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 2qy6_1_B DATA FIRST_RESID 20 DATA SEQUENCE SLKHYSIQPA NLEFNAEGTP VSRDFDDVYF SNDNGLEETR YVFLGGNQLE DATA SEQUENCE ARFPEHPHPL FVVAESGFGT GLNFLTLWQA FDQFREAHPQ AQLQRLHFIS DATA SEQUENCE FEKFPLTRAD LALAHQHWPE LAPWAEQLQA QWPMPLPGCH RLLLDXXRVT DATA SEQUENCE LDLWFGDINE LISQLDDSLN QKVDAWFLDG FAPAKNPDMW TQNLFNAMAR DATA SEQUENCE LARPGGTLAT FTSAGFVRRG LQEAGFTMQK RKGFGRKREM LCGVME 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.446 174.600 -0.257 0.000 1.055 20 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 20 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 21 L N 3.082 124.138 121.223 -0.277 0.000 2.141 21 L HA 0.266 4.606 4.340 -0.000 0.000 0.209 21 L C 1.938 178.526 176.870 -0.469 0.000 1.094 21 L CA 2.176 56.751 54.840 -0.442 0.000 0.763 21 L CB -0.538 41.372 42.059 -0.249 0.000 0.908 21 L HN 0.223 nan 8.230 nan 0.000 0.437 22 K N -0.992 119.224 120.400 -0.306 0.000 2.057 22 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 22 K C 1.403 177.763 176.600 -0.400 0.000 1.050 22 K CA 2.094 58.168 56.287 -0.356 0.000 0.935 22 K CB -0.210 32.063 32.500 -0.378 0.000 0.715 22 K HN 0.610 nan 8.250 nan 0.000 0.439 23 H N -2.842 116.185 119.070 -0.073 0.000 3.398 23 H HA 0.207 4.763 4.556 -0.000 0.000 0.260 23 H C -0.425 174.998 175.328 0.158 0.000 1.189 23 H CA 0.019 56.096 56.048 0.049 0.000 1.145 23 H CB 0.483 30.257 29.762 0.020 0.000 1.599 23 H HN 0.020 nan 8.280 nan 0.000 0.615 24 Y N 0.216 120.579 120.300 0.105 0.000 2.831 24 Y HA -0.469 4.081 4.550 -0.000 0.000 0.469 24 Y C 2.144 178.081 175.900 0.061 0.000 1.152 24 Y CA 1.544 59.686 58.100 0.070 0.000 2.680 24 Y CB -1.359 37.138 38.460 0.061 0.000 1.183 24 Y HN 0.263 nan 8.280 nan 0.000 0.623 25 S N 1.977 117.838 115.700 0.267 0.000 2.701 25 S HA 0.318 4.788 4.470 -0.000 0.000 0.220 25 S C 0.178 174.795 174.600 0.028 0.000 0.954 25 S CA 0.493 58.766 58.200 0.122 0.000 0.936 25 S CB -1.185 62.081 63.200 0.110 0.000 0.777 25 S HN 0.519 nan 8.310 nan 0.000 0.518 26 I N -1.678 118.906 120.570 0.023 0.000 2.994 26 I HA 0.650 4.820 4.170 -0.000 0.000 0.306 26 I C -1.645 174.356 176.117 -0.193 0.000 1.195 26 I CA -1.264 59.954 61.300 -0.137 0.000 1.001 26 I CB 2.286 40.235 38.000 -0.085 0.000 1.244 26 I HN 0.174 nan 8.210 nan 0.000 0.437 27 Q N 2.647 122.233 119.800 -0.356 0.000 2.416 27 Q HA 0.663 5.003 4.340 -0.000 0.000 0.281 27 Q C -3.098 172.746 176.000 -0.260 0.000 1.067 27 Q CA -2.019 53.552 55.803 -0.386 0.000 0.809 27 Q CB 2.242 30.866 28.738 -0.189 0.000 1.418 27 Q HN 0.374 nan 8.270 nan 0.000 0.411 28 P HA 0.033 nan 4.420 nan 0.000 0.266 28 P C -0.776 176.600 177.300 0.127 0.000 1.195 28 P CA 0.247 63.315 63.100 -0.054 0.000 0.768 28 P CB 0.467 32.143 31.700 -0.039 0.000 0.838 29 A N 2.751 125.700 122.820 0.215 0.000 2.511 29 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 29 A C 0.553 178.228 177.584 0.152 0.000 1.069 29 A CA 0.142 52.334 52.037 0.258 0.000 0.763 29 A CB -0.632 18.562 19.000 0.323 0.000 1.001 29 A HN 0.546 nan 8.150 nan 0.000 0.498 30 N N 2.164 120.918 118.700 0.090 0.000 2.500 30 N HA 0.411 5.151 4.740 -0.000 0.000 0.236 30 N C -1.243 174.292 175.510 0.041 0.000 1.022 30 N CA -0.186 52.892 53.050 0.048 0.000 0.935 30 N CB 0.005 38.490 38.487 -0.004 0.000 1.147 30 N HN 0.413 nan 8.380 nan 0.000 0.512 31 L N 1.789 123.056 121.223 0.073 0.000 2.334 31 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 31 L C 0.437 177.323 176.870 0.026 0.000 1.036 31 L CA -0.410 54.447 54.840 0.029 0.000 0.807 31 L CB 1.404 43.456 42.059 -0.011 0.000 1.231 31 L HN 0.519 nan 8.230 nan 0.000 0.438 32 E N 1.275 121.441 120.200 -0.058 0.000 2.266 32 E HA 0.466 4.816 4.350 -0.000 0.000 0.268 32 E C -1.701 174.835 176.600 -0.107 0.000 0.879 32 E CA -0.581 55.826 56.400 0.012 0.000 0.762 32 E CB 1.280 30.981 29.700 0.002 0.000 1.199 32 E HN 0.333 nan 8.360 nan 0.000 0.422 33 F N 3.503 123.476 119.950 0.038 0.000 2.427 33 F HA 0.282 4.809 4.527 -0.000 0.000 0.346 33 F C 0.726 176.545 175.800 0.031 0.000 1.120 33 F CA -0.762 57.264 58.000 0.043 0.000 1.033 33 F CB 1.063 40.094 39.000 0.052 0.000 1.126 33 F HN 0.486 nan 8.300 nan 0.000 0.462 34 N N 1.992 120.776 118.700 0.140 0.000 2.476 34 N HA 0.370 5.110 4.740 -0.000 0.000 0.287 34 N C 0.908 176.477 175.510 0.098 0.000 1.262 34 N CA -0.173 52.927 53.050 0.083 0.000 0.980 34 N CB 0.111 38.614 38.487 0.026 0.000 1.163 34 N HN 0.546 nan 8.380 nan 0.000 0.592 35 A N -0.475 122.383 122.820 0.064 0.000 1.997 35 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 35 A C 1.540 179.163 177.584 0.065 0.000 1.172 35 A CA 1.710 53.781 52.037 0.056 0.000 0.645 35 A CB -0.913 18.110 19.000 0.039 0.000 0.813 35 A HN 0.827 nan 8.150 nan 0.000 0.454 36 E N -1.823 118.423 120.200 0.078 0.000 2.489 36 E HA 0.300 4.650 4.350 -0.000 0.000 0.193 36 E C 1.108 177.798 176.600 0.150 0.000 1.057 36 E CA 0.248 56.704 56.400 0.093 0.000 0.866 36 E CB -0.063 29.691 29.700 0.089 0.000 0.916 36 E HN 0.756 nan 8.360 nan 0.000 0.500 37 G N 1.733 110.641 108.800 0.181 0.000 2.143 37 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 37 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 37 G C 0.329 175.540 174.900 0.519 0.000 0.981 37 G CA 0.401 45.672 45.100 0.284 0.000 0.665 37 G HN 0.251 nan 8.290 nan 0.000 0.528 38 T N 3.081 117.808 114.554 0.288 0.000 2.869 38 T HA 0.508 4.858 4.350 -0.000 0.000 0.295 38 T C -2.060 172.525 174.700 -0.192 0.000 0.987 38 T CA -0.786 61.318 62.100 0.006 0.000 1.109 38 T CB 1.983 70.739 68.868 -0.187 0.000 0.932 38 T HN 0.183 nan 8.240 nan 0.000 0.518 39 P HA 0.192 nan 4.420 nan 0.000 0.266 39 P C -0.856 176.257 177.300 -0.312 0.000 1.215 39 P CA -0.174 62.448 63.100 -0.797 0.000 0.763 39 P CB 0.389 31.732 31.700 -0.595 0.000 0.806 40 V N 3.149 122.905 119.914 -0.262 0.000 2.459 40 V HA 0.250 4.370 4.120 -0.000 0.000 0.295 40 V C 0.815 176.891 176.094 -0.030 0.000 1.029 40 V CA -0.626 61.611 62.300 -0.105 0.000 0.874 40 V CB 1.662 33.414 31.823 -0.118 0.000 0.985 40 V HN 0.568 nan 8.190 nan 0.000 0.438 41 S N 4.675 120.325 115.700 -0.084 0.000 2.481 41 S HA 0.200 4.670 4.470 -0.000 0.000 0.276 41 S C 1.195 175.670 174.600 -0.209 0.000 1.247 41 S CA -0.455 57.663 58.200 -0.135 0.000 1.053 41 S CB 0.261 63.193 63.200 -0.446 0.000 0.925 41 S HN 0.657 nan 8.310 nan 0.000 0.491 42 R N 3.183 123.584 120.500 -0.165 0.000 2.193 42 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 42 R C 0.924 177.033 176.300 -0.319 0.000 1.055 42 R CA 0.762 56.748 56.100 -0.190 0.000 0.995 42 R CB -0.286 29.947 30.300 -0.112 0.000 0.893 42 R HN 0.723 nan 8.270 nan 0.000 0.459 43 D N -0.235 119.870 120.400 -0.492 0.000 2.144 43 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 43 D C 1.005 176.643 176.300 -1.104 0.000 0.978 43 D CA 1.237 54.700 54.000 -0.895 0.000 0.833 43 D CB 0.015 39.953 40.800 -1.437 0.000 0.961 43 D HN 0.212 nan 8.370 nan 0.000 0.470 44 F N 0.365 119.933 119.950 -0.637 0.000 2.706 44 F HA 0.129 4.656 4.527 -0.000 0.000 0.313 44 F C -0.054 175.450 175.800 -0.493 0.000 1.096 44 F CA -0.409 57.189 58.000 -0.669 0.000 1.219 44 F CB 0.359 38.642 39.000 -1.195 0.000 1.051 44 F HN -0.311 nan 8.300 nan 0.000 0.568 45 D N 1.792 122.025 120.400 -0.277 0.000 2.705 45 D HA -0.197 4.443 4.640 -0.000 0.000 0.240 45 D C -0.620 175.604 176.300 -0.126 0.000 1.137 45 D CA 1.037 54.937 54.000 -0.167 0.000 0.677 45 D CB -0.847 39.888 40.800 -0.110 0.000 1.049 45 D HN 0.322 nan 8.370 nan 0.000 0.427 46 D N -1.021 119.290 120.400 -0.148 0.000 2.717 46 D HA 0.297 4.937 4.640 -0.000 0.000 0.223 46 D C -0.221 176.078 176.300 -0.002 0.000 1.240 46 D CA -0.607 53.377 54.000 -0.026 0.000 0.801 46 D CB 2.064 42.925 40.800 0.102 0.000 1.556 46 D HN -0.069 nan 8.370 nan 0.000 0.462 47 V N 1.838 121.732 119.914 -0.033 0.000 2.788 47 V HA 0.053 4.173 4.120 -0.000 0.000 0.307 47 V C 1.194 177.232 176.094 -0.094 0.000 1.069 47 V CA 0.303 62.541 62.300 -0.103 0.000 1.173 47 V CB 0.079 31.812 31.823 -0.150 0.000 0.925 47 V HN 0.612 nan 8.190 nan 0.000 0.492 48 Y N 3.998 124.167 120.300 -0.219 0.000 2.293 48 Y HA 0.168 4.718 4.550 -0.000 0.000 0.291 48 Y C 0.922 176.734 175.900 -0.146 0.000 1.137 48 Y CA 2.009 59.993 58.100 -0.194 0.000 1.202 48 Y CB -0.027 38.360 38.460 -0.121 0.000 0.990 48 Y HN 0.842 nan 8.280 nan 0.000 0.537 49 F N -4.372 115.627 119.950 0.082 0.000 2.713 49 F HA 0.428 4.955 4.527 -0.000 0.000 0.311 49 F C -0.391 175.439 175.800 0.049 0.000 1.141 49 F CA -2.382 55.639 58.000 0.035 0.000 0.939 49 F CB 0.598 39.650 39.000 0.086 0.000 1.325 