.000 0.967 268 A HN 0.775 nan 8.150 nan 0.000 0.512 269 S N -2.013 113.694 115.700 0.012 0.000 2.800 269 S HA 0.347 4.817 4.470 0.001 0.000 0.293 269 S C 0.828 175.448 174.600 0.035 0.000 1.209 269 S CA 0.487 58.697 58.200 0.016 0.000 0.884 269 S CB 0.338 63.537 63.200 -0.002 0.000 1.244 269 S HN 0.688 nan 8.310 nan 0.000 0.540 270 S N -0.445 115.275 115.700 0.033 0.000 2.522 270 S HA 0.151 4.622 4.470 0.001 0.000 0.227 270 S C 0.237 174.871 174.600 0.056 0.000 0.986 270 S CA 0.039 58.268 58.200 0.049 0.000 0.929 270 S CB -0.778 62.447 63.200 0.041 0.000 0.769 270 S HN 0.690 nan 8.310 nan 0.000 0.529 271 E N 2.043 122.262 120.200 0.032 0.000 2.324 271 E HA 0.195 4.546 4.350 0.001 0.000 0.271 271 E C 0.517 177.149 176.600 0.052 0.000 1.028 271 E CA 0.438 56.852 56.400 0.023 0.000 0.890 271 E CB 0.754 30.440 29.700 -0.023 0.000 1.004 271 E HN 0.564 nan 8.360 nan 0.000 0.431 272 T N -0.603 114.018 114.554 0.111 0.000 3.091 272 T HA 0.259 4.610 4.350 0.001 0.000 0.277 272 T C 0.712 175.602 174.700 0.317 0.000 0.996 272 T CA -0.328 61.930 62.100 0.263 0.000 0.897 272 T CB 0.559 69.640 68.868 0.356 0.000 1.109 272 T HN 0.368 nan 8.240 nan 0.000 0.534 273 G N 1.140 110.000 108.800 0.101 0.000 2.543 273 G HA2 0.528 4.488 3.960 0.001 0.000 0.290 273 G HA3 0.528 4.488 3.960 0.001 0.000 0.290 273 G C -0.417 174.404 174.900 -0.131 0.000 1.310 273 G CA -0.651 44.480 45.100 0.051 0.000 1.025 273 G HN 0.307 nan 8.290 nan 0.000 0.502 274 V N 0.638 120.480 119.914 -0.121 0.000 2.585 274 V HA 0.412 4.532 4.120 0.001 0.000 0.296 274 V C 1.534 177.464 176.094 -0.273 0.000 1.035 274 V CA 1.686 63.859 62.300 -0.213 0.000 1.084 274 V CB 0.372 32.150 31.823 -0.074 0.000 0.953 274 V HN 1.805 nan 8.190 nan 0.000 0.483 275 G N 3.573 112.124 108.800 -0.415 0.000 2.157 275 G HA2 -0.094 3.867 3.960 0.001 0.000 0.248 275 G HA3 -0.094 3.867 3.960 0.001 0.000 0.248 275 G C 0.370 175.084 174.900 -0.311 0.000 0.979 275 G CA 0.139 45.044 45.100 -0.326 0.000 0.650 275 G HN 1.470 nan 8.290 nan 0.000 0.529 276 A N 0.406 122.994 122.820 -0.387 0.000 2.386 276 A HA 0.696 5.016 4.320 0.001 0.000 0.248 276 A C -1.578 175.821 177.584 -0.308 0.000 1.082 276 A CA -0.732 51.127 52.037 -0.297 0.000 0.789 276 A CB 0.284 19.116 19.000 -0.279 0.000 1.025 276 A HN 0.180 nan 8.150 nan 0.000 0.490 277 P HA 0.340 nan 4.420 nan 0.000 0.268 277 P C -0.589 176.611 177.300 -0.168 0.000 1.205 277 P CA 0.307 63.309 63.100 -0.164 0.000 0.771 277 P CB 0.398 32.039 31.700 -0.098 0.000 0.858 278 I N -1.425 119.051 120.570 -0.155 0.000 2.934 278 I HA 0.554 4.725 4.170 0.001 0.000 0.306 278 I C 0.509 176.605 176.117 -0.034 0.000 1.110 278 I CA -0.813 60.428 61.300 -0.099 0.000 1.019 278 I CB 2.559 40.475 38.000 -0.141 0.000 1.227 278 I HN 0.185 nan 8.210 nan 0.000 0.434 279 S N 1.433 117.142 115.700 0.015 0.000 2.524 279 S HA 0.714 5.185 4.470 0.001 0.000 0.215 279 S C 0.633 175.264 174.600 0.051 0.000 0.986 279 S CA 0.168 58.385 58.200 0.028 0.000 0.911 279 S CB 0.041 63.262 63.200 0.034 0.000 0.805 279 S HN 1.580 nan 8.310 nan 0.000 0.501 280 G N 1.475 110.323 108.800 0.079 0.000 2.352 280 G HA2 0.314 4.275 3.960 0.001 0.000 0.283 280 G HA3 0.314 4.275 3.960 0.001 0.000 0.283 280 G C -3.483 171.508 174.900 0.151 0.000 1.308 280 G CA -0.610 44.552 45.100 0.104 0.000 0.892 280 G HN 0.108 nan 8.290 nan 0.000 0.504 281 P HA 0.395 nan 4.420 nan 0.000 0.272 281 P C 0.769 178.090 177.300 0.036 0.000 1.240 281 P CA 0.619 63.752 63.100 0.054 0.000 0.791 281 P CB 0.561 32.269 31.700 0.012 0.000 0.978 282 G N 0.588 109.366 108.800 -0.037 0.000 2.634 282 G HA2 0.326 4.286 3.960 0.001 0.000 0.255 282 G HA3 0.326 4.286 3.960 0.001 0.000 0.255 282 G C 0.135 175.031 174.900 -0.007 0.000 1.205 282 G CA -0.857 44.237 45.100 -0.010 0.000 0.884 282 G HN 0.441 nan 8.290 nan 0.000 0.549 283 I N 1.693 122.273 120.570 0.017 0.000 2.618 283 I HA 0.049 4.219 4.170 0.001 0.000 0.284 283 I C -1.642 174.473 176.117 -0.003 0.000 1.146 283 I CA -1.124 60.189 61.300 