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 1kmm_1_B DATA FIRST_RESID 2 DATA SEQUENCE AKNIQAIRGM NDYLPGETAI WQRIEGTLKN VLGSYGYSEI RLPIVEQTPL DATA SEQUENCE FKRAIGEVTD VVEKEMYTFE DRNGDSLTLR PEGTAGCVRA GIEHGLLYNQ DATA SEQUENCE EQRLWYIGPM FRHERPQKGR YRQFHQLGCE VFGLQGPDID AELIMLTARW DATA SEQUENCE WRALGISEHV TLELNSIGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXLDE ESREHFAGLC KLLESAGIAY DATA SEQUENCE TVNQRLVRGL DYYNRTVFEW VTNSLGSQGT VCAGGRYDGL VEQLGGRATP DATA SEQUENCE AVGFAMGLER LVLLVQAVNP EFKADPVVDI YLVASGADTQ SAAMALAERL DATA SEQUENCE RDELPGVKLM TNHGGGNFKK QFARADKWGA RVAVVLGESE VANGTAVVKD DATA SEQUENCE LRSGEQTAVA QDSVAAHLRT LLG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.001 0.000 0.831 3 K N -0.092 120.309 120.400 0.001 0.000 2.499 3 K HA 0.301 nan 4.320 nan 0.000 0.277 3 K C -1.414 175.187 176.600 0.001 0.000 1.025 3 K CA -0.708 55.580 56.287 0.001 0.000 0.900 3 K CB 2.526 35.027 32.500 0.001 0.000 1.494 3 K HN 0.304 8.554 8.250 0.001 0.000 0.442 4 N N 0.588 119.289 118.700 0.001 0.000 2.372 4 N HA 0.289 nan 4.740 nan 0.000 0.291 4 N C -0.992 174.519 175.510 0.001 0.000 1.024 4 N CA -0.426 52.625 53.050 0.001 0.000 0.873 4 N CB 1.181 39.668 38.487 0.001 0.000 1.206 4 N HN 0.105 8.486 8.380 0.002 0.000 0.486 5 I N 1.862 122.433 120.570 0.001 0.000 2.359 5 I HA 0.135 nan 4.170 nan 0.000 0.294 5 I C -0.291 175.827 176.117 0.001 0.000 0.987 5 I CA -0.281 61.020 61.300 0.001 0.000 1.225 5 I CB 0.707 38.707 38.000 0.000 0.000 1.366 5 I HN 0.170 8.380 8.210 0.000 0.000 0.466 6 Q N 5.663 125.465 119.800 0.003 0.000 2.194 6 Q HA 0.173 nan 4.340 nan 0.000 0.245 6 Q C -0.960 175.041 176.000 0.003 0.000 0.993 6 Q CA -1.199 54.606 55.803 0.002 0.000 0.930 6 Q CB 1.150 29.891 28.738 0.005 0.000 1.238 6 Q HN 0.258 8.531 8.270 0.005 0.000 0.486 7 A N 1.092 123.912 122.820 -0.000 0.000 2.371 7 A HA 0.083 nan 4.320 nan 0.000 0.257 7 A C 0.137 177.730 177.584 0.015 0.000 1.089 7 A CA -0.403 51.634 52.037 0.000 0.000 0.794 7 A CB 0.516 19.506 19.000 -0.016 0.000 1.029 7 A HN 0.132 8.280 8.150 -0.003 0.000 0.488 8 I N 0.975 121.561 120.570 0.026 0.000 2.821 8 I HA -0.144 nan 4.170 nan 0.000 0.294 8 I C 0.495 176.643 176.117 0.052 0.000 1.210 8 I CA -1.753 59.576 61.300 0.049 0.000 1.430 8 I CB -0.190 37.853 38.000 0.072 0.000 1.356 8 I HN 0.181 8.403 8.210 0.020 0.000 0.563 9 R N 7.149 127.680 120.500 0.052 0.000 2.583 9 R HA -0.217 nan 4.340 nan 0.000 0.274 9 R C 0.468 176.805 176.300 0.063 0.000 0.998 9 R CA 1.090 57.218 56.100 0.047 0.000 1.081 9 R CB -0.233 30.087 30.300 0.035 0.000 0.940 9 R HN 0.173 8.474 8.270 0.052 0.000 0.413 10 G N 0.725 109.571 108.800 0.076 0.000 2.176 10 G HA2 -0.329 nan 3.960 nan 0.000 0.253 10 G HA3 -0.329 nan 3.960 nan 0.000 0.253 10 G C -0.792 174.206 174.900 0.163 0.000 0.979 10 G CA 0.090 45.263 45.100 0.122 0.000 0.641 10 G HN 0.412 8.745 8.290 0.071 0.000 0.530 11 M N 0.572 120.227 119.600 0.092 0.000 2.243 11 M HA 0.212 nan 4.480 nan 0.000 0.324 11 M C -1.627 174.649 176.300 -0.040 0.000 1.031 11 M CA -0.599 54.724 55.300 0.038 0.000 0.949 11 M CB 1.242 33.859 32.600 0.029 0.000 1.615 11 M HN -0.506 7.763 8.290 0.070 0.063 0.430 12 N N 3.407 122.019 118.700 -0.148 0.000 2.430 12 N HA 0.159 nan 4.740 nan 0.000 0.298 12 N C -1.494 173.685 175.510 -0.551 0.000 1.130 12 N CA -0.647 52.179 53.050 -0.373 0.000 0.894 12 N CB 1.597 39.726 38.487 -0.597 0.000 1.209 12 N HN 0.148 8.460 8.380 -0.113 0.000 0.503 13 D N 0.561 120.652 120.400 -0.515 0.000 2.168 13 D HA 0.118 nan 4.640 nan 0.000 0.246 13 D C -0.999 174.955 176.300 -0.578 0.000 1.050 13 D CA -0.164 53.592 54.000 -0.407 0.000 0.857 13 D CB 1.542 42.228 40.800 -0.190 0.000 1.169 13 D HN 0.190 8.317 8.370 -0.405 0.000 0.453 14 Y N 0.694 120.902 120.300 -0.153 0.000 2.402 14 Y HA 0.037 nan 4.550 nan 0.000 0.332 14 Y C -0.455 175.379 175.900 -0.111 0.000 0.960 14 Y CA -0.821 57.167 58.100 -0.186 0.000 1.228 14 Y CB 0.461 38.671 38.460 -0.417 0.000 1.120 14 Y HN 0.003 8.208 8.280 -0.125 0.000 0.491 15 L N 3.730 124.980 121.223 0.045 0.000 2.474 15 L HA 0.087 nan 4.340 nan 0.000 0.259 15 L C 0.211 177.121 176.870 0.067 0.000 1.232 15 L CA -2.229 52.637 54.840 0.042 0.000 0.821 15 L CB -1.662 40.417 42.059 0.035 0.000 1.108 15 L HN 0.356 8.608 8.230 0.036 0.000 0.495 16 P HA -0.244 nan 4.420 nan 0.000 0.215 16 P C 1.669 179.026 177.300 0.095 0.000 1.163 16 P CA 3.020 66.172 63.100 0.085 0.000 0.894 16 P CB -0.008 31.757 31.700 0.107 0.000 0.791 17 G N -4.955 103.900 108.800 0.091 0.000 2.442 17 G HA2 -0.209 nan 3.960 nan 0.000 0.219 17 G HA3 -0.209 nan 3.960 nan 0.000 0.219 17 G C 1.873 176.844 174.900 0.118 0.000 1.141 17 G CA 1.789 46.945 45.100 0.094 0.000 0.763 17 G HN 0.170 8.509 8.290 0.081 0.000 0.554 18 E N 0.350 120.633 120.200 0.139 0.000 2.216 18 E HA -0.029 nan 4.350 nan 0.000 0.192 18 E C 2.230 178.995 176.600 0.275 0.000 0.988 18 E CA 1.676 58.203 56.400 0.213 0.000 0.834 18 E CB -0.031 29.815 29.700 0.243 0.000 0.772 18 E HN -0.523 7.893 8.360 0.120 0.016 0.479 19 T N -2.489 112.160 114.554 0.158 0.000 2.951 19 T HA -0.124 nan 4.350 nan 0.000 0.268 19 T C 1.579 176.383 174.700 0.173 0.000 1.073 19 T CA 3.445 65.611 62.100 0.111 0.000 1.134 19 T CB -0.796 68.077 68.868 0.010 0.000 0.884 19 T HN -0.226 8.086 8.240 0.120 0.000 0.479 20 A N 1.906 124.811 122.820 0.143 0.000 1.908 20 A HA -0.282 nan 4.320 nan 0.000 0.218 20 A C 1.745 179.411 177.584 0.137 0.000 1.181 20 A CA 3.180 55.286 52.037 0.116 0.000 0.627 20 A CB -0.833 18.222 19.000 0.092 0.000 0.818 20 A HN -0.470 7.740 8.150 0.131 0.018 0.445 21 I N -2.715 117.962 120.570 0.178 0.000 2.252 21 I HA -0.343 nan 4.170 nan 0.000 0.245 21 I C 1.313 177.522 176.117 0.154 0.000 1.102 21 I CA 2.628 64.035 61.300 0.178 0.000 1.385 21 I CB -0.385 37.710 38.000 0.159 0.000 1.064 21 I HN -0.869 7.452 8.210 0.197 0.007 0.414 22 W N -1.037 120.255 121.300 -0.013 0.000 2.338 22 W HA -0.464 nan 4.660 nan 0.000 0.304 22 W C 2.358 178.844 176.519 -0.055 0.000 1.212 22 W CA 5.116 62.412 57.345 -0.081 0.000 1.264 22 W CB -0.593 28.762 29.460 -0.174 0.000 1.142 22 W HN -0.734 7.644 8.180 0.454 0.075 0.512 23 Q N -2.337 117.590 119.800 0.212 0.000 2.124 