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 3dr7_1_B DATA FIRST_RESID 5 DATA SEQUENCE PRISVAAPRL DGNERDYVLE CMDTTWISSV GRFIVEFEKA FADYCGVKHA DATA SEQUENCE IACNNGTTAL HLALVAMGIG PGDEVIVPSL TYIASANSVT YCGATPVLVD DATA SEQUENCE NDPRTFNLDA AKLEALITPR TKAIMPVHLY GQICDMDPIL EVARRHNLLV DATA SEQUENCE IEDAAEAVGA TYRGKKSGSL GDCATFSFFG NXIITTGEGG MITTNDDDLA DATA SEQUENCE AKMRLLRGQG MDPNRRYWFP IVGFNYRMTN IQAAIGLAQL ERVDEHLAAR DATA SEQUENCE ERVVGWYEQK LARLGNRVTK PHVALTGRHV FWMYTVRLGE GLSTTRDQVI DATA SEQUENCE KDLDALGIES RPVFHPMHIM PPYAHLATDD LKIAEACGVD GLNLPTHAGL DATA SEQUENCE TEADIDRVIA ALDQVLV 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.302 177.300 0.004 0.000 1.155 5 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 5 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 6 R N 1.059 121.565 120.500 0.011 0.000 2.594 6 R HA 0.470 4.810 4.340 -0.000 0.000 0.272 6 R C 0.046 176.364 176.300 0.031 0.000 1.074 6 R CA -0.331 55.781 56.100 0.019 0.000 1.105 6 R CB 0.699 31.011 30.300 0.021 0.000 1.008 6 R HN 0.441 nan 8.270 nan 0.000 0.472 7 I N 1.860 122.453 120.570 0.038 0.000 2.328 7 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 7 I C 0.152 176.323 176.117 0.090 0.000 1.012 7 I CA -0.188 61.152 61.300 0.066 0.000 1.195 7 I CB 1.677 39.700 38.000 0.038 0.000 1.350 7 I HN 0.430 nan 8.210 nan 0.000 0.464 8 S N 4.074 119.852 115.700 0.130 0.000 2.580 8 S HA 0.070 4.540 4.470 -0.000 0.000 0.274 8 S C 1.001 175.701 174.600 0.168 0.000 1.329 8 S CA -0.567 57.695 58.200 0.103 0.000 1.036 8 S CB 2.183 65.394 63.200 0.018 0.000 0.919 8 S HN 0.551 nan 8.310 nan 0.000 0.515 9 V N 1.446 121.422 119.914 0.103 0.000 2.759 9 V HA 0.220 4.340 4.120 -0.000 0.000 0.256 9 V C 0.557 176.745 176.094 0.155 0.000 1.080 9 V CA 1.945 64.303 62.300 0.096 0.000 1.101 9 V CB -0.519 31.320 31.823 0.026 0.000 0.698 9 V HN 0.931 nan 8.190 nan 0.000 0.477 10 A N -1.449 121.435 122.820 0.107 0.000 2.586 10 A HA 0.920 5.240 4.320 -0.000 0.000 0.290 10 A C -0.852 176.549 177.584 -0.305 0.000 1.086 10 A CA -0.038 52.015 52.037 0.026 0.000 0.665 10 A CB 1.455 20.495 19.000 0.066 0.000 1.279 10 A HN 1.480 nan 8.150 nan 0.000 0.423 11 A N 0.517 123.116 122.820 -0.368 0.000 2.586 11 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 11 A C -3.399 174.081 177.584 -0.172 0.000 1.013 11 A CA -0.680 51.148 52.037 -0.349 0.000 0.707 11 A CB 0.683 19.345 19.000 -0.562 0.000 1.276 11 A HN 0.814 nan 8.150 nan 0.000 0.414 12 P HA 0.511 nan 4.420 nan 0.000 0.281 12 P C -0.858 176.441 177.300 -0.000 0.000 1.249 12 P CA -0.352 62.719 63.100 -0.049 0.000 0.810 12 P CB 1.067 32.716 31.700 -0.084 0.000 1.008 13 R N 2.413 122.954 120.500 0.070 0.000 2.320 13 R HA 0.387 4.727 4.340 -0.000 0.000 0.319 13 R C -0.436 175.942 176.300 0.131 0.000 0.969 13 R CA -0.560 55.617 56.100 0.128 0.000 0.857 13 R CB 0.141 30.580 30.300 0.233 0.000 1.160 13 R HN 0.463 nan 8.270 nan 0.000 0.491 14 L N 5.521 126.771 121.223 0.046 0.000 2.466 14 L HA 0.214 4.554 4.340 -0.000 0.000 0.248 14 L C 0.107 176.981 176.870 0.007 0.000 1.240 14 L CA -0.292 54.558 54.840 0.017 0.000 1.180 14 L CB 0.340 42.382 42.059 -0.029 0.000 1.413 14 L HN 0.607 nan 8.230 nan 0.000 0.406 15 D N -0.571 119.845 120.400 0.026 0.000 2.525 15 D HA 0.201 4.841 4.640 -0.000 0.000 0.229 15 D C 0.728 176.994 176.300 -0.057 0.000 1.202 15 D CA -0.202 53.784 54.000 -0.023 0.000 0.828 15 D CB 0.795 41.577 40.800 -0.031 0.000 1.008 15 D HN 0.337 nan 8.370 nan 0.000 0.493 16 G N -0.050 108.708 108.800 -0.070 0.000 3.356 16 G HA2 0.105 4.065 3.960 -0.000 0.000 0.178 16 G HA3 0.105 4.065 3.960 -0.000 0.000 0.178 16 G C 0.422 175.208 174.900 -0.190 0.000 1.175 16 G CA -0.579 44.453 45.100 -0.113 0.000 0.840 16 G HN 0.058 nan 8.290 nan 0.000 0.658 17 N N 0.534 119.036 118.700 -0.330 0.000 2.276 17 N HA 0.102 4.842 4.740 -0.000 0.000 0.212 17 N C 1.355 176.500 175.510 -0.608 0.000 1.127 17 N CA 0.081 52.787 53.050 -0.574 0.000 0.834 17 N CB 0.928 38.736 38.487 -1.132 0.000 1.014 17 N HN 0.399 nan 8.380 nan 0.000 0.491 18 E N 1.013 121.012 120.200 -0.334 0.000 2.049 18 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 18 E C 1.919 178.418 176.600 -0.168 0.000 1.007 18 E CA 1.155 57.418 56.400 -0.228 0.000 0.809 18 E CB -0.040 29.570 29.700 -0.150 0.000 0.749 18 E HN 0.277 nan 8.360 nan 0.000 0.450 19 R N 0.478 120.894 120.500 -0.139 0.000 2.083 19 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 19 R C 1.510 177.777 176.300 -0.055 0.000 1.137 19 R CA 1.816 57.866 56.100 -0.083 0.000 0.951 19 R CB -0.103 30.157 30.300 -0.066 0.000 0.851 19 R HN 0.165 nan 8.270 nan 0.000 0.434 20 D N -0.607 119.746 120.400 -0.079 0.000 2.117 20 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 20 D C 1.797 178.190 176.300 0.155 0.000 0.987 20 D CA 1.157 55.164 54.000 0.012 0.000 0.829 20 D CB -0.313 40.480 40.800 -0.013 0.000 0.961 20 D HN 0.264 nan 8.370 nan 0.000 0.460 21 Y N 0.895 121.159 120.300 -0.059 0.000 2.224 21 Y HA -0.096 4.454 4.550 -0.000 0.000 0.289 21 Y C 2.587 178.352 175.900 -0.225 0.000 1.146 21 Y CA -0.087 57.918 58.100 -0.157 0.000 1.182 21 Y CB -0.983 37.213 38.460 -0.441 0.000 0.983 21 Y HN -0.142 nan 8.280 nan 0.000 0.524 22 V N -0.217 119.681 119.914 -0.026 0.000 2.427 22 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 22 V C 2.494 178.604 176.094 0.027 0.000 1.051 22 V CA 1.182 63.454 62.300 -0.046 0.000 1.048 22 V CB -0.758 31.032 31.823 -0.056 0.000 0.666 22 V HN 0.323 nan 8.190 nan 0.000 0.456 23 L N 0.178 121.429 121.223 0.046 0.000 2.079 23 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 23 L C 2.667 179.598 176.870 0.101 0.000 1.081 23 L CA 2.262 57.138 54.840 0.060 0.000 0.752 23 L CB -0.426 41.664 42.059 0.052 0.000 0.896 23 L HN 0.539 nan 8.230 nan 0.000 0.433 24 E N -0.612 119.685 120.200 0.162 0.000 2.110 24 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 24 E C 2.294 179.031 176.600 0.228 0.000 0.988 24 E CA 1.696 58.224 56.400 0.215 0.000 0.804 24 E CB -0.199 29.704 29.700 0.339 0.000 0.745 24 E HN 0.476 nan 8.360 nan 0.000 0.458 25 C N 0.622 120.059 119.300 0.228 0.000 2.429 25 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 25 C C 2.602 177.675 174.990 0.139 0.000 1.262 25 C CA 0.614 59.772 59.018 0.234 0.000 1.733 25 C CB -0.676 27.160 27.740 0.160 0.000 2.010 25 C HN 0.576 nan 8.230 nan 0.000 0.483 26 M N 0.740 120.392 119.600 0.086 0.000 2.086 26 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 26 M C 1.745 178.059 176.300 0.023 0.000 1.067 26 M CA 1.700 57.024 55.300 0.040 0.000 1.116 26 M CB -1.599 31.019 32.600 0.030 0.000 1.348 26 M HN 0.317 nan 8.290 nan 0.000 0.407 27 D N -0.106 120.322 120.400 0.047 0.000 2.144 27 D HA -0.098 4.541 4.640 -0.000 0.000 0.199 27 D C 1.985 178.301 176.300 0.027 0.000 0.984 27 D CA 2.011 56.032 54.000 0.036 0.000 0.834 27 D CB -0.336 40.497 40.800 0.055 0.000 0.955 27 D HN 0.472 nan 8.370 nan 0.000 0.465 28 T N -2.559 112.034 114.554 0.066 0.000 3.055 28 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 28 T C 1.376 175.987 174.700 -0.148 0.000 1.111 28 T CA 1.641 63.783 62.100 0.069 0.000 1.118 28 T CB -0.251 68.779 68.868 0.269 0.000 0.909 28 T HN 0.216 nan 8.240 nan 0.000 0.501 29 T N -2.872 111.586 114.554 -0.159 0.000 5.975 29 T HA -0.196 4.154 4.350 -0.000 0.000 0.273 29 T C -0.245 174.186 174.700 -0.448 0.000 2.189 29 T CA 0.686 62.598 62.100 -0.314 0.000 3.660 29 T CB -2.855 65.784 68.868 -0.382 0.000 1.044 29 T HN 0.732 nan 8.240 nan 0.000 1.166 30 W N 1.990 123.326 121.300 0.059 0.000 2.247 30 W HA 0.627 5.287 4.660 -0.000 0.000 0.394 30 W C 1.677 178.243 176.519 0.079 0.000 0.939 30 W CA -0.679 56.706 57.345 0.066 0.000 1.548 30 W CB 0.125 29.625 29.460 0.068 0.000 1.610 30 W HN 0.567 nan 8.180 nan 0.000 0.336 31 I N -0.655 120.054 120.570 0.232 0.000 4.288 31 I HA 0.179 4.349 4.170 -0.000 0.000 0.331 31 I C 1.341 177.555 176.117 0.161 0.000 1.322 31 I CA -0.181 61.214 61.300 0.159 0.000 1.149 31 I CB -0.188 37.857 38.000 0.075 0.000 1.112 31 I HN 0.089 nan 8.210 nan 0.000 0.403 32 S N 1.737 117.562 115.700 0.208 0.000 2.477 32 S HA 0.201 4.671 4.470 -0.000 0.000 0.261 32 S C 1.169 175.878 174.600 0.182 0.000 1.197 32 S CA 0.204 58.514 58.200 0.183 0.000 1.015 32 S CB 0.114 63.435 63.200 0.202 0.000 1.077 32 S HN 0.406 nan 8.310 nan 0.000 0.505 33 S N -0.902 114.895 115.700 0.162 0.000 2.710 33 S HA 0.336 4.805 4.470 -0.000 0.000 0.224 33 S C -0.114 174.560 174.600 0.124 0.000 0.948 33 S CA -0.551 57.734 58.200 0.142 0.000 0.949 33 S CB -0.585 62.694 63.200 0.131 0.000 0.778 33 S HN 0.515 nan 8.310 nan 0.000 0.498 34 V N 1.357 121.357 119.914 0.142 0.000 2.443 34 V HA 0.814 4.934 4.120 -0.000 0.000 0.293 34 V C 0.208 176.299 176.094 -0.004 0.000 1.021 34 V CA 0.358 62.684 62.300 0.043 0.000 0.848 34 V CB 1.075 32.915 31.823 0.028 0.000 0.998 34 V HN 0.649 nan 8.190 nan 0.000 0.424 35 G N 4.763 113.509 108.800 -0.090 0.000 2.340 35 G HA2 0.247 4.207 3.960 -0.000 0.000 0.298 35 G HA3 0.247 4.207 3.960 -0.000 0.000 0.298 35 G C 0.087 174.931 174.900 -0.093 0.000 1.498 35 G CA -0.156 44.872 45.100 -0.119 0.000 0.847 35 G HN 0.797 nan 8.290 nan 0.000 0.594 36 R N -0.657 119.733 120.500 -0.183 0.000 2.096 36 R HA 0.038 4.378 4.340 -0.000 0.000 0.235 36 R C 1.650 177.870 176.300 -0.134 0.000 1.127 36 R CA 1.947 57.916 56.100 -0.219 0.000 0.968 36 R CB -0.449 29.630 30.300 -0.370 0.000 0.861 36 R HN 0.356 nan 8.270 nan 0.000 0.440 37 F N 1.586 121.503 119.950 -0.056 0.000 2.216 37 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 37 F C 2.143 177.971 175.800 0.045 0.000 1.085 37 F CA 1.028 58.999 58.000 -0.049 0.000 1.326 37 F CB -0.297 38.647 39.000 -0.094 0.000 1.027 37 F HN -0.082 nan 8.300 nan 0.000 0.497 38 I N -0.870 119.836 120.570 0.225 0.000 2.142 38 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 38 I C 2.336 178.559 176.117 0.175 0.000 1.078 38 I CA 1.039 62.465 61.300 0.210 0.000 1.343 38 I CB -0.764 37.327 38.000 0.151 0.000 1.046 38 I HN -0.108 nan 8.210 nan 0.000 0.405 39 V N 0.377 120.353 119.914 0.103 0.000 2.427 39 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 39 V C 2.382 178.530 176.094 0.091 0.000 1.051 39 V CA 1.836 64.180 62.300 0.073 0.000 1.048 39 V CB -0.504 31.334 31.823 0.025 0.000 0.666 39 V HN 0.411 nan 8.190 nan 0.000 0.456 40 E N -0.754 119.504 120.200 0.097 0.000 2.072 40 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 40 E C 2.049 178.785 176.600 0.227 0.000 0.985 40 E CA 1.374 57.842 56.400 0.113 0.000 0.801 40 E CB -0.204 29.535 29.700 0.066 0.000 0.750 40 E HN 0.564 nan 8.360 nan 0.000 0.452 41 F N 2.324 122.318 119.950 0.073 0.000 2.126 41 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 41 F C 1.795 177.653 175.800 0.097 0.000 1.096 41 F CA 1.607 59.644 58.000 0.060 0.000 1.255 41 F CB -0.241 38.763 39.000 0.007 0.000 0.997 41 F HN -0.041 nan 8.300 nan 0.000 0.479 42 E N -0.003 120.226 120.200 0.047 0.000 2.077 42 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 42 E C 2.236 178.869 176.600 0.055 0.000 0.989 42 E CA 1.225 57.609 56.400 -0.027 0.000 0.800 42 E CB -0.164 29.556 29.700 0.034 0.000 0.746 42 E HN 0.400 nan 8.360 nan 0.000 0.452 43 K N 0.391 120.839 120.400 0.080 0.000 2.057 43 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 43 K C 2.192 178.839 176.600 0.078 0.000 1.049 43 K CA 1.111 57.440 56.287 0.070 0.000 0.931 43 K CB -0.123 32.411 32.500 0.056 0.000 0.714 43 K HN 0.050 nan 8.250 nan 0.000 0.440 44 A N 0.676 123.566 122.820 0.118 0.000 1.929 44 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 44 A C 1.953 179.615 177.584 0.130 0.000 1.176 44 A CA 0.869 52.987 52.037 0.135 0.000 0.628 44 A CB -0.531 18.584 19.000 0.192 0.000 0.816 44 A HN 0.283 nan 8.150 nan 0.000 0.444 45 F N 0.876 120.801 119.950 -0.042 0.000 2.146 45 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 45 F C 2.545 178.338 175.800 -0.012 0.000 1.096 45 F CA 0.993 58.937 58.000 -0.093 0.000 1.275 45 F CB -0.358 38.408 39.000 -0.390 0.000 1.008 45 F HN 0.250 nan 8.300 nan 0.000 0.480 46 A N 0.095 122.947 122.820 0.054 0.000 1.883 46 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 46 A C 1.954 179.505 177.584 -0.053 0.000 1.186 46 A CA 2.208 54.247 52.037 0.003 0.000 0.624 46 A CB -1.099 17.922 19.000 0.036 0.000 0.822 46 A HN 0.418 nan 8.150 nan 0.000 0.444 47 D N -1.883 118.510 120.400 -0.012 0.000 2.117 47 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 47 D C 1.652 177.938 176.300 -0.022 0.000 0.987 47 D CA 1.464 55.458 54.000 -0.010 0.000 0.829 47 D CB -0.472 40.344 40.800 0.026 0.000 0.961 47 D HN 0.608 nan 8.370 nan 0.000 0.460 48 Y N 0.445 120.637 120.300 -0.179 0.000 2.333 48 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 48 Y C 1.855 177.596 175.900 -0.265 0.000 1.144 48 Y CA 0.897 58.866 58.100 -0.219 0.000 1.228 48 Y CB -0.078 38.215 38.460 -0.278 0.000 0.985 48 Y HN -0.008 nan 8.280 nan 0.000 0.542 49 C N -0.102 118.973 119.300 -0.376 0.000 2.799 49 C