0.022 0.000 1.425 283 I CB 0.965 38.996 38.000 0.053 0.000 1.383 283 I HN 0.228 nan 8.210 nan 0.000 0.562 284 P HA -0.009 nan 4.420 nan 0.000 0.265 284 P C 0.099 177.398 177.300 -0.001 0.000 1.187 284 P CA -0.058 63.039 63.100 -0.005 0.000 0.766 284 P CB 0.401 32.105 31.700 0.006 0.000 0.820 285 G N 1.412 110.209 108.800 -0.005 0.000 2.569 285 G HA2 0.338 4.298 3.960 0.001 0.000 0.249 285 G HA3 0.338 4.298 3.960 0.001 0.000 0.249 285 G C 1.320 176.238 174.900 0.031 0.000 1.216 285 G CA -0.123 44.987 45.100 0.017 0.000 0.845 285 G HN 0.520 nan 8.290 nan 0.000 0.568 286 R N 0.286 120.800 120.500 0.023 0.000 2.105 286 R HA -0.004 4.337 4.340 0.001 0.000 0.239 286 R C 1.987 178.132 176.300 -0.258 0.000 1.135 286 R CA 2.284 58.289 56.100 -0.159 0.000 0.967 286 R CB -1.020 29.098 30.300 -0.303 0.000 0.861 286 R HN 0.635 nan 8.270 nan 0.000 0.442 287 F N 0.288 120.313 119.950 0.125 0.000 2.437 287 F HA 0.053 4.580 4.527 0.000 0.000 0.288 287 F C 2.858 178.738 175.800 0.133 0.000 1.085 287 F CA 1.320 59.421 58.000 0.168 0.000 1.430 287 F CB -0.070 39.108 39.000 0.297 0.000 1.120 287 F HN 0.272 nan 8.300 nan 0.000 0.556 288 T N -2.446 112.259 114.554 0.253 0.000 3.043 288 T HA -0.015 4.335 4.350 0.001 0.000 0.263 288 T C 0.869 175.635 174.700 0.111 0.000 1.094 288 T CA 0.127 62.321 62.100 0.156 0.000 1.127 288 T CB -0.512 68.391 68.868 0.057 0.000 0.905 288 T HN 0.148 nan 8.240 nan 0.000 0.490 289 K N 1.579 122.027 120.400 0.079 0.000 3.311 289 K HA -0.189 4.131 4.320 0.001 0.000 0.270 289 K C -0.292 176.330 176.600 0.036 0.000 0.927 289 K CA 0.691 57.008 56.287 0.050 0.000 0.706 289 K CB -1.369 31.167 32.500 0.060 0.000 1.418 289 K HN 0.750 nan 8.250 nan 0.000 0.459 290 E N 0.246 120.456 120.200 0.017 0.000 2.343 290 E HA 0.415 4.765 4.350 0.001 0.000 0.260 290 E C -0.736 175.852 176.600 -0.021 0.000 0.908 290 E CA -0.382 56.018 56.400 0.000 0.000 0.814 290 E CB 1.222 30.919 29.700 -0.006 0.000 1.302 290 E HN 0.345 nan 8.360 nan 0.000 0.408 291 A N 2.625 125.437 122.820 -0.014 0.000 2.584 291 A HA 0.387 4.707 4.320 0.001 0.000 0.239 291 A C 1.307 178.860 177.584 -0.052 0.000 1.043 291 A CA 1.249 53.272 52.037 -0.023 0.000 0.756 291 A CB -0.347 18.652 19.000 -0.001 0.000 0.963 291 A HN 1.236 nan 8.150 nan 0.000 0.511 292 G N 1.842 110.588 108.800 -0.091 0.000 2.175 292 G HA2 -0.144 3.817 3.960 0.001 0.000 0.244 292 G HA3 -0.144 3.817 3.960 0.001 0.000 0.244 292 G C 0.299 175.095 174.900 -0.172 0.000 0.982 292 G CA 0.513 45.517 45.100 -0.161 0.000 0.641 292 G HN 1.421 nan 8.290 nan 0.000 0.527 293 T N 0.497 114.979 114.554 -0.119 0.000 2.893 293 T HA 0.730 5.080 4.350 0.001 0.000 0.293 293 T C -0.547 174.101 174.700 -0.085 0.000 1.027 293 T CA -0.431 61.617 62.100 -0.087 0.000 0.988 293 T CB 2.257 71.072 68.868 -0.089 0.000 1.043 293 T HN 0.449 nan 8.240 nan 0.000 0.461 294 L N 1.815 122.999 121.223 -0.065 0.000 2.493 294 L HA 0.702 5.042 4.340 0.001 0.000 0.265 294 L C 0.083 176.893 176.870 -0.099 0.000 0.954 294 L CA -1.211 53.555 54.840 -0.123 0.000 0.844 294 L CB 1.862 43.800 42.059 -0.201 0.000 1.302 294 L HN 0.790 nan 8.230 nan 0.000 0.405 295 A N 1.302 123.972 122.820 -0.250 0.000 2.366 295 A HA 0.161 4.481 4.320 0.001 0.000 0.249 295 A C 0.436 177.836 177.584 -0.307 0.000 1.084 295 A CA 0.126 51.966 52.037 -0.328 0.000 0.794 295 A CB 0.151 18.634 19.000 -0.863 0.000 1.034 295 A HN 0.761 nan 8.150 nan 0.000 0.491 296 Y N 1.171 121.328 120.300 -0.237 0.000 2.207 296 Y HA -0.320 4.230 4.550 -0.000 0.000 0.287 296 Y C 2.044 177.833 175.900 -0.185 0.000 1.156 296 Y CA 2.774 60.785 58.100 -0.148 0.000 1.182 296 Y CB -0.704 37.754 38.460 -0.004 0.000 0.979 296 Y HN 0.819 nan 8.280 nan 0.000 0.521 297 Y N -1.146 118.974 120.300 -0.300 0.000 2.293 297 Y HA -0.052 4.498 4.550 0.000 0.000 0.291 297 Y C 1.882 177.508 175.900 -0.457 0.000 1.137 297 Y CA 1.244 59.018 58.100 -0.544 0.000 1.202 297 Y CB -1.208 36.660 38.460 -0.987 0.000 0.990 297 Y HN 0.142 nan 8.280 nan 0.000 0.537 298 E N 