23 Q HA -0.423 nan 4.340 nan 0.000 0.202 23 Q C 2.539 178.590 176.000 0.086 0.000 0.977 23 Q CA 3.731 59.606 55.803 0.120 0.000 0.850 23 Q CB -0.503 28.289 28.738 0.090 0.000 0.901 23 Q HN 0.283 8.692 8.270 0.232 0.000 0.429 24 R N -0.125 120.437 120.500 0.103 0.000 2.062 24 R HA -0.214 nan 4.340 nan 0.000 0.231 24 R C 2.537 178.913 176.300 0.125 0.000 1.136 24 R CA 2.613 58.781 56.100 0.115 0.000 0.948 24 R CB -0.927 29.460 30.300 0.145 0.000 0.845 24 R HN -0.739 7.514 8.270 0.124 0.092 0.430 25 I N -0.242 120.385 120.570 0.095 0.000 2.163 25 I HA -0.583 nan 4.170 nan 0.000 0.243 25 I C 1.891 177.929 176.117 -0.131 0.000 1.085 25 I CA 4.048 65.302 61.300 -0.076 0.000 1.347 25 I CB -0.513 37.329 38.000 -0.263 0.000 1.044 25 I HN -0.001 8.281 8.210 0.118 0.000 0.408 26 E N -0.622 119.528 120.200 -0.083 0.000 2.038 26 E HA -0.392 nan 4.350 nan 0.000 0.195 26 E C 2.683 179.229 176.600 -0.089 0.000 1.000 26 E CA 3.473 59.823 56.400 -0.084 0.000 0.803 26 E CB -0.413 29.300 29.700 0.022 0.000 0.750 26 E HN 0.237 8.579 8.360 -0.030 0.000 0.448 27 G N -1.768 107.015 108.800 -0.028 0.000 2.469 27 G HA2 -0.387 nan 3.960 nan 0.000 0.220 27 G HA3 -0.387 nan 3.960 nan 0.000 0.220 27 G C 1.357 176.232 174.900 -0.041 0.000 1.136 27 G CA 2.328 47.415 45.100 -0.021 0.000 0.759 27 G HN -0.240 8.053 8.290 0.004 0.000 0.562 28 T N 5.592 120.122 114.554 -0.039 0.000 2.674 28 T HA -0.296 nan 4.350 nan 0.000 0.265 28 T C 2.208 176.862 174.700 -0.076 0.000 1.039 28 T CA 5.092 67.175 62.100 -0.028 0.000 1.150 28 T CB -0.530 68.339 68.868 0.000 0.000 0.864 28 T HN -0.504 7.708 8.240 -0.027 0.012 0.427 29 L N 0.535 121.621 121.223 -0.227 0.000 1.989 29 L HA -0.551 nan 4.340 nan 0.000 0.211 29 L C 1.842 178.622 176.870 -0.150 0.000 1.071 29 L CA 3.626 58.234 54.840 -0.386 0.000 0.749 29 L CB -0.693 40.923 42.059 -0.738 0.000 0.890 29 L HN -0.099 7.921 8.230 -0.243 0.064 0.431 30 K N -2.385 117.857 120.400 -0.262 0.000 2.103 30 K HA -0.439 nan 4.320 nan 0.000 0.207 30 K C 2.587 179.066 176.600 -0.201 0.000 1.048 30 K CA 3.518 59.577 56.287 -0.381 0.000 0.930 30 K CB -0.509 31.825 32.500 -0.277 0.000 0.716 30 K HN 0.284 8.390 8.250 -0.239 0.000 0.444 31 N N -0.267 118.386 118.700 -0.079 0.000 2.142 31 N HA -0.243 nan 4.740 nan 0.000 0.186 31 N C 2.092 177.610 175.510 0.014 0.000 1.023 31 N CA 3.384 56.425 53.050 -0.015 0.000 0.852 31 N CB 0.444 38.934 38.487 0.006 0.000 0.998 31 N HN -0.280 7.949 8.380 -0.075 0.106 0.424 32 V N 0.777 120.726 119.914 0.058 0.000 2.427 32 V HA -0.354 nan 4.120 nan 0.000 0.248 32 V C 2.121 178.237 176.094 0.037 0.000 1.051 32 V CA 3.879 66.234 62.300 0.091 0.000 1.048 32 V CB -0.714 31.205 31.823 0.159 0.000 0.666 32 V HN -0.223 8.010 8.190 0.073 0.000 0.456 33 L N -2.270 118.917 121.223 -0.060 0.000 2.083 33 L HA -0.360 nan 4.340 nan 0.000 0.209 33 L C 2.082 178.936 176.870 -0.028 0.000 1.083 33 L CA 3.144 57.854 54.840 -0.216 0.000 0.752 33 L CB -0.539 41.226 42.059 -0.490 0.000 0.899 33 L HN 0.082 8.226 8.230 -0.019 0.075 0.433 34 G N -3.154 105.644 108.800 -0.004 0.000 2.432 34 G HA2 -0.334 nan 3.960 nan 0.000 0.219 34 G HA3 -0.334 nan 3.960 nan 0.000 0.219 34 G C 1.615 176.587 174.900 0.120 0.000 1.135 34 G CA 2.052 47.209 45.100 0.095 0.000 0.767 34 G HN -0.084 8.075 8.290 -0.066 0.092 0.550 35 S N 1.306 117.064 115.700 0.097 0.000 2.481 35 S HA -0.177 nan 4.470 nan 0.000 0.231 35 S C 0.395 175.014 174.600 0.032 0.000 0.996 35 S CA 2.528 60.756 58.200 0.046 0.000 0.942 35 S CB 0.045 63.237 63.200 -0.013 0.000 0.768 35 S HN -0.336 7.907 8.310 0.086 0.119 0.520 36 Y N -0.287 119.999 120.300 -0.024 0.000 2.457 36 Y HA 0.003 nan 4.550 nan 0.000 0.263 36 Y C -0.519 175.545 175.900 0.273 0.000 1.164 36 Y CA -0.078 58.040 58.100 0.030 0.000 1.274 36 Y CB 0.126 38.462 38.460 -0.207 0.000 1.097 36 Y HN -0.747 7.571 8.280 0.316 0.152 0.523 37 G N -2.285 106.747 108.800 0.388 0.000 2.141 37 G HA2 -0.394 nan 3.960 nan 0.000 0.242 37 G HA3 -0.394 nan 3.960 nan 0.000 0.242 37 G C -0.140 174.993 174.900 0.389 0.000 0.982 37 G CA 0.079 45.376 45.100 0.329 0.000 0.662 37 G HN -0.693 7.597 8.290 0.294 0.176 0.527 38 Y N 0.768 121.194 120.300 0.209 0.000 2.377 38 Y HA -0.082 nan 4.550 nan 0.000 0.330 38 Y C -0.453 175.693 175.900 0.409 0.000 1.108 38 Y CA -0.341 57.934 58.100 0.291 0.000 1.308 38 Y CB 0.084 38.737 38.460 0.322 0.000 1.216 38 Y HN -0.916 7.789 8.280 0.776 0.040 0.518 39 S N 3.364 119.282 115.700 0.363 0.000 2.565 39 S HA 0.229 nan 4.470 nan 0.000 0.290 39 S C -1.378 173.195 174.600 -0.045 0.000 1.150 39 S CA -1.115 57.231 58.200 0.243 0.000 1.058 39 S CB 1.726 64.990 63.200 0.106 0.000 1.032 39 S HN 0.534 8.964 8.310 0.199 0.000 0.510 40 E N 3.408 123.475 120.200 -0.222 0.000 2.331 40 E HA 0.393 nan 4.350 nan 0.000 0.272 40 E C -1.114 175.249 176.600 -0.395 0.000 1.036 40 E CA -0.309 55.612 56.400 -0.799 0.000 0.864 40 E CB 1.155 30.385 29.700 -0.782 0.000 1.035 40 E HN 0.200 8.583 8.360 0.039 0.000 0.408 41 I N 4.636 124.979 120.570 -0.379 0.000 2.569 41 I HA 0.176 nan 4.170 nan 0.000 0.290 41 I C -1.964 174.074 176.117 -0.132 0.000 1.088 41 I CA -1.230 59.969 61.300 -0.167 0.000 1.047 41 I CB 2.152 40.116 38.000 -0.061 0.000 1.237 41 I HN 0.002 7.885 8.210 -0.545 0.000 0.421 42 R N 7.230 127.668 120.500 -0.104 0.000 2.338 42 R HA 0.288 nan 4.340 nan 0.000 0.317 42 R C -0.587 175.678 176.300 -0.059 0.000 0.968 42 R CA -0.701 55.359 56.100 -0.067 0.000 0.849 42 R CB 1.067 31.336 30.300 -0.052 0.000 1.128 42 R HN 0.086 8.293 8.270 -0.105 0.000 0.448 43 L N 4.366 125.553 121.223 -0.060 0.000 2.341 43 L HA 0.570 nan 4.340 nan 0.000 0.267 43 L C -1.893 174.962 176.870 -0.025 0.000 1.009 43 L CA -3.201 51.604 54.840 -0.058 0.000 0.819 43 L CB 1.140 43.131 42.059 -0.114 0.000 1.323 43 L HN 0.250 8.446 8.230 -0.057 0.000 0.425 44 P HA -0.031 nan 4.420 nan 0.000 0.266 44 P C 0.135 177.460 177.300 0.042 0.000 1.195 44 P CA 0.027 63.139 63.100 0.020 0.000 0.768 44 P CB 0.571 32.284 31.700 0.022 0.000 0.838 45 I N 1.727 122.329 120.570 0.053 0.000 2.439 45 I HA -0.158 nan 4.170 nan 0.000 0.251 45 I C -0.270 175.890 176.117 0.072 0.000 1.139 45 I CA 2.036 63.381 61.300 0.075 0.000 1.438 45 I