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 1nx6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNXTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 2.136 122.545 120.400 0.015 0.000 2.451 2 K HA 0.232 4.553 4.320 0.002 0.000 0.280 2 K C -0.828 175.788 176.600 0.027 0.000 1.020 2 K CA 0.335 56.634 56.287 0.019 0.000 1.008 2 K CB -0.161 32.339 32.500 -0.000 0.000 0.917 2 K HN 0.639 nan 8.250 nan 0.000 0.478 3 N N 1.731 120.455 118.700 0.040 0.000 2.437 3 N HA 0.152 4.893 4.740 0.002 0.000 0.243 3 N C -0.841 174.686 175.510 0.030 0.000 1.041 3 N CA -0.464 52.612 53.050 0.044 0.000 0.940 3 N CB 1.034 39.559 38.487 0.064 0.000 1.133 3 N HN 0.103 nan 8.380 nan 0.000 0.506 4 V N 1.252 121.152 119.914 -0.022 0.000 2.435 4 V HA 0.571 4.692 4.120 0.002 0.000 0.290 4 V C 0.763 176.696 176.094 -0.268 0.000 1.030 4 V CA -0.873 61.324 62.300 -0.172 0.000 0.881 4 V CB 1.605 33.264 31.823 -0.273 0.000 0.983 4 V HN 0.671 nan 8.190 nan 0.000 0.445 5 G N 3.103 111.727 108.800 -0.293 0.000 2.356 5 G HA2 0.677 4.639 3.960 0.002 0.000 0.322 5 G HA3 0.677 4.639 3.960 0.002 0.000 0.322 5 G C -1.265 173.367 174.900 -0.446 0.000 1.125 5 G CA -0.294 44.741 45.100 -0.108 0.000 0.885 5 G HN 0.425 nan 8.290 nan 0.000 0.467 6 F N 1.271 121.257 119.950 0.060 0.000 2.449 6 F HA 0.551 5.078 4.527 0.001 0.000 0.342 6 F C -0.114 175.874 175.800 0.313 0.000 1.127 6 F CA -0.696 57.355 58.000 0.086 0.000 0.975 6 F CB 2.151 41.157 39.000 0.009 0.000 1.146 6 F HN 0.141 nan 8.300 nan 0.000 0.444 7 I N 1.606 122.352 120.570 0.292 0.000 2.569 7 I HA 0.649 4.821 4.170 0.002 0.000 0.296 7 I C 0.587 176.762 176.117 0.097 0.000 1.028 7 I CA -0.785 60.601 61.300 0.143 0.000 1.082 7 I CB 1.820 39.630 38.000 -0.316 0.000 1.264 7 I HN 0.735 nan 8.210 nan 0.000 0.429 8 G N 4.066 112.868 108.800 0.003 0.000 2.176 8 G HA2 -0.212 3.749 3.960 0.002 0.000 0.252 8 G HA3 -0.212 3.749 3.960 0.002 0.000 0.252 8 G C 0.546 175.465 174.900 0.032 0.000 1.024 8 G CA 0.543 45.598 45.100 -0.074 0.000 0.755 8 G HN 0.926 nan 8.290 nan 0.000 0.507 9 W N -0.645 120.696 121.300 0.068 0.000 2.678 9 W HA 0.206 4.869 4.660 0.005 0.000 0.256 9 W C 1.336 177.863 176.519 0.014 0.000 1.280 9 W CA 0.602 58.000 57.345 0.088 0.000 1.345 9 W CB -0.454 29.122 29.460 0.194 0.000 1.118 9 W HN 0.357 nan 8.180 nan 0.000 0.629 10 R N 0.694 120.869 120.500 -0.542 0.000 2.300 10 R HA 0.162 4.503 4.340 0.002 0.000 0.199 10 R C 1.599 177.751 176.300 -0.247 0.000 0.920 10 R CA 0.421 56.216 56.100 -0.509 0.000 1.046 10 R CB 0.125 29.960 30.300 -0.774 0.000 0.984 10 R HN 0.044 nan 8.270 nan 0.000 0.493 11 G N 0.347 109.046 108.800 -0.169 0.000 2.588 11 G HA2 0.013 3.974 3.960 0.002 0.000 0.278 11 G HA3 0.013 3.974 3.960 0.002 0.000 0.278 11 G C 0.627 175.496 174.900 -0.053 0.000 1.307 11 G CA -0.526 44.515 45.100 -0.098 0.000 1.016 11 G HN 0.021 nan 8.290 nan 0.000 0.503 12 M N -0.778 118.801 119.600 -0.034 0.000 2.064 12 M HA -0.105 4.377 4.480 0.002 0.000 0.260 12 M C 2.504 178.800 176.300 -0.005 0.000 1.073 12 M CA 1.600 56.889 55.300 -0.019 0.000 1.124 12 M CB -0.329 32.263 32.600 -0.014 0.000 1.326 12 M HN 0.238 nan 8.290 nan 0.000 0.410 13 V N 0.443 120.358 119.914 0.001 0.000 2.343 13 V HA -0.211 3.911 4.120 0.002 0.000 0.247 13 V C 2.574 178.685 176.094 0.028 0.000 1.051 13 V CA 2.085 64.391 62.300 0.009 0.000 1.036 13 V CB -1.803 30.030 31.823 0.017 0.000 0.654 13 V HN 0.764 nan 8.190 nan 0.000 0.451 14 G N -0.680 108.147 108.800 0.045 0.000 2.418 14 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 14 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 14 G C 1.828 176.797 174.900 0.115 0.000 1.158 14 G CA 1.159 46.322 45.100 0.105 0.000 0.771 14 G HN 0.519 nan 8.290 nan 0.000 0.545 15 S N -0.128 115.609 115.700 0.061 0.000 2.402 15 S HA -0.073 4.398 4.470 0.002 0.000 0.229 15 S C 2.458 177.082 174.600 0.040 0.000 1.021 15 S CA 1.017 59.251 58.200 0.056 0.000 0.974 15 S CB -0.075 63.133 63.200 0.013 0.000 0.800 15 S HN 0.197 nan 8.310 nan 0.000 0.484 16 V N 1.612 121.536 119.914 0.017 0.000 2.453 16 V HA -0.071 4.050 4.120 0.002 0.000 0.247 16 V C 2.163 178.249 176.094 -0.013 0.000 1.048 16 V CA 1.161 63.456 62.300 -0.009 0.000 1.049 16 V CB -0.583 31.221 31.823 -0.031 0.000 0.672 16 V HN 0.366 nan 8.190 nan 0.000 0.457 17 L N -0.464 120.766 121.223 0.012 0.000 2.027 17 L HA -0.115 4.226 4.340 0.002 0.000 0.206 17 L C 2.337 179.220 176.870 0.022 0.000 1.074 17 L CA 2.074 56.920 54.840 0.009 0.000 0.745 17 L CB -0.555 41.542 42.059 0.063 0.000 0.898 17 L HN 0.143 nan 8.230 nan 0.000 0.433 18 M N -0.622 119.033 119.600 0.091 0.000 2.117 18 M HA -0.192 4.290 4.480 0.002 0.000 0.262 18 M C 1.963 178.337 176.300 0.124 0.000 1.065 18 M CA 1.515 56.906 55.300 0.153 0.000 1.114 18 M CB -1.399 31.309 32.600 0.180 0.000 1.361 18 M HN 0.286 nan 8.290 nan 0.000 0.408 19 D N -0.267 120.170 120.400 0.062 0.000 2.117 19 D HA -0.103 4.538 4.640 0.002 0.000 0.198 19 D C 2.230 178.536 176.300 0.010 0.000 0.982 19 D CA 0.906 54.928 54.000 0.035 0.000 0.828 19 D CB -0.173 40.635 40.800 0.013 0.000 0.967 19 D HN 0.178 nan 8.370 nan 0.000 0.464 20 R N -0.022 120.462 120.500 -0.027 0.000 2.115 20 R HA 0.080 4.422 4.340 0.002 0.000 0.226 20 R C 2.315 178.563 176.300 -0.086 0.000 1.100 20 R CA 0.420 56.479 56.100 -0.068 0.000 0.980 20 R CB -0.440 29.790 30.300 -0.116 0.000 0.875 20 R HN 0.329 nan 8.270 nan 0.000 0.445 21 M N -0.145 119.387 119.600 -0.114 0.000 2.175 21 M HA -0.093 4.388 4.480 0.002 0.000 0.264 21 M C 2.130 178.348 176.300 -0.136 0.000 1.063 21 M CA 1.386 56.533 55.300 -0.255 0.000 1.119 21 M CB -0.059 32.195 32.600 -0.577 0.000 1.377 21 M HN -0.011 nan 8.290 nan 0.000 0.415 22 S N 0.117 115.862 115.700 0.076 0.000 2.368 22 S HA -0.144 4.327 4.470 0.002 0.000 0.224 22 S C 1.793 176.434 174.600 0.068 0.000 1.029 22 S CA 1.072 59.376 58.200 0.172 0.000 0.988 22 S CB -0.217 63.079 63.200 0.160 0.000 0.838 22 S HN 0.488 nan 8.310 nan 0.000 0.462 23 Q N 0.410 120.225 119.800 0.026 0.000 2.124 23 Q HA -0.067 4.274 4.340 0.002 0.000 0.202 23 Q C 1.301 177.303 176.000 0.004 0.000 0.977 23 Q CA 0.931 56.740 55.803 0.011 0.000 0.850 23 Q CB 0.009 28.745 28.738 -0.002 0.000 0.901 23 Q HN 0.372 nan 8.270 nan 0.000 0.429 24 E N 0.041 120.230 120.200 -0.018 0.000 2.463 24 E HA 0.043 4.395 4.350 0.002 0.000 0.193 24 E C -0.479 176.108 176.600 -0.022 0.000 1.041 24 E CA -0.061 56.326 56.400 -0.022 0.000 0.879 24 E CB 0.032 29.707 29.700 -0.042 0.000 0.997 24 E HN 0.332 nan 8.360 nan 0.000 0.478 25 N N 1.796 120.494 118.700 -0.005 0.000 2.738 25 N HA -0.158 4.583 4.740 0.002 0.000 0.249 25 N C -0.052 175.446 175.510 -0.020 0.000 1.047 25 N CA 0.547 53.609 53.050 0.021 0.000 0.707 25 N CB -0.415 38.089 38.487 0.028 0.000 0.937 25 N HN 0.099 nan 8.380 nan 0.000 0.545 26 D N -0.682 119.642 120.400 -0.127 0.000 2.317 26 D HA -0.031 4.610 4.640 0.002 0.000 0.211 26 D C 1.273 177.445 176.300 -0.214 0.000 0.966 26 D CA 0.812 54.684 54.000 -0.213 0.000 0.876 26 D CB -0.058 40.541 40.800 -0.334 0.000 0.927 26 D HN 0.505 nan 8.370 nan 0.000 0.519 27 F N 1.271 121.214 119.950 -0.012 0.000 2.604 27 F HA 0.030 4.558 4.527 0.001 0.000 0.298 27 F C 2.200 177.998 175.800 -0.003 0.000 1.131 27 F CA 0.458 58.452 58.000 -0.010 0.000 1.457 27 F CB 0.056 39.038 39.000 -0.030 0.000 1.095 27 F HN -0.088 nan 8.300 nan 0.000 0.574 28 E N 0.106 120.390 120.200 0.140 0.000 2.274 28 E HA -0.131 4.220 4.350 0.002 0.000 0.194 28 E C 0.915 177.546 176.600 0.052 0.000 0.996 28 E CA 0.859 57.309 56.400 0.083 0.000 0.840 28 E CB -0.228 29.503 29.700 0.053 0.000 0.772 28 E HN 0.506 nan 8.360 nan 0.000 0.491 29 N N 0.066 118.787 118.700 0.035 0.000 2.280 29 N HA 0.116 4.857 4.740 0.002 0.000 0.192 29 N C -0.514 175.009 175.510 0.021 0.000 1.109 29 N CA 0.093 53.152 53.050 0.015 0.000 0.855 29 N CB 0.419 38.899 38.487 -0.011 0.000 0.974 29 N HN 0.002 nan 8.380 nan 0.000 0.482 30 L N -3.834 117.422 121.223 0.054 0.000 2.491 30 L HA 0.633 4.974 4.340 0.002 0.000 0.254 30 L C -1.303 175.623 176.870 0.093 0.000 1.048 30 L CA -1.152 53.727 54.840 0.065 0.000 0.855 30 L CB 1.150 43.252 42.059 0.072 0.000 1.466 30 L HN -0.253 nan 8.230 nan 0.000 0.409 31 N N 1.594 120.338 118.700 0.073 0.000 2.546 31 N HA 0.427 5.168 4.740 0.002 0.000 0.238 31 N C -2.673 172.872 175.510 0.058 0.000 0.984 31 N CA -1.153 51.931 53.050 0.057 0.000 0.935 31 N CB 1.349 39.856 38.487 0.033 0.000 1.122 31 N HN 0.561 nan 8.380 nan 0.000 0.510 32 P HA 0.187 nan 4.420 nan 0.000 0.286 32 P C -0.600 176.541 177.300 -0.265 0.000 1.269 32 P CA -0.330 62.748 63.100 -0.038 0.000 0.787 32 P CB 1.385 33.019 31.700 -0.111 0.000 0.920 33 V N 5.037 124.780 119.914 -0.285 0.000 2.407 33 V HA 0.337 4.459 4.120 0.002 0.000 0.291 33 V C -0.127 175.717 176.094 -0.418 0.000 1.018 33 V CA -0.443 61.678 62.300 -0.298 0.000 0.842 33 V CB 0.695 32.444 31.823 -0.124 0.000 0.996 33 V HN 0.355 nan 8.190 nan 0.000 0.426 34 F N 4.714 124.524 119.950 -0.234 0.000 2.411 34 F HA 0.653 5.180 4.527 0.001 0.000 0.350 34 F C -0.005 175.662 175.800 -0.221 0.000 1.114 34 F CA -0.259 57.591 58.000 -0.250 0.000 1.135 34 F CB 0.963 39.589 39.000 -0.624 0.000 1.120 34 F HN 0.297 nan 8.300 nan 0.000 0.495 35 F N 0.743 120.914 119.950 0.370 0.000 2.523 35 F HA 0.658 5.187 4.527 0.003 0.000 0.329 35 F C 0.378 176.379 175.800 0.336 0.000 1.061 35 F CA -0.687 57.474 58.000 0.268 0.000 0.967 35 F CB 2.173 41.236 39.000 0.105 0.000 1.218 35 F HN 0.286 nan 8.300 nan 0.000 0.480 36 T N -1.148 113.596 114.554 0.318 0.000 2.883 36 T HA 0.348 4.699 4.350 0.002 0.000 0.301 36 T C 0.418 175.118 174.700 -0.000 0.000 1.158 36 T CA -0.125 62.049 62.100 0.123 0.000 1.007 36 T CB 1.374 70.310 68.868 0.114 0.000 1.186 36 T HN 0.758 nan 8.240 nan 0.000 0.499 37 T N -0.262 114.252 114.554 -0.068 0.000 3.037 37 T HA 0.256 4.608 4.350 0.002 0.000 0.251 37 T C 1.170 175.947 174.700 0.128 0.000 1.079 37 T CA 0.191 62.262 62.100 -0.049 0.000 1.067 37 T CB 0.019 68.883 68.868 -0.007 0.000 0.948 37 T HN 0.479 nan 8.240 nan 0.000 0.496 38 S N 0.972 116.712 115.700 0.067 0.000 2.572 38 S HA 0.118 4.590 4.470 0.002 0.000 0.279 38 S C 0.735 175.392 174.600 0.094 0.000 1.341 38 S CA -0.395 57.847 58.200 0.071 0.000 1.043 38 S CB 0.678 63.892 63.200 0.024 0.000 0.887 38 S HN 0.514 nan 8.310 nan 0.000 0.516 39 Q N 1.669 121.520 119.800 0.085 0.000 2.198 39 Q HA 0.314 4.656 4.340 0.002 0.000 0.209 39 Q C 0.330 176.363 176.000 0.054 0.000 0.848 39 Q CA -0.327 55.525 55.803 0.081 0.000 0.974 39 Q CB 0.718 29.504 28.738 0.081 0.000 1.115 39 Q HN 0.730 nan 8.270 nan 0.000 0.494 56 K N 0.589 120.900 120.400 -0.147 0.000 2.221 56 K HA 0.574 4.895 4.320 0.002 0.000 0.243 56 K C -0.494 176.155 176.600 0.082 0.000 0.968 56 K CA -0.732 55.476 56.287 -0.133 0.000 0.846 56 K CB 2.181 34.434 32.500 -0.410 0.000 1.141 56 K HN 0.430 nan 8.250 nan 0.000 0.434 57 S N 0.733 116.554 115.700 0.201 0.000 2.505 57 S HA 0.172 4.644 4.470 0.002 0.000 0.276 57 S C 0.931 175.750 174.600 0.366 0.000 1.274 57 S CA -0.382 57.969 58.200 0.252 0.000 1.053 57 S CB 0.762 64.098 63.200 0.227 0.000 0.919 57 S HN 0.675 nan 8.310 nan 0.000 0.490 58 A N 4.749 127.649 122.820 0.133 0.000 2.172 58 A HA 0.127 4.448 4.320 0.002 0.000 0.216 58 A C 0.921 178.433 177.584 -0.120 0.000 1.154 58 A CA 0.922 52.913 52.037 -0.076 0.000 0.701 58 A CB -0.470 18.321 19.000 -0.347 0.000 0.789 58 A HN 0.829 nan 8.150 nan 0.000 0.465 59 F N -0.352 119.741 119.950 0.238 0.000 2.695 59 F HA 0.196 4.725 4.527 0.003 0.000 0.303 59 F C 0.596 176.445 175.800 0.081 0.000 1.091 59 F CA -1.063 57.021 58.000 0.140 0.000 1.300 59 F CB 0.225 39.300 39.000 0.124 0.000 1.071 59 F HN 0.080 nan 8.300 nan 0.000 0.578 60 D N 1.962 122.502 120.400 0.234 0.000 2.402 60 D HA 0.065 4.706 4.640 0.002 0.000 0.235 60 D C 1.531 177.884 176.300 0.088 0.000 1.226 60 D CA 0.176 54.277 54.000 0.169 0.000 0.918 60 D CB 0.509 41.429 40.800 0.199 0.000 1.043 60 D HN 0.001 nan 8.370 nan 0.000 0.506 61 I N 2.637 123.233 120.570 0.044 0.000 2.335 61 I HA -0.211 3.961 4.170 0.002 0.000 0.251 61 I C 1.978 178.074 176.117 -0.034 0.000 1.129 61 I CA 0.967 62.248 61.300 -0.032 0.000 1.402 61 I CB -0.510 37.466 38.000 -0.039 0.000 1.069 61 