HA 0.412 4.872 4.460 -0.000 0.000 0.267 49 C C 1.681 176.554 174.990 -0.195 0.000 1.257 49 C CA 0.582 59.389 59.018 -0.353 0.000 1.702 49 C CB -0.910 26.657 27.740 -0.289 0.000 1.934 49 C HN 0.834 nan 8.230 nan 0.000 0.594 50 G N 1.608 110.314 108.800 -0.156 0.000 2.246 50 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.273 50 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.273 50 G C -0.079 174.787 174.900 -0.058 0.000 1.055 50 G CA 0.627 45.670 45.100 -0.095 0.000 0.851 50 G HN 1.050 nan 8.290 nan 0.000 0.500 51 V N -3.957 115.928 119.914 -0.048 0.000 3.046 51 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 51 V C 1.336 177.400 176.094 -0.050 0.000 1.104 51 V CA -0.201 62.088 62.300 -0.019 0.000 1.006 51 V CB 1.834 33.680 31.823 0.039 0.000 1.058 51 V HN 0.151 nan 8.190 nan 0.000 0.440 52 K N -0.527 119.818 120.400 -0.091 0.000 2.062 52 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 52 K C 0.338 176.725 176.600 -0.354 0.000 1.051 52 K CA 0.930 57.050 56.287 -0.278 0.000 0.941 52 K CB 0.037 32.291 32.500 -0.409 0.000 0.719 52 K HN 0.864 nan 8.250 nan 0.000 0.440 53 H N -1.254 117.846 119.070 0.051 0.000 2.572 53 H HA 0.508 5.064 4.556 0.000 0.000 0.359 53 H C -1.280 174.100 175.328 0.087 0.000 1.134 53 H CA -0.703 55.381 56.048 0.060 0.000 1.187 53 H CB 2.027 31.822 29.762 0.056 0.000 1.597 53 H HN 0.174 nan 8.280 nan 0.000 0.524 54 A N 3.142 126.088 122.820 0.210 0.000 2.374 54 A HA 0.574 4.893 4.320 -0.000 0.000 0.305 54 A C -0.920 176.734 177.584 0.116 0.000 1.053 54 A CA -0.613 51.529 52.037 0.174 0.000 0.726 54 A CB 0.643 19.751 19.000 0.180 0.000 1.229 54 A HN 0.461 nan 8.150 nan 0.000 0.431 55 I N 2.387 123.016 120.570 0.097 0.000 2.405 55 I HA 0.467 4.636 4.170 -0.000 0.000 0.280 55 I C 0.747 176.898 176.117 0.057 0.000 1.027 55 I CA -0.006 61.340 61.300 0.075 0.000 1.161 55 I CB 1.546 39.591 38.000 0.075 0.000 1.300 55 I HN 0.700 nan 8.210 nan 0.000 0.463 56 A N 5.341 128.193 122.820 0.053 0.000 2.477 56 A HA 0.552 4.872 4.320 -0.000 0.000 0.246 56 A C -0.062 177.591 177.584 0.116 0.000 1.078 56 A CA -0.020 52.065 52.037 0.080 0.000 0.770 56 A CB -0.007 19.063 19.000 0.117 0.000 1.011 56 A HN 0.791 nan 8.150 nan 0.000 0.494 57 C N 0.694 120.067 119.300 0.121 0.000 3.108 57 C HA 0.389 4.849 4.460 -0.000 0.000 0.321 57 C C 2.026 177.086 174.990 0.117 0.000 1.357 57 C CA -0.262 58.816 59.018 0.101 0.000 1.562 57 C CB 1.569 29.315 27.740 0.011 0.000 2.003 57 C HN 1.072 nan 8.230 nan 0.000 0.460 58 N N 1.067 119.824 118.700 0.094 0.000 2.223 58 N HA -0.152 4.587 4.740 -0.000 0.000 0.185 58 N C -0.037 175.511 175.510 0.064 0.000 1.016 58 N CA 1.462 54.569 53.050 0.095 0.000 0.863 58 N CB -0.244 38.317 38.487 0.123 0.000 0.983 58 N HN 0.896 nan 8.380 nan 0.000 0.429 59 N N -3.412 115.280 118.700 -0.013 0.000 3.046 59 N HA 0.229 4.969 4.740 -0.000 0.000 0.243 59 N C 0.227 175.671 175.510 -0.110 0.000 1.452 59 N CA -0.496 52.539 53.050 -0.024 0.000 0.882 59 N CB 0.799 39.277 38.487 -0.016 0.000 1.425 59 N HN -0.092 nan 8.380 nan 0.000 0.517 60 G N -1.200 107.514 108.800 -0.143 0.000 2.559 60 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 60 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 60 G C 0.541 175.344 174.900 -0.162 0.000 1.126 60 G CA 1.234 46.217 45.100 -0.196 0.000 0.778 60 G HN 0.595 nan 8.290 nan 0.000 0.543 61 T N 0.665 115.143 114.554 -0.127 0.000 2.894 61 T HA -0.090 4.259 4.350 -0.000 0.000 0.258 61 T C 2.830 177.452 174.700 -0.130 0.000 1.043 61 T CA 1.781 63.831 62.100 -0.083 0.000 1.141 61 T CB -0.346 68.513 68.868 -0.016 0.000 0.873 61 T HN 0.519 nan 8.240 nan 0.000 0.449 62 T N 0.572 114.953 114.554 -0.288 0.000 2.995 62 T HA 0.225 4.575 4.350 -0.000 0.000 0.269 62 T C 2.180 176.590 174.700 -0.484 0.000 1.091 62 T CA 0.844 62.541 62.100 -0.672 0.000 1.128 62 T CB -0.348 67.761 68.868 -1.264 0.000 0.891 62 T HN 0.273 nan 8.240 nan 0.000 0.492 63 A N 1.907 124.568 122.820 -0.264 0.000 1.855 63 A HA 0.185 4.505 4.320 -0.000 0.000 0.215 63 A C 2.374 179.889 177.584 -0.115 0.000 1.191 63 A CA 1.248 53.191 52.037 -0.156 0.000 0.613 63 A CB -0.945 17.977 19.000 -0.130 0.000 0.829 63 A HN 0.506 nan 8.150 nan 0.000 0.442 64 L N -1.418 119.737 121.223 -0.113 0.000 2.012 64 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 64 L C 2.674 179.550 176.870 0.010 0.000 1.073 64 L CA 1.941 56.736 54.840 -0.076 0.000 0.748 64 L CB -0.725 41.273 42.059 -0.102 0.000 0.891 64 L HN 0.667 nan 8.230 nan 0.000 0.431 65 H N -0.323 118.684 119.070 -0.106 0.000 2.321 65 H HA -0.226 4.330 4.556 -0.001 0.000 0.300 65 H C 2.292 177.586 175.328 -0.057 0.000 1.087 65 H CA 1.599 57.623 56.048 -0.040 0.000 1.319 65 H CB 0.235 29.971 29.762 -0.044 0.000 1.379 65 H HN 0.187 nan 8.280 nan 0.000 0.501 66 L N 1.228 122.377 121.223 -0.124 0.000 2.012 66 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 66 L C 2.641 179.505 176.870 -0.010 0.000 1.073 66 L CA 2.037 56.821 54.840 -0.092 0.000 0.748 66 L CB -1.077 40.988 42.059 0.009 0.000 0.891 66 L HN 0.353 nan 8.230 nan 0.000 0.431 67 A N -0.515 122.300 122.820 -0.008 0.000 1.908 67 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 67 A C 2.277 179.869 177.584 0.014 0.000 1.181 67 A CA 2.101 54.141 52.037 0.004 0.000 0.627 67 A CB -0.945 18.045 19.000 -0.016 0.000 0.818 67 A HN 0.528 nan 8.150 nan 0.000 0.445 68 L N -0.697 120.540 121.223 0.023 0.000 2.056 68 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 68 L C 2.526 179.433 176.870 0.062 0.000 1.078 68 L CA 0.903 55.766 54.840 0.038 0.000 0.749 68 L CB -0.554 41.541 42.059 0.059 0.000 0.901 68 L HN 0.242 nan 8.230 nan 0.000 0.433 69 V N 0.255 120.214 119.914 0.074 0.000 2.295 69 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 69 V C 2.747 178.887 176.094 0.077 0.000 1.049 69 V CA 1.869 64.225 62.300 0.094 0.000 1.024 69 V CB -0.844 31.043 31.823 0.106 0.000 0.648 69 V HN 0.488 nan 8.190 nan 0.000 0.447 70 A N -0.748 122.110 122.820 0.064 0.000 2.019 70 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 70 A C 2.148 179.754 177.584 0.037 0.000 1.164 70 A CA 1.730 53.799 52.037 0.053 0.000 0.644 70 A CB -0.463 18.566 19.000 0.047 0.000 0.805 70 A HN 0.513 nan 8.150 nan 0.000 0.449 71 M N -1.454 118.165 119.600 0.033 0.000 2.619 71 M HA 0.081 4.561 4.480 -0.000 0.000 0.251 71 M C 1.418 177.734 176.300 0.027 0.000 1.106 71 M CA 0.989 56.304 55.300 0.024 0.000 1.086 71 M CB -0.175 32.435 32.600 0.016 0.000 1.465 71 M HN 0.686 nan 8.290 nan 0.000 0.506 72 G N 1.361 110.183 108.800 0.037 0.000 2.132 72 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.234 72 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.234 72 G C -0.021 174.903 174.900 0.040 0.000 0.989 72 G CA -0.550 44.573 45.100 0.038 0.000 0.676 72 G HN 0.317 nan 8.290 nan 0.000 0.522 73 I N 1.299 121.895 120.570 0.045 0.000 2.556 73 I HA 0.552 4.722 4.170 -0.000 0.000 0.284 73 I C 1.167 177.321 176.117 0.062 0.000 1.114 73 I CA 0.850 62.175 61.300 0.042 0.000 1.418 73 I CB 0.405 38.428 38.000 0.037 0.000 1.394 73 I HN 0.427 nan 8.210 nan 0.000 0.552 74 G N 7.072 115.903 108.800 0.052 0.000 2.634 74 G HA2 0.519 4.479 3.960 -0.000 0.000 0.309 74 G HA3 0.519 4.479 3.960 -0.000 0.000 0.309 74 G C -3.189 171.740 174.900 0.048 0.000 1.299 74 G CA -0.876 44.262 45.100 0.062 0.000 0.798 74 G HN 0.266 nan 8.290 nan 0.000 0.490 75 P HA 0.250 nan 4.420 nan 0.000 0.260 75 P C 0.995 178.311 177.300 0.027 0.000 1.172 75 P CA 2.204 65.327 63.100 0.037 0.000 0.760 75 P CB 0.828 32.548 31.700 0.034 0.000 0.773 76 G N 2.635 111.449 108.800 0.024 0.000 2.345 76 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 76 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 76 G C -0.015 174.893 174.900 0.012 0.000 1.058 76 G CA -0.302 44.809 45.100 0.017 0.000 0.632 76 G HN 0.505 nan 8.290 nan 0.000 0.508 77 D N 1.863 122.271 120.400 0.013 0.000 2.400 77 D HA 0.472 5.111 4.640 -0.000 0.000 0.238 77 D C 0.559 176.856 176.300 -0.005 0.000 1.157 77 D CA 0.526 54.529 54.000 0.005 0.000 0.889 77 D CB 0.748 41.553 40.800 0.009 0.000 1.199 77 D HN 0.594 nan 8.370 nan 0.000 0.436 78 E N -0.114 120.076 120.200 -0.017 0.000 2.195 78 E HA 0.538 4.888 4.350 -0.000 0.000 0.271 78 E C -0.980 175.592 176.600 -0.047 0.000 0.923 78 E CA -0.876 55.504 56.400 -0.033 0.000 0.790 78 E CB 2.187 31.864 29.700 -0.038 0.000 1.155 78 E HN 0.030 nan 8.360 nan 0.000 0.402 79 V N 3.995 123.869 119.914 -0.066 0.000 2.577 79 V HA 0.344 4.464 4.120 -0.000 0.000 0.303 79 V C -0.367 175.665 176.094 -0.103 0.000 1.042 79 V CA -0.701 61.551 62.300 -0.080 0.000 0.872 79 V CB 1.586 33.357 31.823 -0.086 0.000 0.998 79 V HN 0.602 nan 8.190 nan 0.000 0.423 80 I N 4.954 125.462 120.570 -0.104 0.000 2.416 80 I HA 0.450 4.620 4.170 -0.000 0.000 0.288 80 I C -0.435 175.601 176.117 -0.134 0.000 1.051 80 I CA -0.151 61.080 61.300 -0.116 0.000 1.375 80 I CB 1.260 39.196 38.000 -0.106 0.000 1.407 80 I HN 0.277 nan 8.210 nan 0.000 0.516 81 V N 7.703 127.526 119.914 -0.153 0.000 2.841 81 V HA 0.433 4.552 4.120 -0.000 0.000 0.310 81 V C -2.332 173.666 176.094 -0.161 0.000 1.090 81 V CA -1.732 60.462 62.300 -0.176 0.000 0.930 81 V CB 2.200 33.888 31.823 -0.226 0.000 1.014 81 V HN 0.557 nan 8.190 nan 0.000 0.425 82 P HA 0.163 nan 4.420 nan 0.000 0.275 82 P C 0.627 177.864 177.300 -0.105 0.000 1.228 82 P CA 0.065 63.103 63.100 -0.103 0.000 0.786 82 P CB 1.276 32.931 31.700 -0.074 0.000 0.927 83 S N 1.788 117.455 115.700 -0.055 0.000 2.406 83 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 83 S C 0.916 175.534 174.600 0.030 0.000 1.020 83 S CA 0.318 58.517 58.200 -0.003 0.000 0.965 83 S CB -0.623 62.646 63.200 0.115 0.000 0.798 83 S HN 0.363 nan 8.310 nan 0.000 0.488 84 L N 2.420 123.681 121.223 0.063 0.000 2.363 84 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 84 L C -0.085 176.824 176.870 0.065 0.000 1.106 84 L CA 0.637 55.559 54.840 0.137 0.000 0.859 84 L CB 0.317 42.500 42.059 0.208 0.000 1.223 84 L HN 0.184 nan 8.230 nan 0.000 0.446 85 T N 2.723 117.235 114.554 -0.071 0.000 2.677 85 T HA 0.224 4.574 4.350 -0.000 0.000 0.305 85 T C -1.665 172.424 174.700 -1.019 0.000 1.569 85 T CA -0.521 61.346 62.100 -0.389 0.000 0.984 85 T CB 0.285 68.973 68.868 -0.300 0.000 1.629 85 T HN 0.222 nan 8.240 nan 0.000 0.494 86 Y N 2.057 121.597 120.300 -1.267 0.000 2.319 86 Y HA 0.435 4.985 4.550 -0.000 0.000 0.328 86 Y C 1.541 177.121 175.900 -0.534 0.000 1.133 86 Y CA -0.469 56.967 58.100 -1.107 0.000 1.265 86 Y CB 0.508 38.517 38.460 -0.752 0.000 1.218 86 Y HN 0.687 nan 8.280 nan 0.000 0.508 87 I N 4.827 124.746 120.570 -1.086 0.000 2.300 87 I HA -0.379 3.790 4.170 -0.000 0.000 0.252 87 I C 2.125 177.955 176.117 -0.479 0.000 1.119 87 I CA 2.107 63.018 61.300 -0.648 0.000 1.384 87 I CB -0.243 37.465 38.000 -0.485 0.000 1.062 87 I HN 0.908 nan 8.210 nan 0.000 0.426 88 A N -0.546 121.987 122.820 -0.478 0.000 1.958 88 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 88 A C 2.392 179.821 177.584 -0.257 0.000 1.178 88 A CA 2.381 54.288 52.037 -0.215 0.000 0.642 88 A CB -1.012 18.018 19.000 0.051 0.000 0.816 88 A HN 0.537 nan 8.150 nan 0.000 0.453 89 S N -0.478 115.060 115.700 -0.269 0.000 2.359 89 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 89 S C 2.232 176.637 174.600 -0.324 0.000 1.035 89 S CA 1.478 59.511 58.200 -0.278 0.000 1.018 89 S CB -0.403 62.626 63.200 -0.285 0.000 0.876 89 S HN 0.854 nan 8.310 nan 0.000 0.448 90 A N 1.724 124.304 122.820 -0.399 0.000 1.984 90 A HA 0.055 4.374 4.320 -0.000 0.000 0.214 90 A C 1.857 179.189 177.584 -0.421 0.000 1.173 90 A CA 0.698 52.440 52.037 -0.493 0.000 0.673 90 A CB -0.469 18.025 19.000 -0.843 0.000 0.830 90 A HN 0.374 nan 8.150 nan 0.000 0.453 91 N N 1.240 119.712 118.700 -0.380 0.000 2.104 91 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 91 N C 2.084 177.005 175.510 -0.982 0.000 1.024 91 N CA 2.002 54.743 53.050 -0.514 0.000 0.853 91 N CB -0.517 37.665 38.487 -0.509 0.000 1.008 91 N HN 0.618 nan 8.380 nan 0.000 0.424 92 S N 0.058 115.309 115.700 -0.749 0.000 2.387 92 S HA -0.116 4.354 4.470 -0.000 0.000 0.230 92 S C 2.172 176.579 174.600 -0.320 0.000 1.035 92 S CA 1.358 59.227 58.200 -0.552 0.000 1.014 92 S CB -0.850 62.223 63.200 -0.211 0.000 0.836 92 S HN 0.075 nan 8.310 nan 0.000 0.466 93 V N 2.288 122.039 119.914 -0.272 0.000 2.295 93 V HA -0.168 3.951 4.120 -0.000 0.000 0.246 93 V C 2.916 178.945 176.094 -0.108 0.000 1.049 93 V CA 2.306 64.517 62.300 -0.148 0.000 1.024 93 V CB -1.621 30.108 31.823 -0.158 0.000 0.648 93 V HN 0.601 nan 8.190 nan 0.000 0.447 94 T N -0.719 113.742 114.554 -0.155 0.000 2.759 94 T HA -0.207 4.142 4.350 -0.000 0.000 0.269 94 T C 1.812 176.529 174.700 0.028 0.000 1.042 94 T CA 1.742 63.819 62.100 -0.038 0.000 1.140 94 T CB -0.413 68.463 68.868 0.012 0.000 0.864 94 T HN 0.427 nan 8.240 nan 0.000 0.455 95 Y N 0.711 120.947 120.300 -0.107 0.000 2.256 95 Y HA -0.111 4.438 4.550 -0.001 0.000 0.288 95 Y C 2.755 178.646 175.900 -0.015 