CB -0.075 37.961 38.000 0.060 0.000 1.085 45 I HN -0.092 8.144 8.210 0.043 0.000 0.427 46 V N -1.479 118.476 119.914 0.068 0.000 2.513 46 V HA 0.335 nan 4.120 nan 0.000 0.299 46 V C -0.890 175.269 176.094 0.108 0.000 1.035 46 V CA -1.378 60.977 62.300 0.093 0.000 0.889 46 V CB 0.679 32.552 31.823 0.084 0.000 0.988 46 V HN -0.601 7.602 8.190 0.055 0.021 0.440 47 E N 3.330 123.642 120.200 0.187 0.000 2.423 47 E HA 0.417 nan 4.350 nan 0.000 0.269 47 E C -1.605 175.050 176.600 0.092 0.000 0.948 47 E CA -2.628 53.838 56.400 0.111 0.000 0.802 47 E CB 4.169 33.899 29.700 0.050 0.000 1.339 47 E HN 0.305 8.832 8.360 0.279 0.000 0.445 48 Q N -0.503 119.284 119.800 -0.022 0.000 2.314 48 Q HA 0.127 nan 4.340 nan 0.000 0.258 48 Q C 1.582 177.593 176.000 0.018 0.000 0.954 48 Q CA 0.641 56.425 55.803 -0.032 0.000 0.890 48 Q CB 0.820 29.515 28.738 -0.072 0.000 1.210 48 Q HN 0.400 8.624 8.270 -0.077 0.000 0.410 49 T N 6.541 121.132 114.554 0.061 0.000 2.699 49 T HA -0.244 nan 4.350 nan 0.000 0.268 49 T C -0.016 174.736 174.700 0.087 0.000 1.036 49 T CA 6.227 68.414 62.100 0.144 0.000 1.147 49 T CB -2.333 66.576 68.868 0.069 0.000 0.862 49 T HN 0.341 8.583 8.240 0.002 0.000 0.446 50 P HA -0.124 nan 4.420 nan 0.000 0.221 50 P C 1.005 178.260 177.300 -0.075 0.000 1.145 50 P CA 2.219 65.305 63.100 -0.024 0.000 0.795 50 P CB -0.614 31.060 31.700 -0.043 0.000 0.775 51 L N -1.050 120.061 121.223 -0.187 0.000 2.017 51 L HA -0.300 nan 4.340 nan 0.000 0.208 51 L C 1.576 178.229 176.870 -0.362 0.000 1.073 51 L CA 3.433 58.053 54.840 -0.367 0.000 0.745 51 L CB -0.472 41.203 42.059 -0.640 0.000 0.894 51 L HN -0.054 7.935 8.230 -0.174 0.137 0.432 52 F N -3.127 116.828 119.950 0.007 0.000 2.367 52 F HA -0.304 nan 4.527 nan 0.000 0.298 52 F C 2.319 178.136 175.800 0.028 0.000 1.094 52 F CA 3.265 61.282 58.000 0.029 0.000 1.409 52 F CB -0.679 38.345 39.000 0.040 0.000 1.064 52 F HN -0.707 7.455 8.300 -0.230 0.000 0.528 53 K N 0.082 120.570 120.400 0.147 0.000 2.007 53 K HA -0.296 nan 4.320 nan 0.000 0.206 53 K C 2.426 179.057 176.600 0.052 0.000 1.047 53 K CA 3.444 59.785 56.287 0.091 0.000 0.937 53 K CB -0.250 32.285 32.500 0.060 0.000 0.718 53 K HN -0.288 7.922 8.250 0.122 0.113 0.438 54 R N -1.699 118.809 120.500 0.014 0.000 2.091 54 R HA -0.300 nan 4.340 nan 0.000 0.238 54 R C 1.712 178.022 176.300 0.017 0.000 1.136 54 R CA 2.605 58.705 56.100 -0.001 0.000 0.959 54 R CB -0.053 30.226 30.300 -0.035 0.000 0.856 54 R HN 0.266 8.422 8.270 -0.003 0.113 0.437 55 A N -2.140 120.692 122.820 0.021 0.000 1.844 55 A HA -0.029 nan 4.320 nan 0.000 0.212 55 A C 1.082 178.779 177.584 0.188 0.000 1.221 55 A CA 1.588 53.670 52.037 0.075 0.000 0.607 55 A CB 0.391 19.399 19.000 0.013 0.000 0.878 55 A HN -0.102 8.044 8.150 -0.007 0.000 0.451 56 I N -3.659 117.019 120.570 0.181 0.000 2.361 56 I HA -0.288 nan 4.170 nan 0.000 0.251 56 I C -0.267 175.863 176.117 0.022 0.000 1.133 56 I CA 1.634 62.998 61.300 0.106 0.000 1.413 56 I CB 0.480 38.562 38.000 0.138 0.000 1.073 56 I HN -0.716 7.599 8.210 0.174 0.000 0.424 57 G N -3.728 105.101 108.800 0.049 0.000 2.770 57 G HA2 -0.289 nan 3.960 nan 0.000 0.686 57 G HA3 -0.289 nan 3.960 nan 0.000 0.686 57 G C -0.667 174.252 174.900 0.032 0.000 1.180 57 G CA -0.724 44.392 45.100 0.027 0.000 0.767 57 G HN -0.754 7.557 8.290 0.073 0.022 0.646 58 E N 1.904 122.120 120.200 0.026 0.000 2.230 58 E HA -0.063 nan 4.350 nan 0.000 0.192 58 E C 0.348 176.960 176.600 0.020 0.000 0.987 58 E CA 1.852 58.267 56.400 0.026 0.000 0.841 58 E CB 0.128 29.841 29.700 0.021 0.000 0.783 58 E HN 0.416 8.790 8.360 0.023 0.000 0.481 59 V N -1.568 118.355 119.914 0.015 0.000 3.415 59 V HA 0.181 nan 4.120 nan 0.000 0.325 59 V C -0.811 175.290 176.094 0.011 0.000 1.313 59 V CA -0.875 61.432 62.300 0.012 0.000 1.228 59 V CB -0.558 31.270 31.823 0.010 0.000 1.131 59 V HN 0.003 8.201 8.190 0.013 0.000 0.433 60 T N -1.723 112.839 114.554 0.013 0.000 2.909 60 T HA 0.237 nan 4.350 nan 0.000 0.286 60 T C 0.642 175.355 174.700 0.021 0.000 1.002 60 T CA -1.150 60.956 62.100 0.012 0.000 1.074 60 T CB 2.173 71.045 68.868 0.006 0.000 0.984 60 T HN -0.761 7.388 8.240 0.017 0.101 0.495 61 D N 3.938 124.351 120.400 0.022 0.000 2.264 61 D HA -0.106 nan 4.640 nan 0.000 0.208 61 D C 1.546 177.870 176.300 0.040 0.000 0.966 61 D CA 2.684 56.700 54.000 0.028 0.000 0.864 61 D CB -0.496 40.319 40.800 0.025 0.000 0.933 61 D HN 0.463 8.844 8.370 0.017 0.000 0.499 62 V N -0.004 119.939 119.914 0.047 0.000 2.244 62 V HA -0.306 nan 4.120 nan 0.000 0.244 62 V C 1.925 178.055 176.094 0.061 0.000 1.042 62 V CA 4.427 66.767 62.300 0.066 0.000 1.006 62 V CB -0.336 31.533 31.823 0.076 0.000 0.641 62 V HN -0.107 8.074 8.190 0.039 0.032 0.446 63 V N -0.912 119.037 119.914 0.058 0.000 2.307 63 V HA -0.396 nan 4.120 nan 0.000 0.245 63 V C 2.043 178.161 176.094 0.039 0.000 1.045 63 V CA 3.581 65.917 62.300 0.060 0.000 1.024 63 V CB -0.706 31.158 31.823 0.067 0.000 0.651 63 V HN -0.565 7.658 8.190 0.055 0.000 0.449 64 E N -1.177 119.041 120.200 0.031 0.000 2.021 64 E HA -0.229 nan 4.350 nan 0.000 0.200 64 E C 1.565 178.173 176.600 0.014 0.000 1.015 64 E CA 2.594 59.006 56.400 0.020 0.000 0.824 64 E CB 0.469 30.180 29.700 0.018 0.000 0.762 64 E HN 0.007 8.387 8.360 0.033 0.000 0.454 65 K N -5.843 114.570 120.400 0.022 0.000 2.706 65 K HA 0.325 nan 4.320 nan 0.000 0.203 65 K C -0.283 176.339 176.600 0.037 0.000 1.102 65 K CA -0.283 56.013 56.287 0.016 0.000 1.058 65 K CB 0.660 33.172 32.500 0.019 0.000 0.779 65 K HN -0.004 8.144 8.250 0.031 0.121 0.483 66 E N -0.804 119.428 120.200 0.053 0.000 2.467 66 E HA 0.195 nan 4.350 nan 0.000 0.213 66 E C -0.090 176.582 176.600 0.120 0.000 0.823 66 E CA -0.143 56.321 56.400 0.106 0.000 1.233 66 E CB 2.530 32.313 29.700 0.138 0.000 1.233 66 E HN -0.111 8.276 8.360 0.045 0.000 0.585 67 M N 0.506 120.149 119.600 0.072 0.000 2.250 67 M HA -0.178 nan 4.480 nan 0.000 0.337 67 M C 0.121 176.469 176.300 0.081 0.000 1.161 67 M CA 1.643 56.989 55.300 0.077 0.000 1.088 67 M CB 0.407 33.014 32.600 0.013 0.000 1.639 67 M HN -0.816 7.504 8.290 0.049 0.000 0.447 68 Y N 4.021 124.332 120.300 0.019 0.000 2.700 68 Y HA 0.190 nan 4.550 nan 0.000 