49 F HN -0.447 nan 8.300 nan 0.000 0.453 50 S N 2.026 117.920 115.700 0.322 0.000 2.506 50 S HA 0.026 4.496 4.470 -0.000 0.000 0.291 50 S C 1.091 175.987 174.600 0.494 0.000 1.230 50 S CA 0.020 58.386 58.200 0.276 0.000 1.107 50 S CB -0.289 63.018 63.200 0.178 0.000 0.942 50 S HN 0.848 nan 8.310 nan 0.000 0.502 51 N N 4.303 123.196 118.700 0.321 0.000 2.061 51 N HA -0.173 4.566 4.740 -0.000 0.000 0.193 51 N C 0.720 176.422 175.510 0.320 0.000 1.030 51 N CA 2.081 55.323 53.050 0.319 0.000 0.856 51 N CB -0.229 38.362 38.487 0.174 0.000 1.023 51 N HN 0.721 nan 8.380 nan 0.000 0.424 52 D N -0.030 120.532 120.400 0.270 0.000 2.123 52 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 52 D C 0.648 177.160 176.300 0.353 0.000 0.976 52 D CA 1.105 55.257 54.000 0.253 0.000 0.831 52 D CB -0.311 40.596 40.800 0.178 0.000 0.974 52 D HN 0.475 nan 8.370 nan 0.000 0.469 53 N N -0.694 118.205 118.700 0.333 0.000 2.197 53 N HA 0.154 4.894 4.740 -0.000 0.000 0.228 53 N C 1.533 177.015 175.510 -0.045 0.000 1.212 53 N CA -0.057 53.110 53.050 0.195 0.000 0.883 53 N CB 1.351 39.962 38.487 0.206 0.000 1.107 53 N HN -0.013 nan 8.380 nan 0.000 0.519 54 G N 1.427 110.273 108.800 0.076 0.000 2.476 54 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 54 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 54 G C 1.405 175.882 174.900 -0.705 0.000 1.164 54 G CA 0.706 45.657 45.100 -0.248 0.000 0.768 54 G HN 0.193 nan 8.290 nan 0.000 0.560 55 L N 0.475 120.971 121.223 -1.212 0.000 1.994 55 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 55 L C 2.540 179.104 176.870 -0.509 0.000 1.071 55 L CA 1.987 56.249 54.840 -0.962 0.000 0.745 55 L CB -0.610 40.822 42.059 -1.044 0.000 0.892 55 L HN 0.131 nan 8.230 nan 0.000 0.431 56 E N -0.372 119.597 120.200 -0.384 0.000 2.152 56 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 56 E C 2.057 178.326 176.600 -0.553 0.000 0.983 56 E CA 1.045 57.286 56.400 -0.264 0.000 0.818 56 E CB 0.050 29.745 29.700 -0.008 0.000 0.758 56 E HN 0.668 nan 8.360 nan 0.000 0.467 57 E N 0.249 119.859 120.200 -0.983 0.000 2.051 57 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 57 E C 1.809 178.135 176.600 -0.458 0.000 0.991 57 E CA 1.625 57.317 56.400 -1.179 0.000 0.799 57 E CB 0.131 29.243 29.700 -0.979 0.000 0.748 57 E HN 0.066 nan 8.360 nan 0.000 0.449 58 T N 0.892 115.247 114.554 -0.332 0.000 2.720 58 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 58 T C 1.801 176.427 174.700 -0.124 0.000 1.037 58 T CA 1.464 63.484 62.100 -0.132 0.000 1.144 58 T CB -0.220 68.534 68.868 -0.189 0.000 0.864 58 T HN 0.207 nan 8.240 nan 0.000 0.444 59 R N -0.304 120.095 120.500 -0.169 0.000 2.081 59 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 59 R C 2.330 178.586 176.300 -0.072 0.000 1.131 59 R CA 1.473 57.506 56.100 -0.111 0.000 0.960 59 R CB -0.604 29.640 30.300 -0.094 0.000 0.856 59 R HN 0.488 nan 8.270 nan 0.000 0.436 60 Y N 1.269 121.480 120.300 -0.149 0.000 2.145 60 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 60 Y C 2.293 178.105 175.900 -0.148 0.000 1.145 60 Y CA 1.729 59.789 58.100 -0.066 0.000 1.148 60 Y CB -0.216 38.327 38.460 0.138 0.000 0.981 60 Y HN -0.093 nan 8.280 nan 0.000 0.507 61 V N -0.826 118.962 119.914 -0.210 0.000 2.446 61 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 61 V C 1.677 177.376 176.094 -0.660 0.000 1.039 61 V CA 1.847 63.850 62.300 -0.496 0.000 1.045 61 V CB -0.654 30.846 31.823 -0.539 0.000 0.681 61 V HN 0.310 nan 8.190 nan 0.000 0.459 62 F N -0.493 119.258 119.950 -0.331 0.000 2.274 62 F HA 0.286 4.813 4.527 -0.000 0.000 0.288 62 F C 1.939 177.481 175.800 -0.430 0.000 1.069 62 F CA 1.017 58.652 58.000 -0.608 0.000 1.343 62 F CB -0.676 37.601 39.000 -1.205 0.000 1.089 62 F HN 0.140 nan 8.300 nan 0.000 0.517 63 L N 0.050 121.179 121.223 -0.157 0.000 2.023 63 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 63 L C 2.752 179.531 176.870 -0.153 0.000 1.073 63 L CA 1.979 56.762 54.840 -0.094 0.000 0.745 63 L CB -1.838 40.166 42.059 -0.092 0.000 0.900 63 L HN 0.174 nan 8.230 nan 0.000 0.435 64 G N -0.748 107.924 108.800 -0.213 0.000 2.446 64 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 64 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 64 G C 1.634 176.366 174.900 -0.282 0.000 1.168 64 G CA 0.777 45.712 45.100 -0.275 0.000 0.771 64 G HN 0.515 nan 8.290 nan 0.000 0.551 65 G N 0.182 108.790 108.800 -0.320 0.000 2.443 65 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 65 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 65 G C 1.532 176.371 174.900 -0.101 0.000 1.131 65 G CA 0.720 45.677 45.100 -0.239 0.000 0.775 65 G HN 0.424 nan 8.290 nan 0.000 0.547 66 N N 0.175 118.853 118.700 -0.036 0.000 2.280 66 N HA 0.038 4.778 4.740 -0.000 0.000 0.192 66 N C 0.348 175.860 175.510 0.003 0.000 1.109 66 N CA 0.101 53.188 53.050 0.063 0.000 0.855 66 N CB 0.278 38.900 38.487 0.225 0.000 0.974 66 N HN 0.365 nan 8.380 nan 0.000 0.482 67 Q N 0.134 119.885 119.800 -0.082 0.000 2.478 67 Q HA -0.165 4.175 4.340 -0.000 0.000 0.286 67 Q C 0.743 176.617 176.000 -0.210 0.000 1.299 67 Q CA 0.145 55.876 55.803 -0.119 0.000 0.826 67 Q CB -1.753 26.946 28.738 -0.064 0.000 1.199 67 Q HN 0.420 nan 8.270 nan 0.000 0.451 68 L N -0.587 120.444 121.223 -0.320 0.000 2.072 68 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 68 L C 2.188 178.429 176.870 -1.049 0.000 1.079 68 L CA 1.393 55.805 54.840 -0.714 0.000 0.752 68 L CB -0.252 41.379 42.059 -0.714 0.000 0.906 68 L HN 0.335 nan 8.230 nan 0.000 0.436 69 E N 0.286 120.103 120.200 -0.638 0.000 2.150 69 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 69 E C 2.276 178.695 176.600 -0.303 0.000 0.985 69 E CA 0.981 57.100 56.400 -0.468 0.000 0.814 69 E CB -0.041 29.538 29.700 -0.201 0.000 0.752 69 E HN 0.458 nan 8.360 nan 0.000 0.466 70 A N 1.346 124.026 122.820 -0.235 0.000 1.933 70 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 70 A C 2.043 179.547 177.584 -0.133 0.000 1.175 70 A CA 1.199 53.157 52.037 -0.131 0.000 0.628 70 A CB -0.253 18.697 19.000 -0.083 0.000 0.814 70 A HN 0.064 nan 8.150 nan 0.000 0.444 71 R N -1.791 118.579 120.500 -0.216 0.000 2.119 71 R HA 0.046 4.386 4.340 -0.000 0.000 0.222 71 R C 1.775 178.062 176.300 -0.022 0.000 1.088 71 R CA 0.934 56.990 56.100 -0.073 0.000 0.984 71 R CB -0.344 29.954 30.300 -0.003 0.000 0.884 71 R HN 0.458 nan 8.270 nan 0.000 0.447 72 F N 1.269 120.980 119.950 -0.399 0.000 2.065 72 F HA -0.110 4.417 4.527 0.000 0.000 0.298 72 F C -0.595 174.902 175.800 -0.505 0.000 1.112 72 F CA 0.867 58.410 58.000 -0.761 0.000 1.212 72 F CB -1.795 36.284 39.000 -1.536 0.000 0.975 72 F HN 0.006 nan 8.300 nan 0.000 0.476 73 P HA -0.084 nan 4.420 nan 0.000 0.230 73 P C 0.909 178.286 177.300 0.130 0.000 1.158 73 P CA 1.184 64.340 63.100 0.092 0.000 0.769 73 P CB 0.006 31.551 31.700 -0.259 0.000 0.807 74 E N -1.964 118.307 120.200 0.118 0.000 2.481 74 E HA 0.001 4.351 4.350 -0.000 0.000 0.198 74 E C 0.069 176.772 176.600 0.171 0.000 1.027 74 E CA -0.064 56.413 56.400 0.127 0.000 0.900 74 E CB -0.548 29.210 29.700 0.097 0.000 0.993 74 E HN 0.398 nan 8.360 nan 0.000 0.482 75 H N 3.489 122.641 119.070 0.137 0.000 3.026 75 H HA 0.043 4.599 4.556 -0.000 0.000 0.289 75 H C -1.784 173.627 175.328 0.138 0.000 1.022 75 H CA -1.422 54.750 56.048 0.207 0.000 1.477 75 H CB 0.906 30.868 29.762 0.334 0.000 1.510 75 H HN -0.160 nan 8.280 nan 0.000 0.535 76 P HA 0.110 nan 4.420 nan 0.000 0.243 76 P C -1.158 175.664 177.300 -0.796 0.000 1.668 76 P CA 0.078 62.913 63.100 -0.441 0.000 0.898 76 P CB -0.122 31.333 31.700 -0.409 0.000 1.637 77 H N -0.762 118.147 119.070 -0.268 0.000 3.046 77 H HA 0.237 4.793 4.556 -0.000 0.000 0.361 77 H C -1.987 173.422 175.328 0.134 0.000 1.235 77 H CA -1.547 54.452 56.048 -0.083 0.000 1.146 77 H CB 1.547 31.241 29.762 -0.113 0.000 1.859 77 H HN -0.249 nan 8.280 nan 0.000 0.548 78 P HA -0.053 nan 4.420 nan 0.000 0.233 78 P C -0.269 177.201 177.300 0.284 0.000 1.167 78 P CA 0.630 63.877 63.100 0.245 0.000 0.770 78 P CB 0.834 32.633 31.700 0.165 0.000 0.837 79 L N -0.721 120.682 121.223 0.299 0.000 2.365 79 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 79 L C -1.217 175.821 176.870 0.279 0.000 1.000 79 L CA -1.231 53.746 54.840 0.228 0.000 0.819 79 L CB 1.838 43.966 42.059 0.115 0.000 1.284 79 L HN -0.301 nan 8.230 nan 0.000 0.418 80 F N 4.729 124.660 119.950 -0.031 0.000 2.427 80 F HA 0.669 5.196 4.527 -0.000 0.000 0.346 80 F C -0.696 175.018 175.800 -0.144 0.000 1.120 80 F CA -0.476 57.419 58.000 -0.175 0.000 1.033 80 F CB 1.578 40.371 