I HN 0.417 nan 8.210 nan 0.000 0.424 62 E N 0.606 120.817 120.200 0.019 0.000 2.152 62 E HA -0.150 4.201 4.350 0.002 0.000 0.192 62 E C 1.992 178.628 176.600 0.060 0.000 0.983 62 E CA 0.664 57.084 56.400 0.034 0.000 0.818 62 E CB -0.065 29.662 29.700 0.045 0.000 0.758 62 E HN 0.463 nan 8.360 nan 0.000 0.467 63 E N 0.410 120.671 120.200 0.102 0.000 2.216 63 E HA -0.008 4.343 4.350 0.002 0.000 0.192 63 E C 2.204 178.916 176.600 0.187 0.000 0.988 63 E CA 0.273 56.781 56.400 0.181 0.000 0.834 63 E CB 0.033 29.910 29.700 0.296 0.000 0.772 63 E HN 0.279 nan 8.360 nan 0.000 0.479 64 L N 0.314 121.547 121.223 0.018 0.000 2.341 64 L HA 0.013 4.354 4.340 0.002 0.000 0.214 64 L C 2.435 179.165 176.870 -0.234 0.000 1.115 64 L CA 0.573 55.302 54.840 -0.184 0.000 0.820 64 L CB -0.099 41.739 42.059 -0.368 0.000 0.944 64 L HN -0.031 nan 8.230 nan 0.000 0.452 65 K N 0.696 121.014 120.400 -0.137 0.000 2.217 65 K HA -0.127 4.195 4.320 0.002 0.000 0.202 65 K C 1.831 178.558 176.600 0.212 0.000 1.051 65 K CA 0.944 57.215 56.287 -0.027 0.000 0.952 65 K CB 0.213 32.730 32.500 0.029 0.000 0.736 65 K HN 0.229 nan 8.250 nan 0.000 0.453 66 K N 0.237 120.732 120.400 0.159 0.000 2.288 66 K HA 0.016 4.337 4.320 0.002 0.000 0.201 66 K C 0.374 177.102 176.600 0.213 0.000 1.048 66 K CA 0.318 56.708 56.287 0.171 0.000 0.956 66 K CB 0.051 32.630 32.500 0.130 0.000 0.746 66 K HN 0.089 nan 8.250 nan 0.000 0.461 67 L N 1.424 122.809 121.223 0.270 0.000 2.395 67 L HA 0.024 4.365 4.340 0.002 0.000 0.269 67 L C 1.002 178.112 176.870 0.400 0.000 1.133 67 L CA -0.282 54.731 54.840 0.289 0.000 0.812 67 L CB 0.693 42.894 42.059 0.237 0.000 1.125 67 L HN 0.048 nan 8.230 nan 0.000 0.452 68 D N 1.821 122.365 120.400 0.241 0.000 2.216 68 D HA 0.190 4.831 4.640 0.002 0.000 0.208 68 D C 0.329 176.769 176.300 0.233 0.000 0.960 68 D CA 1.302 55.408 54.000 0.176 0.000 0.861 68 D CB 0.712 41.580 40.800 0.114 0.000 0.985 68 D HN 0.283 nan 8.370 nan 0.000 0.493 69 I N 0.696 121.399 120.570 0.222 0.000 2.647 69 I HA 0.339 4.510 4.170 0.002 0.000 0.295 69 I C -0.757 175.419 176.117 0.098 0.000 1.078 69 I CA -0.653 60.766 61.300 0.198 0.000 1.048 69 I CB 3.145 41.158 38.000 0.022 0.000 1.239 69 I HN -0.305 nan 8.210 nan 0.000 0.421 70 I N 5.574 126.201 120.570 0.095 0.000 2.447 70 I HA 0.418 4.589 4.170 0.002 0.000 0.287 70 I C -1.008 174.875 176.117 -0.391 0.000 1.023 70 I CA -0.823 60.353 61.300 -0.207 0.000 1.083 70 I CB 2.122 39.969 38.000 -0.255 0.000 1.245 70 I HN 0.153 nan 8.210 nan 0.000 0.434 71 V N 4.833 124.456 119.914 -0.485 0.000 2.378 71 V HA 0.422 4.543 4.120 0.002 0.000 0.288 71 V C -0.044 175.883 176.094 -0.279 0.000 1.016 71 V CA -0.421 61.655 62.300 -0.374 0.000 0.840 71 V CB 1.603 33.218 31.823 -0.347 0.000 0.994 71 V HN 0.748 nan 8.190 nan 0.000 0.431 72 T N 3.829 118.209 114.554 -0.291 0.000 2.824 72 T HA 0.367 4.719 4.350 0.002 0.000 0.282 72 T C 0.039 174.716 174.700 -0.040 0.000 0.993 72 T CA -0.224 61.768 62.100 -0.180 0.000 0.967 72 T CB 0.975 69.686 68.868 -0.262 0.000 0.960 72 T HN 0.715 nan 8.240 nan 0.000 0.441 73 C N 4.090 123.393 119.300 0.005 0.000 3.240 73 C HA 0.278 4.740 4.460 0.002 0.000 0.271 73 C C 1.894 176.887 174.990 0.005 0.000 1.534 73 C CA -0.499 58.539 59.018 0.032 0.000 1.796 73 C CB -0.633 27.143 27.740 0.061 0.000 2.892 73 C HN 0.950 nan 8.230 nan 0.000 0.566 74 Q N 1.961 121.734 119.800 -0.045 0.000 2.123 74 Q HA 0.319 4.660 4.340 0.002 0.000 0.199 74 Q C 1.064 177.083 176.000 0.031 0.000 0.966 74 Q CA 1.896 57.641 55.803 -0.096 0.000 0.845 74 Q CB 0.022 28.523 28.738 -0.396 0.000 0.907 74 Q HN 0.703 nan 8.270 nan 0.000 0.439 75 G N -3.357 105.512 108.800 0.116 0.000 2.355 75 G HA2 0.132 4.093 3.960 0.002 0.000 0.619 75 G HA3 0.132 4.093 3.960 0.002 0.000 0.619 75 G C 0.401 175.428 174.900 0.212 0.000 1.337 75 G CA -0.299 44.888 45.100 0.144 0.000 0.993 75 G HN 0.269 nan 8.290 nan 0.000 0.599 76 G N -0.710 108.187 108.800 0.161 0.000 2.422 76 G HA2 0.001 3.962 3.960 0.002 0.000 0.218 76 G HA3 0.001 3.962 3.960 0.002 0.000 0.218 76 G C 1.149 176.138 174.900 0.149 0.000 1.146 76 G CA 1.996 47.184 45.100 0.146 0.000 0.769 76 G HN 0.669 nan 8.290 nan 0.000 0.547 77 D N -0.921 119.572 120.400 0.155 0.000 2.178 77 D HA -0.093 4.549 4.640 0.002 0.000 0.202 77 D C 1.813 178.235 176.300 0.204 0.000 0.974 77 D CA 0.596 54.684 54.000 0.146 0.000 0.841 77 D CB -0.222 40.657 40.800 0.132 0.000 0.953 77 D HN 0.445 nan 8.370 nan 0.000 0.478 78 Y N 1.203 121.598 120.300 0.158 0.000 2.206 78 Y HA -0.146 4.406 4.550 0.002 0.000 0.292 78 Y C 2.252 178.292 175.900 0.233 0.000 1.123 78 Y CA 1.522 59.755 58.100 0.221 0.000 1.142 78 Y CB -0.473 38.103 38.460 0.193 0.000 1.006 78 Y HN -0.153 nan 8.280 nan 0.000 0.518 79 T N 1.263 115.975 114.554 0.264 0.000 2.684 79 T HA -0.197 4.155 4.350 0.002 0.000 0.267 79 T C 1.554 176.241 174.700 -0.023 0.000 1.036 79 T CA 1.711 63.926 62.100 0.192 0.000 1.148 79 T CB -0.372 68.669 68.868 0.288 0.000 0.863 79 T HN 0.410 nan 8.240 nan 0.000 0.436 80 N N 0.742 119.449 118.700 0.011 0.000 2.453 80 N HA -0.062 4.679 4.740 0.002 0.000 0.183 80 N C 1.789 177.280 175.510 -0.033 0.000 1.041 80 N CA 0.689 53.732 53.050 -0.012 0.000 0.900 80 N CB -0.052 38.441 38.487 0.010 0.000 0.961 80 N HN 0.614 nan 8.380 nan 0.000 0.443 81 E N 0.203 120.372 120.200 -0.051 0.000 2.079 81 E HA 0.019 4.370 4.350 0.002 0.000 0.191 81 E C 1.646 178.174 176.600 -0.120 0.000 0.961 81 E CA 0.276 56.636 56.400 -0.067 0.000 0.823 81 E CB 0.360 30.044 29.700 -0.026 0.000 0.789 81 E HN -0.061 nan 8.360 nan 0.000 0.459 82 V N 0.776 120.556 119.914 -0.224 0.000 2.446 82 V HA -0.180 3.941 4.120 0.002 0.000 0.244 82 V C 2.095 178.030 176.094 -0.265 0.000 1.039 82 V CA 1.604 63.751 62.300 -0.254 0.000 1.045 82 V CB -0.591 30.948 31.823 -0.474 0.000 0.681 82 V HN 0.378 nan 8.190 nan 0.000 0.459 83 Y N 2.788 122.757 120.300 -0.551 0.000 2.114 83 Y HA -0.164 4.387 4.550 0.002 0.000 0.282 83 Y C 0.143 175.784 175.900 -0.432 0.000 1.165 83 Y CA 2.412 60.036 58.100 -0.792 0.000 1.148 83 Y CB -1.384 36.386 38.460 -1.149 0.000 0.972 83 Y HN 0.297 nan 8.280 nan 0.000 0.504 84 P HA -0.143 nan 4.420 nan 0.000 0.221 84 P C 0.838 177.997 177.300 -0.236 0.000 1.150 84 P CA 1.794 64.736 63.100 -0.262 0.000 0.800 84 P CB -0.023 31.608 31.700 -0.115 0.000 0.787 85 K N -0.654 119.627 120.400 -0.198 0.000 2.057 85 K HA -0.077 4.244 4.320 0.002 0.000 0.206 85 K C 2.160 178.659 176.600 -0.168 0.000 1.050 85 K CA 0.799 56.996 56.287 -0.150 0.000 0.935 85 K CB -0.597 31.834 32.500 -0.114 0.000 0.715 85 K HN 0.060 nan 8.250 nan 0.000 0.439 86 L N 1.552 122.630 121.223 -0.241 0.000 2.109 86 L HA -0.086 4.256 4.340 0.002 0.000 0.207 86 L C 1.698 178.465 176.870 -0.171 0.000 1.086 86 L CA 1.718 56.402 54.840 -0.259 0.000 0.760 86 L CB -0.055 41.759 42.059 -0.407 0.000 0.910 86 L HN -0.070 nan 8.230 nan 0.000 0.437 87 K N -0.333 119.905 120.400 -0.271 0.000 2.366 87 K HA 0.150 4.471 4.320 0.002 0.000 0.198 87 K C 1.798 178.322 176.600 -0.126 0.000 1.044 87 K CA 0.914 57.079 56.287 -0.204 0.000 0.973 87 K CB -0.166 32.050 32.500 -0.474 0.000 0.767 87 K HN 0.399 nan 8.250 nan 0.000 0.475 88 A N 1.238 123.980 122.820 -0.130 0.000 2.208 88 A HA -0.047 4.274 4.320 0.002 0.000 0.209 88 A C 1.914 179.470 177.584 -0.047 0.000 1.161 88 A CA 1.266 53.252 52.037 -0.085 0.000 0.782 88 A CB -0.410 18.537 19.000 -0.089 0.000 0.816 88 A HN 0.363 nan 8.150 nan 0.000 0.477 89 T N -5.129 109.408 114.554 -0.029 0.000 3.081 89 T HA 0.404 4.755 4.350 0.002 0.000 0.250 89 T C 1.321 176.041 174.700 0.034 0.000 1.100 89 T CA 1.083 63.184 62.100 0.002 0.000 1.038 89 T CB 0.214 69.084 68.868 0.003 0.000 0.962 89 T HN 1.520 nan 8.240 nan 0.000 0.516 90 G N 0.709 109.534 108.800 0.041 0.000 2.144 90 G HA2 -0.225 3.736 3.960 0.002 0.000 0.218 90 G HA3 -0.225 3.736 3.960 0.002 0.000 0.218 90 G C -0.192 174.765 174.900 0.094 0.000 0.988 90 G CA -0.323 44.802 45.100 0.042 0.000 0.659 90 G HN 0.669 nan 8.290 nan 0.000 0.522 91 W N 1.728 122.986 121.300 -0.070 0.000 2.347 91 W HA 0.490 5.151 4.660 0.001 0.000 0.333 91 W C 0.616 177.095 176.519 -0.067 0.000 1.383 91 W CA 0.572 57.885 57.345 -0.053 0.000 1.283 91 W CB 0.615 30.050 29.460 -0.042 0.000 1.253 91 W HN 0.113 nan 8.180 nan 0.000 0.563 92 D N 3.588 123.717 120.400 -0.453 0.000 2.340 92 D HA 0.181 4.823 4.640 0.002 0.000 0.217 92 D C 1.064 176.835 176.300 -0.882 0.000 1.081 92 D CA 0.290 53.969 54.000 -0.535 0.000 0.842 92 D CB -0.127 40.494 40.800 -0.297 0.000 0.934 92 D HN 0.371 nan 8.370 nan 0.000 0.511 93 G N -0.753 107.050 108.800 -1.662 0.000 2.563 93 G HA2 0.288 4.249 3.960 0.002 0.000 0.283 93 G HA3 0.288 4.249 3.960 0.002 0.000 0.283 93 G C -0.837 173.347 174.900 -1.194 0.000 1.309 93 G CA -0.481 43.781 45.100 -1.396 0.000 1.022 93 G HN 0.110 nan 8.290 nan 0.000 0.501 94 Y N -0.713 119.377 120.300 -0.349 0.000 2.320 94 Y HA 0.316 4.867 4.550 0.001 0.000 0.334 94 Y C -0.088 176.056 175.900 0.407 0.000 1.055 94 Y CA -0.585 57.549 58.100 0.056 0.000 1.143 94 Y CB 1.403 39.916 38.460 0.089 0.000 1.193 94 Y HN 0.458 nan 8.280 nan 0.000 0.477 95 W N 5.895 127.489 121.300 0.491 0.000 2.329 95 W HA 0.598 5.260 4.660 0.002 0.000 0.312 95 W C -1.875 174.842 176.519 0.330 0.000 1.054 95 W CA -0.893 56.742 57.345 0.483 0.000 1.245 95 W CB 1.327 31.128 29.460 0.569 0.000 1.255 95 W HN 0.208 nan 8.180 nan 0.000 0.436 96 V N 6.959 126.904 119.914 0.052 0.000 2.357 96 V HA 0.205 4.326 4.120 0.002 0.000 0.284 96 V C -0.264 175.759 176.094 -0.118 0.000 1.018 96 V CA -0.251 62.081 62.300 0.053 0.000 0.841 96 V CB 1.384 33.210 31.823 0.005 0.000 0.991 96 V HN 0.412 nan 8.190 nan 0.000 0.437 97 D N 2.959 123.396 120.400 0.063 0.000 2.457 97 D HA 0.700 5.341 4.640 0.002 0.000 0.240 97 D C 0.419 176.775 176.300 0.094 0.000 1.041 97 D CA -0.201 53.847 54.000 0.079 0.000 0.861 97 D CB 2.774 43.747 40.800 0.288 0.000 1.394 97 D HN 0.461 nan 8.370 nan 0.000 0.473 98 A N 1.721 124.589 122.820 0.080 0.000 2.063 98 A HA 0.499 4.820 4.320 0.002 0.000 0.211 98 A C 0.999 178.637 177.584 0.090 0.000 1.177 98 A CA 0.658 52.740 52.037 0.074 0.000 0.759 98 A CB -0.073 18.960 19.000 0.056 0.000 0.857 98 A HN 0.552 nan 8.150 nan 0.000 0.468 99 A N 0.313 123.199 122.820 0.111 0.000 2.366 99 A HA 0.436 4.758 4.320 0.002 0.000 0.249 99 A C 1.608 179.255 177.584 0.105 0.000 1.084 99 A CA 0.412 52.517 52.037 0.114 0.000 0.794 99 A CB 0.148 19.232 19.000 0.139 0.000 1.034 99 A HN 0.922 nan 8.150 nan 0.000 0.491 100 S N 1.180 116.939 115.700 0.097 0.000 2.428 100 S HA 0.008 4.480 4.470 0.002 0.000 0.230 100 S C 1.984 176.629 174.600 0.076 0.000 1.014 100 S CA 1.174 59.430 58.200 0.093 0.000 0.957 100 S CB -0.868 62.395 63.200 0.106 0.000 0.784 100 S HN 1.616 nan 8.310 nan 0.000 0.499 101 A N 2.410 125.269 122.820 0.066 0.000 1.957 101 A HA -0.185 4.137 4.320 0.002 0.000 0.224 101 A C 2.122 179.698 177.584 -0.013 0.000 1.287 101 A CA 2.259 54.314 52.037 0.030 0.000 0.682 101 A CB -1.049 17.968 19.000 0.028 0.000 0.833 101 A HN 0.645 nan 8.150 nan 0.000 0.482 102 L N -2.420 118.779 121.223 -0.039 0.000 2.693 102 L HA 0.151 4.492 4.340 0.002 0.000 0.235 102 L C 2.285 179.132 176.870 -0.038 0.000 1.127 102 L CA -0.095 54.688 54.840 -0.095 0.000 0.914 102 L CB -0.146 41.759 42.059 -0.257 0.000 1.193 102 L HN 0.296 nan 8.230 nan 0.000 0.502 103 R N 0.542 121.048 120.500 0.011 0.000 2.103 103 R HA -0.116 4.226 4.340 0.002 0.000 0.242 103 R C 1.126 177.432 176.300 0.009 0.000 1.142 103 R CA 1.260 57.372 56.100 0.020 0.000 0.960 103 R CB -0.136 30.192 30.300 0.047 0.000 0.858 103 R HN 0.244 nan 8.270 nan 0.000 0.439 104 M N 1.118 120.740 119.600 0.036 0.000 2.631 104 M HA 0.144 4.625 4.480 0.002 0.000 0.241 104 M C -0.446 175.866 176.300 0.021 0.000 1.255 104 M CA 0.119 55.443 55.300 0.041 0.000 0.983 104 M CB 0.018 32.692 32.600 0.123 0.000 1.580 104 M HN -0.191 nan 8.290 nan 0.000 0.464 105 K N 0.837 121.233 120.400 -0.006 0.000 2.098 105 K HA 0.221 4.543 4.320 0.002 0.000 0.258 105 K C 0.552 177.137 176.600 -0.025 0.000 0.973 105 K CA -0.376 55.903 56.287 -0.013 0.000 0.898 105 K CB 1.326 33.812 32.500 -0.023 0.000 1.057 105 K HN 0.022 nan 8.250 nan 0.000 0.447 106 D N 0.916 121.305 120.400 -0.019 0.000 2.178 106 D HA -0.142 4.499 4.640 0.002 0.000 0.202 106 D C 0.654 176.928 176.300 -0.043 0.000 0.974 106 D CA 1.273 55.257 54.000 -0.028 0.000 0.841 106 D CB 0.198 40.987 40.800 -0.018 0.000 0.953 106 D HN 0.567 nan 8.370 nan 0.000 0.478 107 D N 0.051 120.427 120.400 -0.039 0.000 2.395 107 D HA 0.261 4.902 4.640 0.002 0.000 0.226 107 D C -0.098 176.145 176.300 -0.094 0.000 1.146 107 D CA -0.286 53.682 54.000 -0.054 0.000 0.830 107 D CB 0.053 40.840 40.800 -0.022 0.000 0.958 107 D HN -0.031 nan 8.370 nan 0.000 0.501 108 A N 0.224 122.975 122.820 -0.115 0.000 2.414 108 A HA 0.685 5.006 4.320 0.002 0.000 0.306 108 A C -0.941 176.531 177.584 -0.185 0.000 1.054 108 A CA -0.779 51.158 52.037 -0.167 0.000 0.724 108 A CB 1.532 20.471 19.000 -0.102 0.000 1.267 108 A HN 0.215 nan 8.150 nan 0.000 0.418 109 I N 2.119 122.522 120.570 -0.278 0.000 2.509 109 I HA 0.362 4.533 4.170 0.002 0.000 0.293 109 I C -0.734 175.366 176.117 -0.028 0.000 1.020 109 I CA -0.632 60.569 61.300 -0.165 0.000 1.088 109 I CB 1.935 39.816 38.000 -0.199 0.000 1.267 109 I HN 0.536 nan 8.210 nan 0.000 0.430 110 I N 6.679 127.258 120.570 0.015 0.000 2.312 110 I HA 0.172 4.343 4.170 0.002 0.000 0.291 110 I C 0.136 176.310 176.117 0.094 0.000 1.031 110 I CA -0.692 60.638 61.300 0.051 0.000 1.293 110 I CB 1.040 39.047 38.000 0.012 0.000 1.403 110 I HN 0.260 nan 8.210 nan 0.000 0.484 111 V N 5.764 125.762 119.914 0.139 0.000 2.567 111 V HA 0.616 4.737 4.120 0.002 0.000 0.289 111 V C -0.374 175.782 176.094 0.103 0.000 1.049 111 V CA -0.531 61.856 62.300 0.144 0.000 0.969 111 V CB 1.608 33.535 31.823 0.173 0.000 0.995 111 V HN 0.664 nan 8.190 nan 0.000 0.471 112 L N 4.830 126.109 121.223 0.094 0.000 2.378 112 L HA 0.267 4.608 4.340 0.002 0.000 0.256 112 L C 0.930 177.846 176.870 0.075 0.000 1.316 112 L CA 0.507 55.401 54.840 0.091 0.000 0.835 112 L CB 0.560 42.650 42.059 0.052 0.000 0.987 112 L HN 0.940 nan 8.230 nan 0.000 0.534 113 D N 0.407 120.861 120.400 0.090 0.000 2.203 113 D HA -0.193 4.449 4.640 0.002 0.000 0.199 113 D C -1.223 175.122 176.300 0.075 0.000 0.997 113 D CA 1.411 55.458 54.000 0.078 0.000 0.863 113 D CB -0.533 40.308 40.800 0.068 0.000 0.928 113 D HN 0.418 nan 8.370 nan 0.000 0.458 114 P HA -0.005 nan 4.420 nan 0.000 0.229 114 P C 1.609 178.944 177.300 0.059 0.000 1.160 114 P CA 0.450 63.584 63.100 0.057 0.000 0.777 114 P CB 0.305 32.026 31.700 0.035 0.000 0.814 115 V N -0.133 119.846 119.914 0.110 0.000 2.627 115 V HA 0.047 4.169 4.120 0.002 0.000 0.239 115 V C 1.149 177.309 176.094 0.110 0.000 1.077 115 V CA 1.353 63.757 62.300 0.174 0.000 1.103 115 V CB -0.648 31.217 31.823 0.070 0.000 0.802 115 V HN 0.214 nan 8.190 nan 0.000 0.482 116 N N 0.332 119.077 118.700 0.075 0.000 2.610 116 N HA 0.095 4.836 4.740 0.002 0.000 0.309 116 N C 0.888 176.453 175.510 0.092 0.000 1.536 116 N CA -0.208 52.889 53.050 0.078 0.000 0.954 116 N CB 0.826 39.344 38.487 0.051 0.000 1.310 116 N HN 0.253 nan 8.380 nan 0.000 0.502 117 Q N 0.279 120.135 119.800 0.093 0.000 2.124 117 Q HA -0.153 4.188 4.340 0.002 0.000 0.202 117 Q C 1.611 177.665 176.000 0.090 0.000 0.977 117 Q CA 1.605 57.456 55.803 0.079 0.000 0.850 117 Q CB -0.546 28.232 28.738 0.067 0.000 0.901 117 Q HN 0.660 nan 8.270 nan 0.000 0.429 118 H N -0.899 118.193 119.070 0.037 0.000 2.421 118 H HA -0.053 4.504 4.556 0.002 0.000 0.298 118 H C 1.601 176.956 175.328 0.046 0.000 1.087 118 H CA 1.644 57.714 56.048 0.036 0.000 1.330 118 H CB 0.447 30.226 29.762 0.029 0.000 1.388 118 H HN 0.209 nan 8.280 nan 0.000 0.526 119 V N 0.984 120.945 119.914 0.077 0.000 2.453 119 V HA -0.206 3.916 4.120 0.002 0.000 0.247 119 V C 2.740 178.868 176.094 0.057 0.000 1.048 119 V CA 1.350 63.678 62.300 0.048 0.000 1.049 119 V CB -0.373 31.492 31.823 0.071 0.000 0.672 119 V HN 0.320 nan 8.190 nan 0.000 0.457 120 I N 0.005 120.633 120.570 0.097 0.000 2.202 120 I HA -0.187 3.984 4.170 0.002 0.000 0.242 120 I C 2.592 178.779 176.117 0.118 0.000 1.091 120 I CA 1.492 62.904 61.300 0.186 0.000 1.368 120 I CB -0.417 37.654 38.000 0.118 0.000 1.058 120 I HN 0.220 nan 8.210 nan 0.000 0.410 121 S N 0.263 115.967 115.700 0.006 0.000 2.383 121 S HA -0.166 4.306 4.470 0.002 0.000 0.229 121 S C 1.876 176.448 174.600 -0.047 0.000 1.030 121 S CA 1.179 59.357 58.200 -0.037 0.000 1.002 121 S CB -0.220 62.934 63.200 -0.077 0.000 0.829 121 S HN 0.397 nan 8.310 nan 0.000 0.467 122 E N 0.639 120.775 120.200 -0.107 0.000 2.208 122 E HA 0.006 4.357 4.350 0.002 0.000 0.193 122 E C 2.199 178.802 176.600 0.004 0.000 0.988 122 E CA 0.729 57.074 56.400 -0.092 0.000 0.828 122 E CB -0.510 29.096 29.700 -0.158 0.000 0.763 122 E HN 0.560 nan 8.360 nan 0.000 0.478 123 G N 0.661 109.503 108.800 0.071 0.000 2.430 123 G HA2 -0.125 3.837 3.960 0.002 0.000 0.216 123 G HA3 -0.125 3.837 3.960 0.002 0.000 0.216 123 G C 1.662 176.691 174.900 0.216 0.000 1.146 123 G CA -0.037 45.136 45.100 0.120 0.000 0.793 123 G HN 0.154 nan 8.290 nan 0.000 0.537 124 L N -0.322 121.052 121.223 0.251 0.000 2.291 124 L HA 0.054 4.395 4.340 0.002 0.000 0.214 124 L C 2.807 179.757 176.870 0.134 0.000 1.120 124 L CA 0.860 55.843 54.840 0.237 0.000 0.799 124 L CB -0.070 42.059 42.059 0.116 0.000 0.925 124 L HN 0.172 nan 8.230 nan 0.000 0.446 125 K N -0.342 120.103 120.400 0.076 0.000 2.098 125 K HA -0.090 4.231 4.320 0.002 0.000 0.203 125 K C 2.109 178.728 176.600 0.033 0.000 1.051 125 K CA 0.486 56.797 56.287 0.040 0.000 0.957 125 K CB 0.028 32.535 32.500 0.012 0.000 0.738 125 K HN 0.034 nan 8.250 nan 0.000 0.447 126 K N 0.179 120.597 120.400 0.031 0.000 2.209 126 K HA -0.120 4.201 4.320 0.002 0.000 0.204 126 K C 0.623 177.228 176.600 0.008 0.000 1.048 126 K CA 1.424 57.719 56.287 0.013 0.000 0.940 126 K CB 0.172 32.674 32.500 0.004 0.000 0.729 126 K HN 0.411 nan 8.250 nan 0.000 0.451 127 G N 0.877 109.695 108.800 0.029 0.000 2.151 127 G HA2 -0.149 3.813 3.960 0.002 0.000 0.156 127 G HA3 -0.149 3.813 3.960 0.002 0.000 0.156 127 G C -0.077 174.812 174.900 -0.017 0.000 1.017 127 G CA -0.257 44.845 45.100 0.003 0.000 0.686 127 G HN 0.197 nan 8.290 nan 0.000 0.503 128 I N 0.752 121.334 120.570 0.020 0.000 2.471 128 I HA 0.227 4.398 4.170 0.002 0.000 0.286 128 I C 1.211 177.342 176.117 0.023 0.000 1.079 128 I CA -0.236 61.028 61.300 -0.060 0.000 1.398 128 I CB 1.063 38.951 38.000 -0.186 0.000 1.403 128 I HN -0.105 nan 8.210 nan 0.000 0.530 129 K N 3.659 124.025 120.400 -0.056 0.000 2.358 129 K HA 0.199 4.520 4.320 0.002 0.000 0.200 129 K C -0.032 176.705 176.600 0.228 0.000 1.030 129 K CA 0.278 56.550 56.287 -0.025 0.000 1.097 129 K CB 0.571 32.904 32.500 -0.279 0.000 0.862 129 K HN 0.488 nan 8.250 nan 0.000 0.534 130 T N 1.589 116.170 114.554 0.046 0.000 2.791 130 T HA 0.494 4.845 4.350 0.002 0.000 0.288 130 T C -0.774 173.826 174.700 -0.168 0.000 0.999 130 T CA -0.384 61.801 62.100 0.141 0.000 0.952 130 T CB 0.364 69.306 68.868 0.123 0.000 0.938 130 T HN -0.161 nan 8.240 nan 0.000 0.444 131 F N 2.395 122.480 119.950 0.225 0.000 2.477 131 F HA 0.598 5.126 4.527 0.003 0.000 0.335 131 F C -0.120 175.756 175.800 0.126 0.000 1.130 131 F CA -0.967 57.118 58.000 0.142 0.000 0.948 131 F CB 1.602 40.668 39.000 0.110 0.000 1.154 131 F HN 0.209 nan 8.300 nan 0.000 0.439 132 V N 2.162 122.201 119.914 0.208 0.000 2.604 132 V HA 0.705 4.827 4.120 0.002 0.000 0.305 132 V C 0.388 176.559 176.094 0.129 0.000 1.043 132 V CA -1.127 61.266 62.300 0.156 0.000 0.888 132 V CB 1.660 33.546 31.823 0.105 0.000 0.995 132 V HN 0.873 nan 8.190 nan 0.000 0.429 133 G N 2.066 110.932 108.800 0.110 0.000 2.483 133 G HA2 0.502 4.464 3.960 0.002 0.000 0.248 133 G HA3 0.502 4.464 3.960 0.002 0.000 0.248 133 G C 0.377 175.325 174.900 0.080 0.000 1.248 133 G CA 0.278 45.432 45.100 0.089 0.000 0.838 133 G HN 1.088 nan 8.290 nan 0.000 0.566 134 G N 0.314 109.157 108.800 0.073 0.000 2.547 134 G HA2 0.366 4.327 3.960 0.002 0.000 0.291 134 G HA3 0.366 4.327 3.960 0.002 0.000 0.291 134 G C 0.397 175.340 174.900 0.071 0.000 1.211 134 G CA -0.481 44.655 45.100 0.061 0.000 0.950 134 G HN 0.855 nan 8.290 nan 0.000 0.504 138 V N 2.373 122.349 119.914 0.104 0.000 2.358 138 V HA -0.126 3.995 4.120 0.002 0.000 0.246 138 V C 2.619 178.733 176.094 0.034 0.000 1.047 138 V CA 2.529 64.859 62.300 0.050 0.000 1.035 138 V CB -0.724 31.102 31.823 0.005 0.000 0.658 138 V HN 0.502 nan 8.190 nan 0.000 0.452 139 S N 0.119 115.855 115.700 0.059 0.000 2.368 139 S HA -0.067 4.405 4.470 0.002 0.000 0.224 139 S C 1.886 176.522 174.600 0.061 0.000 1.029 139 S CA 1.362 59.596 58.200 0.057 0.000 0.988 139 S CB -0.316 62.944 63.200 0.101 0.000 0.838 139 S HN 0.463 nan 8.310 nan 0.000 0.462 140 L N 0.906 122.194 121.223 0.108 0.000 2.201 140 L HA -0.015 4.326 4.340 0.002 0.000 0.212 140 L C 2.483 179.425 176.870 0.120 0.000 1.105 140 L CA 0.873 55.782 54.840 0.116 0.000 0.775 140 L CB -0.415 41.735 42.059 0.152 0.000 0.913 140 L HN 0.392 nan 8.230 nan 0.000 0.440 141 M N -0.068 119.620 119.600 0.147 0.000 2.098 141 M HA -0.183 4.299 4.480 0.002 0.000 0.262 141 M C 2.202 178.520 176.300 0.031 0.000 1.072 141 M CA 1.812 57.222 55.300 0.182 0.000 1.133 141 M CB 0.001 32.696 32.600 0.159 0.000 1.344 141 M HN 0.150 nan 8.290 nan 0.000 0.414 142 L N 0.151 121.351 121.223 -0.039 0.000 2.131 142 L HA -0.200 4.141 4.340 0.002 0.000 0.210 142 L C 2.513 179.323 176.870 -0.101 0.000 1.092 142 L CA 0.712 55.485 54.840 -0.111 0.000 0.759 142 L CB -0.552 41.403 42.059 -0.174 0.000 0.903 142 L HN 0.429 nan 8.230 nan 0.000 0.435 143 M N -0.938 118.611 119.600 -0.085 0.000 2.394 143 M HA -0.064 4.417 4.480 0.002 0.000 0.264 143 M C 2.322 178.596 176.300 -0.043 0.000 1.073 143 M CA 1.401 56.623 55.300 -0.129 0.000 1.111 143 M CB -1.022 31.399 32.600 -0.299 0.000 1.401 143 M HN 0.280 nan 8.290 nan 0.000 0.448 144 A N 0.648 123.471 122.820 0.004 0.000 1.871 144 A HA 0.067 4.389 4.320 0.002 0.000 0.211 144 A C 1.622 179.222 177.584 0.027 0.000 1.207 144 A CA 0.650 52.721 52.037 0.056 0.000 0.620 144 A CB -0.303 18.782 19.000 0.142 0.000 0.860 144 A HN 0.537 nan 8.150 nan 0.000 0.450 145 I N -3.133 117.433 120.570 -0.006 0.000 3.736 145 I HA 0.452 4.623 4.170 0.002 0.000 0.338 145 I C 1.227 177.308 176.117 -0.059 0.000 1.558 145 I CA 0.254 61.525 61.300 -0.048 0.000 1.147 145 I CB 0.029 37.968 38.000 -0.102 0.000 1.275 145 I HN 0.083 nan 8.210 nan 0.000 0.454 146 G N 1.578 110.242 108.800 -0.227 0.000 2.422 146 G HA2 -0.127 3.834 3.960 0.002 0.000 0.218 146 G HA3 -0.127 3.834 3.960 0.002 0.000 0.218 146 G C 1.447 176.025 174.900 -0.537 0.000 1.140 146 G CA 0.826 45.624 45.100 -0.504 0.000 0.775 146 G HN 0.555 nan 8.290 nan 0.000 0.545 147 G N 0.868 109.431 108.800 -0.395 0.000 2.442 147 G HA2 -0.145 3.817 3.960 0.002 0.000 0.219 147 G HA3 -0.145 3.817 3.960 0.002 0.000 0.219 147 G C 1.658 176.520 174.900 -0.062 0.000 1.141 147 G CA 0.765 45.813 45.100 -0.088 0.000 0.763 147 G HN 0.332 nan 8.290 nan 0.000 0.554 148 L N -0.507 120.644 121.223 -0.119 0.000 2.131 148 L HA 0.174 4.516 4.340 0.002 0.000 0.210 148 L C 2.471 179.202 176.870 -0.231 0.000 1.092 148 L CA 1.145 55.863 54.840 -0.203 0.000 0.759 148 L CB -0.693 41.176 42.059 -0.317 0.000 0.903 148 L HN 0.250 nan 8.230 nan 0.000 0.435 149 F N -0.795 119.069 119.950 -0.144 0.000 2.367 149 F HA -0.092 4.437 4.527 0.002 0.000 0.298 149 F C 2.507 178.262 175.800 -0.075 0.000 1.094 149 F CA 0.853 58.785 58.000 -0.114 0.000 1.409 149 F CB -0.062 38.860 39.000 -0.130 0.000 1.064 149 F HN 0.162 nan 8.300 nan 0.000 0.528 150 E N 0.479 120.752 120.200 0.122 0.000 2.150 150 E HA -0.157 4.194 4.350 0.002 0.000 0.193 150 E C 1.357 177.984 176.600 0.045 0.000 0.985 150 E CA 0.850 57.307 56.400 0.095 0.000 0.814 150 E CB 0.181 29.967 29.700 0.144 0.000 0.752 150 E HN 0.127 nan 8.360 nan 0.000 0.466 151 K N 0.723 121.130 120.400 0.011 0.000 2.387 151 K HA 0.011 4.333 4.320 0.002 0.000 0.198 151 K C -0.230 176.348 176.600 -0.038 0.000 1.022 151 K CA 0.325 56.601 56.287 -0.018 0.000 1.128 151 K CB 0.090 32.570 32.500 -0.034 0.000 0.853 151 K HN 0.125 nan 8.250 nan 0.000 0.523 152 D N 0.385 120.768 120.400 -0.029 0.000 2.708 152 D HA -0.173 4.468 4.640 0.002 0.000 0.236 152 D C -0.046 176.194 176.300 -0.100 0.000 1.146 152 D CA 0.150 