0.808 120.691 120.200 -0.527 0.000 2.152 298 E HA -0.062 4.288 4.350 0.001 0.000 0.192 298 E C 2.081 178.603 176.600 -0.129 0.000 0.983 298 E CA 1.141 57.425 56.400 -0.192 0.000 0.818 298 E CB -0.156 29.415 29.700 -0.215 0.000 0.758 298 E HN 0.564 nan 8.360 nan 0.000 0.467 299 I N 0.661 121.063 120.570 -0.280 0.000 2.315 299 I HA -0.284 3.886 4.170 0.001 0.000 0.248 299 I C 2.255 178.232 176.117 -0.232 0.000 1.117 299 I CA 0.538 61.661 61.300 -0.294 0.000 1.404 299 I CB -0.217 37.476 38.000 -0.512 0.000 1.071 299 I HN 0.238 nan 8.210 nan 0.000 0.419 300 c N 0.580 118.968 118.600 -0.354 0.000 2.411 300 c HA -0.175 4.396 4.570 0.001 0.000 0.279 300 c C 2.404 176.469 174.090 -0.041 0.000 1.288 300 c CA 0.822 57.008 56.329 -0.237 0.000 1.764 300 c CB -1.019 41.335 42.510 -0.260 0.000 1.974 300 c HN 0.520 nan 8.230 nan 0.000 0.498 301 D N -0.218 120.213 120.400 0.052 0.000 2.103 301 D HA -0.082 4.558 4.640 0.001 0.000 0.199 301 D C 1.770 178.123 176.300 0.088 0.000 0.978 301 D CA 0.895 54.964 54.000 0.114 0.000 0.829 301 D CB -0.546 40.385 40.800 0.218 0.000 0.981 301 D HN 0.455 nan 8.370 nan 0.000 0.464 302 F N 1.595 121.516 119.950 -0.048 0.000 2.120 302 F HA -0.172 4.356 4.527 0.002 0.000 0.300 302 F C 2.074 177.837 175.800 -0.061 0.000 1.095 302 F CA 1.141 59.109 58.000 -0.053 0.000 1.249 302 F CB -0.275 38.672 39.000 -0.089 0.000 0.995 302 F HN -0.084 nan 8.300 nan 0.000 0.480 303 L N 0.176 121.391 121.223 -0.013 0.000 2.261 303 L HA -0.171 4.170 4.340 0.001 0.000 0.216 303 L C 0.921 177.710 176.870 -0.136 0.000 1.114 303 L CA 0.756 55.543 54.840 -0.089 0.000 0.777 303 L CB -0.709 41.325 42.059 -0.042 0.000 0.910 303 L HN -0.033 nan 8.230 nan 0.000 0.440 304 R N 0.763 121.194 120.500 -0.114 0.000 2.402 304 R HA 0.158 4.498 4.340 0.001 0.000 0.331 304 R C 1.058 177.274 176.300 -0.140 0.000 1.040 304 R CA 0.672 56.714 56.100 -0.097 0.000 0.980 304 R CB -0.115 30.150 30.300 -0.057 0.000 0.967 304 R HN 0.339 nan 8.270 nan 0.000 0.440 305 G N 1.312 110.038 108.800 -0.123 0.000 2.157 305 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 305 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 305 G C 0.113 174.912 174.900 -0.167 0.000 0.979 305 G CA -0.000 45.026 45.100 -0.124 0.000 0.650 305 G HN 0.804 nan 8.290 nan 0.000 0.529 306 A N -0.653 122.040 122.820 -0.212 0.000 2.269 306 A HA 0.903 5.224 4.320 0.001 0.000 0.327 306 A C 0.283 177.786 177.584 -0.136 0.000 1.112 306 A CA 0.413 52.310 52.037 -0.234 0.000 0.865 306 A CB 1.134 19.894 19.000 -0.400 0.000 1.227 306 A HN 0.690 nan 8.150 nan 0.000 0.498 307 T N 0.859 115.351 114.554 -0.103 0.000 2.771 307 T HA 0.512 4.862 4.350 0.001 0.000 0.281 307 T C -0.589 173.956 174.700 -0.258 0.000 0.982 307 T CA -0.224 61.775 62.100 -0.168 0.000 0.978 307 T CB 1.052 69.855 68.868 -0.108 0.000 0.930 307 T HN 0.412 nan 8.240 nan 0.000 0.447 308 V N 5.098 124.799 119.914 -0.355 0.000 2.435 308 V HA 0.401 4.521 4.120 0.001 0.000 0.290 308 V C -0.331 175.381 176.094 -0.637 0.000 1.030 308 V CA -0.798 61.294 62.300 -0.348 0.000 0.881 308 V CB 1.124 32.874 31.823 -0.120 0.000 0.983 308 V HN 0.832 nan 8.190 nan 0.000 0.445 309 H N 4.367 123.125 119.070 -0.520 0.000 2.538 309 H HA 0.511 5.068 4.556 0.001 0.000 0.353 309 H C -0.492 174.572 175.328 -0.440 0.000 1.109 309 H CA -0.855 54.868 56.048 -0.542 0.000 1.192 309 H CB 2.093 31.338 29.762 -0.862 0.000 1.555 309 H HN 0.404 nan 8.280 nan 0.000 0.518 310 R N 2.955 123.393 120.500 -0.103 0.000 2.202 310 R HA 0.282 4.622 4.340 0.001 0.000 0.334 310 R C 0.141 176.443 176.300 0.003 0.000 1.036 310 R CA -0.568 55.491 56.100 -0.068 0.000 0.878 310 R CB 0.612 30.885 30.300 -0.045 0.000 1.067 310 R HN 0.541 nan 8.270 nan 0.000 0.457 311 I N 5.345 125.933 120.570 0.030 0.000 2.421 311 I HA 0.036 4.207 4.170 0.001 0.000 0.291 311 I C 0.852 176.988 176.117 0.032 0.000 1.089 311 I CA -0.083 61.271 61.300 0.090 0.000 1.354 311 I CB 0.274 38.347 38.000 0.121 0.000 1.413 311 I HN 0.280 nan 8.210 nan 0.000 