39.000 -0.345 0.000 1.126 80 F HN 0.198 nan 8.300 nan 0.000 0.462 81 V N 6.870 126.515 119.914 -0.449 0.000 2.357 81 V HA 0.423 4.543 4.120 -0.000 0.000 0.284 81 V C -0.578 175.276 176.094 -0.399 0.000 1.018 81 V CA -0.754 61.362 62.300 -0.307 0.000 0.841 81 V CB 1.317 32.943 31.823 -0.328 0.000 0.991 81 V HN 0.519 nan 8.190 nan 0.000 0.437 82 V N 4.097 123.838 119.914 -0.288 0.000 2.483 82 V HA 0.845 4.965 4.120 -0.000 0.000 0.295 82 V C 0.346 175.913 176.094 -0.878 0.000 1.035 82 V CA -0.452 61.523 62.300 -0.542 0.000 0.896 82 V CB 1.767 33.278 31.823 -0.520 0.000 0.986 82 V HN 0.966 nan 8.190 nan 0.000 0.447 83 A N 3.747 125.928 122.820 -1.065 0.000 2.342 83 A HA 0.817 5.137 4.320 -0.000 0.000 0.323 83 A C -0.555 176.554 177.584 -0.792 0.000 1.125 83 A CA -0.576 50.784 52.037 -1.129 0.000 0.785 83 A CB 1.324 19.319 19.000 -1.675 0.000 1.221 83 A HN 0.845 nan 8.150 nan 0.000 0.463 84 E N 1.114 121.077 120.200 -0.394 0.000 2.248 84 E HA 0.424 4.774 4.350 -0.000 0.000 0.267 84 E C 0.595 177.420 176.600 0.375 0.000 0.877 84 E CA -0.034 56.392 56.400 0.043 0.000 0.759 84 E CB 1.647 31.373 29.700 0.043 0.000 1.182 84 E HN 0.660 nan 8.360 nan 0.000 0.418 85 S N 2.120 118.032 115.700 0.354 0.000 2.446 85 S HA 0.185 4.655 4.470 -0.000 0.000 0.225 85 S C 0.795 175.562 174.600 0.278 0.000 1.016 85 S CA 0.289 58.641 58.200 0.254 0.000 0.943 85 S CB 0.335 63.535 63.200 -0.001 0.000 0.786 85 S HN 0.442 nan 8.310 nan 0.000 0.508 86 G N 0.012 108.988 108.800 0.294 0.000 2.733 86 G HA2 0.556 4.516 3.960 -0.000 0.000 0.289 86 G HA3 0.556 4.516 3.960 -0.000 0.000 0.289 86 G C -0.428 174.716 174.900 0.407 0.000 1.473 86 G CA -0.748 44.562 45.100 0.349 0.000 1.123 86 G HN 0.104 nan 8.290 nan 0.000 0.544 87 F N 3.127 123.297 119.950 0.367 0.000 2.128 87 F HA 0.251 4.778 4.527 -0.000 0.000 0.295 87 F C 2.113 178.126 175.800 0.354 0.000 1.100 87 F CA 2.569 60.799 58.000 0.383 0.000 1.260 87 F CB 0.021 39.280 39.000 0.432 0.000 1.009 87 F HN 0.877 nan 8.300 nan 0.000 0.476 88 G N -0.063 109.059 108.800 0.537 0.000 2.596 88 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.304 88 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.304 88 G C 1.002 176.049 174.900 0.245 0.000 1.189 88 G CA 1.409 46.770 45.100 0.435 0.000 0.986 88 G HN 0.804 nan 8.290 nan 0.000 0.548 89 T N -0.880 113.692 114.554 0.030 0.000 3.113 89 T HA 0.413 4.763 4.350 -0.000 0.000 0.256 89 T C 2.471 177.191 174.700 0.034 0.000 1.131 89 T CA 1.631 63.739 62.100 0.014 0.000 1.074 89 T CB 0.026 68.964 68.868 0.117 0.000 0.944 89 T HN 2.768 nan 8.240 nan 0.000 0.516 90 G N 0.881 109.396 108.800 -0.475 0.000 2.143 90 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 90 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 90 G C 0.528 175.253 174.900 -0.291 0.000 0.981 90 G CA 0.344 44.910 45.100 -0.890 0.000 0.665 90 G HN 0.561 nan 8.290 nan 0.000 0.528 91 L N 1.197 122.308 121.223 -0.186 0.000 2.012 91 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 91 L C 2.421 179.175 176.870 -0.193 0.000 1.073 91 L CA 3.095 57.813 54.840 -0.203 0.000 0.748 91 L CB -0.610 41.304 42.059 -0.240 0.000 0.891 91 L HN 0.345 nan 8.230 nan 0.000 0.431 92 N N -0.646 117.975 118.700 -0.130 0.000 2.069 92 N HA -0.260 4.480 4.740 -0.000 0.000 0.191 92 N C 1.801 177.362 175.510 0.085 0.000 1.031 92 N CA 1.874 54.925 53.050 0.001 0.000 0.852 92 N CB -0.811 37.723 38.487 0.079 0.000 1.018 92 N HN 0.493 nan 8.380 nan 0.000 0.423 93 F N 1.790 121.581 119.950 -0.265 0.000 2.095 93 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 93 F C 2.038 177.692 175.800 -0.243 0.000 1.104 93 F CA 1.152 58.794 58.000 -0.597 0.000 1.232 93 F CB -0.462 38.108 39.000 -0.717 0.000 0.987 93 F HN -0.059 nan 8.300 nan 0.000 0.475 94 L N -0.482 120.537 121.223 -0.340 0.000 2.017 94 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 94 L C 2.387 178.997 176.870 -0.435 0.000 1.073 94 L CA 1.838 56.460 54.840 -0.364 0.000 0.745 94 L CB -1.405 40.540 42.059 -0.189 0.000 0.894 94 L HN 0.161 nan 8.230 nan 0.000 0.432 95 T N 0.522 114.877 114.554 -0.331 0.000 2.665 95 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 95 T C 1.833 176.399 174.700 -0.224 0.000 1.035 95 T CA 1.763 63.682 62.100 -0.300 0.000 1.151 95 T CB -0.330 68.397 68.868 -0.236 0.000 0.862 95 T HN 0.142 nan 8.240 nan 0.000 0.438 96 L N 0.064 121.226 121.223 -0.102 0.000 2.046 96 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 96 L C 2.100 178.963 176.870 -0.011 0.000 1.077 96 L CA 1.630 56.502 54.840 0.053 0.000 0.747 96 L CB -0.810 41.398 42.059 0.249 0.000 0.896 96 L HN 0.400 nan 8.230 nan 0.000 0.432 97 W N 0.665 121.649 121.300 -0.527 0.000 2.355 97 W HA -0.235 4.425 4.660 -0.000 0.000 0.309 97 W C 2.666 178.842 176.519 -0.571 0.000 1.206 97 W CA 2.065 59.082 57.345 -0.547 0.000 1.284 97 W CB -0.926 28.015 29.460 -0.866 0.000 1.145 97 W HN 0.488 nan 8.180 nan 0.000 0.502 98 Q N 0.246 119.473 119.800 -0.955 0.000 2.045 98 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 98 Q C 2.257 178.025 176.000 -0.386 0.000 0.991 98 Q CA 2.759 57.835 55.803 -1.211 0.000 0.851 98 Q CB -0.669 27.252 28.738 -1.363 0.000 0.911 98 Q HN 0.175 nan 8.270 nan 0.000 0.418 99 A N 0.164 122.883 122.820 -0.170 0.000 1.940 99 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 99 A C 1.836 179.580 177.584 0.267 0.000 1.176 99 A CA 1.490 53.562 52.037 0.058 0.000 0.631 99 A CB -0.955 18.102 19.000 0.095 0.000 0.814 99 A HN 0.646 nan 8.150 nan 0.000 0.446 100 F N 0.970 121.011 119.950 0.152 0.000 2.163 100 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 100 F C 1.614 177.555 175.800 0.235 0.000 1.094 100 F CA 1.823 59.932 58.000 0.181 0.000 1.290 100 F CB -0.209 38.823 39.000 0.054 0.000 1.017 100 F HN 0.219 nan 8.300 nan 0.000 0.483 101 D N -0.028 120.491 120.400 0.199 0.000 2.144 101 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 101 D C 2.217 178.542 176.300 0.042 0.000 0.984 101 D CA 1.229 55.301 54.000 0.120 0.000 0.834 101 D CB -0.308 40.667 40.800 0.292 0.000 0.955 101 D HN 0.449 nan 8.370 nan 0.000 0.465 102 Q N -0.772 119.075 119.800 0.078 0.000 2.079 102 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 102 Q C 2.025 178.083 176.000 0.097 0.000 0.974 102 Q CA 0.817 56.667 55.803 0.079 0.000 0.840 102 Q CB -0.226 28.561 28.738 0.082 0.000 0.898 102 Q HN 0.362 nan 8.270 nan 0.000 0.430 103 F N 1.366 121.321 119.950 0.008 0.000 2.171 103 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 103 F C 1.931 177.697 175.800 -0.056 0.000 1.090 103 F CA 1.345 59.363 58.000 0.029 0.000 1.293 103 F CB 0.054 39.095 39.000 0.069 0.000 1.013 103 F HN -0.150 nan 8.300 nan 0.000 0.486 104 R N -0.036 120.131 120.500 -0.556 0.000 2.193 104 R HA -0.099 4.241 4.340 -0.000 0.000 0.213 104 R C 2.005 178.092 176.300 -0.354 0.000 1.055 104 R CA 1.181 56.885 56.100 -0.660 0.000 0.995 104 R CB -0.325 29.656 30.300 -0.532 0.000 0.893 104 R HN 0.341 nan 8.270 nan 0.000 0.459 105 E N 0.800 120.878 120.200 -0.204 0.000 2.072 105 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 105 E C 1.721 178.238 176.600 -0.138 0.000 0.982 105 E CA 1.246 57.572 56.400 -0.123 0.000 0.803 105 E CB 0.041 29.709 29.700 -0.053 0.000 0.755 105 E HN 0.289 nan 8.360 nan 0.000 0.453 106 A N -0.617 122.122 122.820 -0.134 0.000 2.016 106 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 106 A C 0.674 178.043 177.584 -0.359 0.000 1.162 106 A CA 0.875 52.810 52.037 -0.170 0.000 0.662 106 A CB -0.067 18.917 19.000 -0.026 0.000 0.812 106 A HN 0.293 nan 8.150 nan 0.000 0.450 107 H N -0.922 117.944 119.070 -0.340 0.000 2.439 107 H HA 0.173 4.729 4.556 -0.000 0.000 0.230 107 H C -2.146 172.939 175.328 -0.404 0.000 1.420 107 H CA -1.113 54.723 56.048 -0.352 0.000 1.305 107 H CB 0.751 30.246 29.762 -0.445 0.000 1.667 107 H HN 0.368 nan 8.280 nan 0.000 0.515 108 P HA -0.047 nan 4.420 nan 0.000 0.242 108 P C 0.584 177.834 177.300 -0.084 0.000 1.197 108 P CA 0.780 63.783 63.100 -0.163 0.000 0.765 108 P CB 0.443 32.073 31.700 -0.117 0.000 0.936 109 Q N -1.160 118.616 119.800 -0.040 0.000 2.149 109 Q HA 0.352 4.692 4.340 -0.000 0.000 0.221 109 Q C 0.516 176.550 176.000 0.056 0.000 0.807 109 Q CA -0.393 55.416 55.803 0.009 0.000 1.000 109 Q CB 0.718 29.461 28.738 0.009 0.000 1.157 109 Q HN 0.077 nan 8.270 nan 0.000 0.487 110 A N 1.017 123.884 122.820 0.079 0.000 2.520 110 A HA -0.105 4.215 4.320 -0.000 0.000 0.235 110 A C 1.068 178.754 177.584 0.170 0.000 1.065 110 A CA 0.129 52.270 52.037 0.175 0.000 0.764 110 A CB 0.399 19.586 19.000 0.311 0.000 1.002 110 A HN 0.427 