54.126 54.000 -0.040 0.000 0.662 152 D CB -0.640 40.151 40.800 -0.015 0.000 1.059 152 D HN 0.024 nan 8.370 nan 0.000 0.428 153 L N -0.131 120.994 121.223 -0.162 0.000 2.607 153 L HA 0.277 4.618 4.340 0.002 0.000 0.228 153 L C 0.117 176.810 176.870 -0.295 0.000 1.123 153 L CA 0.355 55.075 54.840 -0.201 0.000 0.890 153 L CB 0.764 42.711 42.059 -0.186 0.000 1.103 153 L HN 0.106 nan 8.230 nan 0.000 0.468 154 V N -0.531 119.161 119.914 -0.370 0.000 2.370 154 V HA 0.198 4.319 4.120 0.002 0.000 0.283 154 V C 1.130 177.061 176.094 -0.272 0.000 1.023 154 V CA -0.430 61.594 62.300 -0.461 0.000 0.857 154 V CB 1.795 33.084 31.823 -0.890 0.000 0.985 154 V HN 0.228 nan 8.190 nan 0.000 0.443 155 E N 5.036 125.067 120.200 -0.282 0.000 2.099 155 E HA 0.094 4.445 4.350 0.002 0.000 0.191 155 E C -0.082 176.546 176.600 0.046 0.000 0.962 155 E CA 0.579 56.893 56.400 -0.143 0.000 0.826 155 E CB 0.580 30.132 29.700 -0.248 0.000 0.788 155 E HN 0.768 nan 8.360 nan 0.000 0.461 156 W N -0.551 120.684 121.300 -0.108 0.000 3.066 156 W HA 0.555 5.216 4.660 0.002 0.000 0.330 156 W C -1.646 174.831 176.519 -0.069 0.000 1.253 156 W CA -0.834 56.477 57.345 -0.056 0.000 1.187 156 W CB 0.402 29.842 29.460 -0.033 0.000 1.434 156 W HN -0.274 nan 8.180 nan 0.000 0.572 157 I N 2.434 123.263 120.570 0.432 0.000 2.533 157 I HA 0.228 4.400 4.170 0.002 0.000 0.290 157 I C -0.315 176.041 176.117 0.398 0.000 1.056 157 I CA -0.602 60.883 61.300 0.308 0.000 1.057 157 I CB 2.303 40.354 38.000 0.084 0.000 1.240 157 I HN 0.386 nan 8.210 nan 0.000 0.423 158 S N 5.949 121.923 115.700 0.456 0.000 2.433 158 S HA 0.684 5.156 4.470 0.002 0.000 0.310 158 S C -0.668 174.135 174.600 0.338 0.000 1.097 158 S CA -0.462 57.943 58.200 0.341 0.000 1.103 158 S CB 0.740 64.171 63.200 0.384 0.000 0.992 158 S HN 0.326 nan 8.310 nan 0.000 0.469 159 V N 3.392 123.467 119.914 0.268 0.000 2.667 159 V HA 0.925 5.047 4.120 0.002 0.000 0.308 159 V C 0.129 176.304 176.094 0.135 0.000 1.048 159 V CA -0.839 61.634 62.300 0.288 0.000 0.928 159 V CB 1.466 33.468 31.823 0.299 0.000 1.004 159 V HN 1.050 nan 8.190 nan 0.000 0.444 160 A N 2.135 125.004 122.820 0.080 0.000 2.499 160 A HA 0.724 5.046 4.320 0.002 0.000 0.280 160 A C -0.136 177.404 177.584 -0.073 0.000 1.135 160 A CA -0.254 51.773 52.037 -0.018 0.000 0.744 160 A CB 1.293 20.306 19.000 0.021 0.000 1.213 160 A HN 1.003 nan 8.150 nan 0.000 0.434 161 T N -0.792 113.674 114.554 -0.147 0.000 2.928 161 T HA 0.687 5.038 4.350 0.002 0.000 0.284 161 T C -0.843 173.689 174.700 -0.281 0.000 1.008 161 T CA -0.312 61.719 62.100 -0.115 0.000 1.057 161 T CB 0.736 69.549 68.868 -0.091 0.000 1.018 161 T HN 0.429 nan 8.240 nan 0.000 0.493 162 Y N 0.950 121.206 120.300 -0.073 0.000 2.787 162 Y HA 0.379 4.930 4.550 0.002 0.000 0.352 162 Y C 0.512 176.389 175.900 -0.038 0.000 1.027 162 Y CA -0.976 57.116 58.100 -0.014 0.000 1.219 162 Y CB 0.663 39.164 38.460 0.069 0.000 1.110 162 Y HN 0.630 nan 8.280 nan 0.000 0.614 163 Q N 1.722 121.501 119.800 -0.035 0.000 2.261 163 Q HA 0.685 5.026 4.340 0.002 0.000 0.252 163 Q C 0.028 176.082 176.000 0.089 0.000 0.915 163 Q CA -0.669 55.026 55.803 -0.181 0.000 0.915 163 Q CB 1.675 30.120 28.738 -0.487 0.000 1.204 163 Q HN 0.720 nan 8.270 nan 0.000 0.421 164 A N 1.551 124.603 122.820 0.386 0.000 2.332 164 A HA 0.452 4.773 4.320 0.002 0.000 0.258 164 A C 0.931 178.710 177.584 0.325 0.000 1.087 164 A CA 0.301 52.540 52.037 0.336 0.000 0.802 164 A CB 0.442 19.626 19.000 0.306 0.000 1.042 164 A HN 0.934 nan 8.150 nan 0.000 0.489 165 A N 0.703 123.683 122.820 0.267 0.000 2.015 165 A HA -0.033 4.288 4.320 0.002 0.000 0.219 165 A C 2.261 179.997 177.584 0.253 0.000 1.163 165 A CA 2.082 54.330 52.037 0.353 0.000 0.646 165 A CB -1.002 18.236 19.000 0.397 0.000 0.806 165 A HN 1.618 nan 8.150 nan 0.000 0.448 166 S N -0.533 115.274 115.700 0.178 0.000 2.442 166 S HA 0.006 4.477 4.470 0.002 0.000 0.236 166 S C 1.870 176.533 174.600 0.106 0.000 1.007 166 S CA 1.122 59.384 58.200 0.103 0.000 0.965 166 S CB -0.871 62.357 63.200 0.047 0.000 0.773 166 S HN 0.626 nan 8.310 nan 0.000 0.504 167 G N 0.925 109.839 108.800 0.189 0.000 2.448 167 G HA2 0.224 4.185 3.960 0.002 0.000 0.218 167 G HA3 0.224 4.185 3.960 0.002 0.000 0.218 167 G C 1.427 176.424 174.900 0.162 0.000 1.135 167 G CA 0.500 45.726 45.100 0.211 0.000 0.784 167 G HN 0.754 nan 8.290 nan 0.000 0.543 168 A N -0.757 122.155 122.820 0.155 0.000 2.095 168 A HA 0.593 4.914 4.320 0.002 0.000 0.212 168 A C 1.236 178.827 177.584 0.011 0.000 1.162 168 A CA 1.365 53.455 52.037 0.088 0.000 0.753 168 A CB -0.019 19.040 19.000 0.099 0.000 0.840 168 A HN 1.602 nan 8.150 nan 0.000 0.468 169 G N -3.294 105.516 108.800 0.016 0.000 2.339 169 G HA2 0.440 4.402 3.960 0.002 0.000 0.381 169 G HA3 0.440 4.402 3.960 0.002 0.000 0.381 169 G C 0.549 175.435 174.900 -0.024 0.000 1.400 169 G CA -0.145 44.946 45.100 -0.015 0.000 1.002 169 G HN 0.995 nan 8.290 nan 0.000 0.633 170 A N -0.006 122.798 122.820 -0.027 0.000 1.902 170 A HA 0.048 4.370 4.320 0.002 0.000 0.217 170 A C 2.178 179.738 177.584 -0.039 0.000 1.181 170 A CA 2.330 54.352 52.037 -0.025 0.000 0.623 170 A CB -0.417 18.566 19.000 -0.028 0.000 0.818 170 A HN 0.700 nan 8.150 nan 0.000 0.443 171 K N -0.271 120.089 120.400 -0.067 0.000 2.148 171 K HA -0.108 4.214 4.320 0.002 0.000 0.204 171 K C 1.650 178.174 176.600 -0.127 0.000 1.050 171 K CA 1.488 57.723 56.287 -0.087 0.000 0.942 171 K CB -0.220 32.221 32.500 -0.098 0.000 0.724 171 K HN 0.528 nan 8.250 nan 0.000 0.446 172 N N 0.490 119.076 118.700 -0.190 0.000 2.188 172 N HA -0.076 4.665 4.740 0.002 0.000 0.184 172 N C 1.568 177.096 175.510 0.030 0.000 1.018 172 N CA 1.210 54.060 53.050 -0.334 0.000 0.858 172 N CB 0.009 38.210 38.487 -0.476 0.000 0.989 172 N HN 0.112 nan 8.380 nan 0.000 0.426 173 M N -0.003 119.633 119.600 0.060 0.000 2.175 173 M HA -0.052 4.430 4.480 0.002 0.000 0.264 173 M C 1.880 178.228 176.300 0.080 0.000 1.063 173 M CA 1.319 56.683 55.300 0.107 0.000 1.119 173 M CB -0.062 32.577 32.600 0.066 0.000 1.377 173 M HN 0.077 nan 8.290 nan 0.000 0.415 174 R N -0.028 120.492 120.500 0.033 0.000 2.075 174 R HA -0.153 4.188 4.340 0.002 0.000 0.232 174 R C 2.123 178.434 176.300 0.018 0.000 1.126 174 R CA 1.496 57.604 56.100 0.015 0.000 0.963 174 R CB -0.363 29.930 30.300 -0.012 0.000 0.858 174 R HN 0.460 nan 8.270 nan 0.000 0.435 175 E N 0.915 121.131 120.200 0.028 0.000 2.106 175 E HA -0.197 4.154 4.350 0.002 0.000 0.192 175 E C 1.907 178.560 176.600 0.088 0.000 0.984 175 E CA 0.801 57.222 56.400 0.036 0.000 0.806 175 E CB 0.029 29.753 29.700 0.041 0.000 0.750 175 E HN 0.134 nan 8.360 nan 0.000 0.458 176 L N 0.868 122.210 121.223 0.199 0.000 2.017 176 L HA -0.155 4.186 4.340 0.002 0.000 0.208 176 L C 2.091 179.001 176.870 0.067 0.000 1.073 176 L CA 1.674 56.604 54.840 0.150 0.000 0.745 176 L CB -0.556 41.611 42.059 0.181 0.000 0.894 176 L HN 0.235 nan 8.230 nan 0.000 0.432 177 L N -0.958 120.301 121.223 0.060 0.000 2.083 177 L HA -0.194 4.147 4.340 0.002 0.000 0.209 177 L C 2.511 179.391 176.870 0.016 0.000 1.083 177 L CA 1.419 56.282 54.840 0.038 0.000 0.752 177 L CB -0.683 41.397 42.059 0.034 0.000 0.899 177 L HN 0.253 nan 8.230 nan 0.000 0.433 178 S N -0.864 114.830 115.700 -0.010 0.000 2.383 178 S HA -0.203 4.268 4.470 0.002 0.000 0.227 178 S C 1.951 176.502 174.600 -0.081 0.000 1.026 178 S CA 1.110 59.283 58.200 -0.045 0.000 0.981 178 S CB -0.128 63.028 63.200 -0.073 0.000 0.818 178 S HN 0.444 nan 8.310 nan 0.000 0.472 179 Q N 0.349 120.071 119.800 -0.130 0.000 2.119 179 Q HA 0.019 4.360 4.340 0.002 0.000 0.201 179 Q C 2.211 178.274 176.000 0.105 0.000 0.972 179 Q CA 1.116 56.809 55.803 -0.182 0.000 0.847 179 Q CB -0.226 28.396 28.738 -0.194 0.000 0.903 179 Q HN 0.532 nan 8.270 nan 0.000 0.433 180 M N -0.413 119.235 119.600 0.079 0.000 2.159 180 M HA -0.104 4.377 4.480 0.002 0.000 0.263 180 M C 2.184 178.538 176.300 0.089 0.000 1.063 180 M CA 1.494 56.851 55.300 0.095 0.000 1.110 180 M CB -0.463 32.177 32.600 0.066 0.000 1.374 180 M HN 0.337 nan 8.290 nan 0.000 0.411 181 G N 0.514 109.355 108.800 0.067 0.000 2.404 181 G HA2 -0.147 3.815 3.960 0.002 0.000 0.215 181 G HA3 -0.147 3.815 3.960 0.002 0.000 0.215 181 G C 1.483 176.434 174.900 0.084 0.000 1.174 181 G CA 0.427 45.563 45.100 0.060 0.000 0.780 181 G HN 0.336 nan 8.290 nan 0.000 0.537 182 L N 0.073 121.367 121.223 0.119 0.000 2.201 182 L HA 0.062 4.403 4.340 0.002 0.000 0.212 182 L C 2.791 179.774 176.870 0.188 0.000 1.105 182 L CA 0.270 55.212 54.840 0.171 0.000 0.775 182 L CB -0.244 41.964 42.059 0.248 0.000 0.913 182 L HN 0.183 nan 8.230 nan 0.000 0.440 183 L N -0.692 120.653 121.223 0.204 0.000 2.093 183 L HA -0.158 4.184 4.340 0.002 0.000 0.208 183 L C 2.729 179.640 176.870 0.069 0.000 1.085 183 L CA 1.045 55.959 54.840 0.124 0.000 0.755 183 L CB -0.468 41.667 42.059 0.126 0.000 0.904 183 L HN 0.322 nan 8.230 nan 0.000 0.435 184 E N 0.525 120.766 120.200 0.069 0.000 2.051 184 E HA -0.207 4.144 4.350 0.002 0.000 0.189 184 E C 2.033 178.658 176.600 0.041 0.000 0.979 184 E CA 1.085 57.513 56.400 0.046 0.000 0.803 184 E CB 0.064 29.790 29.700 0.043 0.000 0.761 184 E HN 0.507 nan 8.360 nan 0.000 0.451 185 Q N -0.128 119.702 119.800 0.049 0.000 2.297 185 Q HA -0.073 4.268 4.340 0.002 0.000 0.208 185 Q C 1.873 177.896 176.000 0.038 0.000 0.981 185 Q CA 1.192 57.020 55.803 0.042 0.000 0.876 185 Q CB -0.098 28.669 28.738 0.047 0.000 0.921 185 Q HN 0.280 nan 8.270 nan 0.000 0.446 186 A N 0.226 123.070 122.820 0.040 0.000 2.119 186 A HA -0.002 4.319 4.320 0.002 0.000 0.216 186 A C 1.510 179.104 177.584 0.016 0.000 1.152 186 A CA 1.120 53.173 52.037 0.027 0.000 0.708 186 A CB 0.263 19.275 19.000 0.020 0.000 0.805 186 A HN 0.274 nan 8.150 nan 0.000 0.460 187 V N -4.590 115.334 119.914 0.017 0.000 3.157 187 V HA 0.299 4.420 4.120 0.002 0.000 0.361 187 V C 1.177 177.280 176.094 0.014 0.000 1.421 187 V CA 0.497 62.804 62.300 0.012 0.000 1.213 187 V CB -0.662 31.166 31.823 0.008 0.000 1.164 187 V HN 0.189 nan 8.190 nan 0.000 0.559 188 S N 2.702 118.412 115.700 0.017 0.000 2.374 188 S HA -0.210 4.261 4.470 0.002 0.000 0.227 188 S C 2.199 176.807 174.600 0.013 0.000 1.037 188 S CA 2.805 61.015 58.200 0.017 0.000 1.024 188 S CB -0.145 63.066 63.200 0.019 0.000 0.861 188 S HN 1.104 nan 8.310 nan 0.000 0.456 189 S N 0.373 116.080 115.700 0.011 0.000 2.414 189 S HA 0.053 4.524 4.470 0.002 0.000 0.227 189 S C 1.580 176.184 174.600 0.007 0.000 1.022 189 S CA 0.872 59.077 58.200 0.009 0.000 0.958 189 S CB -0.531 62.673 63.200 0.008 0.000 0.797 189 S HN 0.531 nan 8.310 nan 0.000 0.493 190 E N 1.610 121.814 120.200 0.007 0.000 2.204 190 E HA 0.123 4.474 4.350 0.002 0.000 0.194 190 E C 1.859 178.462 176.600 0.006 0.000 0.989 190 E CA 0.747 57.150 56.400 0.005 0.000 0.824 190 E CB -0.398 29.305 29.700 0.004 0.000 0.756 190 E HN 0.494 nan 8.360 nan 0.000 0.477 191 L N 0.281 121.508 121.223 0.008 0.000 2.240 191 L HA -0.064 4.277 4.340 0.002 0.000 0.211 191 L C 1.838 178.712 176.870 0.008 0.000 1.106 191 L CA 0.922 55.767 54.840 0.008 0.000 0.793 191 L CB -0.085 41.980 42.059 0.011 0.000 0.927 191 L HN 0.025 nan 8.230 nan 0.000 0.446 192 K N -0.591 119.813 120.400 0.008 0.000 2.432 192 K HA -0.066 4.255 4.320 0.002 0.000 0.196 192 K C 0.180 176.783 176.600 0.006 0.000 1.038 192 K CA 0.195 56.486 56.287 0.007 0.000 0.986 192 K CB 0.006 32.511 32.500 0.008 0.000 0.782 192 K HN 0.059 nan 8.250 nan 0.000 0.485 193 D N 0.918 121.321 120.400 0.005 0.000 2.396 193 D HA 0.098 4.739 4.640 0.002 0.000 0.225 193 D C -2.017 174.286 176.300 0.004 0.000 1.121 193 D CA -2.531 51.472 54.000 0.004 0.000 0.853 193 D CB 1.512 42.314 40.800 0.004 0.000 1.043 193 D HN -0.184 nan 8.370 nan 0.000 0.500 194 P HA -0.038 nan 4.420 nan 0.000 0.221 194 P C 0.372 177.673 177.300 0.002 0.000 1.145 194 P CA 0.759 63.860 63.100 0.003 0.000 0.795 194 P CB 0.349 32.051 31.700 0.003 0.000 0.775 195 A N -1.065 121.756 122.820 0.002 0.000 2.465 195 A HA 0.264 4.586 4.320 0.002 0.000 0.255 195 A C 0.874 178.459 177.584 0.001 0.000 1.274 195 A CA -0.095 51.943 52.037 0.002 0.000 0.920 195 A CB -0.645 18.356 19.000 0.001 0.000 1.033 195 A HN 0.241 nan 8.150 nan 0.000 0.516 196 S N -0.323 