0.513 312 L N 6.549 127.793 121.223 0.036 0.000 2.453 312 L HA 0.160 4.500 4.340 0.001 0.000 0.272 312 L C 1.463 178.339 176.870 0.010 0.000 1.182 312 L CA 0.725 55.574 54.840 0.015 0.000 0.858 312 L CB 0.442 42.508 42.059 0.011 0.000 1.120 312 L HN 0.990 nan 8.230 nan 0.000 0.474 313 G N 1.747 110.549 108.800 0.003 0.000 2.454 313 G HA2 -0.306 3.654 3.960 0.001 0.000 0.225 313 G HA3 -0.306 3.654 3.960 0.001 0.000 0.225 313 G C 0.886 175.829 174.900 0.073 0.000 1.138 313 G CA 0.367 45.468 45.100 0.001 0.000 0.667 313 G HN 0.625 nan 8.290 nan 0.000 0.512 314 Q N -0.240 119.586 119.800 0.043 0.000 2.396 314 Q HA 0.165 4.506 4.340 0.001 0.000 0.209 314 Q C 1.001 176.988 176.000 -0.022 0.000 0.906 314 Q CA 0.708 56.519 55.803 0.015 0.000 0.927 314 Q CB 0.276 28.974 28.738 -0.066 0.000 1.069 314 Q HN 0.632 nan 8.270 nan 0.000 0.523 315 Q N -0.661 119.136 119.800 -0.005 0.000 2.503 315 Q HA -0.141 4.200 4.340 0.001 0.000 0.267 315 Q C -0.469 175.454 176.000 -0.127 0.000 1.030 315 Q CA 1.076 56.864 55.803 -0.025 0.000 1.041 315 Q CB -2.502 26.266 28.738 0.050 0.000 1.406 315 Q HN 0.337 nan 8.270 nan 0.000 0.524 316 V N -3.808 115.978 119.914 -0.214 0.000 3.078 316 V HA 0.921 5.041 4.120 0.001 0.000 0.311 316 V C -2.658 173.286 176.094 -0.251 0.000 1.138 316 V CA -2.221 59.881 62.300 -0.329 0.000 1.007 316 V CB 2.716 34.093 31.823 -0.744 0.000 1.045 316 V HN -0.097 nan 8.190 nan 0.000 0.432 317 P HA 0.576 nan 4.420 nan 0.000 0.289 317 P C -2.047 175.128 177.300 -0.210 0.000 1.293 317 P CA -0.394 62.539 63.100 -0.278 0.000 0.897 317 P CB 1.819 33.278 31.700 -0.402 0.000 1.166 318 Y N -1.204 118.984 120.300 -0.186 0.000 2.545 318 Y HA 0.851 5.403 4.550 0.002 0.000 0.348 318 Y C -1.555 174.277 175.900 -0.114 0.000 1.002 318 Y CA -1.662 56.256 58.100 -0.302 0.000 1.039 318 Y CB 1.078 39.029 38.460 -0.849 0.000 1.271 318 Y HN 0.579 nan 8.280 nan 0.000 0.467 319 A N 1.589 124.500 122.820 0.152 0.000 2.401 319 A HA 0.792 5.113 4.320 0.001 0.000 0.310 319 A C -0.952 176.797 177.584 0.275 0.000 1.075 319 A CA -0.620 51.546 52.037 0.215 0.000 0.746 319 A CB 1.786 21.029 19.000 0.404 0.000 1.277 319 A HN 0.958 nan 8.150 nan 0.000 0.425 320 T N 0.548 115.273 114.554 0.285 0.000 2.912 320 T HA 0.671 5.021 4.350 0.001 0.000 0.299 320 T C -1.320 173.513 174.700 0.222 0.000 1.052 320 T CA -0.523 61.800 62.100 0.373 0.000 0.996 320 T CB 0.992 70.110 68.868 0.416 0.000 1.070 320 T HN 0.797 nan 8.240 nan 0.000 0.465 321 K N 2.788 123.330 120.400 0.237 0.000 2.589 321 K HA 0.525 4.845 4.320 0.001 0.000 0.253 321 K C 0.447 177.123 176.600 0.126 0.000 0.974 321 K CA 0.204 56.498 56.287 0.013 0.000 0.835 321 K CB 0.954 33.211 32.500 -0.405 0.000 1.272 321 K HN 1.084 nan 8.250 nan 0.000 0.444 322 G N 3.436 112.297 108.800 0.102 0.000 2.596 322 G HA2 -0.391 3.569 3.960 0.001 0.000 0.295 322 G HA3 -0.391 3.569 3.960 0.001 0.000 0.295 322 G C 0.074 175.076 174.900 0.171 0.000 1.240 322 G CA 0.569 45.739 45.100 0.117 0.000 0.985 322 G HN 0.899 nan 8.290 nan 0.000 0.555 323 N N 1.221 120.021 118.700 0.167 0.000 2.362 323 N HA 0.152 4.892 4.740 0.001 0.000 0.211 323 N C 0.256 175.908 175.510 0.238 0.000 1.170 323 N CA 0.640 53.796 53.050 0.177 0.000 0.828 323 N CB 0.400 38.964 38.487 0.127 0.000 1.034 323 N HN 0.593 nan 8.380 nan 0.000 0.475 324 Q N -0.091 119.905 119.800 0.326 0.000 2.345 324 Q HA 0.386 4.727 4.340 0.001 0.000 0.268 324 Q C -1.508 174.826 176.000 0.556 0.000 1.054 324 Q CA -0.343 55.700 55.803 0.399 0.000 0.835 324 Q CB 2.176 31.192 28.738 0.463 0.000 1.339 324 Q HN 0.459 nan 8.270 nan 0.000 0.447 325 W N 1.780 123.222 121.300 0.237 0.000 3.259 325 W HA 0.560 5.221 4.660 0.002 0.000 0.331 325 W C -1.754 174.866 176.519 0.169 0.000 1.144 325 W CA -0.666 56.850 57.345 0.285 0.000 1.227 325 W CB 1.275 30.901 29.460 0.277 0.000 1.371 325 W HN 0.366 nan 8.180 nan 0.000 0.491 326 V N 5.854 125.891 119.914 0.204 0.000 2.668 326 V HA 0.843 4.963 4.120 0.001 0.000 0.304 326 V C -0.467 175.680 176.094 