0.000 1.155 95 Y CA -0.671 57.317 58.100 -0.187 0.000 1.203 95 Y CB -1.429 36.625 38.460 -0.677 0.000 0.980 95 Y HN 0.292 nan 8.280 nan 0.000 0.530 96 C N -0.904 118.518 119.300 0.203 0.000 2.522 96 C HA 0.305 4.765 4.460 -0.000 0.000 0.271 96 C C 2.186 177.262 174.990 0.143 0.000 1.425 96 C CA 0.938 60.087 59.018 0.219 0.000 1.751 96 C CB -1.130 26.710 27.740 0.166 0.000 1.775 96 C HN 0.850 nan 8.230 nan 0.000 0.557 97 G N -0.021 108.845 108.800 0.110 0.000 2.176 97 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.253 97 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.253 97 G C 0.124 175.058 174.900 0.058 0.000 0.979 97 G CA 0.294 45.441 45.100 0.079 0.000 0.641 97 G HN 0.873 nan 8.290 nan 0.000 0.530 98 A N -0.562 122.287 122.820 0.050 0.000 2.252 98 A HA 0.842 5.162 4.320 -0.000 0.000 0.305 98 A C 0.398 177.993 177.584 0.020 0.000 1.097 98 A CA 0.625 52.678 52.037 0.027 0.000 0.849 98 A CB 0.862 19.870 19.000 0.014 0.000 1.142 98 A HN 0.686 nan 8.150 nan 0.000 0.499 99 T N 2.802 117.359 114.554 0.006 0.000 2.772 99 T HA 0.534 4.884 4.350 -0.000 0.000 0.288 99 T C -2.712 171.962 174.700 -0.044 0.000 0.994 99 T CA -0.826 61.278 62.100 0.006 0.000 0.951 99 T CB 1.110 69.987 68.868 0.015 0.000 0.933 99 T HN 0.392 nan 8.240 nan 0.000 0.447 100 P HA 0.287 nan 4.420 nan 0.000 0.276 100 P C -0.915 176.303 177.300 -0.137 0.000 1.230 100 P CA -0.405 62.600 63.100 -0.157 0.000 0.776 100 P CB 0.635 32.162 31.700 -0.289 0.000 0.888 101 V N 5.192 125.027 119.914 -0.132 0.000 2.325 101 V HA 0.220 4.340 4.120 -0.000 0.000 0.280 101 V C 0.326 176.340 176.094 -0.134 0.000 1.016 101 V CA -0.532 61.698 62.300 -0.116 0.000 0.818 101 V CB 0.716 32.484 31.823 -0.092 0.000 1.019 101 V HN 0.399 nan 8.190 nan 0.000 0.434 102 L N 4.908 126.043 121.223 -0.147 0.000 2.439 102 L HA 0.574 4.914 4.340 -0.000 0.000 0.269 102 L C 0.005 176.796 176.870 -0.130 0.000 1.179 102 L CA -0.009 54.742 54.840 -0.149 0.000 0.828 102 L CB 1.349 43.314 42.059 -0.157 0.000 1.106 102 L HN 0.451 nan 8.230 nan 0.000 0.467 103 V N 1.709 121.554 119.914 -0.115 0.000 3.007 103 V HA 0.396 4.516 4.120 -0.000 0.000 0.311 103 V C -0.690 175.358 176.094 -0.077 0.000 1.120 103 V CA -0.651 61.592 62.300 -0.096 0.000 0.980 103 V CB 2.399 34.170 31.823 -0.086 0.000 1.033 103 V HN 0.752 nan 8.190 nan 0.000 0.429 104 D N 2.590 122.950 120.400 -0.065 0.000 2.384 104 D HA 0.302 4.942 4.640 -0.000 0.000 0.244 104 D C -0.207 176.083 176.300 -0.017 0.000 1.251 104 D CA 0.150 54.127 54.000 -0.038 0.000 0.961 104 D CB 0.780 41.558 40.800 -0.036 0.000 1.116 104 D HN 0.879 nan 8.370 nan 0.000 0.484 105 N N -0.081 118.625 118.700 0.009 0.000 2.653 105 N HA 0.168 4.908 4.740 -0.000 0.000 0.294 105 N C -0.891 174.622 175.510 0.006 0.000 1.305 105 N CA -0.657 52.406 53.050 0.022 0.000 0.827 105 N CB 1.332 39.862 38.487 0.073 0.000 1.415 105 N HN 0.326 nan 8.380 nan 0.000 0.546 106 D N 0.031 120.430 120.400 -0.003 0.000 2.304 106 D HA 0.139 4.779 4.640 -0.000 0.000 0.250 106 D C -1.511 174.726 176.300 -0.104 0.000 1.107 106 D CA -1.676 52.297 54.000 -0.045 0.000 0.885 106 D CB 1.735 42.513 40.800 -0.035 0.000 1.192 106 D HN 0.300 nan 8.370 nan 0.000 0.436 107 P HA -0.011 nan 4.420 nan 0.000 0.233 107 P C 0.845 177.945 177.300 -0.332 0.000 1.167 107 P CA 0.626 63.616 63.100 -0.183 0.000 0.770 107 P CB 0.596 32.224 31.700 -0.119 0.000 0.837 108 R N -0.524 119.787 120.500 -0.315 0.000 2.164 108 R HA 0.079 4.419 4.340 -0.000 0.000 0.198 108 R C 2.176 178.281 176.300 -0.324 0.000 1.028 108 R CA 1.610 57.508 56.100 -0.337 0.000 1.083 108 R CB -0.605 29.481 30.300 -0.356 0.000 1.026 108 R HN 0.215 nan 8.270 nan 0.000 0.514 109 T N -2.578 111.876 114.554 -0.167 0.000 3.044 109 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 109 T C 0.524 175.310 174.700 0.142 0.000 1.081 109 T CA -0.030 62.093 62.100 0.038 0.000 1.040 109 T CB -0.036 68.898 68.868 0.111 0.000 0.962 109 T HN 0.204 nan 8.240 nan 0.000 0.506 110 F N 0.138 120.159 119.950 0.119 0.000 2.748 110 F HA -0.182 4.344 4.527 -0.000 0.000 0.370 110 F C 0.272 176.113 175.800 0.069 0.000 0.620 110 F CA 0.240 58.316 58.000 0.127 0.000 1.233 110 F CB -2.378 36.767 39.000 0.243 0.000 1.708 110 F HN 0.280 nan 8.300 nan 0.000 0.298 111 N N 0.795 119.588 118.700 0.154 0.000 2.472 111 N HA 0.513 5.253 4.740 -0.000 0.000 0.289 111 N C -0.184 175.352 175.510 0.044 0.000 1.156 111 N CA -0.805 52.301 53.050 0.094 0.000 0.940 111 N CB 1.211 39.749 38.487 0.084 0.000 1.200 111 N HN 0.197 nan 8.380 nan 0.000 0.511 112 L N 0.938 122.169 121.223 0.013 0.000 2.720 112 L HA -0.145 4.195 4.340 -0.000 0.000 0.289 112 L C 0.163 177.028 176.870 -0.009 0.000 1.232 112 L CA 0.675 55.506 54.840 -0.014 0.000 0.915 112 L CB 0.212 42.246 42.059 -0.041 0.000 1.184 112 L HN 0.424 nan 8.230 nan 0.000 0.491 113 D N 4.336 124.726 120.400 -0.016 0.000 2.393 113 D HA 0.214 4.854 4.640 -0.000 0.000 0.232 113 D C 0.866 177.153 176.300 -0.022 0.000 1.192 113 D CA 0.547 54.538 54.000 -0.016 0.000 0.882 113 D CB 1.595 42.383 40.800 -0.021 0.000 1.038 113 D HN 0.687 nan 8.370 nan 0.000 0.499 114 A N 3.898 126.710 122.820 -0.014 0.000 1.940 114 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 114 A C 2.070 179.644 177.584 -0.016 0.000 1.176 114 A CA 1.749 53.777 52.037 -0.016 0.000 0.631 114 A CB -0.403 18.595 19.000 -0.003 0.000 0.814 114 A HN 0.613 nan 8.150 nan 0.000 0.446 115 A N -0.834 121.979 122.820 -0.012 0.000 2.178 115 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 115 A C 1.848 179.419 177.584 -0.021 0.000 1.157 115 A CA 1.571 53.601 52.037 -0.013 0.000 0.689 115 A CB -0.291 18.702 19.000 -0.011 0.000 0.787 115 A HN 0.555 nan 8.150 nan 0.000 0.465 116 K N -0.853 119.529 120.400 -0.030 0.000 2.358 116 K HA 0.361 4.681 4.320 -0.000 0.000 0.200 116 K C 1.115 177.683 176.600 -0.052 0.000 1.030 116 K CA -0.230 56.033 56.287 -0.040 0.000 1.097 116 K CB 0.175 32.649 32.500 -0.043 0.000 0.862 116 K HN 0.393 nan 8.250 nan 0.000 0.534 117 L N 0.914 122.106 121.223 -0.053 0.000 2.005 117 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 117 L C 2.425 179.238 176.870 -0.095 0.000 1.072 117 L CA 1.488 56.284 54.840 -0.073 0.000 0.744 117 L CB -0.231 41.788 42.059 -0.067 0.000 0.895 117 L HN 0.225 nan 8.230 nan 0.000 0.433 118 E N 0.376 120.529 120.200 -0.079 0.000 2.070 118 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 118 E C 2.098 178.639 176.600 -0.099 0.000 1.004 118 E CA 1.654 57.993 56.400 -0.101 0.000 0.805 118 E CB -0.127 29.558 29.700 -0.025 0.000 0.744 118 E HN 0.425 nan 8.360 nan 0.000 0.451 119 A N 0.099 122.881 122.820 -0.063 0.000 2.084 119 A HA -0.161 4.159 4.320 -0.000 0.000 0.221 119 A C 2.004 179.544 177.584 -0.073 0.000 1.161 119 A CA 1.366 53.370 52.037 -0.056 0.000 0.653 119 A CB -0.545 18.429 19.000 -0.044 0.000 0.802 119 A HN 0.351 nan 8.150 nan 0.000 0.457 120 L N -0.830 120.337 121.223 -0.092 0.000 2.567 120 L HA 0.242 4.582 4.340 -0.000 0.000 0.225 120 L C 0.148 176.953 176.870 -0.108 0.000 1.119 120 L CA -0.320 54.464 54.840 -0.094 0.000 0.871 120 L CB -0.144 41.859 42.059 -0.093 0.000 1.036 120 L HN 0.229 nan 8.230 nan 0.000 0.459 121 I N 0.440 120.918 120.570 -0.153 0.000 2.529 121 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 121 I C 0.795 176.848 176.117 -0.107 0.000 1.082 121 I CA 0.324 61.519 61.300 -0.176 0.000 1.406 121 I CB 1.067 38.844 38.000 -0.370 0.000 1.405 121 I HN 0.137 nan 8.210 nan 0.000 0.548 122 T N 2.019 116.531 114.554 -0.070 0.000 2.831 122 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 122 T C -2.305 172.386 174.700 -0.014 0.000 1.070 122 T CA -1.642 60.437 62.100 -0.034 0.000 1.010 122 T CB 1.551 70.401 68.868 -0.029 0.000 1.264 122 T HN 0.220 nan 8.240 nan 0.000 0.532 123 P HA 0.176 nan 4.420 nan 0.000 0.228 123 P C 0.970 178.272 177.300 0.003 0.000 1.151 123 P CA 0.489 63.593 63.100 0.007 0.000 0.770 123 P CB 0.067 31.772 31.700 0.008 0.000 0.786 124 R N -1.871 118.626 120.500 -0.006 0.000 2.312 124 R HA 0.139 4.479 4.340 -0.000 0.000 0.205 124 R C 0.370 176.662 176.300 -0.012 0.000 0.904 124 R CA 0.187 56.284 56.100 -0.006 0.000 1.052 124 R CB -0.228 30.068 30.300 -0.006 0.000 1.014 124 R HN 0.084 nan 8.270 nan 0.000 0.503 125 T N 1.468 116.009 114.554 -0.022 0.000 2.902 125 T HA 0.059 4.409 4.350 -0.000 0.000 0.301 125 T C 0.957 175.646 174.700 -0.019 0.000 1.012 125 T CA 0.304 62.384 62.100 -0.033 0.000 1.151 125 T CB 1.054 69.887 68.868 -0.057 0.000 0.946 125 T HN 0.012 nan 8.240 nan 0.000 0.542 126 K N 0.531 120.918 120.400 -0.022 0.000 2.474 126 K HA 0.466 4.786 4.320 -0.000 0.000 0.202 126 K C 0.440 177.029 176.600 -0.018 0.000 1.248 126 K CA 0.097 56.377 56.287 -0.012 0.000 0.946 126 K CB 1.155 33.652 32.500 -0.005 0.000 1.102 126 K HN 0.676 nan 8.250 nan 0.000 0.541 127 A N 0.931 123.731 122.820 -0.034 0.000 2.610 127 A HA 0.737 5.057 4.320 -0.000 0.000 0.291 127 A C -1.479 176.067 177.584 -0.062 0.000 1.086 127 A CA -0.684 51.328 52.037 -0.042 0.000 0.677 127 A CB 1.174 20.148 19.000 -0.043 0.000 1.278 127 A HN 0.051 nan 8.150 nan 0.000 0.414 128 I N 0.785 121.314 120.570 -0.068 0.000 2.545 128 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 128 I C -0.283 175.772 176.117 -0.103 0.000 1.040 128 I CA -0.237 61.011 61.300 -0.086 0.000 1.068 128 I CB 2.180 40.133 38.000 -0.078 0.000 1.251 128 I HN 0.716 nan 8.210 nan 0.000 0.424 129 M N 8.311 127.834 119.600 -0.127 0.000 2.268 129 M HA 0.401 4.881 4.480 -0.000 0.000 0.340 129 M C -2.619 173.570 176.300 -0.186 0.000 1.099 129 M CA -1.687 53.516 55.300 -0.161 0.000 1.053 129 M CB 0.861 33.356 32.600 -0.174 0.000 1.284 129 M HN 0.161 nan 8.290 nan 0.000 0.410 130 P HA 0.124 nan 4.420 nan 0.000 0.271 130 P C -0.990 176.088 177.300 -0.371 0.000 1.220 130 P CA -0.141 62.832 63.100 -0.211 0.000 0.768 130 P CB 1.042 32.650 31.700 -0.153 0.000 0.848 131 V N 5.098 124.822 119.914 -0.317 0.000 2.378 131 V HA 0.143 4.263 4.120 -0.000 0.000 0.288 131 V C 0.385 176.295 176.094 -0.306 0.000 1.016 131 V CA -0.612 61.458 62.300 -0.384 0.000 0.840 131 V CB 0.692 32.363 31.823 -0.254 0.000 0.994 131 V HN 0.510 nan 8.190 nan 0.000 0.431 132 H N 5.339 124.311 119.070 -0.163 0.000 3.092 132 H HA 0.342 4.898 4.556 -0.000 0.000 0.263 132 H C 0.091 175.328 175.328 -0.151 0.000 1.611 132 H CA -0.259 55.706 56.048 -0.139 0.000 1.457 132 H CB -0.063 29.623 29.762 -0.127 0.000 1.731 132 H HN 0.455 nan 8.280 nan 0.000 0.532 133 L N 2.549 123.722 121.223 -0.084 0.000 2.456 133 L HA -0.089 4.251 4.340 -0.000 0.000 0.272 133 L C 0.576 177.355 176.870 -0.151 0.000 1.189 133 L CA -0.071 54.585 54.840 -0.307 0.000 0.846 133 L CB 0.169 41.878 42.059 -0.584 0.000 1.111 133 L HN 0.587 nan 8.230 nan 0.000 0.475 134 Y N 1.156 121.616 120.300 0.267 0.000 4.881 134 Y HA -0.264 4.286 4.550 -0.000 0.000 0.241 134 Y C 1.338 177.429 175.900 0.318 0.000 0.985 134 Y CA 1.073 59.381 58.100 0.346 0.000 1.976 134 Y CB -2.108 36.447 38.460 0.159 0.000 1.528 134 Y HN 0.892 nan 8.280 nan 0.000 0.581 135 G N -0.680 108.263 108.800 0.238 0.000 2.205 135 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.180 135 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.180 135 G C -0.108 174.624 174.900 -0.281 0.000 1.004 135 G CA -0.031 45.148 45.100 0.132 0.000 0.670 135 G HN 0.560 nan 8.290 nan 0.000 0.496 136 Q N 0.697 120.215 119.800 -0.471 0.000 2.322 136 Q HA 0.696 5.036 4.340 -0.000 0.000 0.265 136 Q C 0.306 176.184 176.000 -0.203 0.000 0.985 136 Q CA -0.891 54.591 55.803 -0.535 0.000 0.849 136 Q CB 0.898 29.233 28.738 -0.671 0.000 1.274 136 Q HN 0.369 nan 8.270 nan 0.000 0.449 137 I N 3.043 123.476 120.570 -0.229 0.000 2.588 137 I HA 0.027 4.197 4.170 -0.000 0.000 0.283 137 I C 0.282 176.337 176.117 -0.103 0.000 1.119 137 I CA -0.617 60.448 61.300 -0.390 0.000 1.419 137 I CB 0.531 38.263 38.000 -0.448 0.000 1.394 137 I HN 0.705 nan 8.210 nan 0.000 0.562 138 C N 4.152 123.468 119.300 0.028 0.000 2.745 138 C HA -0.048 4.412 4.460 -0.000 0.000 0.387 138 C C 0.992 175.963 174.990 -0.032 0.000 1.312 138 C CA -0.291 58.762 59.018 0.057 0.000 2.204 138 C CB -0.326 27.462 27.740 0.080 0.000 2.686 138 C HN 0.651 nan 8.230 nan 0.000 0.705 139 D N 1.841 122.263 120.400 0.036 0.000 2.398 139 D HA 0.061 4.701 4.640 -0.000 0.000 0.250 139 D C 1.061 177.298 176.300 -0.106 0.000 1.287 139 D CA 0.072 54.138 54.000 0.110 0.000 0.992 139 D CB 0.203 41.077 40.800 0.123 0.000 1.071 139 D HN 0.298 nan 8.370 nan 0.000 0.514 140 M N 1.630 120.867 119.600 -0.605 0.000 2.175 140 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 140 M C 1.231 177.405 176.300 -0.210 0.000 1.063 140 M CA 0.958 55.940 55.300 -0.531 0.000 1.119 140 M CB -0.494 31.604 32.600 -0.836 0.000 1.377 140 M HN 0.296 nan 8.290 nan 0.000 0.415 141 D N 0.606 120.992 120.400 -0.023 0.000 2.106 141 D HA -0.143 4.497 4.640 -0.000 0.000 0.191 141 D C -0.646 175.678 176.300 0.040 0.000 0.997 141 D CA 1.636 55.688 54.000 0.086 0.000 0.834 141 D CB -1.656 39.261 40.800 