115.378 115.700 0.002 0.000 2.603 196 S HA 0.395 4.867 4.470 0.002 0.000 0.268 196 S C 0.432 175.032 174.600 0.000 0.000 1.317 196 S CA 0.091 58.291 58.200 0.001 0.000 1.012 196 S CB 1.029 64.231 63.200 0.002 0.000 0.926 196 S HN 0.419 nan 8.310 nan 0.000 0.539 197 S N 0.782 116.482 115.700 -0.000 0.000 2.510 197 S HA 0.165 4.636 4.470 0.002 0.000 0.279 197 S C 0.890 175.489 174.600 -0.002 0.000 1.284 197 S CA -0.777 57.422 58.200 -0.001 0.000 1.059 197 S CB -0.218 62.980 63.200 -0.002 0.000 0.901 197 S HN 0.697 nan 8.310 nan 0.000 0.491 198 I N 5.835 126.404 120.570 -0.002 0.000 2.439 198 I HA 0.008 4.179 4.170 0.002 0.000 0.251 198 I C 1.580 177.694 176.117 -0.004 0.000 1.139 198 I CA 1.305 62.604 61.300 -0.002 0.000 1.438 198 I CB -0.277 37.722 38.000 -0.001 0.000 1.085 198 I HN 0.701 nan 8.210 nan 0.000 0.427 199 L N 0.305 121.525 121.223 -0.005 0.000 2.141 199 L HA -0.174 4.167 4.340 0.002 0.000 0.209 199 L C 2.092 178.957 176.870 -0.008 0.000 1.094 199 L CA 1.972 56.808 54.840 -0.007 0.000 0.763 199 L CB -1.006 41.049 42.059 -0.006 0.000 0.908 199 L HN 0.360 nan 8.230 nan 0.000 0.437 200 D N -0.679 119.717 120.400 -0.007 0.000 2.123 200 D HA -0.167 4.474 4.640 0.002 0.000 0.200 200 D C 2.280 178.575 176.300 -0.008 0.000 0.976 200 D CA 1.068 55.063 54.000 -0.007 0.000 0.831 200 D CB 0.038 40.835 40.800 -0.005 0.000 0.974 200 D HN 0.298 nan 8.370 nan 0.000 0.469 201 I N 0.596 121.162 120.570 -0.006 0.000 2.163 201 I HA -0.209 3.963 4.170 0.002 0.000 0.243 201 I C 2.516 178.626 176.117 -0.011 0.000 1.085 201 I CA 1.208 62.505 61.300 -0.006 0.000 1.347 201 I CB -0.396 37.603 38.000 -0.002 0.000 1.044 201 I HN 0.201 nan 8.210 nan 0.000 0.408 202 E N 1.425 121.618 120.200 -0.012 0.000 2.077 202 E HA -0.265 4.086 4.350 0.002 0.000 0.193 202 E C 2.277 178.861 176.600 -0.026 0.000 0.989 202 E CA 1.346 57.736 56.400 -0.017 0.000 0.800 202 E CB -0.065 29.627 29.700 -0.014 0.000 0.746 202 E HN 0.323 nan 8.360 nan 0.000 0.452 203 R N 0.426 120.913 120.500 -0.023 0.000 2.105 203 R HA -0.101 4.240 4.340 0.002 0.000 0.239 203 R C 2.427 178.707 176.300 -0.034 0.000 1.135 203 R CA 1.842 57.926 56.100 -0.026 0.000 0.967 203 R CB 0.101 30.389 30.300 -0.019 0.000 0.861 203 R HN 0.051 nan 8.270 nan 0.000 0.442 204 K N -0.549 119.833 120.400 -0.029 0.000 2.116 204 K HA -0.063 4.258 4.320 0.002 0.000 0.203 204 K C 1.958 178.530 176.600 -0.047 0.000 1.052 204 K CA 1.319 57.588 56.287 -0.031 0.000 0.952 204 K CB 0.095 32.585 32.500 -0.017 0.000 0.729 204 K HN 0.170 nan 8.250 nan 0.000 0.446 205 V N -1.148 118.737 119.914 -0.048 0.000 2.548 205 V HA -0.136 3.985 4.120 0.002 0.000 0.249 205 V C 1.793 177.811 176.094 -0.128 0.000 1.055 205 V CA 1.805 64.064 62.300 -0.068 0.000 1.065 205 V CB -0.713 31.088 31.823 -0.038 0.000 0.681 205 V HN 0.109 nan 8.190 nan 0.000 0.462 206 T N 1.090 115.581 114.554 -0.104 0.000 2.867 206 T HA 0.085 4.436 4.350 0.002 0.000 0.268 206 T C 2.142 176.755 174.700 -0.145 0.000 1.057 206 T CA 1.706 63.733 62.100 -0.121 0.000 1.136 206 T CB -0.426 68.397 68.868 -0.075 0.000 0.874 206 T HN 0.749 nan 8.240 nan 0.000 0.466 207 A N 1.482 124.234 122.820 -0.113 0.000 1.930 207 A HA -0.033 4.289 4.320 0.002 0.000 0.217 207 A C 2.192 179.693 177.584 -0.139 0.000 1.175 207 A CA 1.669 53.646 52.037 -0.099 0.000 0.627 207 A CB -0.386 18.578 19.000 -0.060 0.000 0.815 207 A HN 0.324 nan 8.150 nan 0.000 0.443 208 K N -0.441 119.855 120.400 -0.174 0.000 2.155 208 K HA 0.062 4.383 4.320 0.002 0.000 0.203 208 K C 1.907 178.152 176.600 -0.592 0.000 1.052 208 K CA 1.494 57.653 56.287 -0.214 0.000 0.948 208 K CB -0.382 32.050 32.500 -0.114 0.000 0.728 208 K HN 0.475 nan 8.250 nan 0.000 0.448 209 M N -0.254 118.896 119.600 -0.750 0.000 2.229 209 M HA -0.111 4.370 4.480 0.002 0.000 0.264 209 M C 1.396 177.305 176.300 -0.652 0.000 1.063 209 M CA 1.570 56.150 55.300 -1.200 0.000 1.114 209 M CB 0.134 32.374 32.600 -0.600 0.000 1.387 209 M HN 0.018 nan 8.290 nan 0.000 0.420 210 R N 0.020 120.326 120.500 -0.324 0.000 2.300 210 R HA 0.277 4.618 4.340 0.002 0.000 0.199 210 R C 0.641 176.901 176.300 -0.067 0.000 0.920 210 R CA 0.050 56.067 56.100 -0.138 0.000 1.046 210 R CB 0.022 30.264 30.300 -0.097 0.000 0.984 210 R HN 0.294 nan 8.270 nan 0.000 0.493 211 A N 1.184 123.958 122.820 -0.076 0.000 2.386 211 A HA -0.010 4.312 4.320 0.002 0.000 0.246 211 A C 0.431 178.061 177.584 0.077 0.000 1.089 211 A CA -0.232 51.810 52.037 0.007 0.000 0.790 211 A CB 0.329 19.338 19.000 0.016 0.000 1.042 211 A HN 0.069 nan 8.150 nan 0.000 0.497 212 D N 0.593 121.032 120.400 0.065 0.000 2.117 212 D HA -0.151 4.490 4.640 0.002 0.000 0.198 212 D C 1.279 177.638 176.300 0.097 0.000 0.982 212 D CA 1.813 55.856 54.000 0.072 0.000 0.828 212 D CB -0.207 40.620 40.800 0.045 0.000 0.967 212 D HN 0.759 nan 8.370 nan 0.000 0.464 213 N N 0.400 119.163 118.700 0.104 0.000 2.521 213 N HA -0.137 4.604 4.740 0.002 0.000 0.188 213 N C 0.015 175.622 175.510 0.162 0.000 1.146 213 N CA -0.165 52.948 53.050 0.106 0.000 0.893 213 N CB -0.817 37.718 38.487 0.080 0.000 0.975 213 N HN 0.008 nan 8.380 nan 0.000 0.451 214 F N 2.506 122.468 119.950 0.020 0.000 2.471 214 F HA 0.341 4.870 4.527 0.002 0.000 0.365 214 F C -2.030 173.791 175.800 0.035 0.000 1.095 214 F CA -2.875 55.142 58.000 0.027 0.000 1.174 214 F CB 0.616 39.632 39.000 0.026 0.000 1.105 214 F HN -0.082 nan 8.300 nan 0.000 0.535 215 P HA 0.055 nan 4.420 nan 0.000 0.263 215 P C 0.081 177.279 177.300 -0.171 0.000 1.276 215 P CA 0.393 63.375 63.100 -0.196 0.000 0.986 215 P CB 0.007 31.574 31.700 -0.221 0.000 1.105 216 T N -2.681 111.864 114.554 -0.014 0.000 3.145 216 T HA 0.084 4.435 4.350 0.002 0.000 0.281 216 T C 1.030 175.772 174.700 0.069 0.000 1.003 216 T CA -0.260 61.885 62.100 0.075 0.000 0.901 216 T CB -0.229 68.727 68.868 0.147 0.000 1.112 216 T HN 0.047 nan 8.240 nan 0.000 0.535 217 D N 2.579 122.990 120.400 0.017 0.000 2.133 217 D HA -0.139 4.503 4.640 0.002 0.000 0.195 217 D C 1.715 177.998 176.300 -0.030 0.000 0.997 217 D CA 1.150 55.147 54.000 -0.004 0.000 0.840 217 D CB 0.023 40.810 40.800 -0.022 0.000 0.947 217 D HN 0.485 nan 8.370 nan 0.000 0.452 218 N N -0.460 118.190 118.700 -0.082 0.000 2.333 218 N HA -0.027 4.714 4.740 0.002 0.000 0.178 218 N C 1.726 177.087 175.510 -0.248 0.000 1.018 218 N CA 0.429 53.352 53.050 -0.211 0.000 0.882 218 N CB -0.131 38.140 38.487 -0.359 0.000 0.984 218 N HN 0.229 nan 8.380 nan 0.000 0.434 219 F N 0.218 120.179 119.950 0.018 0.000 2.619 219 F HA 0.219 4.747 4.527 0.002 0.000 0.293 219 F C 1.866 177.686 175.800 0.033 0.000 1.119 219 F CA 0.368 58.390 58.000 0.035 0.000 1.445 219 F CB 0.259 39.284 39.000 0.042 0.000 1.119 219 F HN 0.074 nan 8.300 nan 0.000 0.573 220 G N 0.739 109.652 108.800 0.189 0.000 2.179 220 G HA2 -0.048 3.914 3.960 0.002 0.000 0.260 220 G HA3 -0.048 3.914 3.960 0.002 0.000 0.260 220 G C 0.045 175.014 174.900 0.115 0.000 0.977 220 G CA 0.039 45.206 45.100 0.112 0.000 0.641 220 G HN 0.839 nan 8.290 nan 0.000 0.533 221 A N -1.507 121.413 122.820 0.167 0.000 2.566 221 A HA 0.997 5.319 4.320 0.002 0.000 0.290 221 A C -0.014 177.669 177.584 0.164 0.000 1.071 221 A CA 0.250 52.368 52.037 0.135 0.000 0.658 221 A CB 0.210 19.262 19.000 0.087 0.000 1.285 221 A HN 2.092 nan 8.150 nan 0.000 0.427 222 A N -0.268 122.652 122.820 0.166 0.000 2.440 222 A HA 0.536 4.858 4.320 0.002 0.000 0.251 222 A C 0.585 178.196 177.584 0.045 0.000 1.089 222 A CA 0.319 52.491 52.037 0.226 0.000 0.779 222 A CB 0.261 19.449 19.000 0.313 0.000 1.022 222 A HN 1.824 nan 8.150 nan 0.000 0.492 223 L N 3.075 124.273 121.223 -0.042 0.000 2.435 223 L HA 0.368 4.710 4.340 0.002 0.000 0.195 223 L C 1.574 178.406 176.870 -0.064 0.000 1.072 223 L CA 1.401 56.103 54.840 -0.229 0.000 0.833 223 L CB -0.503 41.145 42.059 -0.685 0.000 1.081 223 L HN 0.747 nan 8.230 nan 0.000 0.485 224 G N -0.574 108.243 108.800 0.028 0.000 2.313 224 G HA2 0.362 4.323 3.960 0.002 0.000 0.250 224 G HA3 0.362 4.323 3.960 0.002 0.000 0.250 224 G C 0.934 175.903 174.900 0.115 0.000 1.281 224 G CA 0.245 45.396 45.100 0.086 0.000 0.917 224 G HN 0.977 nan 8.290 nan 0.000 0.501 225 G N 0.451 109.290 108.800 0.067 0.000 2.148 225 G HA2 -0.125 3.837 3.960 0.002 0.000 0.254 225 G HA3 -0.125 3.837 3.960 0.002 0.000 0.254 225 G C 0.516 175.431 174.900 0.026 0.000 0.981 225 G CA 1.028 46.156 45.100 0.046 0.000 0.670 225 G HN 1.513 nan 8.290 nan 0.000 0.528 226 S N -1.844 113.867 115.700 0.020 0.000 3.070 226 S HA 0.909 5.380 4.470 0.002 0.000 0.320 226 S C -1.467 173.125 174.600 -0.014 0.000 1.215 226 S CA 0.365 58.567 58.200 0.004 0.000 0.956 226 S CB 0.953 64.158 63.200 0.009 0.000 1.337 226 S HN 1.784 nan 8.310 nan 0.000 0.639 227 L N -0.479 120.729 121.223 -0.025 0.000 2.775 227 L HA 0.755 5.096 4.340 0.002 0.000 0.263 227 L C -1.723 175.126 176.870 -0.034 0.000 1.017 227 L CA -0.620 54.194 54.840 -0.043 0.000 0.891 227 L CB 1.103 43.146 42.059 -0.026 0.000 1.482 227 L HN 0.586 nan 8.230 nan 0.000 0.410 228 I N 1.807 122.356 120.570 -0.034 0.000 2.476 228 I HA 0.413 4.584 4.170 0.002 0.000 0.281 228 I C -2.061 174.091 176.117 0.059 0.000 1.040 228 I CA -1.151 60.163 61.300 0.024 0.000 1.094 228 I CB 2.687 40.706 38.000 0.031 0.000 1.219 228 I HN 0.567 nan 8.210 nan 0.000 0.450 229 P HA 0.018 nan 4.420 nan 0.000 0.243 229 P C -0.845 176.568 177.300 0.188 0.000 1.668 229 P CA 0.279 63.430 63.100 0.085 0.000 0.898 229 P CB -0.170 31.572 31.700 0.070 0.000 1.637 230 W N 1.266 122.566 121.300 -0.001 0.000 3.544 230 W HA 0.417 5.078 4.660 0.002 0.000 0.326 230 W C -2.224 174.318 176.519 0.038 0.000 1.137 230 W CA -0.612 56.744 57.345 0.019 0.000 1.252 230 W CB 1.309 30.783 29.460 0.025 0.000 1.302 230 W HN -0.260 nan 8.180 nan 0.000 0.467 231 I N 6.644 127.212 120.570 -0.003 0.000 2.478 231 I HA 0.223 4.394 4.170 0.002 0.000 0.287 231 I C 0.013 176.153 176.117 0.038 0.000 1.042 231 I CA -0.254 61.103 61.300 0.096 0.000 1.067 231 I CB 1.833 39.857 38.000 0.041 0.000 1.233 231 I HN 0.321 nan 8.210 nan 0.000 0.431 232 D N 3.913 124.421 120.400 0.180 0.000 10.640 232 D HA -0.156 4.486 4.640 0.002 0.000 0.360 232 D C -0.519 175.935 176.300 0.257 0.000 3.073 232 D CA 0.486 54.585 54.000 0.165 0.000 2.519 232 D CB 0.475 41.327 40.800 0.088 0.000 1.179 232 D HN 0.680 nan 8.370 nan 0.000 0.978 233 K N 0.680 121.203 120.400 0.205 0.000 2.276 233 K HA 0.332 4.653 4.320 0.002 0.000 0.259 233 K C 0.504 177.229 176.600 0.208 0.000 1.001 233 K CA -0.685 55.750 56.287 0.246 0.000 0.927 233 K CB 0.597 33.171 32.500 0.124 0.000 0.969 233 K HN 0.447 nan 8.250 nan 0.000 0.490 234 L N 2.697 124.110 121.223 0.316 0.000 2.380 234 L HA 0.172 4.513 4.340 0.002 0.000 0.273 234 L C -1.051 175.859 176.870 0.066 0.000 1.138 234 L CA -0.545 54.444 54.840 0.248 0.000 0.832 234 L CB 0.632 42.940 42.059 0.414 0.000 1.124 234 L HN 0.657 nan 8.230 nan 0.000 0.454 235 L N 7.847 129.064 121.223 -0.009 0.000 2.313 235 L HA 0.376 4.718 4.340 0.002 0.000 0.273 235 L C -1.636 175.217 176.870 -0.028 0.000 1.028 235 L CA -1.304 53.489 54.840 -0.079 0.000 0.871 235 L CB 1.219 43.158 42.059 -0.199 0.000 1.242 235 L HN 0.426 nan 8.230 nan 0.000 0.434 236 P HA -0.225 nan 4.420 nan 0.000 0.218 236 P C 1.309 178.613 177.300 0.006 0.000 1.146 236 P CA 0.960 64.066 63.100 0.011 0.000 0.820 236 P CB 0.383 32.087 31.700 0.007 0.000 0.778 237 E N -0.530 119.665 120.200 -0.008 0.000 2.058 237 E HA -0.176 4.175 4.350 0.002 0.000 0.194 237 E C 1.244 177.861 176.600 0.028 0.000 0.997 237 E CA 2.209 58.614 56.400 0.009 0.000 0.801 237 E CB -0.092 29.611 29.700 0.005 0.000 0.746 237 E HN 0.318 nan 8.360 nan 0.000 0.450 238 T N -4.906 109.669 114.554 0.034 0.000 2.975 238 T HA 0.361 4.713 4.350 0.002 0.000 0.257 238 T C 1.300 176.011 174.700 0.020 0.000 1.003 238 T CA 0.555 62.679 62.100 0.040 0.000 0.932 238 T CB 1.085 70.006 68.868 0.089 0.000 1.087 238 T HN 0.316 nan 8.240 nan 0.000 0.512 239 G N 1.386 110.196 108.800 0.016 0.000 2.176 239 G HA2 -0.244 3.717 3.960 0.002 0.000 0.253 239 G HA3 -0.244 3.717 3.960 0.002 0.000 0.253 239 G C -0.062 174.818 174.900 -0.033 0.000 0.979 239 G CA 0.108 45.216 45.100 0.013 0.000 0.641 239 G HN 0.676 nan 8.290 nan 0.000 0.530 240 Q N 0.662 120.443 119.800 -0.033 0.000 2.318 240 Q HA 0.552 4.894 4.340 0.002 0.000 0.222 240 Q C 0.944 176.849 176.000 -0.158 0.000 1.003 240 Q CA 0.333 56.091 55.803 -0.075 0.000 0.936 240 Q CB 0.684 29.453 28.738 0.052 0.000 1.204 240 Q HN 0.508 nan 8.270 nan 0.000 0.524 241 T N -2.760 111.639 114.554 -0.257 0.000 2.927 241 T HA 0.215 4.567 4.350 0.002 0.000 0.281 241 T C 0.800 175.458 174.700 -0.071 0.000 0.998 241 T CA -0.897 61.014 62.100 -0.315 0.000 1.019 241 T CB 1.273 69.795 68.868 -0.576 0.000 1.061 241 T HN 0.610 nan 8.240 nan 0.000 0.518 242 K N -0.064 120.322 120.400 -0.025 0.000 2.147 242 K HA -0.168 4.154 4.320 0.002 0.000 0.205 242 K C 2.018 178.729 176.600 0.185 0.000 1.049 242 K CA 1.469 57.805 56.287 0.083 0.000 0.936 242 K CB -0.102 32.419 32.500 0.035 0.000 0.722 242 K HN 0.747 nan 8.250 nan 0.000 0.446 243 E N 1.049 121.296 120.200 0.078 0.000 2.072 243 E HA -0.162 4.189 4.350 0.002 0.000 0.191 243 E C 1.447 178.091 176.600 0.075 0.000 0.985 243 E CA 1.584 58.028 56.400 0.073 0.000 0.801 243 E CB 0.138 29.847 29.700 0.014 0.000 0.750 243 E HN 0.330 nan 8.360 nan 0.000 0.452 244 E N -0.983 119.239 120.200 0.036 0.000 2.107 244 E HA -0.150 4.201 4.350 0.002 0.000 0.191 244 E C 1.566 178.240 176.600 0.123 0.000 0.982 244 E CA 0.905 57.328 56.400 0.038 0.000 0.809 244 E CB -0.314 29.366 29.700 -0.033 0.000 0.756 244 E HN 0.408 nan 8.360 nan 0.000 0.459 245 W N 2.155 123.445 121.300 -0.016 0.000 2.363 245 W HA -0.147 4.514 4.660 0.002 0.000 0.296 245 W C 1.531 178.088 176.519 0.063 0.000 1.212 245 W CA 1.307 58.670 57.345 0.031 0.000 1.260 245 W CB 0.139 29.610 29.460 0.018 0.000 1.131 245 W HN -0.165 nan 8.180 nan 0.000 0.530 246 K N -0.175 120.303 120.400 0.131 0.000 2.360 246 K HA -0.082 4.240 4.320 0.002 0.000 0.201 246 K C 2.278 178.813 176.600 -0.108 0.000 1.046 246 K CA 1.044 57.298 56.287 -0.054 0.000 0.945 246 K CB -0.699 31.860 32.500 0.097 0.000 0.750 246 K HN 0.346 nan 8.250 nan 0.000 0.464 247 G N 0.405 109.186 108.800 -0.031 0.000 2.433 247 G HA2 -0.288 3.673 3.960 0.002 0.000 0.216 247 G HA3 -0.288 3.673 3.960 0.002 0.000 0.216 247 G C 1.342 176.240 174.900 -0.003 0.000 1.186 247 G CA 0.700 45.803 45.100 0.005 0.000 0.779 247 G HN 0.360 nan 8.290 nan 0.000 0.543 248 Y N 1.384 121.561 120.300 -0.206 0.000 2.153 248 Y HA 0.136 4.688 4.550 0.002 0.000 0.289 248 Y C 3.092 178.802 175.900 -0.317 0.000 1.119 248 Y CA 1.230 59.197 58.100 -0.222 0.000 1.116 248 Y CB -0.073 38.255 38.460 -0.220 0.000 1.004 248 Y HN 0.266 nan 8.280 nan 0.000 0.501 249 A N 0.526 122.997 122.820 -0.581 0.000 1.883 249 A HA -0.251 4.070 4.320 0.002 0.000 0.217 249 A C 1.970 179.276 177.584 -0.463 0.000 1.186 249 A CA 2.248 53.841 52.037 -0.740 0.000 0.624 249 A CB -0.755 17.433 19.000 -1.353 0.000 0.822 249 A HN 0.666 nan 8.150 nan 0.000 0.444 250 E N -1.256 118.737 120.200 -0.345 0.000 2.158 250 E HA -0.068 4.284 4.350 0.002 0.000 0.191 250 E C 2.042 178.528 176.600 -0.190 0.000 0.982 250 E CA 1.176 57.450 56.400 -0.209 0.000 0.823 250 E CB -0.216 29.410 29.700 -0.124 0.000 0.766 250 E HN 0.601 nan 8.360 nan 0.000 0.468 251 T N 1.626 116.058 114.554 -0.203 0.000 2.746 251 T HA -0.099 4.252 4.350 0.002 0.000 0.267 251 T C 1.571 176.111 174.700 -0.267 0.000 1.039 251 T CA 0.997 62.951 62.100 -0.244 0.000 1.142 251 T CB -0.129 68.604 68.868 -0.225 0.000 0.866 251 T HN 0.122 nan 8.240 nan 0.000 0.444 252 N N 0.708 119.258 118.700 -0.250 0.000 2.354 252 N HA 0.006 4.747 4.740 0.002 0.000 0.179 252 N C 1.818 177.218 175.510 -0.183 0.000 1.021 252 N CA 0.681 53.597 53.050 -0.224 0.000 0.887 252 N CB -0.047 38.269 38.487 -0.284 0.000 0.974 252 N HN 0.397 nan 8.380 nan 0.000 0.437 253 K N 1.007 121.296 120.400 -0.184 0.000 2.167 253 K HA 0.127 4.448 4.320 0.002 0.000 0.203 253 K C 1.967 178.511 176.600 -0.094 0.000 1.052 253 K CA 0.350 56.559 56.287 -0.130 0.000 0.956 253 K CB 0.145 32.570 32.500 -0.126 0.000 0.735 253 K HN 0.019 nan 8.250 nan 0.000 0.451 254 I N 0.825 121.329 120.570 -0.109 0.000 2.202 254 I HA -0.262 3.910 4.170 0.002 0.000 0.242 254 I C 1.833 177.905 176.117 -0.074 0.000 1.091 254 I CA 1.110 62.362 61.300 -0.080 0.000 1.368 254 I CB -0.060 37.877 38.000 -0.104 0.000 1.058 254 I HN 0.127 nan 8.210 nan 0.000 0.410 255 L N 0.270 121.421 121.223 -0.121 0.000 2.395 255 L HA 0.060 4.402 4.340 0.002 0.000 0.218 255 L C 1.688 178.536 176.870 -0.036 0.000 1.130 255 L CA 0.825 55.609 54.840 -0.093 0.000 0.826 255 L CB -0.532 41.432 42.059 -0.159 0.000 0.941 255 L HN 0.531 nan 8.230 nan 0.000 0.451 256 G N 0.237 109.010 108.800 -0.044 0.000 2.159 256 G HA2 -0.293 3.668 3.960 0.002 0.000 0.256 256 G HA3 -0.293 3.668 3.960 0.002 0.000 0.256 256 G C 0.361 175.247 174.900 -0.024 0.000 0.977 256 G CA -0.060 45.028 45.100 -0.019 0.000 0.652 256 G HN 0.271 nan 8.290 nan 0.000 0.531 257 L N 1.664 122.862 121.223 -0.041 0.000 2.865 257 L HA 0.347 4.688 4.340 0.002 0.000 0.233 257 L C 1.605 178.438 176.870 -0.061 0.000 1.320 257 L CA -0.006 54.815 54.840 -0.031 0.000 1.225 257 L CB 0.646 42.701 42.059 -0.008 0.000 1.542 257 L HN 0.149 nan 8.230 nan 0.000 0.432 258 S N -0.633 115.027 115.700 -0.067 0.000 2.501 258 S HA -0.041 4.430 4.470 0.002 0.000 0.220 258 S C 1.084 175.649 174.600 -0.057 0.000 0.997 258 S CA 0.327 58.471 58.200 -0.092 0.000 0.919 258 S CB 0.152 63.297 63.200 -0.092 0.000 0.778 258 S HN 0.541 nan 8.310 nan 0.000 0.523 259 D N 1.723 122.105 120.400 -0.030 0.000 2.249 259 D HA 0.108 4.749 4.640 0.002 0.000 0.205 259 D C 0.301 176.601 176.300 0.000 0.000 0.962 259 D CA 0.694 54.687 54.000 -0.011 0.000 0.860 259 D CB 0.137 40.935 40.800 -0.003 0.000 0.955 259 D HN 0.146 nan 8.370 nan 0.000 0.505 260 N N 0.825 119.525 118.700 0.001 0.000 2.750 260 N HA 0.199 4.940 4.740 0.002 0.000 0.253 260 N C -2.788 172.737 175.510 0.026 0.000 1.408 260 N CA -0.906 52.156 53.050 0.020 0.000 0.780 260 N CB 2.068 40.569 38.487 0.024 0.000 1.191 260 N HN -0.055 nan 8.380 nan 0.000 0.511 261 P HA 0.230 nan 4.420 nan 0.000 0.271 261 P C -0.021 177.371 177.300 0.153 0.000 1.220 261 P CA 0.069 63.186 63.100 0.028 0.000 0.768 261 P CB 0.963 32.645 31.700 -0.030 0.000 0.848 262 I N 6.146 126.816 120.570 0.167 0.000 2.304 262 I HA 0.223 4.394 4.170 0.002 0.000 0.291 262 I C -2.062 174.258 176.117 0.339 0.000 1.018 262 I CA -2.545 58.897 61.300 0.236 0.000 1.260 262 I CB 1.255 39.419 38.000 0.273 0.000 1.390 262 I HN 0.117 nan 8.210 nan 0.000 0.475 263 P HA 0.062 nan 4.420 nan 0.000 0.267 263 P C -0.965 176.474 177.300 0.232 0.000 1.209 263 P CA 0.132 63.364 63.100 0.220 0.000 0.763 263 P CB 0.551 32.279 31.700 0.047 0.000 0.816 264 V N 4.350 124.392 119.914 0.213 0.000 2.488 264 V HA 0.481 4.602 4.120 0.002 0.000 0.293 264 V C -0.406 175.742 176.094 0.090 0.000 1.027 264 V CA -0.212 62.194 62.300 0.177 0.000 0.862 264 V CB 1.939 33.870 31.823 0.179 0.000 1.008 264 V HN 0.461 nan 8.190 nan 0.000 0.428 265 D N 1.959 122.396 120.400 0.062 0.000 2.615 265 D HA 0.867 5.508 4.640 0.002 0.000 0.267 265 D C 0.008 176.334 176.300 0.043 0.000 1.236 265 D CA 0.779 54.788 54.000 0.014 0.000 0.839 265 D CB 2.662 43.414 40.800 -0.079 0.000 1.380 265 D HN 0.857 nan 8.370 nan 0.000 0.433 266 G N -0.466 108.344 108.800 0.017 0.000 2.368 266 G HA2 0.290 4.252 3.960 0.002 0.000 0.269 266 G HA3 0.290 4.252 3.960 0.002 0.000 0.269 266 G C -1.870 173.022 174.900 -0.014 0.000 1.291 266 G CA -0.741 44.373 45.100 0.022 0.000 0.903 266 G HN 0.447 nan 8.290 nan 0.000 0.483 267 L N 0.169 121.379 121.223 -0.023 0.000 2.313 267 L HA 0.514 4.855 4.340 0.002 0.000 0.283 267 L C -0.396 176.423 176.870 -0.084 0.000 1.013 267 L CA -0.789 54.013 54.840 -0.064 0.000 0.816 267 L CB 1.909 43.929 42.059 -0.065 0.000 1.236 267 L HN 0.559 nan 8.230 nan 0.000 0.419 268 C N 3.969 123.209 119.300 -0.101 0.000 2.246 268 C HA 0.533 4.994 4.460 0.002 0.000 0.329 268 C C 0.403 175.327 174.990 -0.111 0.000 1.221 268 C CA -0.738 58.217 59.018 -0.105 0.000 1.697 268 C CB 0.186 27.873 27.740 -0.089 0.000 2.312 268 C HN 0.446 nan 8.230 nan 0.000 0.509 269 V N 4.305 124.137 119.914 -0.137 0.000 2.555 269 V HA 0.492 4.613 4.120 0.002 0.000 0.302 269 V C 0.088 176.121 176.094 -0.100 0.000 1.038 269 V CA -0.725 61.504 62.300 -0.118 0.000 0.887 269 V CB 1.724 33.439 31.823 -0.180 0.000 0.991 269 V HN 0.777 nan 8.190 nan 0.000 0.434 270 R N 4.010 124.480 120.500 -0.049 0.000 2.254 270 R HA 0.689 5.030 4.340 0.002 0.000 0.318 270 R C -0.437 175.828 176.300 -0.060 0.000 1.031 270 R CA -0.196 55.882 56.100 -0.037 0.000 0.905 270 R CB 0.704 30.999 30.300 -0.007 0.000 1.050 270 R HN 0.818 nan 8.270 nan 0.000 0.456 271 I N -0.186 120.372 120.570 -0.020 0.000 3.170 271 I HA 0.642 4.813 4.170 0.002 0.000 0.312 271 I C 0.549 176.662 176.117 -0.006 0.000 1.085 271 I CA -1.231 60.071 61.300 0.003 0.000 0.999 271 I CB 2.124 40.182 38.000 0.098 0.000 1.233 271 I HN 0.594 nan 8.210 nan 0.000 0.467 272 G N 1.708 110.512 108.800 0.008 0.000 3.353 272 G HA2 0.549 4.510 3.960 0.002 0.000 0.247 272 G HA3 0.549 4.510 3.960 0.002 0.000 0.247 272 G C -0.032 174.904 174.900 0.059 0.000 1.025 272 G CA 0.136 45.245 45.100 0.014 0.000 1.863 272 G HN 0.893 nan 8.290 nan 0.000 0.635 273 A N -0.030 122.841 122.820 0.086 0.000 2.356 273 A HA 0.753 5.074 4.320 0.002 0.000 0.323 273 A C 0.761 178.414 177.584 0.115 0.000 1.119 273 A CA -0.648 51.452 52.037 0.105 0.000 0.790 273 A CB 1.362 20.441 19.000 0.132 0.000 1.273 273 A HN 0.194 nan 8.150 nan 0.000 0.452 274 L N 0.369 121.651 121.223 0.099 0.000 2.034 274 L HA 0.091 4.432 4.340 0.002 0.000 0.203 274 L C 2.374 179.298 176.870 0.090 0.000 1.074 274 L CA 2.172 57.068 54.840 0.094 0.000 0.748 274 L CB -0.181 41.920 42.059 0.069 0.000 0.905 274 L HN 0.907 nan 8.230 nan 0.000 0.439 275 R N -3.212 117.329 120.500 0.069 0.000 2.538 275 R HA 0.319 4.661 4.340 0.002 0.000 0.372 275 R C -0.483 175.812 176.300 -0.008 0.000 0.950 275 R CA -0.260 55.856 56.100 0.026 0.000 1.168 275 R CB -0.583 29.720 30.300 0.006 0.000 1.542 275 R HN 0.095 nan 8.270 nan 0.000 0.536 276 C N 2.516 121.851 119.300 0.058 0.000 2.351 276 C HA 0.535 4.996 4.460 0.002 0.000 0.326 276 C C -0.602 174.504 174.990 0.193 0.000 1.272 276 C CA -0.643 58.416 59.018 0.069 0.000 1.650 276 C CB 0.525 28.317 27.740 0.087 0.000 2.257 276 C HN 0.381 nan 8.230 nan 0.000 0.505 277 H N 1.235 120.349 119.070 0.072 0.000 2.489 277 H HA 0.517 5.075 4.556 0.002 0.000 0.322 277 H C -0.046 175.294 175.328 0.021 0.000 1.091 277 H CA 0.096 56.184 56.048 0.067 0.000 1.291 277 H CB 1.354 31.157 29.762 0.067 0.000 1.436 277 H HN 0.593 nan 8.280 nan 0.000 0.480 278 S N 2.746 118.522 115.700 0.126 0.000 2.532 278 S HA 0.548 5.020 4.470 0.002 0.000 0.301 278 S C -0.471 174.002 174.600 -0.211 0.000 1.083 278 S CA -0.913 57.208 58.200 -0.130 0.000 1.025 278 S CB 1.910 65.063 63.200 -0.078 0.000 1.056 278 S HN 0.523 nan 8.310 nan 0.000 0.494 279 Q N 0.655 120.034 119.800 -0.702 0.000 2.315 279 Q HA 0.667 5.008 4.340 0.002 0.000 0.273 279 Q C -1.395 173.958 176.000 -1.079 0.000 1.053 279 Q CA -0.811 54.596 55.803 -0.660 0.000 0.817 279 Q CB 2.316 30.661 28.738 -0.655 0.000 1.326 279 Q HN 0.730 nan 8.270 nan 0.000 0.423 280 A N 2.856 125.416 122.820 -0.434 0.000 2.271 280 A HA 0.794 5.115 4.320 0.002 0.000 0.317 280 A C -1.182 176.293 177.584 -0.180 0.000 1.245 280 A CA -0.320 51.632 52.037 -0.141 0.000 0.857 280 A CB 0.177 19.397 19.000 0.367 0.000 1.175 280 A HN 0.618 nan 8.150 nan 0.000 0.512 281 F N 0.550 120.583 119.950 0.140 0.000 2.556 281 F HA 0.614 5.142 4.527 0.002 0.000 0.327 281 F C 0.631 176.511 175.800 0.133 0.000 1.059 281 F CA -0.663 57.410 58.000 0.122 0.000 0.953 281 F CB 2.830 41.877 39.000 0.078 0.000 1.227 281 F HN 0.362 nan 8.300 nan 0.000 0.478 282 T N 3.213 117.996 114.554 0.382 0.000 3.009 282 T HA 0.472 4.823 4.350 0.002 0.000 0.346 282 T C -0.550 174.251 174.700 0.169 0.000 1.092 282 T CA -0.338 61.930 62.100 0.279 0.000 1.080 282 T CB 0.166 69.242 68.868 0.346 0.000 1.037 282 T HN 0.282 nan 8.240 nan 0.000 0.487 283 I N 3.046 123.618 120.570 0.003 0.000 2.321 283 I HA 0.421 4.592 4.170 0.002 0.000 0.291 283 I C 0.208 176.042 176.117 -0.472 0.000 0.998 283 I CA -0.941 60.224 61.300 -0.225 0.000 1.227 283 I CB 1.185 39.055 38.000 -0.216 