nan 8.150 nan 0.000 0.502 111 Q N 0.496 120.399 119.800 0.172 0.000 2.152 111 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 111 Q C 0.564 176.700 176.000 0.226 0.000 0.985 111 Q CA 1.244 57.140 55.803 0.155 0.000 0.863 111 Q CB -0.193 28.608 28.738 0.106 0.000 0.904 111 Q HN 0.671 nan 8.270 nan 0.000 0.422 112 L N 1.563 122.986 121.223 0.333 0.000 2.433 112 L HA -0.008 4.332 4.340 -0.000 0.000 0.275 112 L C 0.180 177.285 176.870 0.392 0.000 1.128 112 L CA 0.717 55.805 54.840 0.414 0.000 0.875 112 L CB 1.013 43.329 42.059 0.429 0.000 1.171 112 L HN 0.224 nan 8.230 nan 0.000 0.463 113 Q N 4.360 124.366 119.800 0.343 0.000 2.288 113 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 113 Q C 0.060 176.320 176.000 0.434 0.000 0.835 113 Q CA 0.391 56.370 55.803 0.293 0.000 0.958 113 Q CB 1.008 29.857 28.738 0.185 0.000 1.125 113 Q HN 0.630 nan 8.270 nan 0.000 0.513 114 R N 0.155 120.909 120.500 0.423 0.000 2.795 114 R HA 0.561 4.901 4.340 -0.000 0.000 0.275 114 R C -1.443 174.838 176.300 -0.030 0.000 0.981 114 R CA -0.795 55.468 56.100 0.272 0.000 0.917 114 R CB 1.978 32.371 30.300 0.155 0.000 1.202 114 R HN -0.083 nan 8.270 nan 0.000 0.469 115 L N 1.468 122.474 121.223 -0.363 0.000 2.356 115 L HA 0.416 4.756 4.340 -0.000 0.000 0.277 115 L C -1.280 175.470 176.870 -0.201 0.000 0.996 115 L CA -0.352 54.174 54.840 -0.523 0.000 0.822 115 L CB 1.424 42.789 42.059 -1.157 0.000 1.256 115 L HN 0.630 nan 8.230 nan 0.000 0.413 116 H N 4.305 123.294 119.070 -0.135 0.000 2.638 116 H HA 0.422 4.978 4.556 -0.000 0.000 0.317 116 H C -1.703 173.603 175.328 -0.036 0.000 1.006 116 H CA -0.365 55.632 56.048 -0.084 0.000 1.222 116 H CB 0.980 30.683 29.762 -0.097 0.000 1.419 116 H HN 0.605 nan 8.280 nan 0.000 0.489 117 F N 6.420 126.271 119.950 -0.165 0.000 2.411 117 F HA 0.430 4.957 4.527 -0.000 0.000 0.352 117 F C -1.104 174.645 175.800 -0.084 0.000 1.123 117 F CA -0.767 57.181 58.000 -0.086 0.000 1.044 117 F CB 0.507 39.517 39.000 0.016 0.000 1.135 117 F HN 0.441 nan 8.300 nan 0.000 0.461 118 I N 5.308 125.729 120.570 -0.249 0.000 2.354 118 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 118 I C -0.176 175.804 176.117 -0.228 0.000 1.007 118 I CA -0.211 61.003 61.300 -0.144 0.000 1.167 118 I CB 1.411 39.336 38.000 -0.126 0.000 1.320 118 I HN 0.464 nan 8.210 nan 0.000 0.458 119 S N 5.606 121.270 115.700 -0.059 0.000 2.638 119 S HA 0.771 5.241 4.470 -0.000 0.000 0.302 119 S C -1.048 173.491 174.600 -0.102 0.000 1.096 119 S CA -0.427 57.846 58.200 0.122 0.000 0.953 119 S CB 1.086 64.639 63.200 0.588 0.000 1.107 119 S HN 0.310 nan 8.310 nan 0.000 0.503 120 F N 1.474 121.618 119.950 0.323 0.000 2.540 120 F HA 0.641 5.168 4.527 -0.000 0.000 0.317 120 F C -0.074 175.967 175.800 0.401 0.000 1.104 120 F CA -0.655 57.544 58.000 0.331 0.000 0.913 120 F CB 2.046 41.168 39.000 0.204 0.000 1.170 120 F HN 0.428 nan 8.300 nan 0.000 0.450 121 E N 2.097 122.657 120.200 0.599 0.000 2.278 121 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 121 E C -0.332 176.506 176.600 0.396 0.000 0.890 121 E CA -0.537 56.184 56.400 0.536 0.000 0.770 121 E CB 1.964 32.006 29.700 0.570 0.000 1.212 121 E HN 0.560 nan 8.360 nan 0.000 0.415 122 K N 2.900 123.520 120.400 0.368 0.000 2.211 122 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 122 K C -0.259 176.268 176.600 -0.122 0.000 1.052 122 K CA 0.528 56.906 56.287 0.151 0.000 0.973 122 K CB 0.236 32.872 32.500 0.227 0.000 0.766 122 K HN 0.423 nan 8.250 nan 0.000 0.466 123 F N 2.918 122.991 119.950 0.205 0.000 2.449 123 F HA 0.327 4.855 4.527 0.000 0.000 0.344 123 F C -2.310 173.559 175.800 0.116 0.000 1.180 123 F CA -2.531 55.549 58.000 0.133 0.000 1.209 123 F CB 1.239 40.370 39.000 0.219 0.000 1.440 123 F HN -0.081 nan 8.300 nan 0.000 0.526 124 P HA 0.044 nan 4.420 nan 0.000 0.271 124 P C -0.225 177.203 177.300 0.212 0.000 1.216 124 P CA -0.203 62.880 63.100 -0.029 0.000 0.776 124 P CB 1.403 32.546 31.700 -0.928 0.000 0.881 125 L N 2.913 124.367 121.223 0.386 0.000 2.467 125 L HA 0.161 4.500 4.340 -0.000 0.000 0.270 125 L C 1.642 178.722 176.870 0.350 0.000 1.205 125 L CA 0.689 55.687 54.840 0.262 0.000 0.828 125 L CB -0.328 41.773 42.059 0.070 0.000 1.101 125 L HN 0.484 nan 8.230 nan 0.000 0.479 126 T N -0.711 113.971 114.554 0.214 0.000 2.860 126 T HA 0.173 4.523 4.350 -0.000 0.000 0.299 126 T C 1.255 176.026 174.700 0.119 0.000 1.045 126 T CA -0.318 61.917 62.100 0.224 0.000 1.071 126 T CB 0.537 69.493 68.868 0.148 0.000 0.985 126 T HN 0.618 nan 8.240 nan 0.000 0.537 127 R N 1.142 121.747 120.500 0.174 0.000 2.091 127 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 127 R C 2.561 178.826 176.300 -0.058 0.000 1.136 127 R CA 1.668 57.770 56.100 0.004 0.000 0.959 127 R CB -1.017 29.389 30.300 0.176 0.000 0.856 127 R HN 0.862 nan 8.270 nan 0.000 0.437 128 A N 0.988 123.815 122.820 0.011 0.000 1.858 128 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 128 A C 1.730 179.299 177.584 -0.025 0.000 1.190 128 A CA 1.910 53.943 52.037 -0.006 0.000 0.617 128 A CB -0.673 18.338 19.000 0.019 0.000 0.827 128 A HN 0.377 nan 8.150 nan 0.000 0.443 129 D N -0.476 119.940 120.400 0.027 0.000 2.123 129 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 129 D C 1.841 178.149 176.300 0.013 0.000 0.992 129 D CA 1.346 55.412 54.000 0.111 0.000 0.833 129 D CB -0.449 40.450 40.800 0.165 0.000 0.954 129 D HN 0.319 nan 8.370 nan 0.000 0.455 130 L N 0.816 121.927 121.223 -0.187 0.000 2.012 130 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 130 L C 2.154 178.712 176.870 -0.520 0.000 1.073 130 L CA 1.912 56.477 54.840 -0.458 0.000 0.748 130 L CB -0.664 40.947 42.059 -0.746 0.000 0.891 130 L HN -0.010 nan 8.230 nan 0.000 0.431 131 A N -1.083 121.570 122.820 -0.279 0.000 1.933 131 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 131 A C 2.153 179.695 177.584 -0.069 0.000 1.175 131 A CA 1.776 53.730 52.037 -0.139 0.000 0.628 131 A CB -0.801 18.164 19.000 -0.058 0.000 0.814 131 A HN 0.408 nan 8.150 nan 0.000 0.444 132 L N -0.317 120.865 121.223 -0.068 0.000 1.989 132 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 132 L C 3.014 179.983 176.870 0.165 0.000 1.071 132 L CA 2.041 56.845 54.840 -0.059 0.000 0.749 132 L CB -1.001 40.887 42.059 -0.285 0.000 0.890 132 L HN 0.397 nan 8.230 nan 0.000 0.431 133 A N -1.286 121.691 122.820 0.262 0.000 1.883 133 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 133 A C 2.163 180.036 177.584 0.482 0.000 1.186 133 A CA 2.032 54.345 52.037 0.459 0.000 0.624 133 A CB -1.146 18.008 19.000 0.256 0.000 0.822 133 A HN 0.658 nan 8.150 nan 0.000 0.444 134 H N -0.751 118.459 119.070 0.234 0.000 2.489 134 H HA -0.101 4.455 4.556 -0.000 0.000 0.293 134 H C 2.118 177.519 175.328 0.122 0.000 1.066 134 H CA 0.824 56.984 56.048 0.187 0.000 1.305 134 H CB 0.001 29.838 29.762 0.125 0.000 1.386 134 H HN 0.610 nan 8.280 nan 0.000 0.551 135 Q N 0.133 120.033 119.800 0.167 0.000 2.297 135 Q HA -0.179 4.161 4.340 -0.000 0.000 0.208 135 Q C 1.509 177.411 176.000 -0.163 0.000 0.981 135 Q CA 0.901 56.696 55.803 -0.014 0.000 0.876 135 Q CB -0.031 28.651 28.738 -0.094 0.000 0.921 135 Q HN 0.770 nan 8.270 nan 0.000 0.446 136 H N -1.814 117.140 119.070 -0.193 0.000 2.489 136 H HA -0.126 4.430 4.556 -0.000 0.000 0.293 136 H C -0.069 174.660 175.328 -0.999 0.000 1.066 136 H CA 0.804 56.443 56.048 -0.682 0.000 1.305 136 H CB 0.089 29.322 29.762 -0.881 0.000 1.386 136 H HN 0.323 nan 8.280 nan 0.000 0.551 137 W N 1.790 123.137 121.300 0.079 0.000 2.319 137 W HA 0.270 4.930 4.660 -0.000 0.000 0.288 137 W C -1.808 174.721 176.519 0.016 0.000 0.959 137 W CA -2.109 55.242 57.345 0.009 0.000 1.784 137 W CB 0.688 30.106 29.460 -0.070 0.000 1.848 137 W HN -0.062 nan 8.180 nan 0.000 0.408 138 P HA -0.293 nan 4.420 nan 0.000 0.217 138 P C 1.306 178.672 177.300 0.110 0.000 1.148 138 P CA 1.983 65.132 63.100 0.081 0.000 0.828 138 P CB 0.256 31.977 31.700 0.035 0.000 0.783 139 E N 0.270 120.564 120.200 0.156 0.000 2.338 139 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 139 E C 1.713 178.455 176.600 0.238 0.000 1.007 139 E CA 0.646 57.142 56.400 0.161 0.000 0.849 139 E CB -0.668 29.121 29.700 0.148 0.000 0.774 139 E HN 0.257 nan 8.360 nan 0.000 0.506 140 L N 0.164 121.524 121.223 0.228 0.000 2.585 140 L HA 0.285 4.625 4.340 -0.000 0.000 0.226 140 L C 2.452 179.457 176.870 0.224 0.000 1.113 140 L CA 0.224 55.245 54.840 0.302 0.000 0.876 140 L CB -0.039 42.082 42.059 0.104 0.000 1.072 140 L HN 0.196 nan 8.230 nan 0.000 0.468 141 A N 1.610 124.493 122.820 0.105 0.000 1.940 141 