0.196 0.000 0.956 141 D HN 0.266 nan 8.370 nan 0.000 0.448 142 P HA -0.014 nan 4.420 nan 0.000 0.219 142 P C 1.898 179.202 177.300 0.006 0.000 1.150 142 P CA 0.756 63.873 63.100 0.027 0.000 0.814 142 P CB 0.038 31.758 31.700 0.033 0.000 0.787 143 I N -0.668 119.892 120.570 -0.017 0.000 2.202 143 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 143 I C 2.488 178.592 176.117 -0.022 0.000 1.091 143 I CA 1.249 62.531 61.300 -0.030 0.000 1.368 143 I CB -0.734 37.233 38.000 -0.054 0.000 1.058 143 I HN -0.161 nan 8.210 nan 0.000 0.410 144 L N 0.114 121.321 121.223 -0.027 0.000 2.131 144 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 144 L C 2.615 179.490 176.870 0.009 0.000 1.092 144 L CA 0.986 55.818 54.840 -0.013 0.000 0.759 144 L CB -0.529 41.520 42.059 -0.017 0.000 0.903 144 L HN 0.224 nan 8.230 nan 0.000 0.435 145 E N 0.055 120.265 120.200 0.016 0.000 2.072 145 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 145 E C 2.339 178.964 176.600 0.043 0.000 0.982 145 E CA 0.921 57.336 56.400 0.025 0.000 0.803 145 E CB -0.117 29.598 29.700 0.026 0.000 0.755 145 E HN 0.213 nan 8.360 nan 0.000 0.453 146 V N 1.259 121.203 119.914 0.049 0.000 2.343 146 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 146 V C 2.423 178.600 176.094 0.139 0.000 1.051 146 V CA 1.764 64.124 62.300 0.099 0.000 1.036 146 V CB -0.810 31.043 31.823 0.051 0.000 0.654 146 V HN 0.283 nan 8.190 nan 0.000 0.451 147 A N -0.176 122.684 122.820 0.066 0.000 1.865 147 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 147 A C 2.315 179.942 177.584 0.071 0.000 1.191 147 A CA 2.231 54.303 52.037 0.058 0.000 0.623 147 A CB -0.598 18.410 19.000 0.014 0.000 0.826 147 A HN 0.458 nan 8.150 nan 0.000 0.444 148 R N -0.922 119.602 120.500 0.041 0.000 2.096 148 R HA -0.161 4.179 4.340 -0.000 0.000 0.240 148 R C 2.445 178.748 176.300 0.005 0.000 1.139 148 R CA 2.047 58.159 56.100 0.021 0.000 0.952 148 R CB -0.304 30.003 30.300 0.011 0.000 0.854 148 R HN 0.544 nan 8.270 nan 0.000 0.436 149 R N -0.995 119.503 120.500 -0.003 0.000 2.193 149 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 149 R C 0.826 176.972 176.300 -0.256 0.000 1.110 149 R CA 1.393 57.426 56.100 -0.112 0.000 0.988 149 R CB 0.059 30.301 30.300 -0.097 0.000 0.871 149 R HN 0.431 nan 8.270 nan 0.000 0.458 150 H N -1.555 117.510 119.070 -0.009 0.000 2.923 150 H HA 0.083 4.639 4.556 -0.000 0.000 0.268 150 H C -0.213 175.109 175.328 -0.009 0.000 1.148 150 H CA 0.054 56.096 56.048 -0.010 0.000 1.146 150 H CB 0.412 30.166 29.762 -0.013 0.000 1.607 150 H HN 0.176 nan 8.280 nan 0.000 0.566 151 N N 1.338 120.079 118.700 0.068 0.000 2.705 151 N HA -0.183 4.557 4.740 -0.000 0.000 0.255 151 N C -1.182 174.356 175.510 0.045 0.000 1.008 151 N CA 0.214 53.288 53.050 0.040 0.000 0.742 151 N CB -1.430 37.071 38.487 0.023 0.000 0.906 151 N HN 0.338 nan 8.380 nan 0.000 0.541 152 L N 0.053 121.306 121.223 0.050 0.000 2.334 152 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 152 L C 0.825 177.701 176.870 0.010 0.000 1.018 152 L CA -1.214 53.642 54.840 0.026 0.000 0.811 152 L CB 1.138 43.209 42.059 0.020 0.000 1.271 152 L HN 0.055 nan 8.230 nan 0.000 0.443 153 L N 1.051 122.272 121.223 -0.002 0.000 2.416 153 L HA 0.568 4.908 4.340 -0.000 0.000 0.262 153 L C -0.568 176.288 176.870 -0.023 0.000 1.093 153 L CA -0.757 54.078 54.840 -0.008 0.000 0.801 153 L CB 1.831 43.885 42.059 -0.009 0.000 1.191 153 L HN 0.216 nan 8.230 nan 0.000 0.459 154 V N 2.533 122.430 119.914 -0.027 0.000 2.588 154 V HA 0.441 4.561 4.120 -0.000 0.000 0.304 154 V C -0.516 175.545 176.094 -0.054 0.000 1.042 154 V CA -0.473 61.800 62.300 -0.046 0.000 0.877 154 V CB 2.081 33.878 31.823 -0.044 0.000 0.996 154 V HN 0.519 nan 8.190 nan 0.000 0.425 155 I N 3.738 124.259 120.570 -0.081 0.000 2.382 155 I HA 0.525 4.695 4.170 -0.000 0.000 0.286 155 I C 0.012 176.034 176.117 -0.158 0.000 1.002 155 I CA -0.304 60.938 61.300 -0.098 0.000 1.135 155 I CB 1.395 39.339 38.000 -0.093 0.000 1.288 155 I HN 0.708 nan 8.210 nan 0.000 0.448 156 E N 5.643 125.737 120.200 -0.176 0.000 2.289 156 E HA 0.115 4.464 4.350 -0.000 0.000 0.278 156 E C -0.975 175.391 176.600 -0.389 0.000 1.032 156 E CA -0.416 55.796 56.400 -0.313 0.000 0.854 156 E CB 0.934 30.497 29.700 -0.229 0.000 1.046 156 E HN 0.387 nan 8.360 nan 0.000 0.409 157 D N 2.409 122.525 120.400 -0.473 0.000 2.456 157 D HA 0.214 4.854 4.640 -0.000 0.000 0.219 157 D C -0.494 175.488 176.300 -0.530 0.000 1.126 157 D CA -0.482 53.261 54.000 -0.430 0.000 0.890 157 D CB 0.881 41.471 40.800 -0.349 0.000 1.025 157 D HN 0.472 nan 8.370 nan 0.000 0.511 158 A N 3.187 125.647 122.820 -0.600 0.000 2.545 158 A HA 0.477 4.797 4.320 -0.000 0.000 0.277 158 A C 1.742 179.044 177.584 -0.470 0.000 1.301 158 A CA 0.363 52.079 52.037 -0.535 0.000 0.935 158 A CB 0.054 18.599 19.000 -0.758 0.000 1.093 158 A HN 0.545 nan 8.150 nan 0.000 0.519 159 A N 0.487 123.057 122.820 -0.416 0.000 1.986 159 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 159 A C 1.536 178.949 177.584 -0.284 0.000 1.171 159 A CA 1.736 53.580 52.037 -0.321 0.000 0.640 159 A CB -0.213 18.575 19.000 -0.354 0.000 0.811 159 A HN 0.575 nan 8.150 nan 0.000 0.451 160 E N -1.519 118.509 120.200 -0.287 0.000 2.465 160 E HA 0.412 4.761 4.350 -0.000 0.000 0.195 160 E C 0.276 176.894 176.600 0.030 0.000 1.028 160 E CA 0.299 56.495 56.400 -0.340 0.000 0.899 160 E CB 0.437 29.948 29.700 -0.315 0.000 1.032 160 E HN 0.496 nan 8.360 nan 0.000 0.468 161 A N 0.869 123.760 122.820 0.118 0.000 2.663 161 A HA 0.237 4.556 4.320 -0.000 0.000 0.273 161 A C 0.088 177.900 177.584 0.380 0.000 0.932 161 A CA -0.408 51.767 52.037 0.229 0.000 1.055 161 A CB 0.310 19.415 19.000 0.174 0.000 1.206 161 A HN 0.024 nan 8.150 nan 0.000 0.485 162 V N 0.483 120.677 119.914 0.466 0.000 2.617 162 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 162 V C 1.703 178.059 176.094 0.436 0.000 1.040 162 V CA 1.860 64.487 62.300 0.546 0.000 1.149 162 V CB 0.459 32.567 31.823 0.475 0.000 0.914 162 V HN 1.483 nan 8.190 nan 0.000 0.487 163 G N 3.350 112.414 108.800 0.440 0.000 2.225 163 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.254 163 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.254 163 G C 0.475 175.492 174.900 0.195 0.000 0.988 163 G CA 0.249 45.569 45.100 0.365 0.000 0.625 163 G HN 1.531 nan 8.290 nan 0.000 0.527 164 A N 0.155 123.086 122.820 0.185 0.000 2.406 164 A HA 0.753 5.073 4.320 -0.000 0.000 0.243 164 A C 0.813 178.427 177.584 0.050 0.000 1.082 164 A CA 1.457 53.559 52.037 0.108 0.000 0.786 164 A CB 0.368 19.404 19.000 0.060 0.000 1.029 164 A HN 1.893 nan 8.150 nan 0.000 0.495 165 T N -1.953 112.622 114.554 0.035 0.000 2.896 165 T HA 0.586 4.936 4.350 -0.000 0.000 0.297 165 T C -1.176 173.565 174.700 0.068 0.000 1.108 165 T CA -0.423 61.693 62.100 0.027 0.000 1.004 165 T CB 1.386 70.257 68.868 0.006 0.000 1.159 165 T HN 0.958 nan 8.240 nan 0.000 0.499 166 Y N 1.748 122.006 120.300 -0.069 0.000 2.322 166 Y HA 0.449 4.999 4.550 0.000 0.000 0.324 166 Y C 0.329 176.204 175.900 -0.041 0.000 1.027 166 Y CA -0.871 57.191 58.100 -0.064 0.000 1.179 166 Y CB 1.137 39.543 38.460 -0.091 0.000 1.136 166 Y HN 0.918 nan 8.280 nan 0.000 0.449 167 R N 4.366 124.711 120.500 -0.258 0.000 3.251 167 R HA -0.232 4.108 4.340 -0.000 0.000 0.249 167 R C 0.938 177.217 176.300 -0.035 0.000 0.949 167 R CA 1.124 57.118 56.100 -0.177 0.000 0.645 167 R CB -2.103 28.064 30.300 -0.222 0.000 1.065 167 R HN 1.559 nan 8.270 nan 0.000 0.452 168 G N -0.722 108.060 108.800 -0.029 0.000 2.179 168 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 168 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 168 G C 0.069 174.965 174.900 -0.006 0.000 0.977 168 G CA 0.878 45.969 45.100 -0.016 0.000 0.641 168 G HN 0.428 nan 8.290 nan 0.000 0.533 169 K N 0.278 120.693 120.400 0.024 0.000 2.259 169 K HA 0.496 4.816 4.320 -0.000 0.000 0.252 169 K C 0.054 176.656 176.600 0.004 0.000 0.936 169 K CA -0.973 55.324 56.287 0.015 0.000 0.810 169 K CB 1.490 34.022 32.500 0.053 0.000 1.143 169 K HN -0.065 nan 8.250 nan 0.000 0.427 170 K N 1.236 121.611 120.400 -0.043 0.000 2.202 170 K HA 0.124 4.444 4.320 -0.000 0.000 0.264 170 K C 0.221 176.833 176.600 0.021 0.000 1.010 170 K CA -0.040 56.212 56.287 -0.058 0.000 0.940 170 K CB 1.179 33.567 32.500 -0.187 0.000 0.983 170 K HN 0.823 nan 8.250 nan 0.000 0.475 171 S N -0.374 115.369 115.700 0.072 0.000 2.568 171 S HA 0.285 4.754 4.470 -0.000 0.000 0.282 171 S C 1.148 175.942 174.600 0.323 0.000 1.338 171 S CA 0.249 58.538 58.200 0.149 0.000 1.045 171 S CB 0.713 64.046 63.200 0.223 0.000 0.873 171 S HN 0.869 nan 8.310 nan 0.000 0.516 172 G N 1.028 110.004 108.800 0.294 0.000 2.234 172 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.235 172 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.235 172 G C 0.683 175.706 174.900 0.205 0.000 0.997 172 G CA 0.657 45.986 45.100 0.382 0.000 0.623 172 G HN 1.923 nan 8.290 nan 0.000 0.514 173 S N -0.421 115.349 115.700 0.117 0.000 2.578 173 S HA 0.556 5.025 4.470 -0.000 0.000 0.231 173 S C 1.783 176.409 174.600 0.043 0.000 0.994 173 S CA 0.633 58.873 58.200 0.066 0.000 0.956 173 S CB 0.168 63.384 63.200 0.026 0.000 0.870 173 S HN 0.369 nan 8.310 nan 0.000 0.494 174 L N 0.989 122.235 121.223 0.038 0.000 2.316 174 L HA 0.449 4.789 4.340 -0.000 0.000 0.207 174 L C 1.762 178.630 176.870 -0.004 0.000 1.070 174 L CA 0.656 55.498 54.840 0.004 0.000 0.820 174 L CB -0.615 41.419 42.059 -0.040 0.000 0.992 174 L HN 0.448 nan 8.230 nan 0.000 0.466 175 G N -1.305 107.496 108.800 0.002 0.000 2.583 175 G HA2 0.086 4.046 3.960 -0.000 0.000 0.280 175 G HA3 0.086 4.046 3.960 -0.000 0.000 0.280 175 G C 0.041 174.945 174.900 0.007 0.000 1.376 175 G CA -0.268 44.826 45.100 -0.010 0.000 1.043 175 G HN -0.009 nan 8.290 nan 0.000 0.538 176 D N -1.284 119.117 120.400 0.002 0.000 2.264 176 D HA -0.033 4.606 4.640 -0.000 0.000 0.208 176 D C 1.075 177.390 176.300 0.026 0.000 0.966 176 D CA 1.548 55.557 54.000 0.015 0.000 0.864 176 D CB -0.061 40.744 40.800 0.009 0.000 0.933 176 D HN 0.454 nan 8.370 nan 0.000 0.499 177 C N -2.010 117.299 119.300 0.016 0.000 3.259 177 C HA 0.832 5.292 4.460 -0.000 0.000 0.344 177 C C -1.465 173.526 174.990 0.001 0.000 1.401 177 C CA -1.003 58.034 59.018 0.032 0.000 1.219 177 C CB 1.533 29.290 27.740 0.028 0.000 1.521 177 C HN 0.188 nan 8.230 nan 0.000 0.455 178 A N 0.573 123.400 122.820 0.011 0.000 2.594 178 A HA 0.989 5.309 4.320 -0.000 0.000 0.295 178 A C -0.430 177.086 177.584 -0.114 0.000 1.071 178 A CA 0.284 52.267 52.037 -0.090 0.000 0.685 178 A CB 1.368 20.334 19.000 -0.056 0.000 1.285 178 A HN 2.320 nan 8.150 nan 0.000 0.405 179 T N -1.318 113.055 114.554 -0.302 0.000 2.908 179 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 179 T C -0.795 173.586 174.700 -0.531 0.000 1.034 179 T CA -0.517 61.435 62.100 -0.247 0.000 1.010 179 T CB 1.114 69.855 68.868 -0.212 0.000 1.068 179 T HN 0.464 nan 8.240 nan 0.000 0.481 180 F N 0.238 120.034 119.950 -0.257 0.000 2.588 180 F HA 0.716 5.243 4.527 -0.000 0.000 0.314 180 F C 0.389 175.799 175.800 -0.650 0.000 1.069 180 F CA -0.826 56.937 58.000 -0.394 0.000 0.931 180 F CB 2.630 41.365 39.000 -0.442 0.000 1.260 180 F HN 0.773 nan 8.300 nan 0.000 0.465 181 S N 0.820 116.243 115.700 -0.462 0.000 2.532 181 S HA 0.672 5.142 4.470 -0.000 0.000 0.301 181 S C -0.873 173.398 174.600 -0.549 0.000 1.083 181 S CA -0.370 57.537 58.200 -0.488 0.000 1.025 181 S CB 0.615 63.647 63.200 -0.279 0.000 1.056 181 S HN 0.428 nan 8.310 nan 0.000 0.494 182 F N 2.960 122.951 119.950 0.068 0.000 2.814 182 F HA 0.411 4.938 4.527 -0.000 0.000 0.326 182 F C 0.128 175.979 175.800 0.085 0.000 1.159 182 F CA -1.069 56.972 58.000 0.068 0.000 1.234 182 F CB -0.185 38.855 39.000 0.066 0.000 1.016 182 F HN 0.543 nan 8.300 nan 0.000 0.510 183 F N 1.178 121.163 119.950 0.058 0.000 2.586 183 F HA 0.341 4.868 4.527 0.000 0.000 0.335 183 F C 1.752 177.604 175.800 0.086 0.000 1.210 183 F CA 0.221 58.250 58.000 0.047 0.000 1.359 183 F CB 0.676 39.667 39.000 -0.015 0.000 1.142 183 F HN 0.163 nan 8.300 nan 0.000 0.606 184 G N 2.394 110.549 108.800 -1.074 0.000 2.479 184 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 184 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 184 G C 0.422 175.100 174.900 -0.371 0.000 1.115 184 G CA 0.769 45.446 45.100 -0.704 0.000 0.757 184 G HN 0.773 nan 8.290 nan 0.000 0.560 188 I N -0.744 119.905 120.570 0.132 0.000 2.608 188 I HA 0.746 4.916 4.170 -0.000 0.000 0.295 188 I C -0.698 175.488 176.117 0.115 0.000 1.049 188 I CA -0.256 61.045 61.300 0.002 0.000 1.063 188 I CB 2.390 40.392 38.000 0.004 0.000 1.248 188 I HN -0.122 nan 8.210 nan 0.000 0.424 189 T N 2.004 116.545 114.554 -0.022 0.000 2.916 189 T HA 0.596 4.946 4.350 -0.000 0.000 0.292 189 T C 0.329 174.990 174.700 -0.065 0.000 1.064 189 T CA 0.117 62.233 62.100 0.026 0.000 1.011 189 T CB 1.633 70.474 68.868 -0.045 0.000 1.152 189 T HN 0.901 nan 8.240 nan 0.000 