0.000 1.368 283 I HN 0.192 nan 8.210 nan 0.000 0.466 284 K N 7.914 127.775 120.400 -0.898 0.000 2.262 284 K HA 0.497 4.818 4.320 0.002 0.000 0.282 284 K C -1.056 175.075 176.600 -0.782 0.000 1.066 284 K CA -0.136 55.436 56.287 -1.192 0.000 0.901 284 K CB 0.487 31.703 32.500 -2.139 0.000 1.089 284 K HN 0.534 nan 8.250 nan 0.000 0.476 285 L N 4.817 125.690 121.223 -0.583 0.000 2.399 285 L HA 0.328 4.669 4.340 0.002 0.000 0.266 285 L C 1.178 177.840 176.870 -0.347 0.000 1.114 285 L CA -0.532 54.069 54.840 -0.398 0.000 0.804 285 L CB 1.100 42.988 42.059 -0.286 0.000 1.146 285 L HN 0.710 nan 8.230 nan 0.000 0.451 286 K N 0.753 121.000 120.400 -0.256 0.000 2.296 286 K HA 0.035 4.356 4.320 0.002 0.000 0.200 286 K C 0.372 176.888 176.600 -0.140 0.000 1.048 286 K CA 0.841 57.018 56.287 -0.184 0.000 0.966 286 K CB 0.282 32.698 32.500 -0.140 0.000 0.754 286 K HN 0.388 nan 8.250 nan 0.000 0.466 287 K N 0.517 120.834 120.400 -0.138 0.000 2.444 287 K HA 0.104 4.426 4.320 0.002 0.000 0.252 287 K C -1.673 174.867 176.600 -0.100 0.000 0.993 287 K CA -0.682 55.545 56.287 -0.100 0.000 0.847 287 K CB 1.837 34.288 32.500 -0.082 0.000 1.340 287 K HN -0.240 nan 8.250 nan 0.000 0.446 288 D N 3.246 123.604 120.400 -0.071 0.000 2.456 288 D HA 0.211 4.852 4.640 0.002 0.000 0.219 288 D C -0.923 175.348 176.300 -0.047 0.000 1.126 288 D CA -0.290 53.676 54.000 -0.057 0.000 0.890 288 D CB 0.375 41.153 40.800 -0.036 0.000 1.025 288 D HN 0.231 nan 8.370 nan 0.000 0.511 289 L N 4.217 125.408 121.223 -0.053 0.000 2.334 289 L HA 0.540 4.882 4.340 0.002 0.000 0.273 289 L C -2.028 174.822 176.870 -0.033 0.000 1.013 289 L CA -2.111 52.703 54.840 -0.043 0.000 0.816 289 L CB 1.082 43.110 42.059 -0.051 0.000 1.278 289 L HN 0.169 nan 8.230 nan 0.000 0.431 290 P HA 0.102 nan 4.420 nan 0.000 0.272 290 P C 0.820 178.110 177.300 -0.016 0.000 1.223 290 P CA -0.464 62.626 63.100 -0.017 0.000 0.784 290 P CB 0.814 32.506 31.700 -0.013 0.000 0.923 291 L N 2.460 123.677 121.223 -0.010 0.000 2.079 291 L HA -0.185 4.156 4.340 0.002 0.000 0.210 291 L C 1.952 178.819 176.870 -0.005 0.000 1.081 291 L CA 1.941 56.778 54.840 -0.006 0.000 0.752 291 L CB -0.985 41.075 42.059 0.001 0.000 0.896 291 L HN 0.456 nan 8.230 nan 0.000 0.433 292 E N -0.960 119.237 120.200 -0.005 0.000 2.150 292 E HA -0.255 4.096 4.350 0.002 0.000 0.193 292 E C 2.058 178.654 176.600 -0.007 0.000 0.985 292 E CA 1.054 57.452 56.400 -0.004 0.000 0.814 292 E CB 0.006 29.704 29.700 -0.004 0.000 0.752 292 E HN 0.642 nan 8.360 nan 0.000 0.466 293 E N 0.112 120.305 120.200 -0.012 0.000 2.112 293 E HA -0.132 4.220 4.350 0.002 0.000 0.190 293 E C 2.024 178.613 176.600 -0.018 0.000 0.979 293 E CA 0.624 57.015 56.400 -0.015 0.000 0.814 293 E CB 0.077 29.765 29.700 -0.019 0.000 0.762 293 E HN 0.305 nan 8.360 nan 0.000 0.460 294 I N 0.957 121.513 120.570 -0.022 0.000 2.315 294 I HA -0.212 3.960 4.170 0.002 0.000 0.248 294 I C 2.171 178.279 176.117 -0.015 0.000 1.117 294 I CA 1.013 62.296 61.300 -0.028 0.000 1.404 294 I CB -0.190 37.789 38.000 -0.036 0.000 1.071 294 I HN 0.090 nan 8.210 nan 0.000 0.419 295 E N 0.523 120.720 120.200 -0.004 0.000 2.110 295 E HA -0.253 4.099 4.350 0.002 0.000 0.193 295 E C 2.213 178.818 176.600 0.007 0.000 0.988 295 E CA 1.067 57.471 56.400 0.006 0.000 0.804 295 E CB -0.024 29.682 29.700 0.009 0.000 0.745 295 E HN 0.571 nan 8.360 nan 0.000 0.458 296 Q N 0.104 119.905 119.800 0.002 0.000 2.137 296 Q HA -0.066 4.276 4.340 0.002 0.000 0.198 296 Q C 2.239 178.243 176.000 0.008 0.000 0.960 296 Q CA 0.766 56.571 55.803 0.003 0.000 0.847 296 Q CB 0.069 28.806 28.738 -0.002 0.000 0.915 296 Q HN 0.318 nan 8.270 nan 0.000 0.448 297 I N 0.500 121.071 120.570 0.002 0.000 2.286 297 I HA -0.279 3.892 4.170 0.002 0.000 0.248 297 I C 2.085 178.215 176.117 0.023 0.000 1.115 297 I CA 1.117 62.421 61.300 0.007 0.000 1.392 297 I CB -0.134 37.857 38.000 -0.015 0.000 1.065 297 I HN 0.203 nan 8.210 nan 0.000 0.418 298 I N 0.552 121.130 120.570 0.013 0.000 2.233 298 I HA -0.236 3.935 4.170 0.002 0.000 0.243 298 I C 2.769 178.918 176.117 0.053 0.000 1.093 298 I CA 1.277 62.590 61.300 0.021 0.000 1.380 298 I CB -0.436 37.573 38.000 0.014 0.000 1.067 298 I HN 0.147 nan 8.210 nan 0.000 0.413 299 A N -0.090 122.754 122.820 0.040 0.000 1.972 299 A HA -0.157 4.165 4.320 0.002 0.000 0.219 299 A C 2.370 179.973 177.584 0.032 0.000 1.169 299 A CA 1.976 54.035 52.037 0.035 0.000 0.635 299 A CB -0.539 18.473 19.000 0.020 0.000 0.810 299 A HN 0.395 nan 8.150 nan 0.000 0.446 300 S N -1.412 114.310 115.700 0.035 0.000 2.527 300 S HA -0.036 4.435 4.470 0.002 0.000 0.222 300 S C 1.690 176.309 174.600 0.032 0.000 0.985 300 S CA 0.340 58.551 58.200 0.019 0.000 0.921 300 S CB -0.469 62.736 63.200 0.010 0.000 0.772 300 S HN 0.760 nan 8.310 nan 0.000 0.529 301 H N 2.987 122.049 119.070 -0.013 0.000 2.290 301 H HA -0.075 4.482 4.556 0.002 0.000 0.298 301 H C 0.532 175.858 175.328 -0.003 0.000 1.087 301 H CA 1.915 57.961 56.048 -0.003 0.000 1.291 301 H CB 0.082 29.850 29.762 0.009 0.000 1.369 301 H HN 0.596 nan 8.280 nan 0.000 0.492 302 N N -1.202 117.482 118.700 -0.027 0.000 2.647 302 N HA 0.010 4.751 4.740 0.002 0.000 0.266 302 N C 0.185 175.612 175.510 -0.139 0.000 1.373 302 N CA -0.348 52.653 53.050 -0.082 0.000 0.807 302 N CB 0.777 39.340 38.487 0.125 0.000 1.513 302 N HN 0.220 nan 8.380 nan 0.000 0.505 303 E N -0.849 119.093 120.200 -0.430 0.000 2.481 303 E HA -0.041 4.311 4.350 0.002 0.000 0.195 303 E C -0.090 176.201 176.600 -0.516 0.000 1.047 303 E CA 0.281 56.342 56.400 -0.565 0.000 0.867 303 E CB -0.112 29.110 29.700 -0.797 0.000 0.858 303 E HN 0.671 nan 8.360 nan 0.000 0.513 304 W N 1.411 122.707 121.300 -0.007 0.000 2.630 304 W HA 0.248 4.909 4.660 0.002 0.000 0.271 304 W C 1.090 177.610 176.519 0.001 0.000 1.244 304 W CA -0.466 56.891 57.345 0.019 0.000 1.353 304 W CB 0.024 29.486 29.460 0.003 0.000 1.080 304 W HN -0.106 nan 8.180 nan 0.000 0.594 305 V N 3.095 123.115 119.914 0.176 0.000 2.655 305 V HA 0.061 4.182 4.120 0.002 0.000 0.300 305 V C -0.024 176.120 176.094 0.083 0.000 1.044 305 V CA 0.539 62.908 62.300 0.116 0.000 1.095 305 V CB 0.814 32.699 31.823 0.102 0.000 0.952 305 V HN -0.034 nan 8.190 nan 0.000 0.485 306 K N 5.200 125.650 120.400 0.083 0.000 2.507 306 K HA 0.512 4.833 4.320 0.002 0.000 0.252 306 K C -1.440 175.199 176.600 0.063 0.000 0.943 306 K CA -0.713 55.613 56.287 0.065 0.000 0.808 306 K CB 1.996 34.540 32.500 0.072 0.000 1.142 306 K HN 0.562 nan 8.250 nan 0.000 0.426 307 V N 6.137 126.081 119.914 0.050 0.000 2.405 307 V HA 0.174 4.296 4.120 0.002 0.000 0.264 307 V C 0.179 176.300 176.094 0.045 0.000 1.048 307 V CA -0.512 61.817 62.300 0.049 0.000 0.966 307 V CB 0.576 32.422 31.823 0.038 0.000 1.015 307 V HN 0.604 nan 8.190 nan 0.000 0.477 308 I N 8.734 129.336 120.570 0.054 0.000 2.312 308 I HA 0.326 4.497 4.170 0.002 0.000 0.291 308 I C -1.691 174.449 176.117 0.039 0.000 1.031 308 I CA -2.948 58.381 61.300 0.047 0.000 1.293 308 I CB 0.975 39.010 38.000 0.058 0.000 1.403 308 I HN 0.396 nan 8.210 nan 0.000 0.484 309 P HA -0.027 nan 4.420 nan 0.000 0.267 309 P C 0.117 177.428 177.300 0.018 0.000 1.200 309 P CA -0.180 62.932 63.100 0.021 0.000 0.772 309 P CB 0.731 32.440 31.700 0.015 0.000 0.855 310 N N 1.656 120.365 118.700 0.015 0.000 3.167 310 N HA -0.047 4.694 4.740 0.002 0.000 0.318 310 N C -0.667 174.843 175.510 0.001 0.000 1.268 310 N CA 0.048 53.103 53.050 0.009 0.000 1.197 310 N CB -0.349 38.145 38.487 0.012 0.000 1.464 310 N HN 0.426 nan 8.380 nan 0.000 0.555 311 D N 0.051 120.450 120.400 -0.001 0.000 2.481 311 D HA 0.138 4.779 4.640 0.002 0.000 0.244 311 D C 1.027 177.321 176.300 -0.011 0.000 1.057 311 D CA -0.726 53.271 54.000 -0.004 0.000 0.848 311 D CB 1.772 42.572 40.800 -0.000 0.000 1.388 311 D HN -0.044 nan 8.370 nan 0.000 0.475 312 K N 2.004 122.395 120.400 -0.015 0.000 1.991 312 K HA -0.222 4.099 4.320 0.002 0.000 0.212 312 K C 1.523 178.113 176.600 -0.017 0.000 1.049 312 K CA 1.590 57.864 56.287 -0.021 0.000 0.932 312 K CB 0.028 32.516 32.500 -0.020 0.000 0.717 312 K HN 0.614 nan 8.250 nan 0.000 0.441 313 E N 0.298 120.492 120.200 -0.010 0.000 2.085 313 E HA -0.203 4.148 4.350 0.002 0.000 0.194 313 E C 1.998 178.597 176.600 -0.002 0.000 0.994 313 E CA 1.631 58.028 56.400 -0.006 0.000 0.801 313 E CB -0.070 29.628 29.700 -0.003 0.000 0.743 313 E HN 0.407 nan 8.360 nan 0.000 0.453 314 I N 0.268 120.838 120.570 0.000 0.000 2.353 314 I HA -0.197 3.974 4.170 0.002 0.000 0.248 314 I C 2.365 178.487 176.117 0.007 0.000 1.119 314 I CA 1.090 62.394 61.300 0.007 0.000 1.417 314 I CB -0.244 37.762 38.000 0.010 0.000 1.078 314 I HN 0.112 nan 8.210 nan 0.000 0.421 315 T N 1.147 115.700 114.554 -0.003 0.000 2.821 315 T HA -0.097 4.255 4.350 0.002 0.000 0.267 315 T C 1.833 176.523 174.700 -0.017 0.000 1.046 315 T CA 1.157 63.251 62.100 -0.010 0.000 1.139 315 T CB -0.167 68.681 68.868 -0.034 0.000 0.871 315 T HN 0.087 nan 8.240 nan 0.000 0.454 316 L N 0.570 121.780 121.223 -0.021 0.000 2.201 316 L HA 0.134 4.475 4.340 0.002 0.000 0.212 316 L C 2.472 179.340 176.870 -0.002 0.000 1.105 316 L CA 1.415 56.243 54.840 -0.020 0.000 0.775 316 L CB -0.446 41.600 42.059 -0.021 0.000 0.913 316 L HN 0.099 nan 8.230 nan 0.000 0.440 317 R N -1.103 119.400 120.500 0.006 0.000 2.112 317 R HA -0.027 4.315 4.340 0.002 0.000 0.216 317 R C 1.769 178.085 176.300 0.026 0.000 1.080 317 R CA 0.734 56.843 56.100 0.015 0.000 0.996 317 R CB 0.308 30.617 30.300 0.014 0.000 0.902 317 R HN 0.257 nan 8.270 nan 0.000 0.449 318 E N 0.203 120.421 120.200 0.029 0.000 2.132 318 E HA -0.043 4.309 4.350 0.002 0.000 0.193 318 E C 0.447 177.083 176.600 0.061 0.000 0.951 318 E CA 0.247 56.674 56.400 0.045 0.000 0.843 318 E CB -0.002 29.726 29.700 0.046 0.000 0.807 318 E HN 0.098 nan 8.360 nan 0.000 0.467 319 L N 2.847 124.106 121.223 0.061 0.000 2.727 319 L HA 0.135 4.477 4.340 0.002 0.000 0.237 319 L C -0.295 176.638 176.870 0.104 0.000 1.370 319 L CA 0.284 55.184 54.840 0.101 0.000 1.248 319 L CB -0.770 41.356 42.059 0.112 0.000 1.556 319 L HN 0.021 nan 8.230 nan 0.000 0.420 320 T N -3.137 111.470 114.554 0.089 0.000 2.883 320 T HA 0.484 4.835 4.350 0.002 0.000 0.301 320 T C -2.299 172.452 174.700 0.085 0.000 1.158 320 T CA -1.608 60.540 62.100 0.080 0.000 1.007 320 T CB 1.763 70.655 68.868 0.040 0.000 1.186 320 T HN -0.182 nan 8.240 nan 0.000 0.499 321 P HA 0.020 nan 4.420 nan 0.000 0.218 321 P C 1.702 179.042 177.300 0.067 0.000 1.149 321 P CA 1.434 64.584 63.100 0.084 0.000 0.817 321 P CB -0.209 31.546 31.700 0.090 0.000 0.785 322 A N -0.221 122.633 122.820 0.057 0.000 1.908 322 A HA -0.260 4.061 4.320 0.002 0.000 0.218 322 A C 2.261 179.873 177.584 0.047 0.000 1.181 322 A CA 2.273 54.338 52.037 0.046 0.000 0.627 322 A CB -0.990 18.032 19.000 0.037 0.000 0.818 322 A HN 0.086 nan 8.150 nan 0.000 0.445 323 K N -0.352 120.079 120.400 0.051 0.000 2.098 323 K HA -0.010 4.311 4.320 0.002 0.000 0.203 323 K C 1.728 178.366 176.600 0.063 0.000 1.051 323 K CA 1.512 57.831 56.287 0.053 0.000 0.957 323 K CB -0.410 32.122 32.500 0.054 0.000 0.738 323 K HN 0.416 nan 8.250 nan 0.000 0.447 324 V N -0.100 119.858 119.914 0.072 0.000 3.306 324 V HA 0.110 4.231 4.120 0.002 0.000 0.264 324 V C -0.014 176.123 176.094 0.073 0.000 1.149 324 V CA 0.408 62.757 62.300 0.083 0.000 1.143 324 V CB -0.697 31.186 31.823 0.100 0.000 0.767 324 V HN 0.156 nan 8.190 nan 0.000 0.476 325 T N 2.517 117.107 114.554 0.060 0.000 2.831 325 T HA 0.401 4.752 4.350 0.002 0.000 0.291 325 T C 1.265 175.988 174.700 0.038 0.000 0.981 325 T CA 1.240 63.368 62.100 0.046 0.000 1.174 325 T CB 0.061 68.955 68.868 0.043 0.000 0.929 325 T HN 1.341 nan 8.240 nan 0.000 0.532 326 G N 3.137 111.953 108.800 0.026 0.000 2.179 326 G HA2 -0.263 3.698 3.960 0.002 0.000 0.260 326 G HA3 -0.263 3.698 3.960 0.002 0.000 0.260 326 G C 0.357 175.272 174.900 0.024 0.000 0.977 326 G CA 0.372 45.482 45.100 0.015 0.000 0.641 326 G HN 1.143 nan 8.290 nan 0.000 0.533 327 T N -2.103 112.481 114.554 0.050 0.000 2.950 327 T HA 0.728 5.080 4.350 0.002 0.000 0.288 327 T C 1.280 176.046 174.700 0.110 0.000 1.035 327 T CA -0.546 61.603 62.100 0.081 0.000 1.028 327 T CB 1.831 70.762 68.868 0.104 0.000 1.109 327 