0.333 68 Y C -1.575 174.372 175.900 0.078 0.000 1.036 68 Y CA -0.659 57.465 58.100 0.040 0.000 1.287 68 Y CB -0.929 37.539 38.460 0.013 0.000 1.132 68 Y HN 0.602 9.067 8.280 0.309 0.000 0.510 69 T N 6.311 120.971 114.554 0.176 0.000 2.925 69 T HA 0.699 nan 4.350 nan 0.000 0.285 69 T C -1.484 173.390 174.700 0.291 0.000 1.021 69 T CA -0.623 61.584 62.100 0.178 0.000 1.042 69 T CB 1.689 70.594 68.868 0.063 0.000 1.037 69 T HN 0.041 8.325 8.240 0.074 0.000 0.481 70 F N 0.259 120.210 119.950 0.001 0.000 2.741 70 F HA 0.499 nan 4.527 nan 0.000 0.313 70 F C -2.756 173.043 175.800 -0.003 0.000 1.153 70 F CA -2.432 55.565 58.000 -0.005 0.000 0.931 70 F CB 1.924 40.920 39.000 -0.006 0.000 1.335 70 F HN 0.865 9.092 8.300 -0.122 0.000 0.460 71 E N 0.719 120.951 120.200 0.053 0.000 2.156 71 E HA 0.240 nan 4.350 nan 0.000 0.279 71 E C -1.541 175.047 176.600 -0.019 0.000 0.965 71 E CA -1.365 55.002 56.400 -0.056 0.000 0.789 71 E CB 1.801 31.501 29.700 0.001 0.000 1.098 71 E HN 0.048 8.543 8.360 0.226 0.000 0.397 72 D N 6.686 127.012 120.400 -0.124 0.000 2.358 72 D HA 0.112 nan 4.640 nan 0.000 0.244 72 D C 0.985 177.287 176.300 0.004 0.000 1.163 72 D CA -0.628 53.344 54.000 -0.046 0.000 0.945 72 D CB 1.253 41.990 40.800 -0.105 0.000 1.152 72 D HN 0.392 8.651 8.370 -0.185 0.000 0.451 73 R N 3.120 123.638 120.500 0.029 0.000 2.185 73 R HA -0.318 nan 4.340 nan 0.000 0.247 73 R C 0.569 176.871 176.300 0.003 0.000 1.159 73 R CA 2.837 58.950 56.100 0.021 0.000 0.988 73 R CB -0.182 30.131 30.300 0.023 0.000 0.871 73 R HN 0.390 8.689 8.270 0.048 0.000 0.458 74 N N -2.983 115.711 118.700 -0.010 0.000 2.327 74 N HA -0.008 nan 4.740 nan 0.000 0.231 74 N C -0.219 175.275 175.510 -0.026 0.000 1.130 74 N CA -0.297 52.743 53.050 -0.017 0.000 0.845 74 N CB 0.111 38.586 38.487 -0.020 0.000 1.073 74 N HN -0.618 7.900 8.380 -0.014 -0.146 0.496 75 G N -1.499 107.285 108.800 -0.026 0.000 2.284 75 G HA2 -0.457 nan 3.960 nan 0.000 0.261 75 G HA3 -0.457 nan 3.960 nan 0.000 0.261 75 G C -0.998 173.872 174.900 -0.049 0.000 0.997 75 G CA 0.344 45.425 45.100 -0.031 0.000 0.621 75 G HN 0.142 8.265 8.290 -0.019 0.155 0.534 76 D N 1.497 121.859 120.400 -0.064 0.000 2.455 76 D HA -0.042 nan 4.640 nan 0.000 0.241 76 D C -0.543 175.681 176.300 -0.127 0.000 1.138 76 D CA 1.058 55.007 54.000 -0.085 0.000 0.877 76 D CB 0.481 41.228 40.800 -0.088 0.000 1.187 76 D HN -0.063 8.161 8.370 -0.057 0.112 0.451 77 S N 0.385 116.015 115.700 -0.117 0.000 2.489 77 S HA 0.687 nan 4.470 nan 0.000 0.277 77 S C -0.478 174.001 174.600 -0.201 0.000 1.230 77 S CA -0.351 57.759 58.200 -0.151 0.000 1.053 77 S CB 0.846 63.998 63.200 -0.080 0.000 0.955 77 S HN 0.171 8.428 8.310 -0.087 0.000 0.488 78 L N 4.627 125.616 121.223 -0.390 0.000 2.346 78 L HA 0.722 nan 4.340 nan 0.000 0.274 78 L C -1.097 175.606 176.870 -0.279 0.000 1.007 78 L CA -1.279 53.315 54.840 -0.410 0.000 0.818 78 L CB 2.663 44.289 42.059 -0.722 0.000 1.284 78 L HN 0.968 8.775 8.230 -0.527 0.107 0.424 79 T N 3.429 117.976 114.554 -0.012 0.000 2.881 79 T HA 0.609 nan 4.350 nan 0.000 0.290 79 T C -1.003 173.728 174.700 0.052 0.000 1.000 79 T CA -0.395 61.746 62.100 0.068 0.000 0.978 79 T CB 1.994 70.913 68.868 0.085 0.000 0.997 79 T HN 0.873 9.150 8.240 0.061 0.000 0.443 80 L N 5.676 126.905 121.223 0.009 0.000 2.418 80 L HA 0.267 nan 4.340 nan 0.000 0.274 80 L C 0.048 176.803 176.870 -0.191 0.000 1.135 80 L CA -0.081 54.677 54.840 -0.137 0.000 0.870 80 L CB -0.802 40.999 42.059 -0.430 0.000 1.154 80 L HN 0.453 8.740 8.230 0.096 0.000 0.462 81 R N 5.659 126.082 120.500 -0.128 0.000 2.494 81 R HA -0.175 nan 4.340 nan 0.000 0.291 81 R C -1.174 175.047 176.300 -0.131 0.000 0.953 81 R CA 0.488 56.453 56.100 -0.224 0.000 1.098 81 R CB -0.739 29.624 30.300 0.105 0.000 0.911 81 R HN 0.305 8.578 8.270 0.005 0.000 0.407 82 P HA 0.245 nan 4.420 nan 0.000 0.272 82 P C -1.598 175.751 177.300 0.082 0.000 1.276 82 P CA 0.329 63.411 63.100 -0.030 0.000 0.871 82 P CB 0.663 32.350 31.700 -0.020 0.000 1.313 83 E N -3.577 116.679 120.200 0.093 0.000 2.439 83 E HA 0.176 nan 4.350 nan 0.000 0.279 83 E C -1.389 175.320 176.600 0.182 0.000 1.077 83 E CA -0.672 55.847 56.400 0.198 0.000 0.849 83 E CB 1.664 31.527 29.700 0.272 0.000 1.408 83 E HN -0.615 7.715 8.360 0.045 0.057 0.457 84 G N -3.490 105.413 108.800 0.171 0.000 3.228 84 G HA2 0.474 nan 3.960 nan 0.000 0.245 84 G HA3 0.474 nan 3.960 nan 0.000 0.245 84 G C -0.022 174.824 174.900 -0.090 0.000 1.051 84 G CA 0.241 45.313 45.100 -0.047 0.000 0.809 84 G HN 0.567 9.016 8.290 0.265 0.000 0.531 85 T N 4.761 119.354 114.554 0.066 0.000 2.777 85 T HA -0.259 nan 4.350 nan 0.000 0.266 85 T C 1.445 176.076 174.700 -0.115 0.000 1.040 85 T CA 4.659 66.739 62.100 -0.033 0.000 1.141 85 T CB -0.413 68.276 68.868 -0.299 0.000 0.868 85 T HN -0.684 7.888 8.240 0.152 -0.241 0.444 86 A N 1.004 123.756 122.820 -0.112 0.000 1.873 86 A HA -0.342 nan 4.320 nan 0.000 0.218 86 A C 1.661 179.145 177.584 -0.166 0.000 1.193 86 A CA 3.357 55.296 52.037 -0.164 0.000 0.629 86 A CB -0.966 17.927 19.000 -0.177 0.000 0.826 86 A HN -0.363 8.031 8.150 -0.018 -0.255 0.447 87 G N -3.526 105.195 108.800 -0.131 0.000 2.432 87 G HA2 -0.438 nan 3.960 nan 0.000 0.219 87 G HA3 -0.438 nan 3.960 nan 0.000 0.219 87 G C 0.723 175.560 174.900 -0.105 0.000 1.135 87 G CA 1.916 46.941 45.100 -0.124 0.000 0.767 87 G HN 0.213 8.466 8.290 -0.062 0.000 0.550 88 C N 2.320 121.564 119.300 -0.093 0.000 2.473 88 C HA -0.214 nan 4.460 nan 0.000 0.279 88 C C 2.034 177.017 174.990 -0.012 0.000 1.250 88 C CA 3.621 62.634 59.018 -0.008 0.000 1.713 88 C CB -1.353 26.465 27.740 0.129 0.000 2.066 88 C HN -0.539 7.509 8.230 -0.109 0.116 0.474 89 V N 1.772 121.671 119.914 -0.023 0.000 2.324 89 V HA -0.538 nan 4.120 nan 0.000 0.250 89 V C 1.921 177.925 176.094 -0.150 0.000 1.060 89 V CA 4.751 66.975 62.300 -0.127 0.000 1.042 89 V CB -1.083 30.689 31.823 -0.086 0.000 0.650 89 V HN 0.588 8.780 8.190 0.003 0.000 0.450 90 R N -0.576 119.849 120.500 -0.125 0.000 2.070 90 R HA -0.405 nan 4.340 nan 0.000 0.233 90 R C 1.907 178.155 176.300 -0.087 0.000 1.137 90 R CA 3.697 59.722 56.100 -0.124 0.000 0.945 90 R CB -0.231 29.983 30.300 -0.143 