0.510 190 T N -0.802 113.762 114.554 0.017 0.000 3.275 190 T HA 0.516 4.866 4.350 -0.000 0.000 0.298 190 T C 1.392 176.090 174.700 -0.003 0.000 0.988 190 T CA 0.692 62.759 62.100 -0.055 0.000 0.936 190 T CB -0.011 68.837 68.868 -0.033 0.000 1.159 190 T HN 1.328 nan 8.240 nan 0.000 0.519 191 G N 1.728 110.518 108.800 -0.017 0.000 5.353 191 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.283 191 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.283 191 G C -0.359 174.587 174.900 0.078 0.000 1.457 191 G CA 0.176 45.259 45.100 -0.028 0.000 0.951 191 G HN 0.653 nan 8.290 nan 0.000 0.731 192 E N 1.361 121.655 120.200 0.157 0.000 2.293 192 E HA 0.610 4.960 4.350 -0.000 0.000 0.270 192 E C 0.051 176.782 176.600 0.219 0.000 0.879 192 E CA 0.283 56.832 56.400 0.249 0.000 0.756 192 E CB 1.625 31.455 29.700 0.217 0.000 1.208 192 E HN 1.571 nan 8.360 nan 0.000 0.428 193 G N 0.257 109.205 108.800 0.246 0.000 2.355 193 G HA2 0.530 4.489 3.960 -0.000 0.000 0.296 193 G HA3 0.530 4.489 3.960 -0.000 0.000 0.296 193 G C -1.034 174.012 174.900 0.244 0.000 1.507 193 G CA -0.077 45.210 45.100 0.312 0.000 0.823 193 G HN 0.629 nan 8.290 nan 0.000 0.569 194 G N -1.373 107.547 108.800 0.200 0.000 2.649 194 G HA2 0.829 4.789 3.960 -0.000 0.000 0.290 194 G HA3 0.829 4.789 3.960 -0.000 0.000 0.290 194 G C -1.460 173.430 174.900 -0.017 0.000 1.426 194 G CA -0.311 44.681 45.100 -0.180 0.000 0.794 194 G HN 1.360 nan 8.290 nan 0.000 0.483 195 M N -0.394 119.117 119.600 -0.149 0.000 2.534 195 M HA 0.702 5.182 4.480 -0.000 0.000 0.280 195 M C -2.070 174.264 176.300 0.057 0.000 1.217 195 M CA -0.470 54.809 55.300 -0.035 0.000 0.893 195 M CB 2.170 34.640 32.600 -0.218 0.000 1.730 195 M HN 0.418 nan 8.290 nan 0.000 0.483 196 I N 2.322 122.953 120.570 0.101 0.000 2.436 196 I HA 0.562 4.732 4.170 -0.000 0.000 0.289 196 I C -0.472 175.775 176.117 0.217 0.000 1.010 196 I CA -0.648 60.733 61.300 0.136 0.000 1.098 196 I CB 2.256 40.301 38.000 0.074 0.000 1.266 196 I HN 0.792 nan 8.210 nan 0.000 0.434 197 T N 1.084 115.814 114.554 0.294 0.000 2.859 197 T HA 0.746 5.096 4.350 -0.000 0.000 0.281 197 T C -0.363 174.456 174.700 0.199 0.000 1.005 197 T CA -0.685 61.592 62.100 0.295 0.000 1.025 197 T CB 2.140 71.253 68.868 0.409 0.000 0.977 197 T HN 0.636 nan 8.240 nan 0.000 0.458 198 T N 0.699 115.369 114.554 0.193 0.000 2.827 198 T HA 0.369 4.719 4.350 -0.000 0.000 0.328 198 T C -0.488 174.339 174.700 0.211 0.000 1.598 198 T CA -0.716 61.482 62.100 0.164 0.000 1.043 198 T CB 1.453 70.395 68.868 0.124 0.000 1.447 198 T HN 0.534 nan 8.240 nan 0.000 0.491 199 N N 1.446 120.245 118.700 0.165 0.000 2.205 199 N HA 0.167 4.907 4.740 -0.000 0.000 0.201 199 N C -0.630 175.011 175.510 0.219 0.000 1.128 199 N CA 0.068 53.212 53.050 0.156 0.000 0.867 199 N CB 0.471 39.001 38.487 0.071 0.000 0.996 199 N HN 0.663 nan 8.380 nan 0.000 0.503 200 D N 0.230 120.749 120.400 0.197 0.000 2.317 200 D HA 0.121 4.761 4.640 -0.000 0.000 0.234 200 D C 0.592 176.935 176.300 0.071 0.000 1.112 200 D CA -0.362 53.712 54.000 0.124 0.000 0.840 200 D CB 1.023 41.860 40.800 0.061 0.000 1.078 200 D HN -0.162 nan 8.370 nan 0.000 0.486 201 D N 2.691 123.152 120.400 0.103 0.000 2.104 201 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 201 D C 1.047 177.298 176.300 -0.082 0.000 0.994 201 D CA 1.086 55.094 54.000 0.014 0.000 0.830 201 D CB 0.102 40.955 40.800 0.088 0.000 0.959 201 D HN 0.518 nan 8.370 nan 0.000 0.452 202 D N -0.223 120.163 120.400 -0.024 0.000 2.097 202 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 202 D C 2.081 178.359 176.300 -0.038 0.000 0.989 202 D CA 0.300 54.285 54.000 -0.024 0.000 0.827 202 D CB -0.406 40.394 40.800 -0.001 0.000 0.966 202 D HN 0.065 nan 8.370 nan 0.000 0.456 203 L N 0.956 122.160 121.223 -0.031 0.000 2.012 203 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 203 L C 2.134 178.972 176.870 -0.053 0.000 1.073 203 L CA 1.805 56.632 54.840 -0.022 0.000 0.748 203 L CB -1.034 41.023 42.059 -0.003 0.000 0.891 203 L HN -0.001 nan 8.230 nan 0.000 0.431 204 A N -0.926 121.811 122.820 -0.138 0.000 1.902 204 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 204 A C 2.436 179.940 177.584 -0.134 0.000 1.181 204 A CA 1.878 53.792 52.037 -0.205 0.000 0.623 204 A CB -1.072 17.555 19.000 -0.622 0.000 0.818 204 A HN 0.537 nan 8.150 nan 0.000 0.443 205 A N -0.707 122.038 122.820 -0.126 0.000 1.898 205 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 205 A C 2.137 179.710 177.584 -0.020 0.000 1.181 205 A CA 1.957 53.957 52.037 -0.061 0.000 0.620 205 A CB -0.375 18.599 19.000 -0.044 0.000 0.819 205 A HN 0.292 nan 8.150 nan 0.000 0.442 206 K N -0.300 120.091 120.400 -0.014 0.000 2.057 206 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 206 K C 1.965 178.584 176.600 0.032 0.000 1.049 206 K CA 1.799 58.093 56.287 0.012 0.000 0.931 206 K CB -0.510 32.000 32.500 0.016 0.000 0.714 206 K HN 0.597 nan 8.250 nan 0.000 0.440 207 M N -0.094 119.523 119.600 0.027 0.000 2.117 207 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 207 M C 2.115 178.459 176.300 0.073 0.000 1.065 207 M CA 1.622 56.956 55.300 0.057 0.000 1.114 207 M CB -0.175 32.450 32.600 0.041 0.000 1.361 207 M HN 0.027 nan 8.290 nan 0.000 0.408 208 R N -0.039 120.489 120.500 0.047 0.000 2.092 208 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 208 R C 2.181 178.518 176.300 0.061 0.000 1.119 208 R CA 1.083 57.217 56.100 0.057 0.000 0.970 208 R CB -0.688 29.634 30.300 0.035 0.000 0.864 208 R HN 0.287 nan 8.270 nan 0.000 0.440 209 L N 1.163 122.414 121.223 0.047 0.000 2.083 209 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 209 L C 1.897 178.802 176.870 0.058 0.000 1.083 209 L CA 1.613 56.481 54.840 0.047 0.000 0.752 209 L CB -0.248 41.830 42.059 0.033 0.000 0.899 209 L HN 0.094 nan 8.230 nan 0.000 0.433 210 L N -0.832 120.436 121.223 0.076 0.000 2.109 210 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 210 L C 2.772 179.740 176.870 0.162 0.000 1.086 210 L CA 1.195 56.093 54.840 0.097 0.000 0.760 210 L CB -0.511 41.657 42.059 0.182 0.000 0.910 210 L HN 0.284 nan 8.230 nan 0.000 0.437 211 R N 0.648 121.258 120.500 0.185 0.000 2.105 211 R HA -0.115 4.224 4.340 -0.000 0.000 0.239 211 R C 1.470 177.861 176.300 0.151 0.000 1.135 211 R CA 1.346 57.574 56.100 0.214 0.000 0.967 211 R CB -0.307 30.101 30.300 0.181 0.000 0.861 211 R HN 0.337 nan 8.270 nan 0.000 0.442 212 G N -0.007 108.862 108.800 0.114 0.000 3.709 212 G HA2 0.014 3.973 3.960 -0.000 0.000 0.272 212 G HA3 0.014 3.973 3.960 -0.000 0.000 0.272 212 G C -0.229 174.739 174.900 0.114 0.000 1.259 212 G CA -0.314 44.849 45.100 0.106 0.000 1.512 212 G HN 0.327 nan 8.290 nan 0.000 0.625 213 Q N -1.037 118.806 119.800 0.071 0.000 2.348 213 Q HA -0.255 4.085 4.340 -0.000 0.000 0.221 213 Q C 1.648 177.700 176.000 0.088 0.000 0.735 213 Q CA 1.446 57.271 55.803 0.037 0.000 1.351 213 Q CB -1.823 27.005 28.738 0.151 0.000 1.640 213 Q HN 1.594 nan 8.270 nan 0.000 0.667 214 G N 0.417 109.262 108.800 0.076 0.000 2.168 214 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.257 214 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.257 214 G C 0.153 175.168 174.900 0.192 0.000 0.997 214 G CA 0.840 45.992 45.100 0.086 0.000 0.708 214 G HN 0.399 nan 8.290 nan 0.000 0.520 215 M N 0.667 120.385 119.600 0.196 0.000 2.243 215 M HA 0.387 4.866 4.480 -0.000 0.000 0.341 215 M C 0.330 176.581 176.300 -0.082 0.000 1.130 215 M CA -0.265 54.963 55.300 -0.119 0.000 1.162 215 M CB 0.435 32.920 32.600 -0.190 0.000 1.497 215 M HN 0.195 nan 8.290 nan 0.000 0.456 216 D N 4.979 125.311 120.400 -0.113 0.000 2.317 216 D HA 0.229 4.869 4.640 -0.000 0.000 0.252 216 D C -1.850 174.425 176.300 -0.041 0.000 1.174 216 D CA -1.628 52.365 54.000 -0.010 0.000 0.866 216 D CB 1.198 42.053 40.800 0.092 0.000 1.127 216 D HN 0.279 nan 8.370 nan 0.000 0.467 217 P HA -0.190 nan 4.420 nan 0.000 0.218 217 P C 0.619 177.892 177.300 -0.045 0.000 1.152 217 P CA 1.143 64.224 63.100 -0.030 0.000 0.857 217 P CB 0.187 31.877 31.700 -0.016 0.000 0.787 218 N N -1.327 117.347 118.700 -0.045 0.000 2.336 218 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 218 N C -0.208 175.254 175.510 -0.081 0.000 1.113 218 N CA 0.036 53.050 53.050 -0.061 0.000 0.858 218 N CB 0.175 38.626 38.487 -0.059 0.000 0.970 218 N HN 0.083 nan 8.380 nan 0.000 0.471 219 R N 0.360 120.818 120.500 -0.071 0.000 2.507 219 R HA 0.359 4.699 4.340 -0.000 0.000 0.298 219 R C -0.978 175.272 176.300 -0.083 0.000 1.087 219 R CA -0.995 55.064 56.100 -0.068 0.000 0.917 219 R CB 1.122 31.370 30.300 -0.085 0.000 1.173 219 R HN -0.159 nan 8.270 nan 0.000 0.472 220 R N 2.477 122.878 120.500 -0.165 0.000 2.488 220 R HA -0.119 4.221 4.340 -0.000 0.000 0.317 220 R C -0.418 175.715 176.300 -0.277 0.000 0.941 220 R CA 0.676 56.563 56.100 -0.355 0.000 1.076 220 R CB -0.486 29.532 30.300 -0.470 0.000 0.917 220 R HN 0.656 nan 8.270 nan 0.000 0.407 221 Y N 0.461 120.671 120.300 -0.150 0.000 4.272 221 Y HA -0.271 4.279 4.550 -0.000 0.000 0.232 221 Y C -0.404 175.370 175.900 -0.210 0.000 1.149 221 Y CA 0.561 58.589 58.100 -0.119 0.000 1.961 221 Y CB -2.218 36.339 38.460 0.161 0.000 1.611 221 Y HN 0.645 nan 8.280 nan 0.000 0.682 222 W N 1.952 122.958 121.300 -0.489 0.000 2.294 222 W HA 0.573 5.233 4.660 -0.001 0.000 0.314 222 W C -1.255 174.945 176.519 -0.532 0.000 1.044 222 W CA -1.006 56.142 57.345 -0.327 0.000 1.284 222 W CB 0.537 29.904 29.460 -0.156 0.000 1.231 222 W HN -0.073 nan 8.180 nan 0.000 0.419 223 F N 7.553 127.234 119.950 -0.448 0.000 2.403 223 F HA 0.285 4.811 4.527 -0.000 0.000 0.355 223 F C -1.310 174.272 175.800 -0.363 0.000 1.119 223 F CA -2.170 55.654 58.000 -0.295 0.000 1.007 223 F CB 1.219 40.068 39.000 -0.251 0.000 1.194 223 F HN 0.156 nan 8.300 nan 0.000 0.443 224 P HA 0.091 nan 4.420 nan 0.000 0.239 224 P C -0.042 177.252 177.300 -0.009 0.000 1.188 224 P CA 0.932 64.039 63.100 0.012 0.000 0.794 224 P CB 0.881 32.644 31.700 0.105 0.000 0.937 225 I N -5.305 115.256 120.570 -0.014 0.000 3.354 225 I HA 0.469 4.639 4.170 -0.000 0.000 0.316 225 I C -0.900 175.151 176.117 -0.110 0.000 1.182 225 I CA -1.772 59.493 61.300 -0.058 0.000 0.942 225 I CB 2.136 40.103 38.000 -0.055 0.000 1.299 225 I HN -0.501 nan 8.210 nan 0.000 0.473 226 V N 2.075 121.881 119.914 -0.180 0.000 2.432 226 V HA 0.621 4.741 4.120 -0.000 0.000 0.271 226 V C 0.773 176.585 176.094 -0.471 0.000 1.046 226 V CA 0.296 62.417 62.300 -0.299 0.000 0.945 226 V CB 0.310 31.961 31.823 -0.286 0.000 0.992 226 V HN 0.959 nan 8.190 nan 0.000 0.471 227 G N 3.335 111.821 108.800 -0.523 0.000 2.971 227 G HA2 0.798 4.758 3.960 -0.000 0.000 0.235 227 G HA3 0.798 4.758 3.960 -0.000 0.000 0.235 227 G C -1.381 172.909 174.900 -1.016 0.000 1.351 227 G CA -0.466 44.231 45.100 -0.671 0.000 1.039 227 G HN 0.388 nan 8.290 nan 0.000 0.563 228 F N -1.593 118.183 119.950 -0.290 0.000 2.675 228 F HA 0.468 4.995 4.527 -0.000 0.000 0.324 228 F C -0.183 175.380 175.800 -0.395 0.000 1.106 228 F CA -1.215 56.464 58.000 -0.535 0.000 0.970 228 F CB 2.078 40.389 39.000 -1.147 0.000 1.385 228 F HN 0.310 nan 8.300 nan 0.000 0.489 229 N N 0.720 119.315 118.700 -0.175 0.000 2.816 229 N HA 0.175 4.915 4.740 -0.000 0.000 0.236 229 N C -1.122 174.478 175.510 0.150 0.000 1.076 229 N CA -0.129 52.923 53.050 0.004 0.000 0.902 229 N CB -0.054 38.455 38.487 0.037 0.000 1.149 229 N HN 0.444 nan 8.380 nan 0.000 0.506 230 Y N 0.991 121.368 120.300 0.129 0.000 2.612 230 Y HA 0.360 4.910 4.550 -0.000 0.000 0.250 230 Y C 0.504 176.457 175.900 0.089 0.000 1.175 230 Y CA -0.612 57.541 58.100 0.089 0.000 1.205 230 Y CB 0.072 38.566 38.460 0.057 0.000 1.201 230 Y HN 0.193 nan 8.280 nan 0.000 0.532 231 R N 1.035 121.676 120.500 0.235 0.000 2.537 231 R HA 0.175 4.515 4.340 -0.000 0.000 0.280 231 R C 0.380 176.778 176.300 0.163 0.000 1.058 231 R CA -0.082 56.124 56.100 0.176 0.000 1.057 231 R CB 0.711 31.101 30.300 0.150 0.000 0.973 231 R HN 0.197 nan 8.270 nan 0.000 0.438 232 M N 1.902 121.596 119.600 0.157 0.000 2.255 232 M HA 0.117 4.597 4.480 -0.000 0.000 0.336 232 M C 0.162 176.548 176.300 0.144 0.000 1.135 232 M CA -0.056 55.338 55.300 0.157 0.000 1.145 232 M CB 1.195 33.907 32.600 0.185 0.000 1.473 232 M HN 0.721 nan 8.290 nan 0.000 0.462 233 T N 0.265 114.897 114.554 0.129 0.000 2.874 233 T HA 0.223 4.573 4.350 -0.000 0.000 0.281 233 T C 0.698 175.471 174.700 0.122 0.000 0.994 233 T CA -0.706 61.468 62.100 0.124 0.000 1.015 233 T CB 0.827 69.758 68.868 0.105 0.000 1.028 233 T HN 0.825 nan 8.240 nan 0.000 0.523 234 N N 0.188 118.975 118.700 0.146 0.000 2.166 234 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 234 N C 1.604 177.163 175.510 0.083 0.000 1.019 234 N CA 1.166 54.320 53.050 0.174 0.000 0.856 234 N CB -0.622 38.019 38.487 0.256 0.000 0.993 234 N HN 0.704 nan 8.380 nan 0.000 0.426 235 I N 0.078 120.679 120.570 0.052 0.000 2.353 235 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 235 I C 2.106 178.168 176.117 -0.093 0.000 