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 141 A C -0.146 177.386 177.584 -0.086 0.000 1.190 141 A CA 2.071 54.121 52.037 0.022 0.000 0.647 141 A CB -1.745 17.259 19.000 0.008 0.000 0.821 141 A HN 0.277 nan 8.150 nan 0.000 0.457 142 P HA -0.161 nan 4.420 nan 0.000 0.215 142 P C 1.399 178.326 177.300 -0.623 0.000 1.153 142 P CA 1.315 64.092 63.100 -0.539 0.000 0.853 142 P CB -0.176 30.945 31.700 -0.966 0.000 0.788 143 W N -0.538 120.530 121.300 -0.388 0.000 2.443 143 W HA 0.149 4.809 4.660 -0.000 0.000 0.296 143 W C 2.434 178.849 176.519 -0.173 0.000 1.202 143 W CA 0.825 57.800 57.345 -0.617 0.000 1.312 143 W CB -1.393 27.546 29.460 -0.869 0.000 1.120 143 W HN -0.049 nan 8.180 nan 0.000 0.536 144 A N 1.078 123.948 122.820 0.084 0.000 1.908 144 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 144 A C 1.807 179.484 177.584 0.155 0.000 1.181 144 A CA 2.035 54.086 52.037 0.023 0.000 0.627 144 A CB -0.938 18.012 19.000 -0.083 0.000 0.818 144 A HN 0.337 nan 8.150 nan 0.000 0.445 145 E N -0.684 119.575 120.200 0.099 0.000 2.204 145 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 145 E C 2.258 178.952 176.600 0.158 0.000 0.989 145 E CA 1.105 57.572 56.400 0.111 0.000 0.824 145 E CB -0.102 29.621 29.700 0.038 0.000 0.756 145 E HN 0.745 nan 8.360 nan 0.000 0.477 146 Q N 0.065 119.981 119.800 0.193 0.000 2.096 146 Q HA -0.110 4.230 4.340 -0.000 0.000 0.197 146 Q C 2.255 178.474 176.000 0.365 0.000 0.964 146 Q CA 0.579 56.550 55.803 0.281 0.000 0.838 146 Q CB -0.022 28.948 28.738 0.387 0.000 0.906 146 Q HN 0.195 nan 8.270 nan 0.000 0.444 147 L N 1.264 122.769 121.223 0.469 0.000 1.989 147 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 147 L C 2.154 179.284 176.870 0.433 0.000 1.071 147 L CA 1.899 57.037 54.840 0.496 0.000 0.749 147 L CB -0.457 41.967 42.059 0.608 0.000 0.890 147 L HN 0.165 nan 8.230 nan 0.000 0.431 148 Q N -0.470 119.543 119.800 0.354 0.000 2.077 148 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 148 Q C 2.247 178.406 176.000 0.265 0.000 0.989 148 Q CA 1.978 57.943 55.803 0.269 0.000 0.853 148 Q CB -0.566 28.286 28.738 0.191 0.000 0.907 148 Q HN 0.720 nan 8.270 nan 0.000 0.418 149 A N 0.791 123.743 122.820 0.219 0.000 1.978 149 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 149 A C 1.636 179.323 177.584 0.171 0.000 1.170 149 A CA 1.424 53.562 52.037 0.169 0.000 0.636 149 A CB -0.164 18.920 19.000 0.139 0.000 0.810 149 A HN 0.365 nan 8.150 nan 0.000 0.448 150 Q N -1.746 118.178 119.800 0.206 0.000 2.172 150 Q HA 0.056 4.396 4.340 -0.000 0.000 0.217 150 Q C -0.373 175.724 176.000 0.161 0.000 0.832 150 Q CA -0.583 55.307 55.803 0.146 0.000 1.010 150 Q CB 0.254 29.054 28.738 0.104 0.000 1.133 150 Q HN 0.795 nan 8.270 nan 0.000 0.489 151 W N 4.547 125.872 121.300 0.042 0.000 2.381 151 W HA 0.123 4.783 4.660 -0.000 0.000 0.321 151 W C -2.443 174.069 176.519 -0.012 0.000 1.407 151 W CA -1.299 56.067 57.345 0.034 0.000 1.274 151 W CB 0.717 30.235 29.460 0.096 0.000 1.310 151 W HN 0.038 nan 8.180 nan 0.000 0.551 152 P HA 0.120 nan 4.420 nan 0.000 0.276 152 P C -0.461 176.550 177.300 -0.482 0.000 1.244 152 P CA -0.403 62.310 63.100 -0.646 0.000 0.801 152 P CB 0.814 31.859 31.700 -1.092 0.000 1.006 153 M N 2.540 121.987 119.600 -0.255 0.000 2.243 153 M HA 0.222 4.702 4.480 -0.000 0.000 0.341 153 M C -1.975 174.331 176.300 0.010 0.000 1.130 153 M CA -2.488 52.777 55.300 -0.060 0.000 1.162 153 M CB -0.239 32.359 32.600 -0.004 0.000 1.497 153 M HN 0.180 nan 8.290 nan 0.000 0.456 154 P HA 0.180 nan 4.420 nan 0.000 0.237 154 P C -1.165 176.303 177.300 0.281 0.000 1.788 154 P CA 0.269 63.450 63.100 0.135 0.000 1.061 154 P CB -0.471 31.234 31.700 0.008 0.000 1.967 155 L N 3.847 125.285 121.223 0.358 0.000 2.331 155 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 155 L C -2.151 174.976 176.870 0.428 0.000 1.022 155 L CA -2.926 52.126 54.840 0.354 0.000 0.812 155 L CB 1.914 44.128 42.059 0.259 0.000 1.257 155 L HN -0.021 nan 8.230 nan 0.000 0.435 156 P HA 0.283 nan 4.420 nan 0.000 0.269 156 P C 0.069 177.386 177.300 0.028 0.000 1.209 156 P CA 0.305 63.523 63.100 0.197 0.000 0.776 156 P CB 0.832 32.586 31.700 0.088 0.000 0.876 157 G N 0.478 109.281 108.800 0.005 0.000 2.384 157 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.204 157 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.204 157 G C -1.073 173.375 174.900 -0.752 0.000 1.237 157 G CA -0.447 44.510 45.100 -0.238 0.000 1.060 157 G HN 0.754 nan 8.290 nan 0.000 0.514 158 C N 1.945 120.527 119.300 -1.197 0.000 2.325 158 C HA 0.731 5.191 4.460 -0.000 0.000 0.347 158 C C 0.032 174.264 174.990 -1.264 0.000 1.263 158 C CA -0.694 57.352 59.018 -1.621 0.000 1.806 158 C CB -1.178 25.437 27.740 -1.875 0.000 2.405 158 C HN 0.641 nan 8.230 nan 0.000 0.537 159 H N 5.170 123.726 119.070 -0.857 0.000 2.595 159 H HA 0.291 4.847 4.556 -0.000 0.000 0.313 159 H C -0.128 174.860 175.328 -0.566 0.000 1.023 159 H CA -0.188 55.457 56.048 -0.672 0.000 1.218 159 H CB 0.903 30.194 29.762 -0.786 0.000 1.403 159 H HN 0.675 nan 8.280 nan 0.000 0.477 160 R N 3.938 124.230 120.500 -0.347 0.000 2.207 160 R HA 0.274 4.614 4.340 -0.000 0.000 0.334 160 R C -1.188 174.974 176.300 -0.230 0.000 1.013 160 R CA -0.800 55.125 56.100 -0.291 0.000 0.858 160 R CB 0.251 30.407 30.300 -0.240 0.000 1.094 160 R HN 0.262 nan 8.270 nan 0.000 0.457 161 L N 6.095 127.171 121.223 -0.245 0.000 2.272 161 L HA 0.366 4.706 4.340 -0.000 0.000 0.289 161 L C -0.436 176.331 176.870 -0.170 0.000 1.032 161 L CA -0.236 54.496 54.840 -0.181 0.000 0.810 161 L CB 1.551 43.508 42.059 -0.170 0.000 1.205 161 L HN 0.551 nan 8.230 nan 0.000 0.422 162 L N 5.545 126.702 121.223 -0.110 0.000 2.255 162 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 162 L C -0.677 176.167 176.870 -0.044 0.000 1.046 162 L CA -0.224 54.562 54.840 -0.089 0.000 0.816 162 L CB 0.575 42.600 42.059 -0.057 0.000 1.197 162 L HN 0.453 nan 8.230 nan 0.000 0.427 163 L N 2.969 124.150 121.223 -0.071 0.000 2.342 163 L HA 0.654 4.994 4.340 -0.000 0.000 0.271 163 L C -0.103 176.817 176.870 0.082 0.000 1.008 163 L CA -0.618 54.231 54.840 0.015 0.000 0.818 163 L CB 1.521 43.505 42.059 -0.126 0.000 1.296 163 L HN 0.500 nan 8.230 nan 0.000 0.427 168 V N 2.815 122.713 119.914 -0.028 0.000 2.407 168 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 168 V C -0.452 175.483 176.094 -0.264 0.000 1.018 168 V CA -0.364 61.794 62.300 -0.237 0.000 0.842 168 V CB 1.923 33.435 31.823 -0.519 0.000 0.996 168 V HN 0.109 nan 8.190 nan 0.000 0.426 169 T N 6.143 120.509 114.554 -0.314 0.000 2.807 169 T HA 0.610 4.960 4.350 -0.000 0.000 0.279 169 T C -0.778 173.628 174.700 -0.489 0.000 0.993 169 T CA -0.319 61.533 62.100 -0.413 0.000 0.970 169 T CB 1.549 70.118 68.868 -0.499 0.000 0.950 169 T HN 0.410 nan 8.240 nan 0.000 0.441 170 L N 3.613 124.586 121.223 -0.416 0.000 2.294 170 L HA 0.530 4.870 4.340 -0.000 0.000 0.283 170 L C -1.136 175.512 176.870 -0.370 0.000 1.015 170 L CA -0.477 54.109 54.840 -0.423 0.000 0.831 170 L CB 0.952 42.599 42.059 -0.688 0.000 1.217 170 L HN 0.425 nan 8.230 nan 0.000 0.420 171 D N 5.448 125.689 120.400 -0.265 0.000 2.396 171 D HA 0.251 4.891 4.640 -0.000 0.000 0.225 171 D C -0.647 175.477 176.300 -0.294 0.000 1.121 171 D CA -0.009 53.831 54.000 -0.267 0.000 0.853 171 D CB 1.529 42.286 40.800 -0.072 0.000 1.043 171 D HN 0.302 nan 8.370 nan 0.000 0.500 172 L N 4.206 125.148 121.223 -0.468 0.000 2.259 172 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 172 L C -1.320 175.233 176.870 -0.528 0.000 1.051 172 L CA -0.798 53.742 54.840 -0.500 0.000 0.824 172 L CB 0.238 41.851 42.059 -0.742 0.000 1.206 172 L HN 0.236 nan 8.230 nan 0.000 0.429 173 W N 5.508 126.523 121.300 -0.474 0.000 2.331 173 W HA 0.402 5.062 4.660 -0.000 0.000 0.306 173 W C -0.477 176.083 176.519 0.068 0.000 1.162 173 W CA -0.272 56.872 57.345 -0.335 0.000 1.232 173 W CB 0.674 29.800 29.460 -0.556 0.000 1.235 173 W HN 0.254 nan 8.180 nan 0.000 0.479 174 F N 3.084 123.148 119.950 0.190 0.000 2.411 174 F HA 0.716 5.243 4.527 0.000 0.000 0.350 174 F C 0.955 176.886 175.800 0.219 0.000 1.114 174 F CA -1.158 56.953 58.000 0.185 0.000 1.135 174 F CB 0.812 39.893 39.000 0.136 0.000 1.120 174 F HN 0.511 nan 8.300 nan 0.000 0.495 175 G N 2.670 111.705 108.800 0.391 0.000 2.359 175 G HA2 0.043 4.003 3.960 -0.000 0.000 0.303 175 G HA3 0.043 4.003 3.960 -0.000 0.000 0.303 175 G C -1.869 173.187 174.900 0.260 0.000 1.293 175 G CA -1.182 44.082 45.100 0.273 0.000 0.964 175 G HN 0.503 nan 8.290 nan 0.000 0.531 176 D N 0.088 120.591 120.400 0.172 