0.000 0.845 90 R HN 0.404 8.590 8.270 -0.124 0.009 0.430 91 A N -2.693 120.103 122.820 -0.041 0.000 1.972 91 A HA -0.174 nan 4.320 nan 0.000 0.219 91 A C 2.066 179.702 177.584 0.087 0.000 1.169 91 A CA 2.831 54.911 52.037 0.072 0.000 0.635 91 A CB -0.838 18.198 19.000 0.060 0.000 0.810 91 A HN 0.314 8.322 8.150 -0.056 0.109 0.446 92 G N -0.854 107.918 108.800 -0.047 0.000 2.453 92 G HA2 -0.326 nan 3.960 nan 0.000 0.215 92 G HA3 -0.326 nan 3.960 nan 0.000 0.215 92 G C 1.320 176.155 174.900 -0.107 0.000 1.201 92 G CA 1.883 46.910 45.100 -0.121 0.000 0.784 92 G HN 0.131 8.161 8.290 -0.080 0.212 0.545 93 I N 1.366 121.852 120.570 -0.139 0.000 2.226 93 I HA -0.526 nan 4.170 nan 0.000 0.245 93 I C 2.491 178.539 176.117 -0.116 0.000 1.100 93 I CA 3.741 64.966 61.300 -0.125 0.000 1.374 93 I CB -0.170 37.750 38.000 -0.133 0.000 1.057 93 I HN 0.518 8.521 8.210 -0.158 0.113 0.413 94 E N 0.257 120.373 120.200 -0.138 0.000 2.110 94 E HA -0.301 nan 4.350 nan 0.000 0.193 94 E C 1.523 177.904 176.600 -0.365 0.000 0.988 94 E CA 2.693 58.939 56.400 -0.256 0.000 0.804 94 E CB 0.099 29.605 29.700 -0.324 0.000 0.745 94 E HN 0.126 8.306 8.360 -0.116 0.110 0.458 95 H N -4.966 114.070 119.070 -0.056 0.000 2.586 95 H HA 0.187 nan 4.556 nan 0.000 0.273 95 H C -0.409 174.902 175.328 -0.029 0.000 0.997 95 H CA -0.254 55.770 56.048 -0.039 0.000 1.177 95 H CB 0.283 30.024 29.762 -0.036 0.000 1.471 95 H HN -0.425 7.879 8.280 0.040 0.000 0.538 96 G N 0.226 109.049 108.800 0.038 0.000 2.324 96 G HA2 -0.373 nan 3.960 nan 0.000 0.292 96 G HA3 -0.373 nan 3.960 nan 0.000 0.292 96 G C -0.381 174.547 174.900 0.048 0.000 1.079 96 G CA 0.675 45.796 45.100 0.034 0.000 1.026 96 G HN -0.438 7.669 8.290 -0.007 0.178 0.506 97 L N -2.838 118.400 121.223 0.025 0.000 2.616 97 L HA 0.073 nan 4.340 nan 0.000 0.229 97 L C 0.522 177.392 176.870 -0.001 0.000 1.110 97 L CA 0.346 55.196 54.840 0.016 0.000 0.884 97 L CB 0.493 42.557 42.059 0.008 0.000 1.115 97 L HN 0.068 8.302 8.230 0.006 0.000 0.481 98 L N -3.383 117.824 121.223 -0.025 0.000 2.286 98 L HA 0.007 nan 4.340 nan 0.000 0.203 98 L C -0.063 176.862 176.870 0.091 0.000 1.068 98 L CA 0.872 55.693 54.840 -0.031 0.000 0.811 98 L CB 0.491 42.445 42.059 -0.175 0.000 0.989 98 L HN -0.782 7.384 8.230 -0.025 0.048 0.467 99 Y N 0.167 120.439 120.300 -0.046 0.000 2.815 99 Y HA -0.342 nan 4.550 nan 0.000 0.346 99 Y C -0.053 175.842 175.900 -0.008 0.000 1.267 99 Y CA 0.439 58.523 58.100 -0.026 0.000 1.604 99 Y CB -0.787 37.657 38.460 -0.027 0.000 1.218 99 Y HN -0.429 7.957 8.280 0.176 0.000 0.527 100 N N 4.549 123.218 118.700 -0.053 0.000 2.710 100 N HA -0.409 nan 4.740 nan 0.000 0.249 100 N C -1.198 174.260 175.510 -0.086 0.000 1.059 100 N CA 0.926 53.871 53.050 -0.176 0.000 0.720 100 N CB -0.853 37.368 38.487 -0.443 0.000 0.983 100 N HN 0.467 8.958 8.380 0.186 0.000 0.544 101 Q N -2.675 117.123 119.800 -0.005 0.000 2.544 101 Q HA 0.148 nan 4.340 nan 0.000 0.291 101 Q C -2.132 173.902 176.000 0.057 0.000 1.068 101 Q CA -1.595 54.217 55.803 0.015 0.000 0.785 101 Q CB 3.921 32.671 28.738 0.020 0.000 1.481 101 Q HN -0.558 7.713 8.270 0.035 0.020 0.430 102 E N 0.374 120.607 120.200 0.054 0.000 2.238 102 E HA 0.154 nan 4.350 nan 0.000 0.267 102 E C -1.569 175.075 176.600 0.073 0.000 0.887 102 E CA -0.846 55.595 56.400 0.069 0.000 0.769 102 E CB 1.354 31.073 29.700 0.033 0.000 1.187 102 E HN 0.106 8.486 8.360 0.035 0.000 0.416 103 Q N 2.921 122.786 119.800 0.107 0.000 2.315 103 Q HA 0.358 nan 4.340 nan 0.000 0.273 103 Q C -2.243 173.752 176.000 -0.008 0.000 1.053 103 Q CA -1.148 54.714 55.803 0.098 0.000 0.817 103 Q CB 4.351 33.234 28.738 0.242 0.000 1.326 103 Q HN 0.039 8.388 8.270 0.131 0.000 0.423 104 R N 3.953 124.369 120.500 -0.140 0.000 2.412 104 R HA 0.725 nan 4.340 nan 0.000 0.304 104 R C -1.431 174.724 176.300 -0.242 0.000 1.066 104 R CA -0.093 55.738 56.100 -0.447 0.000 0.923 104 R CB 0.710 30.459 30.300 -0.920 0.000 1.156 104 R HN 0.500 8.715 8.270 -0.093 0.000 0.513 105 L N 2.222 123.437 121.223 -0.014 0.000 2.279 105 L HA 0.885 nan 4.340 nan 0.000 0.262 105 L C -1.725 175.312 176.870 0.278 0.000 1.019 105 L CA -1.735 53.185 54.840 0.134 0.000 0.823 105 L CB 3.945 46.079 42.059 0.125 0.000 1.358 105 L HN 0.760 8.977 8.230 -0.022 0.000 0.432 106 W N -2.963 118.426 121.300 0.149 0.000 3.118 106 W HA 0.842 nan 4.660 nan 0.000 0.328 106 W C -3.189 173.375 176.519 0.075 0.000 1.239 106 W CA -1.281 56.075 57.345 0.019 0.000 1.176 106 W CB 3.035 32.548 29.460 0.089 0.000 1.433 106 W HN 0.373 8.434 8.180 -0.197 0.000 0.562 107 Y N -5.975 114.426 120.300 0.169 0.000 2.609 107 Y HA 0.514 nan 4.550 nan 0.000 0.336 107 Y C -3.111 172.927 175.900 0.231 0.000 1.129 107 Y CA -1.505 56.588 58.100 -0.012 0.000 1.040 107 Y CB 2.477 40.916 38.460 -0.034 0.000 1.310 107 Y HN 0.813 8.855 8.280 -0.233 0.098 0.460 108 I N 0.264 121.075 120.570 0.402 0.000 2.692 108 I HA 0.679 nan 4.170 nan 0.000 0.293 108 I C -1.415 174.873 176.117 0.284 0.000 1.200 108 I CA -1.448 60.076 61.300 0.373 0.000 1.036 108 I CB 3.284 41.521 38.000 0.396 0.000 1.258 108 I HN 0.371 8.750 8.210 0.282 0.000 0.421 109 G N 5.233 114.189 108.800 0.259 0.000 2.317 109 G HA2 0.223 nan 3.960 nan 0.000 0.293 109 G HA3 0.223 nan 3.960 nan 0.000 0.293 109 G C -4.032 170.929 174.900 0.101 0.000 1.287 109 G CA 0.281 45.490 45.100 0.183 0.000 0.850 109 G HN -0.154 8.308 8.290 0.287 0.000 0.515 110 P HA 0.745 nan 4.420 nan 0.000 0.284 110 P C -1.890 175.047 177.300 -0.604 0.000 1.258 110 P CA -0.803 61.983 63.100 -0.524 0.000 0.824 110 P CB 1.273 32.585 31.700 -0.646 0.000 1.038 111 M N -0.699 118.258 119.600 -1.073 0.000 2.602 111 M HA 0.783 nan 4.480 nan 0.000 0.312 111 M C -1.371 174.159 176.300 -1.283 0.000 1.181 111 M CA -2.200 52.481 55.300 -1.031 0.000 0.910 111 M CB 4.295 36.042 32.600 -1.422 0.000 1.723 111 M HN 0.927 8.317 8.290 -1.301 0.120 0.459 112 F N 0.454 120.138 119.950 -0.443 0.000 2.547 112 F HA 0.659 nan 4.527 nan 0.000 0.316 112 F C -1.130 174.705 175.800 0.057 0.000 1.121 112 F CA -1.118 56.732 58.000 -0.249 0.000 0.911 112 F CB 2.868 41.630 39.000 -0.397 0.000 1.179 112 F HN 0.780 8.938 8.300 -0.045 0.115 0.443 113 R N 0.296 