0.089 0.000 1.071 326 V CA -0.354 62.021 62.300 0.125 0.000 0.894 326 V CB 1.610 33.319 31.823 -0.192 0.000 1.008 326 V HN 0.732 nan 8.190 nan 0.000 0.425 327 G N 5.857 114.768 108.800 0.186 0.000 2.322 327 G HA2 0.655 4.615 3.960 0.001 0.000 0.309 327 G HA3 0.655 4.615 3.960 0.001 0.000 0.309 327 G C -1.160 173.705 174.900 -0.058 0.000 1.121 327 G CA -0.062 44.994 45.100 -0.073 0.000 0.886 327 G HN 1.293 nan 8.290 nan 0.000 0.447 328 Y N -0.660 119.596 120.300 -0.074 0.000 2.900 328 Y HA 0.707 5.257 4.550 -0.000 0.000 0.318 328 Y C -1.256 174.771 175.900 0.211 0.000 1.457 328 Y CA -1.806 56.334 58.100 0.067 0.000 1.082 328 Y CB 0.973 39.491 38.460 0.096 0.000 1.419 328 Y HN 0.317 nan 8.280 nan 0.000 0.459 329 D N 1.015 121.507 120.400 0.153 0.000 2.362 329 D HA 0.348 4.988 4.640 0.001 0.000 0.247 329 D C -1.425 174.915 176.300 0.067 0.000 1.050 329 D CA -0.093 53.910 54.000 0.005 0.000 0.839 329 D CB 2.128 42.914 40.800 -0.023 0.000 1.283 329 D HN 0.710 nan 8.370 nan 0.000 0.477 330 D N 0.104 120.505 120.400 0.001 0.000 2.687 330 D HA 0.145 4.785 4.640 0.001 0.000 0.264 330 D C 0.898 177.183 176.300 -0.025 0.000 1.091 330 D CA -0.457 53.571 54.000 0.046 0.000 1.123 330 D CB 0.560 41.518 40.800 0.263 0.000 1.407 330 D HN 0.015 nan 8.370 nan 0.000 0.591 331 Q N -0.336 119.472 119.800 0.013 0.000 2.096 331 Q HA -0.220 4.120 4.340 0.001 0.000 0.208 331 Q C 1.757 177.762 176.000 0.008 0.000 0.993 331 Q CA 2.296 58.105 55.803 0.012 0.000 0.862 331 Q CB -0.104 28.665 28.738 0.050 0.000 0.915 331 Q HN 0.679 nan 8.270 nan 0.000 0.416 332 E N -0.461 119.748 120.200 0.016 0.000 2.051 332 E HA -0.197 4.153 4.350 0.001 0.000 0.192 332 E C 1.979 178.570 176.600 -0.015 0.000 0.991 332 E CA 1.437 57.839 56.400 0.004 0.000 0.799 332 E CB 0.022 29.724 29.700 0.004 0.000 0.748 332 E HN 0.449 nan 8.360 nan 0.000 0.449 333 S N 0.223 115.902 115.700 -0.036 0.000 2.387 333 S HA -0.129 4.342 4.470 0.001 0.000 0.226 333 S C 2.255 176.826 174.600 -0.048 0.000 1.026 333 S CA 1.218 59.383 58.200 -0.058 0.000 0.972 333 S CB -0.701 62.437 63.200 -0.103 0.000 0.814 333 S HN 0.276 nan 8.310 nan 0.000 0.477 334 V N 0.455 120.345 119.914 -0.041 0.000 2.515 334 V HA -0.034 4.086 4.120 0.001 0.000 0.250 334 V C 2.503 178.587 176.094 -0.016 0.000 1.058 334 V CA 1.932 64.214 62.300 -0.030 0.000 1.064 334 V CB -1.149 30.656 31.823 -0.030 0.000 0.675 334 V HN 0.482 nan 8.190 nan 0.000 0.461 335 K N 0.963 121.357 120.400 -0.010 0.000 2.026 335 K HA -0.146 4.174 4.320 0.001 0.000 0.208 335 K C 2.365 178.969 176.600 0.007 0.000 1.048 335 K CA 1.899 58.185 56.287 -0.001 0.000 0.929 335 K CB -0.302 32.202 32.500 0.006 0.000 0.713 335 K HN 0.573 nan 8.250 nan 0.000 0.439 336 S N 1.014 116.720 115.700 0.009 0.000 2.368 336 S HA -0.119 4.351 4.470 0.001 0.000 0.225 336 S C 1.687 176.310 174.600 0.037 0.000 1.030 336 S CA 1.352 59.571 58.200 0.032 0.000 0.999 336 S CB -0.154 63.061 63.200 0.026 0.000 0.844 336 S HN 0.333 nan 8.310 nan 0.000 0.459 337 K N 0.718 121.114 120.400 -0.007 0.000 2.097 337 K HA -0.029 4.291 4.320 0.001 0.000 0.206 337 K C 2.052 178.685 176.600 0.055 0.000 1.049 337 K CA 1.122 57.404 56.287 -0.009 0.000 0.933 337 K CB -0.387 32.087 32.500 -0.043 0.000 0.717 337 K HN 0.170 nan 8.250 nan 0.000 0.442 338 V N 1.329 121.250 119.914 0.012 0.000 2.358 338 V HA -0.252 3.869 4.120 0.001 0.000 0.246 338 V C 2.420 178.496 176.094 -0.030 0.000 1.047 338 V CA 1.764 64.044 62.300 -0.032 0.000 1.035 338 V CB -0.427 31.358 31.823 -0.062 0.000 0.658 338 V HN 0.307 nan 8.190 nan 0.000 0.452 339 Q N -0.400 119.409 119.800 0.016 0.000 2.096 339 Q HA -0.266 4.074 4.340 0.001 0.000 0.204 339 Q C 2.031 178.070 176.000 0.064 0.000 0.982 339 Q CA 2.279 58.100 55.803 0.031 0.000 0.850 339 Q CB -0.657 28.117 28.738 0.062 0.000 0.901 339 Q HN 0.754 nan 8.270 nan 0.000 0.422 340 Y N 0.390 120.680 120.300 -0.016 0.000 2.145 340 Y HA -0.216 4.335 4.550 0.000 0.000 0.286 340 Y C 1.755 177.643 175.900 -0.019 0.000 1.145 340 Y