0.000 2.325 176 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 176 D C 1.691 178.024 176.300 0.055 0.000 1.196 176 D CA -0.318 53.750 54.000 0.114 0.000 0.866 176 D CB 1.098 41.938 40.800 0.067 0.000 1.101 176 D HN 0.480 nan 8.370 nan 0.000 0.476 177 I N 4.333 124.889 120.570 -0.023 0.000 2.248 177 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 177 I C 1.582 177.494 176.117 -0.341 0.000 1.107 177 I CA 0.948 62.022 61.300 -0.376 0.000 1.373 177 I CB 0.107 37.768 38.000 -0.565 0.000 1.055 177 I HN 0.398 nan 8.210 nan 0.000 0.418 178 N N 0.657 119.234 118.700 -0.205 0.000 2.223 178 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 178 N C 1.601 177.032 175.510 -0.132 0.000 1.016 178 N CA 1.228 54.172 53.050 -0.176 0.000 0.863 178 N CB -0.115 38.296 38.487 -0.126 0.000 0.983 178 N HN 0.478 nan 8.380 nan 0.000 0.429 179 E N 0.741 120.889 120.200 -0.086 0.000 2.086 179 E HA 0.063 4.413 4.350 -0.000 0.000 0.190 179 E C 2.280 178.841 176.600 -0.064 0.000 0.975 179 E CA 0.263 56.633 56.400 -0.051 0.000 0.813 179 E CB -0.286 29.413 29.700 -0.002 0.000 0.768 179 E HN 0.350 nan 8.360 nan 0.000 0.457 180 L N 0.416 121.593 121.223 -0.075 0.000 2.179 180 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 180 L C 2.480 179.218 176.870 -0.220 0.000 1.096 180 L CA 0.203 54.992 54.840 -0.085 0.000 0.779 180 L CB -0.231 41.874 42.059 0.075 0.000 0.922 180 L HN 0.047 nan 8.230 nan 0.000 0.443 181 I N 0.247 120.636 120.570 -0.302 0.000 2.502 181 I HA -0.332 3.838 4.170 -0.000 0.000 0.258 181 I C 2.583 178.593 176.117 -0.178 0.000 1.172 181 I CA 1.489 62.607 61.300 -0.303 0.000 1.430 181 I CB 0.032 37.820 38.000 -0.353 0.000 1.086 181 I HN 0.327 nan 8.210 nan 0.000 0.440 182 S N -0.327 115.288 115.700 -0.142 0.000 2.447 182 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 182 S C 1.787 176.342 174.600 -0.076 0.000 1.006 182 S CA 0.657 58.802 58.200 -0.091 0.000 0.957 182 S CB -0.502 62.658 63.200 -0.067 0.000 0.773 182 S HN 0.568 nan 8.310 nan 0.000 0.507 183 Q N 0.539 120.275 119.800 -0.107 0.000 2.226 183 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 183 Q C 0.114 176.081 176.000 -0.055 0.000 0.975 183 Q CA 0.626 56.388 55.803 -0.068 0.000 0.866 183 Q CB -0.621 28.044 28.738 -0.121 0.000 0.915 183 Q HN 0.489 nan 8.270 nan 0.000 0.440 184 L N 3.772 124.932 121.223 -0.105 0.000 2.395 184 L HA 0.019 4.359 4.340 -0.000 0.000 0.268 184 L C 0.610 177.462 176.870 -0.031 0.000 1.223 184 L CA -0.013 54.797 54.840 -0.051 0.000 1.093 184 L CB -0.398 41.635 42.059 -0.043 0.000 1.349 184 L HN 0.095 nan 8.230 nan 0.000 0.427 185 D N -0.306 120.082 120.400 -0.020 0.000 2.348 185 D HA -0.038 4.602 4.640 -0.000 0.000 0.272 185 D C 0.494 176.782 176.300 -0.019 0.000 1.237 185 D CA -0.350 53.639 54.000 -0.020 0.000 1.042 185 D CB 0.673 41.465 40.800 -0.012 0.000 1.117 185 D HN 0.201 nan 8.370 nan 0.000 0.548 186 D N -1.070 119.318 120.400 -0.019 0.000 2.310 186 D HA -0.109 4.531 4.640 -0.000 0.000 0.212 186 D C 1.954 178.240 176.300 -0.023 0.000 0.965 186 D CA 1.085 55.073 54.000 -0.020 0.000 0.879 186 D CB -0.098 40.691 40.800 -0.019 0.000 0.921 186 D HN 0.458 nan 8.370 nan 0.000 0.510 187 S N 0.010 115.695 115.700 -0.024 0.000 2.428 187 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 187 S C 1.806 176.382 174.600 -0.041 0.000 1.014 187 S CA 0.319 58.501 58.200 -0.029 0.000 0.957 187 S CB -0.160 63.024 63.200 -0.027 0.000 0.784 187 S HN 0.095 nan 8.310 nan 0.000 0.499 188 L N 1.628 122.827 121.223 -0.040 0.000 2.592 188 L HA 0.331 4.671 4.340 -0.000 0.000 0.227 188 L C 0.014 176.860 176.870 -0.040 0.000 1.127 188 L CA -0.104 54.704 54.840 -0.053 0.000 0.884 188 L CB -0.784 41.243 42.059 -0.053 0.000 1.065 188 L HN 0.114 nan 8.230 nan 0.000 0.457 189 N N 1.310 119.994 118.700 -0.028 0.000 2.356 189 N HA -0.027 4.713 4.740 -0.000 0.000 0.252 189 N C 0.354 175.846 175.510 -0.031 0.000 1.241 189 N CA 0.326 53.364 53.050 -0.019 0.000 0.861 189 N CB 0.114 38.588 38.487 -0.021 0.000 1.075 189 N HN 0.125 nan 8.380 nan 0.000 0.461 190 Q N -0.488 119.300 119.800 -0.019 0.000 2.461 190 Q HA -0.238 4.102 4.340 -0.000 0.000 0.273 190 Q C 0.034 175.992 176.000 -0.071 0.000 1.163 190 Q CA 0.830 56.613 55.803 -0.033 0.000 0.929 190 Q CB -0.536 28.180 28.738 -0.036 0.000 1.334 190 Q HN 0.460 nan 8.270 nan 0.000 0.499 191 K N -0.777 119.571 120.400 -0.087 0.000 2.373 191 K HA 0.201 4.521 4.320 -0.000 0.000 0.200 191 K C 0.044 176.516 176.600 -0.212 0.000 1.054 191 K CA 0.231 56.426 56.287 -0.152 0.000 1.065 191 K CB 1.131 33.541 32.500 -0.150 0.000 0.886 191 K HN 0.072 nan 8.250 nan 0.000 0.546 192 V N 3.290 123.094 119.914 -0.183 0.000 2.406 192 V HA 0.072 4.192 4.120 -0.000 0.000 0.272 192 V C 0.884 176.805 176.094 -0.289 0.000 1.043 192 V CA -0.134 61.979 62.300 -0.311 0.000 0.915 192 V CB 1.405 32.975 31.823 -0.421 0.000 0.988 192 V HN 0.139 nan 8.190 nan 0.000 0.466 193 D N 3.429 123.547 120.400 -0.469 0.000 2.213 193 D HA 0.153 4.793 4.640 -0.000 0.000 0.205 193 D C 0.673 176.847 176.300 -0.209 0.000 0.961 193 D CA 1.054 54.767 54.000 -0.479 0.000 0.853 193 D CB 0.754 40.789 40.800 -1.275 0.000 0.967 193 D HN 0.629 nan 8.370 nan 0.000 0.496 194 A N 0.038 122.736 122.820 -0.203 0.000 2.486 194 A HA 0.493 4.813 4.320 -0.000 0.000 0.300 194 A C -1.949 175.559 177.584 -0.127 0.000 1.048 194 A CA -0.655 51.411 52.037 0.049 0.000 0.696 194 A CB 1.172 20.349 19.000 0.294 0.000 1.278 194 A HN 0.062 nan 8.150 nan 0.000 0.405 195 W N 1.601 122.957 121.300 0.092 0.000 2.376 195 W HA 0.613 5.273 4.660 -0.000 0.000 0.312 195 W C -0.882 175.826 176.519 0.315 0.000 1.060 195 W CA -0.294 57.096 57.345 0.075 0.000 1.221 195 W CB 1.364 30.835 29.460 0.018 0.000 1.281 195 W HN 0.476 nan 8.180 nan 0.000 0.456 196 F N 5.655 125.757 119.950 0.254 0.000 2.377 196 F HA 0.189 4.716 4.527 0.000 0.000 0.360 196 F C 0.222 176.163 175.800 0.235 0.000 1.147 196 F CA -1.538 56.584 58.000 0.203 0.000 1.170 196 F CB -0.090 38.791 39.000 -0.199 0.000 1.339 196 F HN -0.020 nan 8.300 nan 0.000 0.552 197 L N 4.529 126.060 121.223 0.513 0.000 2.462 197 L HA 0.276 4.616 4.340 -0.000 0.000 0.283 197 L C -0.390 176.695 176.870 0.357 0.000 1.166 197 L CA 0.383 55.383 54.840 0.267 0.000 0.964 197 L CB -0.876 41.251 42.059 0.114 0.000 1.294 197 L HN 0.424 nan 8.230 nan 0.000 0.449 198 D N 2.286 122.835 120.400 0.250 0.000 2.523 198 D HA 0.877 5.517 4.640 -0.000 0.000 0.236 198 D C -0.056 176.413 176.300 0.280 0.000 1.094 198 D CA 0.514 54.755 54.000 0.401 0.000 0.942 198 D CB 2.236 43.043 40.800 0.012 0.000 1.447 198 D HN 0.621 nan 8.370 nan 0.000 0.479 199 G N -0.292 108.730 108.800 0.371 0.000 2.334 199 G HA2 0.122 4.082 3.960 -0.000 0.000 0.249 199 G HA3 0.122 4.082 3.960 -0.000 0.000 0.249 199 G C -1.311 173.634 174.900 0.076 0.000 1.327 199 G CA -0.914 44.267 45.100 0.135 0.000 0.979 199 G HN 0.302 nan 8.290 nan 0.000 0.471 200 F N 2.051 122.087 119.950 0.143 0.000 2.418 200 F HA 0.599 5.126 4.527 -0.000 0.000 0.341 200 F C 1.396 177.465 175.800 0.449 0.000 1.120 200 F CA 0.534 58.594 58.000 0.101 0.000 1.232 200 F CB 1.117 39.984 39.000 -0.222 0.000 1.175 200 F HN 0.735 nan 8.300 nan 0.000 0.569 201 A N 3.881 127.029 122.820 0.546 0.000 2.507 201 A HA 0.146 4.466 4.320 -0.000 0.000 0.235 201 A C -1.556 176.134 177.584 0.176 0.000 1.070 201 A CA -0.945 51.374 52.037 0.470 0.000 0.768 201 A CB -0.392 18.797 19.000 0.316 0.000 1.011 201 A HN 0.629 nan 8.150 nan 0.000 0.502 202 P HA -0.207 nan 4.420 nan 0.000 0.217 202 P C 1.429 178.728 177.300 -0.002 0.000 1.148 202 P CA 2.329 65.166 63.100 -0.438 0.000 0.834 202 P CB 0.095 31.433 31.700 -0.602 0.000 0.783 203 A N -0.888 121.945 122.820 0.022 0.000 2.066 203 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 203 A C 2.044 179.683 177.584 0.090 0.000 1.157 203 A CA 1.322 53.394 52.037 0.059 0.000 0.670 203 A CB -0.562 18.466 19.000 0.046 0.000 0.804 203 A HN 0.081 nan 8.150 nan 0.000 0.453 204 K N -1.001 119.474 120.400 0.125 0.000 2.276 204 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 204 K C 0.343 177.041 176.600 0.162 0.000 1.052 204 K CA 0.494 56.856 56.287 0.125 0.000 0.984 204 K CB 0.100 32.671 32.500 0.118 0.000 0.836 204 K HN 0.547 nan 8.250 nan 0.000 0.490 205 N N 1.359 120.163 118.700 0.173 0.000 2.752 205 N HA 0.113 4.853 4.740 -0.000 0.000 0.260 205 N C -2.257 173.465 175.510 0.353 0.000 1.562 205 N CA -1.314 51.833 53.050 0.161 0.000 0.788 205 N CB 1.165 39.496 38.487 -0.260 0.000 1.192 205 N HN -0.219 nan 8.380 nan 0.000 0.503 206 P HA -0.091 nan 4.420 nan 0.000 0.220 206 P C 