1.119 235 I CA 0.835 62.114 61.300 -0.035 0.000 1.417 235 I CB -0.206 37.793 38.000 -0.002 0.000 1.078 235 I HN 0.203 nan 8.210 nan 0.000 0.421 236 Q N 0.629 120.407 119.800 -0.036 0.000 2.084 236 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 236 Q C 2.439 178.333 176.000 -0.178 0.000 0.978 236 Q CA 1.957 57.725 55.803 -0.059 0.000 0.844 236 Q CB -0.294 28.471 28.738 0.044 0.000 0.898 236 Q HN 0.574 nan 8.270 nan 0.000 0.426 237 A N 0.763 123.518 122.820 -0.109 0.000 1.898 237 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 237 A C 2.274 179.585 177.584 -0.454 0.000 1.181 237 A CA 1.473 53.400 52.037 -0.184 0.000 0.620 237 A CB -0.899 18.181 19.000 0.133 0.000 0.819 237 A HN 0.400 nan 8.150 nan 0.000 0.442 238 A N 0.182 122.718 122.820 -0.474 0.000 1.883 238 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 238 A C 2.114 179.430 177.584 -0.448 0.000 1.186 238 A CA 1.679 53.209 52.037 -0.846 0.000 0.624 238 A CB -0.676 17.659 19.000 -1.108 0.000 0.822 238 A HN 0.508 nan 8.150 nan 0.000 0.444 239 I N -0.432 119.909 120.570 -0.382 0.000 2.286 239 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 239 I C 2.667 178.536 176.117 -0.414 0.000 1.115 239 I CA 1.061 62.178 61.300 -0.304 0.000 1.392 239 I CB -0.609 37.252 38.000 -0.232 0.000 1.065 239 I HN 0.413 nan 8.210 nan 0.000 0.418 240 G N 1.087 109.448 108.800 -0.730 0.000 2.414 240 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 240 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 240 G C 1.659 175.884 174.900 -1.125 0.000 1.188 240 G CA 0.665 44.980 45.100 -1.308 0.000 0.783 240 G HN 0.279 nan 8.290 nan 0.000 0.537 241 L N 1.340 121.998 121.223 -0.941 0.000 2.012 241 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 241 L C 3.093 179.961 176.870 -0.005 0.000 1.073 241 L CA 2.352 57.058 54.840 -0.223 0.000 0.748 241 L CB -0.613 41.456 42.059 0.016 0.000 0.891 241 L HN 0.239 nan 8.230 nan 0.000 0.431 242 A N -1.090 121.751 122.820 0.036 0.000 1.908 242 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 242 A C 2.214 179.779 177.584 -0.031 0.000 1.181 242 A CA 1.889 53.925 52.037 -0.002 0.000 0.627 242 A CB -0.646 18.252 19.000 -0.171 0.000 0.818 242 A HN 0.655 nan 8.150 nan 0.000 0.445 243 Q N -1.195 118.554 119.800 -0.085 0.000 2.084 243 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 243 Q C 2.103 178.136 176.000 0.055 0.000 0.978 243 Q CA 1.364 57.163 55.803 -0.006 0.000 0.844 243 Q CB -0.467 28.177 28.738 -0.158 0.000 0.898 243 Q HN 0.575 nan 8.270 nan 0.000 0.426 244 L N 1.600 122.824 121.223 0.002 0.000 2.131 244 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 244 L C 1.823 178.700 176.870 0.012 0.000 1.092 244 L CA 1.671 56.521 54.840 0.017 0.000 0.759 244 L CB -0.367 41.769 42.059 0.127 0.000 0.903 244 L HN 0.159 nan 8.230 nan 0.000 0.435 245 E N -0.595 119.635 120.200 0.051 0.000 2.153 245 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 245 E C 1.253 177.869 176.600 0.028 0.000 0.988 245 E CA 0.973 57.403 56.400 0.049 0.000 0.811 245 E CB -0.006 29.733 29.700 0.065 0.000 0.746 245 E HN 0.480 nan 8.360 nan 0.000 0.466 246 R N 0.316 120.843 120.500 0.045 0.000 2.609 246 R HA 0.122 4.462 4.340 -0.000 0.000 0.326 246 R C 1.571 177.915 176.300 0.074 0.000 1.090 246 R CA -0.155 55.937 56.100 -0.014 0.000 1.072 246 R CB 0.579 30.785 30.300 -0.157 0.000 1.330 246 R HN 0.003 nan 8.270 nan 0.000 0.572 247 V N 1.228 121.203 119.914 0.103 0.000 2.332 247 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 247 V C 1.371 177.543 176.094 0.131 0.000 1.055 247 V CA 2.141 64.513 62.300 0.119 0.000 1.038 247 V CB -0.016 31.715 31.823 -0.152 0.000 0.651 247 V HN 0.366 nan 8.190 nan 0.000 0.450 248 D N -0.652 119.799 120.400 0.084 0.000 2.178 248 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 248 D C 2.084 178.419 176.300 0.058 0.000 0.974 248 D CA 1.332 55.390 54.000 0.097 0.000 0.841 248 D CB 0.002 40.852 40.800 0.083 0.000 0.953 248 D HN 0.567 nan 8.370 nan 0.000 0.478 249 E N 0.052 120.246 120.200 -0.011 0.000 2.072 249 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 249 E C 2.068 178.639 176.600 -0.047 0.000 0.985 249 E CA 0.770 57.124 56.400 -0.076 0.000 0.801 249 E CB -0.181 29.411 29.700 -0.179 0.000 0.750 249 E HN 0.401 nan 8.360 nan 0.000 0.452 250 H N -0.009 119.093 119.070 0.053 0.000 2.353 250 H HA -0.055 4.501 4.556 -0.000 0.000 0.300 250 H C 2.180 177.569 175.328 0.101 0.000 1.090 250 H CA 1.135 57.230 56.048 0.078 0.000 1.327 250 H CB -0.250 29.563 29.762 0.085 0.000 1.383 250 H HN 0.167 nan 8.280 nan 0.000 0.508 251 L N 0.005 121.364 121.223 0.227 0.000 2.093 251 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 251 L C 2.767 179.717 176.870 0.132 0.000 1.085 251 L CA 0.797 55.758 54.840 0.202 0.000 0.755 251 L CB -0.373 41.811 42.059 0.208 0.000 0.904 251 L HN 0.193 nan 8.230 nan 0.000 0.435 252 A N -0.218 122.649 122.820 0.079 0.000 2.015 252 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 252 A C 2.462 180.033 177.584 -0.021 0.000 1.163 252 A CA 1.416 53.465 52.037 0.019 0.000 0.646 252 A CB -0.427 18.572 19.000 -0.001 0.000 0.806 252 A HN 0.392 nan 8.150 nan 0.000 0.448 253 A N -0.285 122.545 122.820 0.016 0.000 1.929 253 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 253 A C 2.202 179.775 177.584 -0.019 0.000 1.176 253 A CA 1.240 53.273 52.037 -0.006 0.000 0.628 253 A CB -0.338 18.696 19.000 0.056 0.000 0.816 253 A HN 0.485 nan 8.150 nan 0.000 0.444 254 R N -0.629 119.905 120.500 0.057 0.000 2.189 254 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 254 R C 1.914 178.201 176.300 -0.022 0.000 1.074 254 R CA 1.063 57.201 56.100 0.063 0.000 0.991 254 R CB -0.102 30.312 30.300 0.190 0.000 0.883 254 R HN 0.653 nan 8.270 nan 0.000 0.457 255 E N 0.096 120.276 120.200 -0.033 0.000 2.152 255 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 255 E C 1.957 178.399 176.600 -0.262 0.000 0.983 255 E CA 0.646 56.987 56.400 -0.098 0.000 0.818 255 E CB 0.170 29.842 29.700 -0.046 0.000 0.758 255 E HN 0.164 nan 8.360 nan 0.000 0.467 256 R N 0.207 120.506 120.500 -0.335 0.000 2.066 256 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 256 R C 2.285 178.034 176.300 -0.917 0.000 1.131 256 R CA 0.990 56.685 56.100 -0.674 0.000 0.955 256 R CB -0.109 29.811 30.300 -0.634 0.000 0.851 256 R HN 0.058 nan 8.270 nan 0.000 0.432 257 V N 0.343 119.953 119.914 -0.506 0.000 2.332 257 V HA -0.230 3.889 4.120 -0.000 0.000 0.248 257 V C 2.317 178.260 176.094 -0.252 0.000 1.055 257 V CA 1.601 63.747 62.300 -0.256 0.000 1.038 257 V CB -0.245 31.529 31.823 -0.082 0.000 0.651 257 V HN 0.173 nan 8.190 nan 0.000 0.450 258 V N 0.711 120.456 119.914 -0.282 0.000 2.453 258 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 258 V C 2.623 178.517 176.094 -0.332 0.000 1.048 258 V CA 1.944 64.023 62.300 -0.368 0.000 1.049 258 V CB -1.259 30.207 31.823 -0.595 0.000 0.672 258 V HN 0.610 nan 8.190 nan 0.000 0.457 259 G N -0.811 107.780 108.800 -0.348 0.000 2.442 259 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 259 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 259 G C 1.334 176.117 174.900 -0.195 0.000 1.141 259 G CA 0.744 45.672 45.100 -0.287 0.000 0.763 259 G HN 0.500 nan 8.290 nan 0.000 0.554 260 W N -0.013 121.151 121.300 -0.228 0.000 2.381 260 W HA 0.052 4.712 4.660 -0.000 0.000 0.301 260 W C 2.308 178.649 176.519 -0.297 0.000 1.205 260 W CA 0.483 57.668 57.345 -0.267 0.000 1.285 260 W CB -1.252 28.010 29.460 -0.329 0.000 1.133 260 W HN 0.241 nan 8.180 nan 0.000 0.521 261 Y N 1.053 121.261 120.300 -0.154 0.000 2.145 261 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 261 Y C 2.513 178.301 175.900 -0.188 0.000 1.145 261 Y CA 1.677 59.589 58.100 -0.314 0.000 1.148 261 Y CB -0.987 36.913 38.460 -0.933 0.000 0.981 261 Y HN -0.041 nan 8.280 nan 0.000 0.507 262 E N 0.151 120.342 120.200 -0.014 0.000 2.204 262 E HA -0.241 4.108 4.350 -0.000 0.000 0.195 262 E C 1.887 178.516 176.600 0.048 0.000 0.990 262 E CA 1.527 57.957 56.400 0.049 0.000 0.821 262 E CB -0.306 29.408 29.700 0.023 0.000 0.750 262 E HN 0.756 nan 8.360 nan 0.000 0.477 263 Q N 0.182 120.003 119.800 0.035 0.000 2.392 263 Q HA 0.055 4.395 4.340 -0.000 0.000 0.203 263 Q C 1.167 177.190 176.000 0.039 0.000 0.917 263 Q CA 0.522 56.349 55.803 0.040 0.000 0.939 263 Q CB 0.140 28.906 28.738 0.046 0.000 1.063 263 Q HN 0.010 nan 8.270 nan 0.000 0.516 264 K N 0.218 120.643 120.400 0.040 0.000 2.358 264 K HA 0.256 4.576 4.320 -0.000 0.000 0.200 264 K C 1.547 178.176 176.600 0.049 0.000 1.030 264 K CA -0.180 56.123 56.287 0.027 0.000 1.097 264 K CB 0.450 32.948 32.500 -0.003 0.000 0.862 264 K HN 0.075 nan 8.250 nan 0.000 0.534 265 L N 0.914 122.182 121.223 0.075 0.000 2.081 265 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 265 L C 2.420 179.328 176.870 0.065 0.000 1.080 265 L CA 1.421 56.316 54.840 0.090 0.000 0.754 265 L CB -0.540 41.590 42.059 0.119 0.000 0.893 265 L HN 0.277 nan 8.230 nan 0.000 0.433 266 A N 0.466 123.316 122.820 0.049 0.000 1.997 266 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 266 A C 2.187 179.790 177.584 0.031 0.000 1.172 266 A CA 1.801 53.860 52.037 0.037 0.000 0.645 266 A CB -0.580 18.438 19.000 0.029 0.000 0.813 266 A HN 0.488 nan 8.150 nan 0.000 0.454 267 R N -0.313 120.205 120.500 0.029 0.000 2.249 267 R HA -0.061 4.279 4.340 -0.000 0.000 0.230 267 R C 1.242 177.558 176.300 0.027 0.000 1.121 267 R CA 1.359 57.473 56.100 0.022 0.000 0.997 267 R CB -0.543 29.767 30.300 0.016 0.000 0.867 267 R HN 0.561 nan 8.270 nan 0.000 0.465 268 L N -0.123 121.123 121.223 0.038 0.000 2.585 268 L HA 0.256 4.596 4.340 -0.000 0.000 0.226 268 L C 1.294 178.184 176.870 0.034 0.000 1.113 268 L CA 0.116 54.979 54.840 0.038 0.000 0.876 268 L CB -0.458 41.631 42.059 0.049 0.000 1.072 268 L HN 0.295 nan 8.230 nan 0.000 0.468 269 G N 2.499 111.319 108.800 0.033 0.000 2.578 269 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.284 269 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.284 269 G C 0.557 175.475 174.900 0.030 0.000 1.283 269 G CA 0.555 45.672 45.100 0.028 0.000 0.944 269 G HN 0.594 nan 8.290 nan 0.000 0.558 270 N N 0.580 119.294 118.700 0.024 0.000 2.609 270 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 270 N C 1.749 177.273 175.510 0.022 0.000 1.157 270 N CA 1.396 54.459 53.050 0.023 0.000 0.918 270 N CB -0.234 38.264 38.487 0.018 0.000 0.978 270 N HN 0.719 nan 8.380 nan 0.000 0.448 271 R N -0.162 120.353 120.500 0.024 0.000 2.285 271 R HA 0.040 4.380 4.340 -0.000 0.000 0.213 271 R C 0.306 176.620 176.300 0.024 0.000 1.068 271 R CA 0.806 56.919 56.100 0.022 0.000 1.004 271 R CB -0.032 30.281 30.300 0.022 0.000 0.873 271 R HN 0.358 nan 8.270 nan 0.000 0.467 272 V N -4.177 115.755 119.914 0.030 0.000 3.114 272 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 272 V C -0.655 175.458 176.094 0.031 0.000 1.168 272 V CA -0.955 61.362 62.300 0.029 0.000 1.015 272 V CB 2.398 34.242 31.823 0.035 0.000 1.050 272 V HN -0.228 nan 8.190 nan 0.000 0.433 273 T N 3.312 117.882 114.554 0.028 0.000 2.779 273 T HA 0.454 4.804 4.350 -0.000 0.000 0.280 273 T C -0.195 174.520 174.700 0.026 0.000 0.987 273 T CA -0.618 61.499 62.100 0.028 0.000 0.966 273 T CB 1.067 69.945 68.868 0.017 0.000 0.933 273 T HN 1.091 nan 8.240 nan 0.000 0.442 274 K N 3.717 124.138 120.400 0.035 0.000 2.168 274 K HA 0.329 4.649 4.320 -0.000 0.000 0.258 274 K C -2.478 174.121 176.600 -0.002 0.000 1.010 274 K CA -1.617 54.669 56.287 -0.001 0.000 0.929 274 K CB 0.094 32.637 32.500 0.071 0.000 0.998 274 K HN 0.191 nan 8.250 nan 0.000 0.479 275 P HA -0.076 nan 4.420 nan 0.000 0.262 275 P C -0.894 176.497 177.300 0.153 0.000 1.199 275 P CA 0.315 63.455 63.100 0.067 0.000 0.763 275 P CB 0.113 31.822 31.700 0.016 0.000 0.790 276 H N 3.355 122.474 119.070 0.082 0.000 2.732 276 H HA 0.266 4.822 4.556 -0.000 0.000 0.351 276 H C -0.706 174.711 175.328 0.147 0.000 1.090 276 H CA -0.098 55.997 56.048 0.077 0.000 1.431 276 H CB 0.529 30.295 29.762 0.007 0.000 1.447 276 H HN 0.056 nan 8.280 nan 0.000 0.582 277 V N 5.291 124.843 119.914 -0.604 0.000 2.313 277 V HA 0.441 4.561 4.120 -0.000 0.000 0.278 277 V C 0.342 176.182 176.094 -0.424 0.000 1.017 277 V CA -0.516 61.627 62.300 -0.262 0.000 0.823 277 V CB 0.586 32.401 31.823 -0.014 0.000 1.010 277 V HN 1.081 nan 8.190 nan 0.000 0.443 278 A N 5.277 127.995 122.820 -0.170 0.000 2.498 278 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 278 A C 0.670 178.239 177.584 -0.024 0.000 1.068 278 A CA -0.138 51.891 52.037 -0.013 0.000 0.766 278 A CB 0.104 19.152 19.000 0.080 0.000 1.003 278 A HN 0.904 nan 8.150 nan 0.000 0.497 279 L N 2.687 123.902 121.223 -0.013 0.000 2.715 279 L HA 0.041 4.380 4.340 -0.000 0.000 0.238 279 L C 1.622 178.453 176.870 -0.065 0.000 1.212 279 L CA 0.700 55.525 54.840 -0.026 0.000 1.017 279 L CB -0.958 41.093 42.059 -0.012 0.000 1.269 279 L HN 0.981 nan 8.230 nan 0.000 0.452 280 T N -3.894 110.605 114.554 -0.092 0.000 