CA 1.846 59.944 58.100 -0.003 0.000 1.148 340 Y CB -0.342 38.082 38.460 -0.061 0.000 0.981 340 Y HN 0.299 nan 8.280 nan 0.000 0.507 341 L N -0.268 120.972 121.223 0.028 0.000 2.141 341 L HA -0.028 4.312 4.340 0.001 0.000 0.209 341 L C 1.921 178.711 176.870 -0.133 0.000 1.094 341 L CA 1.719 56.515 54.840 -0.074 0.000 0.763 341 L CB -0.972 41.089 42.059 0.003 0.000 0.908 341 L HN -0.055 nan 8.230 nan 0.000 0.437 342 K N 0.176 120.488 120.400 -0.147 0.000 2.057 342 K HA -0.109 4.211 4.320 0.001 0.000 0.206 342 K C 1.750 178.330 176.600 -0.034 0.000 1.050 342 K CA 1.431 57.658 56.287 -0.101 0.000 0.935 342 K CB -0.298 32.122 32.500 -0.132 0.000 0.715 342 K HN 0.367 nan 8.250 nan 0.000 0.439 343 D N 0.361 120.711 120.400 -0.083 0.000 2.218 343 D HA -0.116 4.524 4.640 0.001 0.000 0.204 343 D C 1.586 177.812 176.300 -0.123 0.000 0.976 343 D CA 0.890 54.842 54.000 -0.081 0.000 0.853 343 D CB 0.088 40.840 40.800 -0.080 0.000 0.939 343 D HN 0.034 nan 8.370 nan 0.000 0.481 344 R N 0.301 120.676 120.500 -0.209 0.000 2.317 344 R HA 0.110 4.450 4.340 0.001 0.000 0.208 344 R C 0.212 176.470 176.300 -0.070 0.000 0.914 344 R CA -0.015 55.970 56.100 -0.192 0.000 1.060 344 R CB 0.077 30.177 30.300 -0.333 0.000 1.015 344 R HN 0.291 nan 8.270 nan 0.000 0.498 345 Q N 0.769 120.563 119.800 -0.011 0.000 2.468 345 Q HA -0.176 4.164 4.340 0.001 0.000 0.289 345 Q C -0.594 175.452 176.000 0.077 0.000 1.299 345 Q CA 0.431 56.273 55.803 0.065 0.000 0.838 345 Q CB -1.647 27.110 28.738 0.032 0.000 1.195 345 Q HN 0.312 nan 8.270 nan 0.000 0.456 346 L N -1.189 120.082 121.223 0.080 0.000 2.468 346 L HA 0.362 4.703 4.340 0.001 0.000 0.254 346 L C 1.651 178.616 176.870 0.159 0.000 1.171 346 L CA 0.364 55.252 54.840 0.081 0.000 0.809 346 L CB 0.268 42.356 42.059 0.050 0.000 1.155 346 L HN 0.299 nan 8.230 nan 0.000 0.473 347 A N 0.783 123.669 122.820 0.111 0.000 2.067 347 A HA 0.302 4.622 4.320 0.001 0.000 0.219 347 A C 0.971 178.656 177.584 0.169 0.000 1.158 347 A CA 1.419 53.521 52.037 0.107 0.000 0.661 347 A CB -0.436 18.580 19.000 0.027 0.000 0.801 347 A HN 1.024 nan 8.150 nan 0.000 0.452 348 G N -2.892 105.982 108.800 0.124 0.000 2.332 348 G HA2 0.557 4.517 3.960 0.001 0.000 0.265 348 G HA3 0.557 4.517 3.960 0.001 0.000 0.265 348 G C -0.782 174.123 174.900 0.008 0.000 1.329 348 G CA -0.178 44.962 45.100 0.067 0.000 0.949 348 G HN 1.325 nan 8.290 nan 0.000 0.476 349 A N -0.443 122.377 122.820 -0.001 0.000 2.380 349 A HA 0.870 5.191 4.320 0.001 0.000 0.315 349 A C -0.251 177.369 177.584 0.059 0.000 1.101 349 A CA -0.413 51.646 52.037 0.036 0.000 0.771 349 A CB 1.887 20.905 19.000 0.030 0.000 1.287 349 A HN 1.520 nan 8.150 nan 0.000 0.436 350 M N 2.317 122.000 119.600 0.139 0.000 2.456 350 M HA 0.629 5.110 4.480 0.001 0.000 0.324 350 M C -2.031 174.442 176.300 0.288 0.000 1.124 350 M CA -0.563 54.870 55.300 0.222 0.000 0.959 350 M CB 1.536 34.333 32.600 0.328 0.000 1.692 350 M HN 0.402 nan 8.290 nan 0.000 0.444 351 V N 5.237 125.335 119.914 0.308 0.000 2.487 351 V HA 0.483 4.604 4.120 0.001 0.000 0.298 351 V C -1.285 175.051 176.094 0.404 0.000 1.028 351 V CA -0.594 61.884 62.300 0.295 0.000 0.860 351 V CB 2.051 33.976 31.823 0.170 0.000 0.991 351 V HN 0.864 nan 8.190 nan 0.000 0.427 352 W N 6.183 127.606 121.300 0.206 0.000 2.463 352 W HA 0.797 5.458 4.660 0.000 0.000 0.316 352 W C -0.677 175.936 176.519 0.156 0.000 1.004 352 W CA -0.504 56.929 57.345 0.147 0.000 1.309 352 W CB 1.654 31.140 29.460 0.043 0.000 1.288 352 W HN 0.701 nan 8.180 nan 0.000 0.423 353 A N 4.835 127.561 122.820 -0.156 0.000 2.566 353 A HA 0.474 4.795 4.320 0.001 0.000 0.292 353 A C 0.308 177.806 177.584 -0.144 0.000 1.112 353 A CA -0.655 51.112 52.037 -0.451 0.000 0.707 353 A CB 1.363 19.596 19.000 -1.279 0.000 1.302 353 A HN 0.586 nan 8.150 nan 0.000 0.409 354 L N -0.130 121.042 121.223 -0.085 0.000 2.043 354 L HA -0.232 4.108 4.340 0.001 0.000 0.212 354 L C 1.919 178.909 176.870 0.201 0.000 1.075 354 L CA 2.502 57.425 54.840 0.138 