0.439 177.925 177.300 0.311 0.000 1.148 206 P CA 1.063 64.349 63.100 0.310 0.000 0.803 206 P CB 0.359 32.152 31.700 0.156 0.000 0.782 207 D N -1.137 119.404 120.400 0.235 0.000 2.310 207 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 207 D C 1.845 178.209 176.300 0.108 0.000 0.965 207 D CA 0.712 54.806 54.000 0.156 0.000 0.879 207 D CB -0.448 40.442 40.800 0.151 0.000 0.921 207 D HN 0.201 nan 8.370 nan 0.000 0.510 208 M N -0.918 118.752 119.600 0.118 0.000 2.200 208 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 208 M C 0.042 176.196 176.300 -0.243 0.000 1.066 208 M CA 0.921 56.144 55.300 -0.128 0.000 1.127 208 M CB 0.146 32.566 32.600 -0.301 0.000 1.379 208 M HN -0.058 nan 8.290 nan 0.000 0.420 209 W N 1.990 123.305 121.300 0.025 0.000 1.611 209 W HA 0.216 4.876 4.660 0.000 0.000 0.395 209 W C 0.452 176.874 176.519 -0.162 0.000 0.698 209 W CA -0.450 56.916 57.345 0.035 0.000 1.845 209 W CB -0.569 29.080 29.460 0.314 0.000 1.818 209 W HN 0.103 nan 8.180 nan 0.000 0.270 210 T N -2.902 111.414 114.554 -0.395 0.000 2.950 210 T HA 0.221 4.571 4.350 -0.000 0.000 0.288 210 T C 0.929 175.126 174.700 -0.839 0.000 1.035 210 T CA -0.598 61.257 62.100 -0.408 0.000 1.028 210 T CB 2.098 70.817 68.868 -0.249 0.000 1.109 210 T HN 0.081 nan 8.240 nan 0.000 0.514 211 Q N 1.033 120.588 119.800 -0.409 0.000 2.124 211 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 211 Q C 2.074 177.946 176.000 -0.213 0.000 0.977 211 Q CA 2.211 57.876 55.803 -0.231 0.000 0.850 211 Q CB -0.824 27.910 28.738 -0.007 0.000 0.901 211 Q HN 0.862 nan 8.270 nan 0.000 0.429 212 N N -0.715 117.859 118.700 -0.210 0.000 2.094 212 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 212 N C 1.452 176.833 175.510 -0.215 0.000 1.023 212 N CA 1.579 54.528 53.050 -0.168 0.000 0.857 212 N CB -0.384 38.012 38.487 -0.153 0.000 1.013 212 N HN 0.350 nan 8.380 nan 0.000 0.426 213 L N -0.598 120.421 121.223 -0.340 0.000 2.044 213 L HA 0.071 4.410 4.340 -0.000 0.000 0.205 213 L C 1.663 178.395 176.870 -0.229 0.000 1.075 213 L CA 1.533 56.162 54.840 -0.351 0.000 0.747 213 L CB -1.053 40.742 42.059 -0.440 0.000 0.903 213 L HN 0.071 nan 8.230 nan 0.000 0.435 214 F N 0.565 120.423 119.950 -0.155 0.000 2.091 214 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 214 F C 2.444 178.194 175.800 -0.084 0.000 1.103 214 F CA 1.253 59.185 58.000 -0.114 0.000 1.228 214 F CB -1.795 37.194 39.000 -0.019 0.000 0.984 214 F HN 0.253 nan 8.300 nan 0.000 0.477 215 N N 0.189 118.937 118.700 0.081 0.000 2.244 215 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 215 N C 2.026 177.515 175.510 -0.035 0.000 1.016 215 N CA 1.314 54.375 53.050 0.018 0.000 0.866 215 N CB -0.615 37.867 38.487 -0.009 0.000 0.980 215 N HN 0.286 nan 8.380 nan 0.000 0.430 216 A N 1.005 123.775 122.820 -0.083 0.000 1.929 216 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 216 A C 2.247 179.778 177.584 -0.089 0.000 1.176 216 A CA 0.894 52.875 52.037 -0.093 0.000 0.628 216 A CB -0.368 18.547 19.000 -0.141 0.000 0.816 216 A HN 0.166 nan 8.150 nan 0.000 0.444 217 M N -0.296 119.150 119.600 -0.257 0.000 2.117 217 M HA -0.145 4.334 4.480 -0.000 0.000 0.262 217 M C 2.497 178.808 176.300 0.018 0.000 1.065 217 M CA 1.542 56.550 55.300 -0.487 0.000 1.114 217 M CB -0.485 31.484 32.600 -1.052 0.000 1.361 217 M HN 0.448 nan 8.290 nan 0.000 0.408 218 A N 0.712 123.549 122.820 0.028 0.000 1.930 218 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 218 A C 2.204 179.706 177.584 -0.137 0.000 1.175 218 A CA 1.793 53.687 52.037 -0.239 0.000 0.627 218 A CB -0.771 18.026 19.000 -0.339 0.000 0.815 218 A HN 0.545 nan 8.150 nan 0.000 0.443 219 R N -0.226 120.245 120.500 -0.050 0.000 2.096 219 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 219 R C 1.569 177.886 176.300 0.028 0.000 1.127 219 R CA 1.644 57.729 56.100 -0.024 0.000 0.968 219 R CB -0.365 29.922 30.300 -0.022 0.000 0.861 219 R HN 0.475 nan 8.270 nan 0.000 0.440 220 L N 0.912 122.209 121.223 0.123 0.000 2.375 220 L HA 0.227 4.567 4.340 -0.000 0.000 0.215 220 L C 0.993 177.985 176.870 0.205 0.000 1.108 220 L CA 0.010 54.960 54.840 0.184 0.000 0.830 220 L CB -0.143 42.121 42.059 0.341 0.000 0.959 220 L HN 0.178 nan 8.230 nan 0.000 0.457 221 A N 1.182 124.175 122.820 0.289 0.000 2.520 221 A HA 0.089 4.409 4.320 -0.000 0.000 0.245 221 A C 0.468 178.094 177.584 0.070 0.000 1.072 221 A CA -0.007 52.180 52.037 0.250 0.000 0.761 221 A CB -0.070 19.127 19.000 0.328 0.000 1.004 221 A HN 0.265 nan 8.150 nan 0.000 0.499 222 R N 2.803 123.319 120.500 0.026 0.000 2.537 222 R HA 0.167 4.507 4.340 -0.000 0.000 0.280 222 R C -2.433 173.878 176.300 0.018 0.000 1.058 222 R CA -1.342 54.751 56.100 -0.012 0.000 1.057 222 R CB 0.160 30.425 30.300 -0.058 0.000 0.973 222 R HN 0.406 nan 8.270 nan 0.000 0.438 223 P HA -0.084 nan 4.420 nan 0.000 0.261 223 P C 0.254 177.581 177.300 0.045 0.000 1.173 223 P CA 1.356 64.464 63.100 0.013 0.000 0.760 223 P CB 0.532 32.236 31.700 0.007 0.000 0.783 224 G N 2.104 110.940 108.800 0.059 0.000 2.184 224 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.264 224 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.264 224 G C 0.678 175.649 174.900 0.118 0.000 0.975 224 G CA -0.030 45.122 45.100 0.086 0.000 0.642 224 G HN 0.896 nan 8.290 nan 0.000 0.536 225 G N -0.125 108.747 108.800 0.120 0.000 2.527 225 G HA2 0.642 4.602 3.960 -0.000 0.000 0.248 225 G HA3 0.642 4.602 3.960 -0.000 0.000 0.248 225 G C 0.402 175.447 174.900 0.241 0.000 1.231 225 G CA 1.091 46.281 45.100 0.151 0.000 0.838 225 G HN 1.367 nan 8.290 nan 0.000 0.570 226 T N -1.784 112.915 114.554 0.242 0.000 2.910 226 T HA 0.734 5.084 4.350 -0.000 0.000 0.287 226 T C -0.553 174.295 174.700 0.247 0.000 1.050 226 T CA -0.894 61.348 62.100 0.238 0.000 1.011 226 T CB 1.908 70.881 68.868 0.176 0.000 1.195 226 T HN 0.803 nan 8.240 nan 0.000 0.540 227 L N 0.153 121.440 121.223 0.107 0.000 2.472 227 L HA 0.826 5.166 4.340 -0.000 0.000 0.260 227 L C -1.449 175.432 176.870 0.018 0.000 0.963 227 L CA -0.802 54.070 54.840 0.052 0.000 0.829 227 L CB 1.752 43.602 42.059 -0.347 0.000 1.348 227 L HN 1.168 nan 8.230 nan 0.000 0.408 228 A N 2.282 125.178 122.820 0.127 0.000 2.413 228 A HA 0.877 5.197 4.320 -0.000 0.000 0.307 228 A C -0.863 176.760 177.584 0.065 0.000 1.087 228 A CA -0.382 51.662 52.037 0.012 0.000 0.750 228 A CB 2.159 21.121 19.000 -0.063 0.000 1.296 228 A HN 0.673 nan 8.150 nan 0.000 0.423 229 T N -0.294 114.196 114.554 -0.108 0.000 2.868 229 T HA 0.491 4.841 4.350 -0.000 0.000 0.306 229 T C 0.171 174.715 174.700 -0.260 0.000 1.224 229 T CA -0.068 61.967 62.100 -0.109 0.000 1.012 229 T CB 0.634 69.446 68.868 -0.093 0.000 1.221 229 T HN 1.158 nan 8.240 nan 0.000 0.499 230 F N 1.229 121.137 119.950 -0.069 0.000 2.558 230 F HA 0.346 4.873 4.527 -0.000 0.000 0.298 230 F C 1.061 176.827 175.800 -0.056 0.000 1.119 230 F CA -0.130 57.818 58.000 -0.088 0.000 1.451 230 F CB -0.794 38.194 39.000 -0.021 0.000 1.091 230 F HN 0.454 nan 8.300 nan 0.000 0.563 231 T N 0.598 114.765 114.554 -0.645 0.000 2.913 231 T HA 0.411 4.761 4.350 -0.000 0.000 0.287 231 T C 0.705 175.223 174.700 -0.304 0.000 1.008 231 T CA -0.025 61.812 62.100 -0.440 0.000 1.067 231 T CB 0.924 69.340 68.868 -0.754 0.000 0.996 231 T HN 0.346 nan 8.240 nan 0.000 0.513 232 S N 2.313 117.882 115.700 -0.218 0.000 2.809 232 S HA 0.525 4.995 4.470 -0.000 0.000 0.248 232 S C 0.544 175.020 174.600 -0.206 0.000 1.071 232 S CA -0.387 57.695 58.200 -0.197 0.000 1.059 232 S CB -0.125 63.004 63.200 -0.117 0.000 0.923 232 S HN 0.981 nan 8.310 nan 0.000 0.516 233 A N 1.045 123.691 122.820 -0.290 0.000 2.580 233 A HA 0.481 4.801 4.320 -0.000 0.000 0.244 233 A C 1.612 179.043 177.584 -0.255 0.000 1.045 233 A CA 0.355 52.228 52.037 -0.272 0.000 0.761 233 A CB -0.476 18.247 19.000 -0.463 0.000 0.962 233 A HN 0.750 nan 8.150 nan 0.000 0.512 234 G N 2.187 110.941 108.800 -0.076 0.000 2.440 234 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 234 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 234 G C 1.179 176.072 174.900 -0.012 0.000 1.154 234 G CA 1.521 46.602 45.100 -0.033 0.000 0.767 234 G HN 1.150 nan 8.290 nan 0.000 0.552 235 F N 0.978 120.913 119.950 -0.024 0.000 2.234 235 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 235 F C 2.305 178.129 175.800 0.040 0.000 1.087 235 F CA 0.814 58.829 58.000 0.025 0.000 1.340 235 F CB -0.769 38.264 39.000 0.056 0.000 1.031 235 F HN -0.012 nan 8.300 nan 0.000 0.500 236 V N 1.563 120.940 119.914 -0.895 0.000 2.255 236 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 