121.055 120.500 0.432 0.000 2.548 113 R HA 0.307 nan 4.340 nan 0.000 0.280 113 R C -1.589 175.056 176.300 0.576 0.000 1.061 113 R CA -1.302 55.089 56.100 0.484 0.000 0.915 113 R CB 4.290 34.830 30.300 0.399 0.000 1.210 113 R HN 0.076 8.572 8.270 0.376 0.000 0.442 114 H N 5.648 124.939 119.070 0.369 0.000 3.067 114 H HA -0.018 nan 4.556 nan 0.000 0.265 114 H C -1.462 173.930 175.328 0.107 0.000 1.234 114 H CA 0.182 56.326 56.048 0.159 0.000 1.452 114 H CB 0.166 29.777 29.762 -0.252 0.000 1.527 114 H HN 0.803 9.205 8.280 0.420 0.130 0.486 115 E N 5.827 125.994 120.200 -0.055 0.000 2.343 115 E HA 0.214 nan 4.350 nan 0.000 0.270 115 E C -1.215 175.315 176.600 -0.116 0.000 0.895 115 E CA -1.813 54.559 56.400 -0.047 0.000 0.767 115 E CB 4.159 33.863 29.700 0.007 0.000 1.248 115 E HN -0.502 7.837 8.360 -0.035 0.000 0.440 116 R N 2.883 123.335 120.500 -0.079 0.000 2.351 116 R HA 0.156 nan 4.340 nan 0.000 0.321 116 R C -1.920 174.330 176.300 -0.084 0.000 1.182 116 R CA -1.837 54.219 56.100 -0.073 0.000 1.011 116 R CB -1.425 28.850 30.300 -0.041 0.000 1.048 116 R HN 0.432 8.674 8.270 -0.048 0.000 0.490 117 P HA -0.157 nan 4.420 nan 0.000 0.264 117 P C -1.748 175.466 177.300 -0.143 0.000 1.179 117 P CA 0.207 63.220 63.100 -0.145 0.000 0.763 117 P CB 0.538 32.180 31.700 -0.097 0.000 0.806 118 Q N 2.919 122.589 119.800 -0.217 0.000 2.965 118 Q HA 0.195 nan 4.340 nan 0.000 0.379 118 Q C 0.705 176.577 176.000 -0.214 0.000 0.727 118 Q CA -1.248 54.460 55.803 -0.159 0.000 0.883 118 Q CB 0.475 29.144 28.738 -0.115 0.000 1.233 118 Q HN -0.233 7.835 8.270 -0.336 0.000 0.464 119 K N 0.670 120.993 120.400 -0.127 0.000 1.977 119 K HA -0.320 nan 4.320 nan 0.000 0.218 119 K C 0.519 177.044 176.600 -0.125 0.000 1.051 119 K CA 2.499 58.742 56.287 -0.072 0.000 0.953 119 K CB 0.069 32.551 32.500 -0.029 0.000 0.727 119 K HN 0.404 8.598 8.250 -0.093 0.000 0.445 120 G N -5.694 103.013 108.800 -0.155 0.000 3.805 120 G HA2 0.189 nan 3.960 nan 0.000 0.290 120 G HA3 0.189 nan 3.960 nan 0.000 0.290 120 G C -1.268 173.458 174.900 -0.290 0.000 1.077 120 G CA -0.898 44.127 45.100 -0.126 0.000 0.852 120 G HN -0.443 7.979 8.290 -0.131 -0.210 0.531 121 R N 0.983 121.165 120.500 -0.530 0.000 2.371 121 R HA 0.462 nan 4.340 nan 0.000 0.312 121 R C -1.715 174.235 176.300 -0.583 0.000 0.980 121 R CA -2.023 53.831 56.100 -0.409 0.000 0.867 121 R CB 1.000 31.158 30.300 -0.236 0.000 1.163 121 R HN -0.816 7.031 8.270 -0.612 0.055 0.492 122 Y N 2.509 122.821 120.300 0.019 0.000 2.528 122 Y HA 0.340 nan 4.550 nan 0.000 0.335 122 Y C -0.019 175.970 175.900 0.150 0.000 1.093 122 Y CA -0.804 57.351 58.100 0.092 0.000 1.134 122 Y CB 2.219 40.770 38.460 0.152 0.000 1.253 122 Y HN 0.237 8.479 8.280 -0.063 0.000 0.478 123 R N -2.021 118.641 120.500 0.269 0.000 2.173 123 R HA -0.037 nan 4.340 nan 0.000 0.208 123 R C -0.191 176.190 176.300 0.136 0.000 1.035 123 R CA 1.520 57.759 56.100 0.231 0.000 1.004 123 R CB 1.407 31.825 30.300 0.197 0.000 0.917 123 R HN 0.359 8.684 8.270 0.270 0.106 0.462 124 Q N -1.186 118.643 119.800 0.049 0.000 2.339 124 Q HA 0.428 nan 4.340 nan 0.000 0.268 124 Q C -1.720 174.173 176.000 -0.177 0.000 1.027 124 Q CA -0.990 54.597 55.803 -0.359 0.000 0.759 124 Q CB 2.294 30.833 28.738 -0.332 0.000 1.244 124 Q HN -0.884 7.482 8.270 0.161 0.000 0.464 125 F N 2.949 122.654 119.950 -0.408 0.000 2.654 125 F HA 0.849 nan 4.527 nan 0.000 0.334 125 F C -2.174 173.356 175.800 -0.451 0.000 1.078 125 F CA -2.746 55.130 58.000 -0.205 0.000 0.986 125 F CB 2.712 41.761 39.000 0.081 0.000 1.362 125 F HN 0.683 8.501 8.300 -0.804 0.000 0.498 126 H N -2.003 117.222 119.070 0.257 0.000 2.600 126 H HA 0.576 nan 4.556 nan 0.000 0.357 126 H C -1.326 174.175 175.328 0.288 0.000 1.106 126 H CA -1.086 55.044 56.048 0.138 0.000 1.193 126 H CB 2.703 32.543 29.762 0.129 0.000 1.594 126 H HN -0.105 8.701 8.280 0.623 -0.153 0.526 127 Q N 0.666 120.665 119.800 0.331 0.000 2.345 127 Q HA 0.710 nan 4.340 nan 0.000 0.268 127 Q C -2.007 174.159 176.000 0.277 0.000 1.054 127 Q CA -1.805 54.201 55.803 0.339 0.000 0.835 127 Q CB 4.098 33.056 28.738 0.368 0.000 1.339 127 Q HN 0.592 9.003 8.270 0.235 0.000 0.447 128 L N 2.693 124.035 121.223 0.198 0.000 2.298 128 L HA 0.681 nan 4.340 nan 0.000 0.284 128 L C -1.950 174.925 176.870 0.007 0.000 1.013 128 L CA -1.402 53.512 54.840 0.124 0.000 0.824 128 L CB 2.513 44.587 42.059 0.025 0.000 1.221 128 L HN 0.089 8.443 8.230 0.207 0.000 0.418 129 G N 3.650 112.258 108.800 -0.320 0.000 2.537 129 G HA2 0.664 nan 3.960 nan 0.000 0.308 129 G HA3 0.664 nan 3.960 nan 0.000 0.308 129 G C -3.056 171.367 174.900 -0.796 0.000 1.237 129 G CA -1.552 43.118 45.100 -0.717 0.000 0.968 129 G HN 1.012 8.981 8.290 -0.347 0.112 0.481 130 C N 0.512 119.368 119.300 -0.740 0.000 2.686 130 C HA 0.830 nan 4.460 nan 0.000 0.318 130 C C -2.035 172.842 174.990 -0.188 0.000 1.160 130 C CA -1.040 57.752 59.018 -0.377 0.000 1.396 130 C CB 2.467 29.898 27.740 -0.514 0.000 1.924 130 C HN 0.768 8.515 8.230 -0.805 0.000 0.471 131 E N 3.954 124.157 120.200 0.006 0.000 2.321 131 E HA 0.691 nan 4.350 nan 0.000 0.278 131 E C -2.487 173.972 176.600 -0.234 0.000 0.902 131 E CA -1.270 55.092 56.400 -0.064 0.000 0.758 131 E CB 4.193 33.911 29.700 0.030 0.000 1.213 131 E HN 0.445 8.853 8.360 0.080 0.000 0.426 132 V N 1.450 121.099 119.914 -0.442 0.000 2.656 132 V HA 0.816 nan 4.120 nan 0.000 0.307 132 V C -1.843 173.832 176.094 -0.698 0.000 1.051 132 V CA -1.014 61.039 62.300 -0.410 0.000 0.893 132 V CB 2.914 34.651 31.823 -0.143 0.000 0.999 132 V HN 0.850 8.790 8.190 -0.417 0.000 0.426 133 F N 3.089 123.041 119.950 0.004 0.000 2.529 133 F HA 0.631 nan 4.527 nan 0.000 0.320 133 F C 0.268 176.065 175.800 -0.005 0.000 1.118 133 F CA -2.154 55.842 58.000 -0.006 0.000 0.915 133 F CB 2.826 41.836 39.000 0.016 0.000 1.161 133 F HN 0.673 8.952 8.300 -0.036 0.000 0.445 134 G N 2.430 111.332 108.800 0.170 0.000 2.184 134 G HA2 -0.348 nan 3.960 nan 0.000 0.206 134 G HA3 -0.348 nan 3.960 nan 0.000 0.206 134 G C -1.358 173.578 174.900 0.061 0.000 0.995 134 G CA 0.119 45.282 45.100 0.105 0.000 0.651 134 G HN 0.604 8.892 8.290 0.174 0.107 0.511 135 L N 0.607 121.855 121.223 