0.000 0.752 354 L CB -0.510 41.618 42.059 0.115 0.000 0.891 354 L HN 1.015 nan 8.230 nan 0.000 0.432 355 D N -0.942 119.428 120.400 -0.051 0.000 2.363 355 D HA -0.110 4.530 4.640 0.001 0.000 0.226 355 D C 1.767 178.155 176.300 0.146 0.000 1.020 355 D CA 0.569 54.510 54.000 -0.099 0.000 0.892 355 D CB -0.073 40.494 40.800 -0.388 0.000 0.900 355 D HN 0.335 nan 8.370 nan 0.000 0.531 356 L N -0.672 120.619 121.223 0.114 0.000 2.638 356 L HA 0.205 4.546 4.340 0.001 0.000 0.232 356 L C 0.926 177.940 176.870 0.241 0.000 1.099 356 L CA -0.288 54.636 54.840 0.139 0.000 0.883 356 L CB 0.074 42.173 42.059 0.066 0.000 1.136 356 L HN 0.044 nan 8.230 nan 0.000 0.492 357 D N 0.415 120.994 120.400 0.298 0.000 2.398 357 D HA -0.040 4.601 4.640 0.001 0.000 0.247 357 D C -0.259 176.224 176.300 0.306 0.000 1.227 357 D CA -0.176 54.013 54.000 0.316 0.000 0.980 357 D CB 0.959 41.957 40.800 0.329 0.000 1.106 357 D HN -0.146 nan 8.370 nan 0.000 0.493 358 D N 0.698 121.223 120.400 0.207 0.000 2.551 358 D HA 0.004 4.645 4.640 0.001 0.000 0.223 358 D C 0.983 177.051 176.300 -0.386 0.000 1.144 358 D CA -0.341 53.621 54.000 -0.063 0.000 1.025 358 D CB -0.988 39.839 40.800 0.044 0.000 1.085 358 D HN 0.351 nan 8.370 nan 0.000 0.506 359 F N 0.842 120.451 119.950 -0.570 0.000 2.293 359 F HA -0.063 4.465 4.527 0.001 0.000 0.300 359 F C 1.721 177.146 175.800 -0.626 0.000 1.086 359 F CA 0.512 57.814 58.000 -1.163 0.000 1.375 359 F CB -0.356 38.127 39.000 -0.862 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 -1.027 0.000 2.172 360 Q HA 0.074 4.415 4.340 0.001 0.000 0.200 360 Q C 2.123 177.956 176.000 -0.278 0.000 0.964 360 Q CA 1.273 56.745 55.803 -0.552 0.000 0.855 360 Q CB -0.696 27.697 28.738 -0.575 0.000 0.918 360 Q HN 0.742 nan 8.270 nan 0.000 0.444 361 G N 0.859 109.509 108.800 -0.251 0.000 2.148 361 G HA2 -0.304 3.657 3.960 0.001 0.000 0.254 361 G HA3 -0.304 3.657 3.960 0.001 0.000 0.254 361 G C 0.913 175.769 174.900 -0.074 0.000 0.981 361 G CA 0.916 45.951 45.100 -0.108 0.000 0.670 361 G HN 0.479 nan 8.290 nan 0.000 0.528 362 S N -1.392 114.247 115.700 -0.102 0.000 2.512 362 S HA 0.443 4.913 4.470 0.001 0.000 0.216 362 S C 1.617 176.078 174.600 -0.232 0.000 1.006 362 S CA 0.708 58.799 58.200 -0.183 0.000 0.915 362 S CB -0.084 62.937 63.200 -0.299 0.000 0.824 362 S HN 0.219 nan 8.310 nan 0.000 0.497 363 F N 1.558 121.396 119.950 -0.186 0.000 2.317 363 F HA 0.229 4.756 4.527 0.000 0.000 0.293 363 F C 2.047 177.783 175.800 -0.107 0.000 1.085 363 F CA -0.058 57.859 58.000 -0.137 0.000 1.390 363 F CB -0.453 38.465 39.000 -0.136 0.000 1.077 363 F HN 0.268 nan 8.300 nan 0.000 0.517 364 c N 0.434 119.088 118.600 0.090 0.000 2.625 364 c HA 0.604 5.174 4.570 0.001 0.000 0.285 364 c C 1.390 175.495 174.090 0.024 0.000 1.279 364 c CA -0.155 56.190 56.329 0.026 0.000 1.698 364 c CB -1.727 40.804 42.510 0.035 0.000 1.821 364 c HN 0.739 nan 8.230 nan 0.000 0.600 365 G N 1.203 110.004 108.800 0.002 0.000 2.697 365 G HA2 -0.113 3.848 3.960 0.001 0.000 0.240 365 G HA3 -0.113 3.848 3.960 0.001 0.000 0.240 365 G C 0.253 175.159 174.900 0.010 0.000 1.346 365 G CA 0.393 45.488 45.100 -0.008 0.000 0.887 365 G HN 0.372 nan 8.290 nan 0.000 0.569 366 Q N -1.251 118.555 119.800 0.009 0.000 2.217 366 Q HA -0.247 4.093 4.340 0.001 0.000 0.170 366 Q C 1.123 177.132 176.000 0.016 0.000 0.597 366 Q CA 2.510 58.325 55.803 0.020 0.000 1.426 366 Q CB -1.971 26.792 28.738 0.040 0.000 1.504 366 Q HN 1.678 nan 8.270 nan 0.000 0.860 367 D N -1.665 118.736 120.400 0.003 0.000 3.028 367 D HA -0.223 4.418 4.640 0.001 0.000 0.211 367 D C 0.217 176.525 176.300 0.014 0.000 1.136 367 D CA 1.232 55.229 54.000 -0.005 0.000 0.987 367 D CB -1.022 39.774 40.800 -0.006 0.000 1.128 367 D HN 0.370 nan 8.370 nan 0.000 0.406 368 L N 1.538 122.782 121.223 0.035 0.000 2.360 368 L HA 0.194 4.534 4.340 0.001 0.000 0.276 368 L C 0.593 177.501 176.870 0.063 0.000 1.121 368 L CA 0.199 55.076 54.840 0.062 0.000 0.845 368 L CB 0.520 42.626 42.059 0.078 0.000 