T HN 0.255 nan 8.240 nan 0.000 0.514 328 L N 0.944 122.270 121.223 0.172 0.000 2.591 328 L HA 0.210 4.552 4.340 0.002 0.000 0.228 328 L C 1.615 178.786 176.870 0.500 0.000 1.133 328 L CA -0.119 54.893 54.840 0.286 0.000 0.880 328 L CB -0.081 42.158 42.059 0.300 0.000 1.033 328 L HN 0.726 nan 8.230 nan 0.000 0.450 329 S N 0.401 116.313 115.700 0.353 0.000 2.533 329 S HA 0.188 4.659 4.470 0.002 0.000 0.282 329 S C 0.021 174.770 174.600 0.248 0.000 1.304 329 S CA -0.359 58.024 58.200 0.305 0.000 1.063 329 S CB 0.812 64.133 63.200 0.202 0.000 0.881 329 S HN 0.006 nan 8.310 nan 0.000 0.493 330 V N 8.753 128.796 119.914 0.215 0.000 2.225 330 V HA 0.346 4.468 4.120 0.002 0.000 0.264 330 V C -2.045 174.120 176.094 0.119 0.000 1.067 330 V CA -1.578 60.809 62.300 0.144 0.000 0.903 330 V CB 0.681 32.549 31.823 0.075 0.000 1.136 330 V HN 0.740 nan 8.190 nan 0.000 0.456 331 P HA 0.249 nan 4.420 nan 0.000 0.275 331 P C -0.709 176.652 177.300 0.102 0.000 1.228 331 P CA 0.068 63.230 63.100 0.103 0.000 0.786 331 P CB 2.616 34.377 31.700 0.102 0.000 0.927 332 V N 2.407 122.383 119.914 0.103 0.000 2.623 332 V HA 0.786 4.907 4.120 0.002 0.000 0.304 332 V C -0.130 176.034 176.094 0.116 0.000 1.054 332 V CA -0.109 62.260 62.300 0.116 0.000 0.882 332 V CB 1.570 33.465 31.823 0.120 0.000 1.002 332 V HN 0.871 nan 8.190 nan 0.000 0.424 333 G N 4.236 113.123 108.800 0.145 0.000 3.021 333 G HA2 0.597 4.559 3.960 0.002 0.000 0.290 333 G HA3 0.597 4.559 3.960 0.002 0.000 0.290 333 G C -0.388 174.591 174.900 0.132 0.000 1.291 333 G CA -0.654 44.517 45.100 0.119 0.000 0.834 333 G HN 0.750 nan 8.290 nan 0.000 0.564 334 R N -1.466 119.085 120.500 0.085 0.000 3.758 334 R HA -0.140 4.202 4.340 0.002 0.000 0.299 334 R C -0.045 176.302 176.300 0.078 0.000 1.182 334 R CA 0.286 56.425 56.100 0.066 0.000 0.809 334 R CB -2.574 27.765 30.300 0.065 0.000 1.249 334 R HN 0.432 nan 8.270 nan 0.000 0.497 335 L N 1.804 123.070 121.223 0.071 0.000 2.369 335 L HA 0.228 4.570 4.340 0.002 0.000 0.279 335 L C 1.189 178.085 176.870 0.044 0.000 1.108 335 L CA 0.355 55.233 54.840 0.063 0.000 0.852 335 L CB 0.344 42.436 42.059 0.054 0.000 1.169 335 L HN 0.268 nan 8.230 nan 0.000 0.452 336 R N 2.135 122.662 120.500 0.045 0.000 2.741 336 R HA 0.552 4.893 4.340 0.002 0.000 0.274 336 R C -1.612 174.711 176.300 0.038 0.000 1.029 336 R CA -1.247 54.874 56.100 0.034 0.000 0.880 336 R CB 0.933 31.251 30.300 0.030 0.000 1.264 336 R HN 0.009 nan 8.270 nan 0.000 0.465 337 K N 1.267 121.686 120.400 0.032 0.000 2.172 337 K HA 0.402 4.724 4.320 0.002 0.000 0.276 337 K C -0.269 176.358 176.600 0.046 0.000 1.013 337 K CA -0.534 55.778 56.287 0.041 0.000 0.913 337 K CB 1.073 33.592 32.500 0.031 0.000 1.055 337 K HN 0.477 nan 8.250 nan 0.000 0.461 338 L N 1.321 122.583 121.223 0.066 0.000 2.399 338 L HA 0.187 4.529 4.340 0.002 0.000 0.266 338 L C 1.531 178.400 176.870 -0.001 0.000 1.114 338 L CA -0.282 54.582 54.840 0.040 0.000 0.804 338 L CB 0.985 43.080 42.059 0.059 0.000 1.146 338 L HN 0.745 nan 8.230 nan 0.000 0.451 339 A N 3.369 126.173 122.820 -0.026 0.000 2.186 339 A HA -0.137 4.185 4.320 0.002 0.000 0.219 339 A C 1.630 179.162 177.584 -0.087 0.000 1.159 339 A CA 1.287 53.299 52.037 -0.042 0.000 0.680 339 A CB -0.537 18.444 19.000 -0.033 0.000 0.787 339 A HN 0.794 nan 8.150 nan 0.000 0.467 340 M N -2.152 117.337 119.600 -0.186 0.000 2.505 340 M HA 0.423 4.905 4.480 0.002 0.000 0.230 340 M C 0.602 176.745 176.300 -0.262 0.000 1.153 340 M CA 0.695 55.800 55.300 -0.324 0.000 0.997 340 M CB -0.519 31.723 32.600 -0.598 0.000 1.606 340 M HN 0.462 nan 8.290 nan 0.000 0.481 341 G N 1.342 110.119 108.800 -0.037 0.000 2.351 341 G HA2 0.098 4.059 3.960 0.002 0.000 0.472 341 G HA3 0.098 4.059 3.960 0.002 0.000 0.472 341 G C -3.174 171.841 174.900 0.192 0.000 1.570 341 G CA -1.023 44.162 45.100 0.141 0.000 0.921 341 G HN -0.014 nan 8.290 nan 0.000 0.674 342 P HA 0.086 nan 4.420 nan 0.000 0.239 342 P C 1.033 178.352 177.300 0.031 0.000 1.184 342 P CA 0.922 64.058 63.100 0.060 0.000 0.760 342 P CB 0.260 31.976 31.700 0.027 0.000 0.884 343 E N -2.241 117.984 120.200 0.042 0.000 2.474 343 E HA 0.023 4.375 4.350 0.002 0.000 0.195 343 E C -0.288 176.148 176.600 -0.273 0.000 1.039 343 E CA 0.016 56.334 56.400 -0.136 0.000 0.881 343 E CB 0.090 29.659 29.700 -0.219 0.000 0.970 343 E HN 0.382 nan 8.360 nan 0.000 0.486 344 Y N 0.942 121.167 120.300 -0.124 0.000 2.342 344 Y HA 0.300 4.851 4.550 0.002 0.000 0.338 344 Y C -0.236 175.611 175.900 -0.088 0.000 0.965 344 Y CA -0.994 57.022 58.100 -0.140 0.000 1.159 344 Y CB 0.972 39.381 38.460 -0.085 0.000 1.157 344 Y HN -0.034 nan 8.280 nan 0.000 0.486 345 L N 3.591 124.820 121.223 0.010 0.000 2.317 345 L HA 0.872 5.214 4.340 0.002 0.000 0.281 345 L C -0.404 176.512 176.870 0.077 0.000 1.024 345 L CA -0.508 54.346 54.840 0.023 0.000 0.810 345 L CB 1.177 43.214 42.059 -0.036 0.000 1.240 345 L HN 0.641 nan 8.230 nan 0.000 0.427 346 A N 4.242 127.120 122.820 0.097 0.000 2.301 346 A HA 0.921 5.243 4.320 0.002 0.000 0.312 346 A C -0.628 177.050 177.584 0.156 0.000 1.182 346 A CA 0.105 52.224 52.037 0.136 0.000 0.826 346 A CB 0.792 19.858 19.000 0.111 0.000 1.134 346 A HN 1.215 nan 8.150 nan 0.000 0.501 347 A N 1.405 124.360 122.820 0.225 0.000 2.517 347 A HA 0.694 5.015 4.320 0.002 0.000 0.297 347 A C -1.526 176.190 177.584 0.220 0.000 1.050 347 A CA -0.320 51.871 52.037 0.258 0.000 0.694 347 A CB 0.910 20.120 19.000 0.350 0.000 1.277 347 A HN 1.349 nan 8.150 nan 0.000 0.400 348 F N 1.299 121.258 119.950 0.015 0.000 2.518 348 F HA 0.734 5.263 4.527 0.002 0.000 0.323 348 F C 0.070 175.835 175.800 -0.060 0.000 1.129 348 F CA 0.106 58.040 58.000 -0.110 0.000 0.920 348 F CB 2.316 41.249 39.000 -0.111 0.000 1.160 348 F HN 0.645 nan 8.300 nan 0.000 0.440 349 T N 4.727 118.921 114.554 -0.601 0.000 2.916 349 T HA 0.801 5.153 4.350 0.002 0.000 0.292 349 T C -1.851 172.641 174.700 -0.347 0.000 1.055 349 T CA -0.496 61.452 62.100 -0.253 0.000 1.009 349 T CB 1.463 70.316 68.868 -0.024 0.000 1.118 349 T HN 0.386 nan 8.240 nan 0.000 0.497 350 V N 2.198 122.072 119.914 -0.068 0.000 2.623 350 V HA 0.860 4.982 4.120 0.002 0.000 0.304 350 V C 0.342 176.474 176.094 0.063 0.000 1.054 350 V CA -0.591 61.709 62.300 0.001 0.000 0.882 350 V CB 1.636 33.513 31.823 0.089 0.000 1.002 350 V HN 1.142 nan 8.190 nan 0.000 0.424 351 G N 1.524 110.372 108.800 0.080 0.000 2.696 351 G HA2 0.482 4.444 3.960 0.002 0.000 0.295 351 G HA3 0.482 4.444 3.960 0.002 0.000 0.295 351 G C -1.641 173.311 174.900 0.087 0.000 1.398 351 G CA -0.485 44.681 45.100 0.110 0.000 0.920 351 G HN 0.599 nan 8.290 nan 0.000 0.492 352 D N 0.744 121.198 120.400 0.089 0.000 2.371 352 D HA 0.008 4.649 4.640 0.002 0.000 0.256 352 D C 1.076 177.357 176.300 -0.031 0.000 1.193 352 D CA -0.223 53.791 54.000 0.025 0.000 0.881 352 D CB 1.434 42.251 40.800 0.027 0.000 1.143 352 D HN 0.411 nan 8.370 nan 0.000 0.473 353 Q N 4.058 123.767 119.800 -0.151 0.000 2.084 353 Q HA -0.142 4.199 4.340 0.002 0.000 0.202 353 Q C 1.893 177.819 176.000 -0.123 0.000 0.978 353 Q CA 1.128 56.775 55.803 -0.260 0.000 0.844 353 Q CB 0.035 28.435 28.738 -0.564 0.000 0.898 353 Q HN 0.688 nan 8.270 nan 0.000 0.426 354 L N 0.221 121.387 121.223 -0.094 0.000 2.291 354 L HA -0.102 4.239 4.340 0.002 0.000 0.214 354 L C 2.127 178.938 176.870 -0.098 0.000 1.120 354 L CA 0.263 55.060 54.840 -0.072 0.000 0.799 354 L CB -0.130 41.897 42.059 -0.054 0.000 0.925 354 L HN 0.172 nan 8.230 nan 0.000 0.446 355 L N -2.006 119.143 121.223 -0.123 0.000 2.292 355 L HA -0.011 4.331 4.340 0.002 0.000 0.196 355 L C 1.995 178.683 176.870 -0.303 0.000 1.246 355 L CA 0.765 55.453 54.840 -0.253 0.000 0.864 355 L CB -0.657 41.228 42.059 -0.289 0.000 1.044 355 L HN 0.113 nan 8.230 nan 0.000 0.504 356 W N 0.140 121.377 121.300 -0.106 0.000 2.525 356 W HA -0.022 4.639 4.660 0.003 0.000 0.259 356 W C 1.976 178.454 176.519 -0.070 0.000 1.253 356 W CA 0.651 57.925 57.345 -0.118 0.000 1.262 356 W CB -0.243 29.139 29.460 -0.130 0.000 1.122 356 W HN 0.267 nan 8.180 nan 0.000 0.607 357 G N -1.178 107.692 108.800 0.117 0.000 3.088 357 G HA2 0.362 4.323 3.960 0.002 0.000 0.217 357 G HA3 0.362 4.323 3.960 0.002 0.000 0.217 357 G C 0.769 175.692 174.900 0.038 0.000 1.159 357 G CA 0.654 45.802 45.100 0.079 0.000 0.760 357 G HN 0.218 nan 8.290 nan 0.000 0.550 358 A N -0.380 122.440 122.820 -0.000 0.000 1.691 358 A HA 0.676 4.997 4.320 0.002 0.000 0.137 358 A C 2.042 179.605 177.584 -0.036 0.000 1.444 358 A CA 1.232 53.266 52.037 -0.006 0.000 1.955 358 A CB -0.931 18.064 19.000 -0.009 0.000 1.909 358 A HN 0.623 nan 8.150 nan 0.000 1.201 359 A N -0.217 122.555 122.820 -0.081 0.000 1.929 359 A HA 0.029 4.350 4.320 0.002 0.000 0.216 359 A C 1.732 179.209 177.584 -0.179 0.000 1.176 359 A CA 1.841 53.816 52.037 -0.102 0.000 0.628 359 A CB -0.449 18.494 19.000 -0.095 0.000 0.816 359 A HN 0.431 nan 8.150 nan 0.000 0.444 360 E N -0.298 119.709 120.200 -0.323 0.000 2.077 360 E HA -0.119 4.232 4.350 0.002 0.000 0.193 360 E C -0.365 176.030 176.600 -0.341 0.000 0.989 360 E CA 1.551 57.633 56.400 -0.530 0.000 0.800 360 E CB -1.531 27.430 29.700 -1.231 0.000 0.746 360 E HN 0.443 nan 8.360 nan 0.000 0.452 361 P HA -0.061 nan 4.420 nan 0.000 0.221 361 P C 1.644 178.934 177.300 -0.018 0.000 1.150 361 P CA 0.688 63.794 63.100 0.010 0.000 0.800 361 P CB 0.145 31.903 31.700 0.095 0.000 0.787 362 V N -0.034 119.857 119.914 -0.038 0.000 2.323 362 V HA -0.184 3.938 4.120 0.002 0.000 0.244 362 V C 2.635 178.697 176.094 -0.053 0.000 1.041 362 V CA 1.582 63.868 62.300 -0.023 0.000 1.025 362 V CB -0.899 30.921 31.823 -0.005 0.000 0.656 362 V HN 0.068 nan 8.190 nan 0.000 0.451 363 R N 0.183 120.629 120.500 -0.091 0.000 2.081 363 R HA -0.144 4.198 4.340 0.002 0.000 0.235 363 R C 2.504 178.737 176.300 -0.112 0.000 1.131 363 R CA 1.575 57.609 56.100 -0.111 0.000 0.960 363 R CB -0.154 30.048 30.300 -0.163 0.000 0.856 363 R HN 0.426 nan 8.270 nan 0.000 0.436 364 R N -0.059 120.374 120.500 -0.111 0.000 2.115 364 R HA -0.102 4.239 4.340 0.002 0.000 0.230 364 R C 2.245 178.495 176.300 -0.084 0.000 1.111 364 R CA 1.093 57.147 56.100 -0.076 0.000 0.976 364 R CB -0.315 29.966 30.300 -0.032 0.000 0.870 364 R HN 0.223 nan 8.270 nan 0.000 0.445 365 I N 0.773 121.285 120.570 -0.097 0.000 2.500 365 I HA -0.159 4.012 4.170 0.002 0.000 0.252 365 I C 1.849 177.836 176.117 -0.216 0.000 1.142 365 I CA 0.852 62.050 61.300 -0.170 0.000 1.451 365 I CB -0.053 37.854 38.000 -0.155 0.000 1.093 365 I HN 0.032 nan 8.210 nan 0.000 0.430 366 L N 0.812 121.941 121.223 -0.155 0.000 2.056 366 L HA -0.170 4.171 4.340 0.002 0.000 0.207 366 L C 2.431 179.208 176.870 -0.154 0.000 1.078 366 L CA 1.919 56.666 54.840 -0.156 0.000 0.749 366 L CB -1.043 40.957 42.059 -0.099 0.000 0.901 366 L HN 0.250 nan 8.230 nan 0.000 0.433 367 K N -0.954 119.369 120.400 -0.129 0.000 2.103 367 K HA -0.228 4.094 4.320 0.002 0.000 0.207 367 K C 2.081 178.609 176.600 -0.119 0.000 1.048 367 K CA 1.884 58.105 56.287 -0.109 0.000 0.930 367 K CB -0.088 32.361 32.500 -0.084 0.000 0.716 367 K HN 0.542 nan 8.250 nan 0.000 0.444 368 Q N 0.090 119.800 119.800 -0.149 0.000 2.123 368 Q HA -0.059 4.282 4.340 0.002 0.000 0.199 368 Q C 2.114 177.979 176.000 -0.226 0.000 0.966 368 Q CA 0.998 56.700 55.803 -0.169 0.000 0.845 368 Q CB 0.094 28.719 28.738 -0.189 0.000 0.907 368 Q HN 0.343 nan 8.270 nan 0.000 0.439 369 L N 0.284 121.325 121.223 -0.302 0.000 2.291 369 L HA -0.071 4.270 4.340 0.002 0.000 0.214 369 L C 2.058 178.777 176.870 -0.250 0.000 1.120 369 L CA 0.502 55.106 54.840 -0.392 0.000 0.799 369 L CB -0.117 41.609 42.059 -0.555 0.000 0.925 369 L HN 0.172 nan 8.230 nan 0.000 0.446 370 V N -3.930 115.883 119.914 -0.169 0.000 3.647 370 V HA 0.395 4.516 4.120 0.002 0.000 0.279 370 V C 1.253 177.302 176.094 -0.076 0.000 1.314 370 V CA -0.047 62.191 62.300 -0.103 0.000 1.125 370 V CB -0.749 31.029 31.823 -0.075 0.000 0.907 370 V HN 0.147 nan 8.190 nan 0.000 0.434 371 A N 0.000 122.768 122.820 -0.087 0.000 2.254 371 A HA 0.000 4.321 4.320 0.002 0.000 0.244 371 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 371 A CB 0.000 18.961 19.000 -0.066 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486