0.043 0.000 2.325 135 L HA 0.321 nan 4.340 nan 0.000 0.281 135 L C -0.457 176.445 176.870 0.052 0.000 1.004 135 L CA -2.147 52.719 54.840 0.043 0.000 0.823 135 L CB -0.327 41.755 42.059 0.038 0.000 1.236 135 L HN -0.397 7.851 8.230 0.030 0.000 0.415 136 Q N 6.398 126.242 119.800 0.073 0.000 2.159 136 Q HA -0.090 nan 4.340 nan 0.000 0.194 136 Q C 0.069 176.217 176.000 0.247 0.000 0.968 136 Q CA 1.220 57.083 55.803 0.100 0.000 0.837 136 Q CB 0.876 29.657 28.738 0.071 0.000 0.920 136 Q HN 0.581 8.892 8.270 0.068 0.000 0.485 137 G N -1.075 107.853 108.800 0.212 0.000 2.902 137 G HA2 -0.201 nan 3.960 nan 0.000 0.240 137 G HA3 -0.201 nan 3.960 nan 0.000 0.240 137 G C -1.575 173.394 174.900 0.114 0.000 1.244 137 G CA -1.146 44.073 45.100 0.200 0.000 0.862 137 G HN -0.066 8.304 8.290 0.134 0.000 0.603 138 P HA -0.010 nan 4.420 nan 0.000 0.241 138 P C 0.112 177.344 177.300 -0.113 0.000 1.191 138 P CA 1.060 63.955 63.100 -0.342 0.000 0.771 138 P CB 0.290 31.653 31.700 -0.562 0.000 0.929 139 D N 0.298 120.661 120.400 -0.062 0.000 2.087 139 D HA -0.334 nan 4.640 nan 0.000 0.192 139 D C 1.923 178.225 176.300 0.004 0.000 0.993 139 D CA 2.834 56.817 54.000 -0.027 0.000 0.828 139 D CB -1.732 39.064 40.800 -0.008 0.000 0.968 139 D HN 0.145 8.423 8.370 -0.059 0.057 0.448 140 I N 0.082 120.673 120.570 0.036 0.000 2.335 140 I HA -0.390 nan 4.170 nan 0.000 0.251 140 I C 0.854 177.011 176.117 0.066 0.000 1.129 140 I CA 1.966 63.305 61.300 0.065 0.000 1.402 140 I CB -0.095 37.949 38.000 0.073 0.000 1.069 140 I HN -0.255 7.979 8.210 0.040 0.000 0.424 141 D N -0.092 120.345 120.400 0.061 0.000 2.123 141 D HA -0.365 nan 4.640 nan 0.000 0.196 141 D C 2.186 178.463 176.300 -0.038 0.000 0.992 141 D CA 4.306 58.344 54.000 0.063 0.000 0.833 141 D CB -0.643 40.210 40.800 0.088 0.000 0.954 141 D HN -0.374 7.932 8.370 0.059 0.100 0.455 142 A N -1.069 121.717 122.820 -0.057 0.000 1.930 142 A HA -0.218 nan 4.320 nan 0.000 0.217 142 A C 1.549 179.090 177.584 -0.072 0.000 1.175 142 A CA 2.994 54.975 52.037 -0.094 0.000 0.627 142 A CB -0.671 18.280 19.000 -0.082 0.000 0.815 142 A HN -0.064 7.967 8.150 -0.040 0.095 0.443 143 E N -0.253 119.938 120.200 -0.015 0.000 2.085 143 E HA -0.354 nan 4.350 nan 0.000 0.194 143 E C 2.389 178.935 176.600 -0.090 0.000 0.994 143 E CA 3.068 59.480 56.400 0.022 0.000 0.801 143 E CB -0.134 29.635 29.700 0.115 0.000 0.743 143 E HN -0.465 7.814 8.360 0.005 0.084 0.453 144 L N -2.057 119.118 121.223 -0.080 0.000 2.046 144 L HA -0.330 nan 4.340 nan 0.000 0.208 144 L C 2.345 179.008 176.870 -0.344 0.000 1.077 144 L CA 3.109 57.856 54.840 -0.155 0.000 0.747 144 L CB -0.144 41.981 42.059 0.111 0.000 0.896 144 L HN -0.436 7.791 8.230 -0.005 0.000 0.432 145 I N -1.128 119.261 120.570 -0.303 0.000 2.315 145 I HA -0.577 nan 4.170 nan 0.000 0.248 145 I C 1.995 178.014 176.117 -0.163 0.000 1.117 145 I CA 3.924 65.069 61.300 -0.258 0.000 1.404 145 I CB -0.215 37.592 38.000 -0.321 0.000 1.071 145 I HN -0.798 7.184 8.210 -0.248 0.079 0.419 146 M N -0.145 119.350 119.600 -0.175 0.000 2.213 146 M HA -0.383 nan 4.480 nan 0.000 0.263 146 M C 2.174 178.301 176.300 -0.288 0.000 1.062 146 M CA 4.341 59.562 55.300 -0.131 0.000 1.105 146 M CB -0.010 32.577 32.600 -0.022 0.000 1.385 146 M HN 0.010 8.113 8.290 -0.163 0.089 0.417 147 L N -1.008 119.876 121.223 -0.566 0.000 2.027 147 L HA -0.384 nan 4.340 nan 0.000 0.206 147 L C 1.477 177.575 176.870 -1.286 0.000 1.074 147 L CA 3.590 57.767 54.840 -1.105 0.000 0.745 147 L CB 0.008 41.169 42.059 -1.496 0.000 0.898 147 L HN -0.006 7.815 8.230 -0.498 0.110 0.433 148 T N -2.593 111.255 114.554 -1.177 0.000 2.720 148 T HA -0.380 nan 4.350 nan 0.000 0.268 148 T C 1.747 175.416 174.700 -1.719 0.000 1.037 148 T CA 3.769 65.005 62.100 -1.440 0.000 1.144 148 T CB -0.757 67.508 68.868 -1.004 0.000 0.864 148 T HN -0.037 7.669 8.240 -0.890 0.000 0.444 149 A N 2.404 124.610 122.820 -1.023 0.000 1.892 149 A HA -0.368 nan 4.320 nan 0.000 0.218 149 A C 1.664 178.912 177.584 -0.560 0.000 1.188 149 A CA 3.074 54.697 52.037 -0.691 0.000 0.631 149 A CB -0.961 17.954 19.000 -0.141 0.000 0.822 149 A HN 0.247 8.012 8.150 -0.637 0.003 0.447 150 R N -2.310 117.905 120.500 -0.474 0.000 2.127 150 R HA -0.296 nan 4.340 nan 0.000 0.238 150 R C 2.009 178.166 176.300 -0.238 0.000 1.134 150 R CA 3.532 59.464 56.100 -0.280 0.000 0.975 150 R CB -0.105 30.076 30.300 -0.198 0.000 0.865 150 R HN -0.186 7.708 8.270 -0.507 0.072 0.447 151 W N -1.566 119.354 121.300 -0.633 0.000 2.358 151 W HA -0.250 nan 4.660 nan 0.000 0.303 151 W C 2.256 178.625 176.519 -0.250 0.000 1.208 151 W CA 2.062 59.066 57.345 -0.568 0.000 1.274 151 W CB -0.706 28.184 29.460 -0.949 0.000 1.138 151 W HN -0.764 6.785 8.180 -0.837 0.129 0.515 152 W N -2.834 118.439 121.300 -0.044 0.000 2.338 152 W HA -0.571 nan 4.660 nan 0.000 0.304 152 W C 2.056 178.532 176.519 -0.071 0.000 1.212 152 W CA 1.538 58.810 57.345 -0.121 0.000 1.264 152 W CB -0.493 28.835 29.460 -0.219 0.000 1.142 152 W HN -0.407 7.257 8.180 -0.860 0.000 0.512 153 R N -0.578 120.026 120.500 0.172 0.000 2.073 153 R HA -0.386 nan 4.340 nan 0.000 0.234 153 R C 2.946 179.294 176.300 0.081 0.000 1.134 153 R CA 3.283 59.442 56.100 0.098 0.000 0.952 153 R CB -0.277 30.052 30.300 0.047 0.000 0.850 153 R HN -0.465 7.865 8.270 0.100 0.000 0.433 154 A N -0.309 122.555 122.820 0.073 0.000 1.948 154 A HA -0.206 nan 4.320 nan 0.000 0.220 154 A C 1.543 179.167 177.584 0.067 0.000 1.177 154 A CA 2.622 54.702 52.037 0.072 0.000 0.636 154 A CB -0.500 18.550 19.000 0.084 0.000 0.815 154 A HN -0.169 8.018 8.150 0.060 0.000 0.449 155 L N -5.521 115.732 121.223 0.050 0.000 2.567 155 L HA -0.006 nan 4.340 nan 0.000 0.225 155 L C 0.446 177.280 176.870 -0.060 0.000 1.119 155 L CA -0.156 54.649 54.840 -0.058 0.000 0.871 155 L CB 0.379 42.373 42.059 -0.109 0.000 1.036 155 L HN -0.335 7.854 8.230 0.099 0.101 0.459 156 G N -0.139 108.677 108.800 0.026 0.000 2.256 156 G HA2 -0.302 nan 3.960 nan 0.000 0.272 156 G HA3 -0.302 nan 3.960 nan 0.000 0.272 156 G C -0.099 174.808 174.900 0.011 0.000 1.076 156 G CA 0.819 45.938 45.100 0.032 0.000 0.882 156 G HN -0.280 7.859 8.290 0.065 0.189 0.497 157 I N -8.779 111.809 