3.060 280 T HA 0.438 4.788 4.350 -0.000 0.000 0.249 280 T C 0.828 175.379 174.700 -0.248 0.000 1.079 280 T CA 0.308 62.261 62.100 -0.244 0.000 1.013 280 T CB 0.754 69.414 68.868 -0.347 0.000 0.975 280 T HN 0.416 nan 8.240 nan 0.000 0.518 281 G N 0.604 109.346 108.800 -0.097 0.000 2.323 281 G HA2 0.389 4.349 3.960 -0.000 0.000 0.291 281 G HA3 0.389 4.349 3.960 -0.000 0.000 0.291 281 G C -1.762 173.149 174.900 0.017 0.000 1.278 281 G CA -1.264 43.808 45.100 -0.047 0.000 0.860 281 G HN 0.358 nan 8.290 nan 0.000 0.504 282 R N 0.118 120.645 120.500 0.044 0.000 2.389 282 R HA 0.371 4.711 4.340 -0.000 0.000 0.295 282 R C -0.745 175.632 176.300 0.129 0.000 1.075 282 R CA -0.529 55.629 56.100 0.096 0.000 1.005 282 R CB 0.320 30.681 30.300 0.102 0.000 0.987 282 R HN 0.597 nan 8.270 nan 0.000 0.452 283 H N 5.371 124.458 119.070 0.029 0.000 2.597 283 H HA 0.101 4.657 4.556 -0.000 0.000 0.303 283 H C 0.674 176.009 175.328 0.011 0.000 1.057 283 H CA -0.637 55.367 56.048 -0.073 0.000 1.261 283 H CB 1.346 30.964 29.762 -0.239 0.000 1.397 283 H HN 0.493 nan 8.280 nan 0.000 0.461 284 V N 2.854 123.018 119.914 0.417 0.000 3.380 284 V HA 0.094 4.214 4.120 -0.000 0.000 0.268 284 V C 0.535 176.943 176.094 0.522 0.000 1.168 284 V CA 0.081 62.630 62.300 0.415 0.000 1.156 284 V CB -1.495 30.532 31.823 0.340 0.000 0.785 284 V HN 0.656 nan 8.190 nan 0.000 0.487 285 F N -0.422 119.855 119.950 0.545 0.000 2.667 285 F HA -0.214 4.313 4.527 -0.000 0.000 0.250 285 F C 1.079 177.096 175.800 0.361 0.000 1.029 285 F CA 0.888 59.107 58.000 0.365 0.000 0.944 285 F CB -1.867 37.209 39.000 0.127 0.000 0.994 285 F HN 0.561 nan 8.300 nan 0.000 0.842 286 W N 1.619 123.152 121.300 0.389 0.000 2.355 286 W HA -0.017 4.643 4.660 0.000 0.000 0.309 286 W C 0.955 177.663 176.519 0.316 0.000 1.206 286 W CA 1.597 59.132 57.345 0.317 0.000 1.284 286 W CB 0.128 29.755 29.460 0.278 0.000 1.145 286 W HN 0.097 nan 8.180 nan 0.000 0.502 287 M N -0.080 119.538 119.600 0.030 0.000 2.457 287 M HA 0.132 4.612 4.480 -0.000 0.000 0.300 287 M C -1.711 174.622 176.300 0.054 0.000 1.141 287 M CA -1.233 53.921 55.300 -0.244 0.000 0.901 287 M CB 1.144 33.402 32.600 -0.570 0.000 1.687 287 M HN -0.066 nan 8.290 nan 0.000 0.449 288 Y N 1.873 122.114 120.300 -0.098 0.000 2.452 288 Y HA 0.392 4.942 4.550 -0.000 0.000 0.348 288 Y C -0.440 175.297 175.900 -0.270 0.000 0.985 288 Y CA 0.369 58.415 58.100 -0.091 0.000 1.214 288 Y CB 0.634 38.893 38.460 -0.335 0.000 1.136 288 Y HN 0.564 nan 8.280 nan 0.000 0.523 289 T N 7.072 121.354 114.554 -0.453 0.000 2.786 289 T HA 0.509 4.859 4.350 -0.000 0.000 0.283 289 T C -0.619 173.901 174.700 -0.301 0.000 0.992 289 T CA -0.669 61.134 62.100 -0.496 0.000 0.954 289 T CB 0.577 68.895 68.868 -0.915 0.000 0.934 289 T HN 0.539 nan 8.240 nan 0.000 0.440 290 V N 1.617 121.406 119.914 -0.208 0.000 2.994 290 V HA 0.738 4.858 4.120 -0.000 0.000 0.318 290 V C -0.497 175.611 176.094 0.023 0.000 1.085 290 V CA -1.411 60.848 62.300 -0.069 0.000 0.998 290 V CB 1.713 33.498 31.823 -0.063 0.000 1.063 290 V HN 0.746 nan 8.190 nan 0.000 0.447 291 R N 2.371 122.911 120.500 0.067 0.000 2.387 291 R HA 0.625 4.965 4.340 -0.000 0.000 0.314 291 R C -0.955 175.365 176.300 0.033 0.000 0.958 291 R CA -0.718 55.426 56.100 0.074 0.000 0.846 291 R CB 1.853 32.206 30.300 0.087 0.000 1.147 291 R HN 0.683 nan 8.270 nan 0.000 0.447 292 L N 1.521 122.758 121.223 0.023 0.000 2.417 292 L HA 0.242 4.582 4.340 -0.000 0.000 0.268 292 L C 1.280 178.162 176.870 0.020 0.000 1.158 292 L CA -0.335 54.516 54.840 0.017 0.000 0.819 292 L CB 0.569 42.635 42.059 0.011 0.000 1.112 292 L HN 0.731 nan 8.230 nan 0.000 0.458 293 G N 0.927 109.737 108.800 0.018 0.000 2.380 293 G HA2 0.021 3.981 3.960 -0.000 0.000 0.242 293 G HA3 0.021 3.981 3.960 -0.000 0.000 0.242 293 G C 0.747 175.656 174.900 0.015 0.000 1.298 293 G CA -0.395 44.715 45.100 0.016 0.000 0.878 293 G HN 0.823 nan 8.290 nan 0.000 0.542 294 E N 2.053 122.261 120.200 0.014 0.000 2.171 294 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 294 E C 2.435 179.043 176.600 0.013 0.000 0.997 294 E CA 1.293 57.702 56.400 0.014 0.000 0.810 294 E CB -0.023 29.684 29.700 0.012 0.000 0.738 294 E HN 0.604 nan 8.360 nan 0.000 0.467 295 G N 0.908 109.716 108.800 0.012 0.000 2.744 295 G HA2 0.026 3.985 3.960 -0.000 0.000 0.211 295 G HA3 0.026 3.985 3.960 -0.000 0.000 0.211 295 G C 0.871 175.778 174.900 0.012 0.000 1.143 295 G CA -0.171 44.936 45.100 0.011 0.000 0.788 295 G HN 0.020 nan 8.290 nan 0.000 0.534 296 L N 0.475 121.705 121.223 0.013 0.000 2.473 296 L HA 0.155 4.495 4.340 -0.000 0.000 0.268 296 L C 1.693 178.570 176.870 0.012 0.000 1.215 296 L CA -0.462 54.385 54.840 0.012 0.000 0.823 296 L CB 1.005 43.072 42.059 0.013 0.000 1.099 296 L HN -0.037 nan 8.230 nan 0.000 0.483 297 S N -0.894 114.813 115.700 0.011 0.000 2.425 297 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 297 S C 0.852 175.459 174.600 0.012 0.000 1.024 297 S CA 0.461 58.667 58.200 0.011 0.000 0.951 297 S CB 0.056 63.262 63.200 0.010 0.000 0.796 297 S HN 0.809 nan 8.310 nan 0.000 0.498 298 T N 2.462 117.023 114.554 0.012 0.000 2.788 298 T HA 0.356 4.706 4.350 -0.000 0.000 0.287 298 T C 0.150 174.858 174.700 0.014 0.000 1.007 298 T CA -0.274 61.833 62.100 0.013 0.000 1.005 298 T CB 0.681 69.556 68.868 0.012 0.000 1.012 298 T HN 0.373 nan 8.240 nan 0.000 0.530 299 T N 1.075 115.638 114.554 0.015 0.000 2.925 299 T HA 0.422 4.772 4.350 -0.000 0.000 0.285 299 T C 1.252 175.961 174.700 0.015 0.000 1.021 299 T CA -1.034 61.077 62.100 0.017 0.000 1.042 299 T CB 1.503 70.384 68.868 0.021 0.000 1.037 299 T HN 0.525 nan 8.240 nan 0.000 0.481 300 R N 0.858 121.366 120.500 0.013 0.000 2.103 300 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 300 R C 1.043 177.345 176.300 0.005 0.000 1.142 300 R CA 2.147 58.249 56.100 0.003 0.000 0.960 300 R CB -0.995 29.302 30.300 -0.004 0.000 0.858 300 R HN 0.769 nan 8.270 nan 0.000 0.439 301 D N 0.060 120.470 120.400 0.017 0.000 2.144 301 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 301 D C 1.885 178.198 176.300 0.022 0.000 0.984 301 D CA 1.123 55.138 54.000 0.026 0.000 0.834 301 D CB -0.146 40.680 40.800 0.044 0.000 0.955 301 D HN 0.234 nan 8.370 nan 0.000 0.465 302 Q N 0.277 120.088 119.800 0.019 0.000 2.172 302 Q HA -0.032 4.307 4.340 -0.000 0.000 0.200 302 Q C 1.925 177.933 176.000 0.013 0.000 0.964 302 Q CA 0.677 56.490 55.803 0.017 0.000 0.855 302 Q CB -0.156 28.591 28.738 0.016 0.000 0.918 302 Q HN 0.086 nan 8.270 nan 0.000 0.444 303 V N 0.544 120.464 119.914 0.010 0.000 2.287 303 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 303 V C 2.177 178.274 176.094 0.006 0.000 1.053 303 V CA 1.960 64.265 62.300 0.007 0.000 1.027 303 V CB -0.562 31.263 31.823 0.003 0.000 0.646 303 V HN 0.404 nan 8.190 nan 0.000 0.447 304 I N -0.675 119.898 120.570 0.005 0.000 2.286 304 I HA -0.250 3.919 4.170 -0.000 0.000 0.248 304 I C 2.521 178.646 176.117 0.013 0.000 1.115 304 I CA 1.581 62.885 61.300 0.006 0.000 1.392 304 I CB -0.373 37.630 38.000 0.004 0.000 1.065 304 I HN 0.262 nan 8.210 nan 0.000 0.418 305 K N 0.369 120.779 120.400 0.016 0.000 2.103 305 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 305 K C 1.635 178.244 176.600 0.015 0.000 1.052 305 K CA 1.243 57.541 56.287 0.017 0.000 0.945 305 K CB -0.050 32.461 32.500 0.018 0.000 0.722 305 K HN 0.247 nan 8.250 nan 0.000 0.443 306 D N 1.015 121.422 120.400 0.013 0.000 2.097 306 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 306 D C 1.940 178.247 176.300 0.011 0.000 0.984 306 D CA 0.896 54.903 54.000 0.011 0.000 0.826 306 D CB -0.133 40.673 40.800 0.010 0.000 0.973 306 D HN 0.094 nan 8.370 nan 0.000 0.460 307 L N 0.559 121.789 121.223 0.012 0.000 2.046 307 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 307 L C 2.150 179.028 176.870 0.014 0.000 1.077 307 L CA 1.222 56.070 54.840 0.013 0.000 0.747 307 L CB -0.381 41.687 42.059 0.014 0.000 0.896 307 L HN -0.011 nan 8.230 nan 0.000 0.432 308 D N -0.006 120.404 120.400 0.015 0.000 2.104 308 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 308 D C 2.170 178.479 176.300 0.015 0.000 0.994 308 D CA 1.493 55.504 54.000 0.018 0.000 0.830 308 D CB 0.105 40.917 40.800 0.020 0.000 0.959 308 D HN 0.281 nan 8.370 nan 0.000 0.452 309 A N -0.109 122.719 122.820 0.013 0.000 1.978 309 A HA -0.097 4.222 4.320 -0.000 0.000 0.220 309 A C 2.140 179.729 177.584 0.008 0.000 1.170 309 A CA 0.861 52.904 52.037 0.010 0.000 0.636 309 A CB -0.689 18.317 19.000 0.009 0.000 0.810 309 A HN 0.385 nan 8.150 nan 0.000 0.448 310 L N -1.154 120.074 121.223 0.008 0.000 2.610 310 L HA 0.139 4.479 4.340 -0.000 0.000 0.232 310 L C 1.582 178.455 176.870 0.005 0.000 1.149 310 L CA 0.517 55.360 54.840 0.005 0.000 0.872 310 L CB -0.285 41.777 42.059 0.004 0.000 0.992 310 L HN 0.601 nan 8.230 nan 0.000 0.447 311 G N 0.933 109.738 108.800 0.009 0.000 2.137 311 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 311 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 311 G C -0.036 174.873 174.900 0.016 0.000 1.002 311 G CA -0.215 44.891 45.100 0.011 0.000 0.702 311 G HN 0.298 nan 8.290 nan 0.000 0.515 312 I N 0.678 121.259 120.570 0.018 0.000 2.389 312 I HA 0.382 4.552 4.170 -0.000 0.000 0.288 312 I C 0.375 176.510 176.117 0.029 0.000 0.999 312 I CA -0.751 60.564 61.300 0.025 0.000 1.129 312 I CB 1.765 39.779 38.000 0.024 0.000 1.288 312 I HN 0.191 nan 8.210 nan 0.000 0.444 313 E N 4.872 125.094 120.200 0.037 0.000 2.366 313 E HA 0.514 4.864 4.350 -0.000 0.000 0.266 313 E C -0.640 175.976 176.600 0.026 0.000 1.051 313 E CA -0.146 56.276 56.400 0.036 0.000 0.884 313 E CB 0.967 30.695 29.700 0.046 0.000 1.006 313 E HN 0.712 nan 8.360 nan 0.000 0.417 314 S N 3.415 119.122 115.700 0.012 0.000 2.615 314 S HA 0.649 5.119 4.470 -0.000 0.000 0.269 314 S C -1.097 173.487 174.600 -0.026 0.000 1.161 314 S CA -1.197 56.993 58.200 -0.016 0.000 0.817 314 S CB 1.608 64.795 63.200 -0.022 0.000 1.131 314 S HN 0.415 nan 8.310 nan 0.000 0.467 315 R N 0.256 120.714 120.500 -0.071 0.000 2.808 315 R HA 0.704 5.044 4.340 -0.000 0.000 0.272 315 R C -3.187 173.032 176.300 -0.135 0.000 0.995 315 R CA -2.111 53.945 56.100 -0.074 0.000 0.917 315 R CB 1.794 32.054 30.300 -0.066 0.000 1.217 315 R HN 0.540 nan 8.270 nan 0.000 0.471 316 P HA 0.204 nan 4.420 nan 0.000 0.284 316 P C 0.014 177.141 177.300 -0.289 0.000 1.258 316 P CA -0.565 62.423 63.100 -0.186 0.000 0.824 316 P CB 0.853 32.444 31.700 -0.182 0.000 1.038 317 V N 2.898 122.629 119.914 -0.305 0.000 2.872 317 V HA -0.060 4.060 4.120 -0.000 0.000 0.307 317 V C 0.738 176.664 176.094 -0.280 0.000 1.072 317 V CA 0.391 62.476 62.300 -0.358 0.000 1.148 317 V CB -0.949 30.737 31.823 -0.228 0.000 0.954 317 V HN 0.335 nan 8.190 nan 0.000 0.490 318 F N 3.553 123.539 119.950 0.060 0.000 2.650 318 F HA 0.057 4.584 4.527 0.000 0.000 0.355 318 F C 1.141 176.901 175.800 -0.068 0.000 1.163 318 F CA 0.217 58.230 58.000 0.021 0.000 1.374 318 F CB -0.310 38.748 39.000 0.097 0.000 1.065 318 F HN 0.465 nan 8.300 nan 0.000 0.616 319 H N 2.263 121.484 119.070 0.251 0.000 2.722 319 H HA 0.156 4.712 4.556 -0.000 0.000 0.328 319 H C -2.065 173.324 175.328 0.101 0.000 1.067 319 H CA -1.587 54.534 56.048 0.123 0.000 1.447 319 H CB 0.455 30.255 29.762 0.063 0.000 1.469 319 H HN 0.179 nan 8.280 nan 0.000 0.544 320 P HA -0.069 nan 4.420 nan 0.000 0.267 320 P C 1.303 178.625 177.300 0.038 0.000 1.200 320 P CA -0.294 62.872 63.100 0.110 0.000 0.772 320 P CB 0.735 32.508 31.700 0.121 0.000 0.855 321 M N 2.219 121.852 119.600 0.055 0.000 2.113 321 M HA -0.217 4.263 4.480 -0.000 0.000 0.255 321 M C 1.905 178.258 176.300 0.088 0.000 1.073 321 M CA 2.124 57.454 55.300 0.050 0.000 1.091 321 M CB -2.029 30.521 32.600 -0.082 0.000 1.309 321 M HN 0.584 nan 8.290 nan 0.000 0.407 322 H N 0.161 119.242 119.070 0.019 0.000 2.563 322 H HA 0.054 4.610 4.556 -0.000 0.000 0.272 322 H C 1.616 176.962 175.328 0.029 0.000 1.005 322 H CA 1.123 57.180 56.048 0.015 0.000 1.171 322 H CB -0.908 28.843 29.762 -0.019 0.000 1.351 322 H HN 0.634 nan 8.280 nan 0.000 0.602 323 I N -2.786 117.522 120.570 -0.437 0.000 3.968 323 I HA 0.272 4.442 4.170 -0.000 0.000 0.328 323 I C 0.285 176.328 176.117 -0.125 0.000 1.290 323 I CA -0.326 60.799 61.300 -0.292 0.000 1.163 323 I CB 0.255 38.074 38.000 -0.303 0.000 1.024 323 I HN -0.090 nan 8.210 nan 0.000 0.413 324 M N 1.171 120.727 119.600 -0.074 0.000 2.478 324 M HA 0.433 4.913 4.480 -0.000 0.000 0.327 324 M C -1.653 174.622 176.300 -0.042 0.000 1.187 324 M CA -1.674 53.591 55.300 -0.057 0.000 1.022 324 M CB 0.851 33.425 32.600 -0.043 0.000 1.629 324 M HN -0.294 nan 8.290 nan 0.000 0.461 325 P HA -0.144 nan 4.420 nan 0.000 0.216 325 P C -1.529 175.713 177.300 -0.096 0.000 1.157 325 P CA 1.720 64.781 63.100 -0.065 0.000 0.880 325 P CB -1.165 30.490 31.700 -0.074 0.000 0.791 326 P HA -0.117 nan 4.420 nan 0.000 0.218 326 P C 0.639 177.598 177.300 -0.569 0.000 1.149 326 P CA 1.467 64.281 63.100 -0.476 