1.143 368 L HN -0.103 nan 8.230 nan 0.000 0.452 369 R N 4.480 125.034 120.500 0.089 0.000 2.490 369 R HA 0.297 4.637 4.340 0.001 0.000 0.278 369 R C -0.418 176.014 176.300 0.221 0.000 1.069 369 R CA -0.541 55.594 56.100 0.059 0.000 1.080 369 R CB 0.311 30.693 30.300 0.137 0.000 1.030 369 R HN 0.645 nan 8.270 nan 0.000 0.491 370 F N 0.898 120.923 119.950 0.126 0.000 2.943 370 F HA -0.186 4.341 4.527 0.001 0.000 0.258 370 F C -1.247 174.617 175.800 0.105 0.000 0.995 370 F CA -0.134 57.944 58.000 0.130 0.000 0.896 370 F CB -1.128 37.940 39.000 0.113 0.000 0.821 370 F HN 0.574 nan 8.300 nan 0.000 0.828 371 P HA -0.217 nan 4.420 nan 0.000 0.216 371 P C 1.794 179.162 177.300 0.113 0.000 1.153 371 P CA 1.731 64.936 63.100 0.174 0.000 0.858 371 P CB 0.229 32.056 31.700 0.212 0.000 0.789 372 L N -0.873 120.381 121.223 0.052 0.000 2.072 372 L HA -0.085 4.255 4.340 0.001 0.000 0.205 372 L C 2.630 179.520 176.870 0.034 0.000 1.079 372 L CA 1.910 56.718 54.840 -0.053 0.000 0.752 372 L CB -1.601 40.323 42.059 -0.225 0.000 0.906 372 L HN 0.018 nan 8.230 nan 0.000 0.436 373 T N -0.807 113.815 114.554 0.113 0.000 2.867 373 T HA -0.096 4.255 4.350 0.001 0.000 0.268 373 T C 1.743 176.492 174.700 0.083 0.000 1.057 373 T CA 0.923 63.085 62.100 0.103 0.000 1.136 373 T CB -0.174 68.773 68.868 0.132 0.000 0.874 373 T HN 0.266 nan 8.240 nan 0.000 0.466 374 N N 1.183 119.952 118.700 0.114 0.000 2.216 374 N HA 0.052 4.792 4.740 0.001 0.000 0.183 374 N C 2.176 177.724 175.510 0.063 0.000 1.017 374 N CA 1.079 54.183 53.050 0.091 0.000 0.861 374 N CB -0.290 38.269 38.487 0.119 0.000 0.986 374 N HN 0.398 nan 8.380 nan 0.000 0.428 375 A N 1.362 124.217 122.820 0.057 0.000 1.902 375 A HA -0.081 4.239 4.320 0.001 0.000 0.217 375 A C 2.282 179.880 177.584 0.023 0.000 1.181 375 A CA 0.905 52.964 52.037 0.036 0.000 0.623 375 A CB -0.580 18.435 19.000 0.024 0.000 0.818 375 A HN 0.205 nan 8.150 nan 0.000 0.443 376 I N -0.699 119.884 120.570 0.022 0.000 2.252 376 I HA -0.237 3.934 4.170 0.001 0.000 0.245 376 I C 2.553 178.676 176.117 0.010 0.000 1.102 376 I CA 1.733 63.039 61.300 0.011 0.000 1.385 376 I CB -0.248 37.763 38.000 0.018 0.000 1.064 376 I HN 0.400 nan 8.210 nan 0.000 0.414 377 K N 1.092 121.507 120.400 0.026 0.000 2.002 377 K HA -0.224 4.096 4.320 0.001 0.000 0.209 377 K C 1.659 178.279 176.600 0.032 0.000 1.048 377 K CA 2.032 58.339 56.287 0.032 0.000 0.930 377 K CB -0.064 32.460 32.500 0.040 0.000 0.714 377 K HN 0.188 nan 8.250 nan 0.000 0.438 378 D N 0.514 120.933 120.400 0.032 0.000 2.149 378 D HA -0.154 4.487 4.640 0.001 0.000 0.198 378 D C 1.769 178.082 176.300 0.022 0.000 0.990 378 D CA 1.395 55.413 54.000 0.030 0.000 0.839 378 D CB -0.252 40.566 40.800 0.031 0.000 0.948 378 D HN 0.390 nan 8.370 nan 0.000 0.460 379 A N 0.487 123.313 122.820 0.010 0.000 1.930 379 A HA -0.070 4.251 4.320 0.001 0.000 0.217 379 A C 2.342 179.910 177.584 -0.026 0.000 1.175 379 A CA 0.697 52.730 52.037 -0.006 0.000 0.627 379 A CB -0.665 18.326 19.000 -0.015 0.000 0.815 379 A HN 0.199 nan 8.150 nan 0.000 0.443 380 L N -1.085 120.117 121.223 -0.035 0.000 2.141 380 L HA -0.135 4.206 4.340 0.001 0.000 0.209 380 L C 2.854 179.773 176.870 0.082 0.000 1.094 380 L CA 0.972 55.773 54.840 -0.065 0.000 0.763 380 L CB -0.293 41.744 42.059 -0.036 0.000 0.908 380 L HN 0.443 nan 8.230 nan 0.000 0.437 381 A N -0.254 122.613 122.820 0.078 0.000 2.132 381 A HA 0.328 4.648 4.320 0.001 0.000 0.213 381 A C 1.429 179.056 177.584 0.071 0.000 1.154 381 A CA 0.505 52.597 52.037 0.092 0.000 0.753 381 A CB -0.288 18.750 19.000 0.065 0.000 0.826 381 A HN 0.276 nan 8.150 nan 0.000 0.469 382 A N -0.701 122.149 122.820 0.050 0.000 2.409 382 A HA 0.483 4.803 4.320 0.001 0.000 0.246 382 A C 0.976 178.589 177.584 0.048 0.000 1.099 382 A CA 0.805 52.865 52.037 0.040 0.000 0.789 382 A CB -0.595 18.421 19.000 0.026 0.000 1.053 382 A HN 1.121 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 0.038 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