236 V C 2.833 178.619 176.094 -0.513 0.000 1.051 236 V CA 2.467 64.337 62.300 -0.717 0.000 1.018 236 V CB -0.952 30.428 31.823 -0.738 0.000 0.641 236 V HN 0.462 nan 8.190 nan 0.000 0.445 237 R N 0.005 120.297 120.500 -0.346 0.000 2.070 237 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 237 R C 2.606 178.807 176.300 -0.165 0.000 1.137 237 R CA 1.751 57.707 56.100 -0.240 0.000 0.945 237 R CB -0.251 29.951 30.300 -0.163 0.000 0.845 237 R HN 0.416 nan 8.270 nan 0.000 0.430 238 R N -0.634 119.816 120.500 -0.083 0.000 2.091 238 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 238 R C 2.354 178.664 176.300 0.016 0.000 1.136 238 R CA 1.496 57.592 56.100 -0.007 0.000 0.959 238 R CB -0.551 29.780 30.300 0.052 0.000 0.856 238 R HN 0.444 nan 8.270 nan 0.000 0.437 239 G N 0.803 109.622 108.800 0.032 0.000 2.403 239 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 239 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 239 G C 1.443 176.339 174.900 -0.008 0.000 1.154 239 G CA 0.202 45.403 45.100 0.169 0.000 0.784 239 G HN 0.125 nan 8.290 nan 0.000 0.538 240 L N -0.316 120.691 121.223 -0.360 0.000 2.141 240 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 240 L C 3.064 179.962 176.870 0.047 0.000 1.094 240 L CA 0.879 55.585 54.840 -0.224 0.000 0.763 240 L CB -0.275 41.538 42.059 -0.410 0.000 0.908 240 L HN 0.259 nan 8.230 nan 0.000 0.437 241 Q N -0.270 119.529 119.800 -0.002 0.000 2.016 241 Q HA -0.255 4.085 4.340 -0.000 0.000 0.200 241 Q C 2.151 178.172 176.000 0.035 0.000 0.978 241 Q CA 1.653 57.474 55.803 0.030 0.000 0.833 241 Q CB -0.075 28.666 28.738 0.006 0.000 0.895 241 Q HN 0.399 nan 8.270 nan 0.000 0.427 242 E N 0.140 120.366 120.200 0.043 0.000 2.114 242 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 242 E C 1.715 178.343 176.600 0.046 0.000 1.008 242 E CA 1.228 57.658 56.400 0.051 0.000 0.810 242 E CB -0.100 29.648 29.700 0.080 0.000 0.739 242 E HN 0.379 nan 8.360 nan 0.000 0.456 243 A N -0.499 122.366 122.820 0.076 0.000 2.067 243 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 243 A C 1.895 179.444 177.584 -0.059 0.000 1.158 243 A CA 1.592 53.662 52.037 0.055 0.000 0.661 243 A CB -0.182 18.913 19.000 0.159 0.000 0.801 243 A HN 0.552 nan 8.150 nan 0.000 0.452 244 G N -3.200 105.560 108.800 -0.067 0.000 2.318 244 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.172 244 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.172 244 G C -0.040 174.726 174.900 -0.223 0.000 1.002 244 G CA -0.266 44.733 45.100 -0.169 0.000 0.697 244 G HN 0.220 nan 8.290 nan 0.000 0.483 245 F N 2.254 122.179 119.950 -0.040 0.000 2.389 245 F HA 0.541 5.068 4.527 -0.000 0.000 0.337 245 F C 1.081 176.858 175.800 -0.038 0.000 1.112 245 F CA 0.260 58.237 58.000 -0.038 0.000 1.192 245 F CB 1.369 40.331 39.000 -0.063 0.000 1.185 245 F HN -0.125 nan 8.300 nan 0.000 0.552 246 T N 5.502 120.158 114.554 0.169 0.000 2.747 246 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 246 T C 0.155 174.902 174.700 0.079 0.000 0.952 246 T CA -0.539 61.614 62.100 0.090 0.000 0.983 246 T CB -0.014 68.887 68.868 0.056 0.000 0.930 246 T HN 0.196 nan 8.240 nan 0.000 0.494 247 M N 3.141 122.763 119.600 0.037 0.000 2.478 247 M HA 0.550 5.030 4.480 -0.000 0.000 0.327 247 M C -0.090 176.196 176.300 -0.023 0.000 1.187 247 M CA -0.874 54.420 55.300 -0.011 0.000 1.022 247 M CB 1.433 34.001 32.600 -0.053 0.000 1.629 247 M HN 0.537 nan 8.290 nan 0.000 0.461 248 Q N 1.735 121.509 119.800 -0.042 0.000 2.309 248 Q HA 0.423 4.763 4.340 -0.000 0.000 0.273 248 Q C -1.506 174.461 176.000 -0.054 0.000 1.040 248 Q CA -0.742 55.039 55.803 -0.038 0.000 0.834 248 Q CB 1.922 30.645 28.738 -0.025 0.000 1.345 248 Q HN 0.620 nan 8.270 nan 0.000 0.414 249 K N 2.272 122.644 120.400 -0.046 0.000 2.202 249 K HA 0.602 4.922 4.320 -0.000 0.000 0.264 249 K C -0.597 175.982 176.600 -0.035 0.000 1.010 249 K CA -0.734 55.526 56.287 -0.046 0.000 0.940 249 K CB 1.418 33.896 32.500 -0.038 0.000 0.983 249 K HN 0.621 nan 8.250 nan 0.000 0.475 250 R N 1.534 122.018 120.500 -0.027 0.000 2.584 250 R HA 0.155 4.495 4.340 -0.000 0.000 0.276 250 R C -1.175 175.147 176.300 0.036 0.000 1.046 250 R CA -0.871 55.225 56.100 -0.007 0.000 0.906 250 R CB 1.777 32.050 30.300 -0.046 0.000 1.215 250 R HN 0.834 nan 8.270 nan 0.000 0.449 251 K N 1.717 122.157 120.400 0.068 0.000 2.518 251 K HA 0.063 4.383 4.320 -0.000 0.000 0.276 251 K C 0.056 176.757 176.600 0.169 0.000 0.974 251 K CA 0.616 56.951 56.287 0.081 0.000 0.986 251 K CB 0.468 33.005 32.500 0.061 0.000 0.901 251 K HN 0.752 nan 8.250 nan 0.000 0.497 252 G N 2.387 111.249 108.800 0.103 0.000 2.621 252 G HA2 0.112 4.072 3.960 -0.000 0.000 0.271 252 G HA3 0.112 4.072 3.960 -0.000 0.000 0.271 252 G C -0.874 174.015 174.900 -0.018 0.000 1.236 252 G CA -0.734 44.454 45.100 0.148 0.000 0.958 252 G HN 0.606 nan 8.290 nan 0.000 0.512 253 F N 0.886 120.701 119.950 -0.225 0.000 2.538 253 F HA 0.423 4.950 4.527 -0.000 0.000 0.371 253 F C 1.248 176.866 175.800 -0.304 0.000 1.087 253 F CA 1.287 58.961 58.000 -0.543 0.000 1.250 253 F CB 0.396 39.212 39.000 -0.308 0.000 1.110 253 F HN 1.130 nan 8.300 nan 0.000 0.570 254 G N 6.330 114.470 108.800 -1.100 0.000 2.561 254 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.289 254 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.289 254 G C 0.968 175.654 174.900 -0.357 0.000 1.169 254 G CA 0.374 45.018 45.100 -0.760 0.000 0.980 254 G HN 0.748 nan 8.290 nan 0.000 0.550 255 R N 0.998 121.376 120.500 -0.203 0.000 2.297 255 R HA 0.128 4.468 4.340 -0.000 0.000 0.197 255 R C 0.854 177.111 176.300 -0.071 0.000 0.943 255 R CA 0.408 56.438 56.100 -0.116 0.000 1.038 255 R CB 0.025 30.280 30.300 -0.075 0.000 0.957 255 R HN 0.426 nan 8.270 nan 0.000 0.484 256 K N 1.296 121.664 120.400 -0.054 0.000 2.485 256 K HA -0.052 4.268 4.320 -0.000 0.000 0.277 256 K C 1.007 177.597 176.600 -0.017 0.000 0.990 256 K CA 0.238 56.520 56.287 -0.008 0.000 0.994 256 K CB 0.681 33.206 32.500 0.042 0.000 0.906 256 K HN -0.013 nan 8.250 nan 0.000 0.488 257 R N 1.434 121.933 120.500 -0.003 0.000 2.237 257 R HA 0.039 4.379 4.340 -0.000 0.000 0.195 257 R C -0.208 176.094 176.300 0.002 0.000 0.956 257 R CA 0.716 56.810 56.100 -0.009 0.000 1.029 257 R CB 0.604 30.898 30.300 -0.010 0.000 0.972 257 R HN 0.676 nan 8.270 nan 0.000 0.493 258 E N 0.247 120.455 120.200 0.013 0.000 2.381 258 E HA 0.216 4.566 4.350 -0.000 0.000 0.286 258 E C -1.471 175.133 176.600 0.008 0.000 0.960 258 E CA -0.575 55.828 56.400 0.004 0.000 0.793 258 E CB 1.352 31.042 29.700 -0.017 0.000 1.225 258 E HN 0.181 nan 8.360 nan 0.000 0.420 259 M N 1.775 121.372 119.600 -0.005 0.000 2.744 259 M HA 0.637 5.117 4.480 -0.000 0.000 0.283 259 M C -1.593 174.654 176.300 -0.089 0.000 1.275 259 M CA -1.054 54.220 55.300 -0.043 0.000 0.796 259 M CB 1.741 34.330 32.600 -0.017 0.000 1.739 259 M HN 0.292 nan 8.290 nan 0.000 0.454 260 L N 1.576 122.717 121.223 -0.137 0.000 2.365 260 L HA 0.828 5.168 4.340 -0.000 0.000 0.273 260 L C -0.916 175.865 176.870 -0.149 0.000 1.000 260 L CA -0.676 54.076 54.840 -0.147 0.000 0.819 260 L CB 2.022 43.967 42.059 -0.190 0.000 1.284 260 L HN 1.075 nan 8.230 nan 0.000 0.418 261 C N 0.284 119.509 119.300 -0.125 0.000 3.154 261 C HA 1.068 5.528 4.460 -0.000 0.000 0.312 261 C C 0.127 175.063 174.990 -0.091 0.000 1.349 261 C CA -0.660 58.289 59.018 -0.115 0.000 1.518 261 C CB 1.110 28.791 27.740 -0.100 0.000 1.934 261 C HN 0.963 nan 8.230 nan 0.000 0.462 262 G N -0.533 108.223 108.800 -0.075 0.000 2.649 262 G HA2 0.720 4.680 3.960 -0.000 0.000 0.290 262 G HA3 0.720 4.680 3.960 -0.000 0.000 0.290 262 G C -2.033 172.929 174.900 0.104 0.000 1.426 262 G CA -0.542 44.556 45.100 -0.003 0.000 0.794 262 G HN 1.315 nan 8.290 nan 0.000 0.483 263 V N 0.468 120.515 119.914 0.222 0.000 2.760 263 V HA 0.533 4.653 4.120 -0.000 0.000 0.309 263 V C -0.432 175.841 176.094 0.297 0.000 1.077 263 V CA -0.741 61.708 62.300 0.248 0.000 0.910 263 V CB 1.915 33.818 31.823 0.133 0.000 1.008 263 V HN 0.864 nan 8.190 nan 0.000 0.424 264 M N 4.133 123.882 119.600 0.248 0.000 2.193 264 M HA 0.366 4.846 4.480 -0.000 0.000 0.342 264 M C 0.100 176.406 176.300 0.009 0.000 1.413 264 M CA 0.525 55.824 55.300 -0.002 0.000 1.191 264 M CB -0.400 32.134 32.600 -0.111 0.000 1.633 264 M HN 0.727 nan 8.290 nan 0.000 0.458 265 E N 0.000 120.195 120.200 -0.009 0.000 2.725 265 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 265 E CA 0.000 56.401 56.400 0.002 0.000 0.976 265 E CB 0.000 29.704 29.700 0.007 0.000 0.812 265 E HN 0.000 nan 8.360 nan 0.000 0.440