0.000 0.817 326 P CB -0.321 30.938 31.700 -0.735 0.000 0.785 327 Y N -2.511 117.806 120.300 0.028 0.000 2.588 327 Y HA 0.496 5.046 4.550 -0.001 0.000 0.247 327 Y C 2.035 177.867 175.900 -0.113 0.000 1.157 327 Y CA -0.561 57.485 58.100 -0.091 0.000 1.215 327 Y CB -0.870 37.514 38.460 -0.127 0.000 1.245 327 Y HN -0.153 nan 8.280 nan 0.000 0.534 328 A N 0.415 123.292 122.820 0.095 0.000 2.024 328 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 328 A C 1.936 179.575 177.584 0.092 0.000 1.164 328 A CA 1.985 54.071 52.037 0.082 0.000 0.643 328 A CB -0.970 18.064 19.000 0.057 0.000 0.806 328 A HN 0.671 nan 8.150 nan 0.000 0.451 329 H N -0.722 118.379 119.070 0.051 0.000 2.567 329 H HA 0.103 4.659 4.556 0.000 0.000 0.276 329 H C 1.131 176.496 175.328 0.062 0.000 1.016 329 H CA 1.036 57.110 56.048 0.044 0.000 1.186 329 H CB -0.471 29.305 29.762 0.023 0.000 1.351 329 H HN 0.487 nan 8.280 nan 0.000 0.605 330 L N 0.601 121.656 121.223 -0.280 0.000 2.640 330 L HA 0.383 4.723 4.340 -0.000 0.000 0.230 330 L C 1.154 177.977 176.870 -0.078 0.000 1.123 330 L CA -0.161 54.555 54.840 -0.206 0.000 0.900 330 L CB 0.100 41.993 42.059 -0.278 0.000 1.146 330 L HN 0.151 nan 8.230 nan 0.000 0.484 331 A N 1.092 123.915 122.820 0.006 0.000 2.561 331 A HA 0.339 4.659 4.320 -0.000 0.000 0.234 331 A C 0.647 178.196 177.584 -0.058 0.000 1.055 331 A CA 0.706 52.755 52.037 0.019 0.000 0.756 331 A CB -0.018 19.071 19.000 0.148 0.000 0.986 331 A HN 0.373 nan 8.150 nan 0.000 0.505 332 T N -1.682 112.787 114.554 -0.141 0.000 2.838 332 T HA 0.534 4.884 4.350 -0.000 0.000 0.292 332 T C 0.063 174.701 174.700 -0.104 0.000 1.113 332 T CA 0.045 62.081 62.100 -0.105 0.000 1.008 332 T CB 1.541 70.338 68.868 -0.118 0.000 1.259 332 T HN 0.593 nan 8.240 nan 0.000 0.520 333 D N -0.987 119.374 120.400 -0.065 0.000 2.340 333 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 333 D C 0.271 176.540 176.300 -0.053 0.000 1.039 333 D CA 0.042 54.016 54.000 -0.043 0.000 0.866 333 D CB -0.066 40.720 40.800 -0.023 0.000 0.913 333 D HN 0.533 nan 8.370 nan 0.000 0.523 334 D N 0.017 120.367 120.400 -0.084 0.000 2.980 334 D HA 0.226 4.865 4.640 -0.000 0.000 0.333 334 D C -0.094 176.143 176.300 -0.105 0.000 1.356 334 D CA -0.254 53.701 54.000 -0.076 0.000 0.847 334 D CB -0.187 40.574 40.800 -0.065 0.000 1.122 334 D HN 0.132 nan 8.370 nan 0.000 0.475 335 L N 0.479 121.622 121.223 -0.134 0.000 3.347 335 L HA 0.283 4.623 4.340 -0.000 0.000 0.306 335 L C 1.672 178.531 176.870 -0.019 0.000 1.301 335 L CA -0.167 54.580 54.840 -0.157 0.000 0.985 335 L CB 0.613 42.368 42.059 -0.506 0.000 1.400 335 L HN -0.131 nan 8.230 nan 0.000 0.601 336 K N 0.312 120.712 120.400 -0.000 0.000 2.148 336 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 336 K C 1.738 178.370 176.600 0.052 0.000 1.050 336 K CA 1.075 57.385 56.287 0.038 0.000 0.942 336 K CB 0.233 32.743 32.500 0.018 0.000 0.724 336 K HN 0.204 nan 8.250 nan 0.000 0.446 337 I N 1.048 121.640 120.570 0.038 0.000 2.353 337 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 337 I C 2.434 178.604 176.117 0.088 0.000 1.119 337 I CA 0.943 62.269 61.300 0.043 0.000 1.417 337 I CB -1.521 36.489 38.000 0.016 0.000 1.078 337 I HN 0.043 nan 8.210 nan 0.000 0.421 338 A N 0.950 123.835 122.820 0.108 0.000 1.883 338 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 338 A C 2.255 179.944 177.584 0.175 0.000 1.186 338 A CA 1.657 53.791 52.037 0.162 0.000 0.624 338 A CB -0.664 18.445 19.000 0.183 0.000 0.822 338 A HN 0.478 nan 8.150 nan 0.000 0.444 339 E N -0.246 120.062 120.200 0.179 0.000 2.038 339 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 339 E C 2.349 179.015 176.600 0.110 0.000 1.000 339 E CA 1.119 57.608 56.400 0.150 0.000 0.803 339 E CB -0.365 29.427 29.700 0.153 0.000 0.750 339 E HN 0.616 nan 8.360 nan 0.000 0.448 340 A N 0.848 123.726 122.820 0.096 0.000 1.940 340 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 340 A C 2.429 180.071 177.584 0.095 0.000 1.176 340 A CA 1.363 53.447 52.037 0.078 0.000 0.631 340 A CB -0.839 18.195 19.000 0.056 0.000 0.814 340 A HN 0.371 nan 8.150 nan 0.000 0.446 341 C N -1.277 118.104 119.300 0.135 0.000 2.457 341 C HA 0.089 4.549 4.460 -0.000 0.000 0.278 341 C C 2.959 178.040 174.990 0.153 0.000 1.309 341 C CA 0.449 59.590 59.018 0.206 0.000 1.735 341 C CB -1.493 26.449 27.740 0.336 0.000 1.992 341 C HN 0.705 nan 8.230 nan 0.000 0.493 342 G N -0.001 108.872 108.800 0.123 0.000 2.443 342 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.219 342 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.219 342 G C 1.653 176.562 174.900 0.015 0.000 1.131 342 G CA 1.104 46.237 45.100 0.056 0.000 0.775 342 G HN 0.401 nan 8.290 nan 0.000 0.547 343 V N 2.022 121.969 119.914 0.054 0.000 2.302 343 V HA -0.073 4.047 4.120 -0.000 0.000 0.243 343 V C 2.403 178.514 176.094 0.027 0.000 1.036 343 V CA 2.298 64.625 62.300 0.044 0.000 1.020 343 V CB -0.077 31.778 31.823 0.054 0.000 0.657 343 V HN 0.640 nan 8.190 nan 0.000 0.453 344 D N -0.282 120.142 120.400 0.040 0.000 2.379 344 D HA 0.128 4.768 4.640 -0.000 0.000 0.208 344 D C 1.044 177.359 176.300 0.025 0.000 1.065 344 D CA 0.393 54.412 54.000 0.032 0.000 0.848 344 D CB -0.281 40.543 40.800 0.041 0.000 0.949 344 D HN 0.300 nan 8.370 nan 0.000 0.509 345 G N 0.680 109.496 108.800 0.025 0.000 2.378 345 G HA2 0.437 4.396 3.960 -0.000 0.000 0.255 345 G HA3 0.437 4.396 3.960 -0.000 0.000 0.255 345 G C -0.969 173.849 174.900 -0.137 0.000 1.270 345 G CA -0.299 44.784 45.100 -0.028 0.000 0.876 345 G HN 0.237 nan 8.290 nan 0.000 0.521 346 L N 2.180 123.294 121.223 -0.182 0.000 2.438 346 L HA 0.441 4.781 4.340 -0.000 0.000 0.270 346 L C -1.074 175.621 176.870 -0.292 0.000 0.972 346 L CA -0.991 53.730 54.840 -0.199 0.000 0.831 346 L CB 1.993 43.983 42.059 -0.114 0.000 1.273 346 L HN 0.385 nan 8.230 nan 0.000 0.405 347 N N 5.544 124.047 118.700 -0.329 0.000 2.419 347 N HA 0.466 5.206 4.740 -0.000 0.000 0.264 347 N C -0.773 174.604 175.510 -0.223 0.000 1.031 347 N CA -0.175 52.652 53.050 -0.371 0.000 0.951 347 N CB 1.535 39.783 38.487 -0.399 0.000 1.101 347 N HN 0.559 nan 8.380 nan 0.000 0.488 348 L N 2.761 123.868 121.223 -0.194 0.000 2.375 348 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 348 L C -1.954 174.893 176.870 -0.039 0.000 1.058 348 L CA -2.095 52.684 54.840 -0.101 0.000 0.803 348 L CB 0.863 42.809 42.059 -0.189 0.000 1.212 348 L HN 0.188 nan 8.230 nan 0.000 0.451 349 P HA -0.014 nan 4.420 nan 0.000 0.260 349 P C -1.117 176.248 177.300 0.109 0.000 1.172 349 P CA 0.428 63.581 63.100 0.087 0.000 0.760 349 P CB 0.272 32.032 31.700 0.100 0.000 0.773 350 T N 2.716 117.301 114.554 0.052 0.000 3.187 350 T HA 0.502 4.852 4.350 -0.000 0.000 0.328 350 T C -0.766 173.984 174.700 0.085 0.000 0.951 350 T CA -0.722 61.404 62.100 0.042 0.000 1.049 350 T CB 0.288 69.171 68.868 0.026 0.000 1.015 350 T HN 0.657 nan 8.240 nan 0.000 0.461 351 H N -0.305 118.806 119.070 0.067 0.000 2.967 351 H HA 0.749 5.305 4.556 -0.000 0.000 0.318 351 H C 0.709 176.093 175.328 0.093 0.000 1.375 351 H CA -0.615 55.480 56.048 0.079 0.000 1.132 351 H CB 0.496 30.295 29.762 0.062 0.000 1.848 351 H HN 0.285 nan 8.280 nan 0.000 0.524 352 A N 0.519 123.516 122.820 0.295 0.000 2.121 352 A HA 0.140 4.459 4.320 -0.000 0.000 0.218 352 A C 1.949 179.641 177.584 0.180 0.000 1.154 352 A CA 1.260 53.419 52.037 0.203 0.000 0.679 352 A CB -1.115 18.024 19.000 0.233 0.000 0.795 352 A HN 0.926 nan 8.150 nan 0.000 0.458 353 G N -0.893 108.095 108.800 0.313 0.000 3.141 353 G HA2 0.383 4.343 3.960 -0.000 0.000 0.218 353 G HA3 0.383 4.343 3.960 -0.000 0.000 0.218 353 G C 0.371 175.320 174.900 0.082 0.000 1.170 353 G CA -0.358 44.875 45.100 0.222 0.000 0.769 353 G HN 0.375 nan 8.290 nan 0.000 0.546 354 L N 2.182 123.326 121.223 -0.133 0.000 2.349 354 L HA 0.342 4.682 4.340 -0.000 0.000 0.275 354 L C 1.060 177.935 176.870 0.008 0.000 1.115 354 L CA -0.524 54.226 54.840 -0.149 0.000 0.820 354 L CB 1.186 43.078 42.059 -0.279 0.000 1.135 354 L HN 0.119 nan 8.230 nan 0.000 0.445 355 T N -2.218 112.285 114.554 -0.085 0.000 2.897 355 T HA 0.156 4.506 4.350 -0.000 0.000 0.278 355 T C 0.788 175.137 174.700 -0.584 0.000 0.981 355 T CA -0.762 61.219 62.100 -0.198 0.000 0.973 355 T CB 1.677 70.425 68.868 -0.200 0.000 1.092 355 T HN 0.699 nan 8.240 nan 0.000 0.543 356 E N 0.045 119.553 120.200 -1.153 0.000 2.204 356 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 356 E C 2.163 178.326 176.600 -0.729 0.000 0.989 356 E CA 0.947 56.446 56.400 -1.502 0.000 0.824 356 E CB -0.468 28.175 29.700 -1.763 0.000 0.756 356 E HN 0.764 nan 8.360 nan 0.000 0.477 357 A N 1.138 123.669 122.820 -0.482 0.000 1.930 357 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 357 A C 1.732 179.162 177.584 -0.256 0.000 1.175 357 A CA 1.525 53.378 52.037 -0.307 0.000 0.627 357 A CB -0.315 18.555 19.000 -0.216 0.000 0.815 357 A HN 0.238 nan 8.150 nan 0.000 0.443 358 D N 0.379 120.627 120.400 -0.253 0.000 2.087 358 D HA -0.152 4.488 4.640 -0.000 0.000 0.192 358 D C 1.839 178.003 176.300 -0.226 0.000 0.993 358 D CA 1.208 55.094 54.000 -0.189 0.000 0.828 358 D CB -0.343 40.358 40.800 -0.164 0.000 0.968 358 D HN 0.297 nan 8.370 nan 0.000 0.448 359 I N 1.608 121.976 120.570 -0.336 0.000 2.264 359 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 359 I C 1.843 177.777 176.117 -0.304 0.000 1.111 359 I CA 1.150 62.196 61.300 -0.425 0.000 1.382 359 I CB -1.050 36.610 38.000 -0.568 0.000 1.060 359 I HN -0.036 nan 8.210 nan 0.000 0.418 360 D N 0.264 120.494 120.400 -0.283 0.000 2.144 360 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 360 D C 2.394 178.618 176.300 -0.126 0.000 0.984 360 D CA 0.923 54.806 54.000 -0.196 0.000 0.834 360 D CB -0.102 40.575 40.800 -0.206 0.000 0.955 360 D HN 0.264 nan 8.370 nan 0.000 0.465 361 R N 0.151 120.578 120.500 -0.122 0.000 2.075 361 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 361 R C 2.280 178.555 176.300 -0.041 0.000 1.126 361 R CA 0.619 56.675 56.100 -0.073 0.000 0.963 361 R CB -0.073 30.186 30.300 -0.068 0.000 0.858 361 R HN 0.019 nan 8.270 nan 0.000 0.435 362 V N 1.240 121.130 119.914 -0.039 0.000 2.343 362 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 362 V C 2.282 178.406 176.094 0.049 0.000 1.051 362 V CA 1.470 63.788 62.300 0.030 0.000 1.036 362 V CB -0.382 31.503 31.823 0.104 0.000 0.654 362 V HN 0.315 nan 8.190 nan 0.000 0.451 363 I N 0.510 121.095 120.570 0.024 0.000 2.202 363 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 363 I C 2.764 178.889 176.117 0.014 0.000 1.091 363 I CA 1.823 63.145 61.300 0.037 0.000 1.368 363 I CB -1.480 36.529 38.000 0.016 0.000 1.058 363 I HN 0.317 nan 8.210 nan 0.000 0.410 364 A N 1.295 124.108 122.820 -0.011 0.000 1.865 364 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 364 A C 2.632 180.216 177.584 -0.001 0.000 1.191 364 A CA 2.367 54.397 52.037 -0.012 0.000 0.623 364 A CB -0.972 18.012 19.000 -0.027 0.000 0.826 364 A HN 0.424 nan 8.150 nan 0.000 0.444 365 A N -0.312 122.508 122.820 0.000 0.000 1.884 365 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 365 A C 2.208 179.801 177.584 0.013 0.000 1.197 365 A CA 1.869 53.910 52.037 0.006 0.000 0.637 365 A CB -0.783 18.223 19.000 0.009 0.000 0.827 365 A HN 0.507 nan 8.150 nan 0.000 0.450 366 L N -0.663 120.574 121.223 0.023 0.000 2.093 366 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 366 L C 2.441 179.324 176.870 0.021 0.000 1.085 366 L CA 1.472 56.327 54.840 0.026 0.000 0.755 366 L CB -0.572 41.511 42.059 0.040 0.000 0.904 366 L HN 0.463 nan 8.230 nan 0.000 0.435 367 D N -0.038 120.373 120.400 0.020 0.000 2.123 367 D HA -0.285 4.355 4.640 -0.000 0.000 0.196 367 D C 2.150 178.456 176.300 0.011 0.000 0.992 367 D CA 1.589 55.599 54.000 0.015 0.000 0.833 367 D CB 0.040 40.846 40.800 0.010 0.000 0.954 367 D HN 0.357 nan 8.370 nan 0.000 0.455 368 Q N -0.090 119.715 119.800 0.008 0.000 2.046 368 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 368 Q C 2.316 178.321 176.000 0.008 0.000 0.975 368 Q CA 2.059 57.866 55.803 0.006 0.000 0.836 368 Q CB -0.059 28.681 28.738 0.003 0.000 0.896 368 Q HN 0.314 nan 8.270 nan 0.000 0.428 369 V N -0.854 119.066 119.914 0.010 0.000 2.871 369 V HA 0.067 4.187 4.120 -0.000 0.000 0.256 369 V C 1.011 177.112 176.094 0.011 0.000 1.082 369 V CA 0.613 62.919 62.300 0.010 0.000 1.105 369 V CB -0.408 31.421 31.823 0.010 0.000 0.713 369 V HN 0.179 nan 8.190 nan 0.000 0.473 370 L N 2.436 123.667 121.223 0.013 0.000 2.375 370 L HA 0.472 4.811 4.340 -0.000 0.000 0.276 370 L C -0.356 176.521 176.870 0.012 0.000 1.162 370 L CA -0.191 54.657 54.840 0.013 0.000 0.991 370 L CB 0.359 42.427 42.059 0.016 0.000 1.315 370 L HN 0.102 nan 8.230 nan 0.000 0.431 371 V N 0.000 119.921 119.914 0.011 0.000 2.409 371 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 371 V CA 0.000 62.306 62.300 0.010 0.000 1.235 371 V CB 0.000 31.828 31.823 0.009 0.000 1.184 371 V HN 0.000 nan 8.190 nan 0.000 0.556