120.570 0.030 0.000 4.160 157 I HA 0.447 nan 4.170 nan 0.000 0.325 157 I C 0.483 176.626 176.117 0.045 0.000 1.455 157 I CA -1.655 59.644 61.300 -0.002 0.000 1.142 157 I CB 0.558 38.461 38.000 -0.162 0.000 1.262 157 I HN 0.053 8.199 8.210 0.079 0.111 0.483 158 S N 3.071 118.835 115.700 0.106 0.000 2.387 158 S HA -0.333 nan 4.470 nan 0.000 0.230 158 S C 1.423 176.061 174.600 0.063 0.000 1.035 158 S CA 3.416 61.684 58.200 0.114 0.000 1.014 158 S CB -0.508 62.782 63.200 0.151 0.000 0.836 158 S HN -0.327 8.056 8.310 0.123 0.000 0.466 159 E N 0.246 120.482 120.200 0.059 0.000 2.382 159 E HA -0.022 nan 4.350 nan 0.000 0.190 159 E C -0.044 176.351 176.600 -0.342 0.000 1.125 159 E CA 0.808 57.150 56.400 -0.096 0.000 0.929 159 E CB -1.467 28.151 29.700 -0.136 0.000 1.053 159 E HN 0.259 8.672 8.360 0.114 0.016 0.475 160 H N -3.458 115.565 119.070 -0.078 0.000 3.007 160 H HA 0.189 nan 4.556 nan 0.000 0.251 160 H C -1.709 173.534 175.328 -0.141 0.000 1.188 160 H CA -0.188 55.799 56.048 -0.102 0.000 1.017 160 H CB 1.209 30.898 29.762 -0.122 0.000 1.805 160 H HN -0.166 8.021 8.280 0.039 0.117 0.659 161 V N -5.517 114.365 119.914 -0.053 0.000 2.623 161 V HA 0.554 nan 4.120 nan 0.000 0.304 161 V C -1.099 175.108 176.094 0.188 0.000 1.054 161 V CA -1.863 60.411 62.300 -0.043 0.000 0.882 161 V CB 1.586 33.149 31.823 -0.433 0.000 1.002 161 V HN -0.718 7.453 8.190 -0.032 0.000 0.424 162 T N 6.921 121.589 114.554 0.191 0.000 2.943 162 T HA 0.486 nan 4.350 nan 0.000 0.284 162 T C -2.044 172.729 174.700 0.121 0.000 1.015 162 T CA -1.153 61.038 62.100 0.151 0.000 1.042 162 T CB 1.692 70.596 68.868 0.060 0.000 1.055 162 T HN 0.624 8.840 8.240 0.138 0.107 0.500 163 L N 2.705 123.866 121.223 -0.104 0.000 2.313 163 L HA 0.607 nan 4.340 nan 0.000 0.283 163 L C -1.940 174.814 176.870 -0.193 0.000 1.013 163 L CA -1.475 53.086 54.840 -0.465 0.000 0.816 163 L CB 2.330 43.874 42.059 -0.858 0.000 1.236 163 L HN 0.417 8.622 8.230 -0.042 0.000 0.419 164 E N 4.981 125.097 120.200 -0.140 0.000 2.214 164 E HA 0.781 nan 4.350 nan 0.000 0.274 164 E C -1.668 174.937 176.600 0.008 0.000 0.977 164 E CA -1.741 54.647 56.400 -0.019 0.000 0.827 164 E CB 2.913 32.618 29.700 0.008 0.000 1.130 164 E HN 0.740 8.879 8.360 -0.183 0.111 0.394 165 L N 0.568 121.837 121.223 0.076 0.000 2.540 165 L HA 0.723 nan 4.340 nan 0.000 0.256 165 L C -2.632 174.331 176.870 0.155 0.000 1.001 165 L CA -0.663 54.251 54.840 0.123 0.000 0.843 165 L CB 4.409 46.536 42.059 0.113 0.000 1.436 165 L HN 0.385 8.674 8.230 0.098 0.000 0.410 166 N N -0.555 118.163 118.700 0.029 0.000 4.574 166 N HA 0.095 nan 4.740 nan 0.000 0.208 166 N C -3.190 171.892 175.510 -0.713 0.000 1.237 166 N CA 0.426 53.299 53.050 -0.294 0.000 0.836 166 N CB 1.999 40.433 38.487 -0.089 0.000 1.504 166 N HN -0.144 8.242 8.380 0.010 0.000 0.492 167 S N 0.366 115.484 115.700 -0.970 0.000 2.482 167 S HA 0.679 nan 4.470 nan 0.000 0.303 167 S C 0.260 174.690 174.600 -0.284 0.000 1.091 167 S CA -2.761 55.051 58.200 -0.646 0.000 1.057 167 S CB 1.268 64.027 63.200 -0.736 0.000 1.031 167 S HN 0.175 7.948 8.310 -0.896 0.000 0.485 168 I N 0.764 121.241 120.570 -0.155 0.000 3.889 168 I HA 0.456 nan 4.170 nan 0.000 0.332 168 I C 0.282 176.378 176.117 -0.034 0.000 1.493 168 I CA -1.363 59.896 61.300 -0.069 0.000 1.158 168 I CB -0.651 37.334 38.000 -0.025 0.000 1.117 168 I HN 0.510 8.635 8.210 -0.141 0.000 0.411 230 D N -0.980 119.441 120.400 0.035 0.000 2.329 230 D HA 0.002 nan 4.640 nan 0.000 0.246 230 D C 0.958 177.287 176.300 0.049 0.000 1.111 230 D CA -0.717 53.305 54.000 0.037 0.000 0.941 230 D CB 1.514 42.331 40.800 0.029 0.000 1.169 230 D HN -0.141 8.246 8.370 0.029 0.000 0.441 231 E N 1.517 121.744 120.200 0.046 0.000 2.048 231 E HA -0.553 nan 4.350 nan 0.000 0.202 231 E C 1.727 178.366 176.600 0.065 0.000 1.021 231 E CA 3.325 59.756 56.400 0.052 0.000 0.825 231 E CB -0.963 28.762 29.700 0.041 0.000 0.756 231 E HN 0.477 8.860 8.360 0.038 0.000 0.454 232 E N 0.794 121.030 120.200 0.059 0.000 2.085 232 E HA -0.300 nan 4.350 nan 0.000 0.194 232 E C 2.431 179.094 176.600 0.104 0.000 0.994 232 E CA 2.976 59.420 56.400 0.072 0.000 0.801 232 E CB -0.575 29.154 29.700 0.049 0.000 0.743 232 E HN 0.330 8.718 8.360 0.047 0.000 0.453 233 S N -0.137 115.614 115.700 0.085 0.000 2.402 233 S HA -0.261 nan 4.470 nan 0.000 0.229 233 S C 2.331 177.044 174.600 0.189 0.000 1.021 233 S CA 3.163 61.427 58.200 0.106 0.000 0.974 233 S CB -0.247 62.981 63.200 0.048 0.000 0.800 233 S HN -0.566 7.977 8.310 0.062 -0.196 0.484 234 R N 1.419 122.014 120.500 0.158 0.000 2.066 234 R HA -0.305 nan 4.340 nan 0.000 0.232 234 R C 2.291 178.689 176.300 0.163 0.000 1.131 234 R CA 3.810 60.019 56.100 0.182 0.000 0.955 234 R CB -0.097 30.276 30.300 0.122 0.000 0.851 234 R HN -0.303 7.916 8.270 0.116 0.120 0.432 235 E N -0.795 119.481 120.200 0.128 0.000 2.058 235 E HA -0.399 nan 4.350 nan 0.000 0.194 235 E C 2.276 178.942 176.600 0.111 0.000 0.997 235 E CA 3.293 59.749 56.400 0.094 0.000 0.801 235 E CB -0.384 29.367 29.700 0.084 0.000 0.746 235 E HN -0.101 8.330 8.360 0.119 0.000 0.450 236 H N 0.583 119.701 119.070 0.081 0.000 2.352 236 H HA -0.266 nan 4.556 nan 0.000 0.299 236 H C 2.238 177.653 175.328 0.144 0.000 1.097 236 H CA 3.618 59.720 56.048 0.090 0.000 1.311 236 H CB 0.525 30.340 29.762 0.088 0.000 1.377 236 H HN -0.268 8.171 8.280 0.265 0.000 0.504 237 F N 0.012 120.032 119.950 0.116 0.000 2.186 237 F HA -0.290 nan 4.527 nan 0.000 0.299 237 F C 0.964 176.734 175.800 -0.049 0.000 1.090 237 F CA 1.360 59.384 58.000 0.039 0.000 1.307 237 F CB -0.451 38.582 39.000 0.056 0.000 1.019 237 F HN 0.068 8.518 8.300 0.428 0.107 0.489 238 A N -0.683 122.075 122.820 -0.103 0.000 1.858 238 A HA -0.373 nan 4.320 nan 0.000 0.216 238 A C 2.050 179.514 177.584 -0.200 0.000 1.190 238 A CA 3.470 55.380 52.037 -0.213 0.000 0.617 238 A CB -0.998 17.951 19.000 -0.085 0.000 0.827 238 A HN 0.446 8.637 8.150 0.067 0.000 0.443 239 G N -1.922 106.794 108.800 -0.139 0.000 2.469 239 G HA2 -0.361 nan 3.960 nan 0.000 0.220 239 G HA3 -0.361 nan 3.960 nan 0.000 0.220 239 G C 1.055 175.843 174.900 -0.188 0.000 1.136 239 G CA 1.969 46.980 45.100 -0.148 0.000 0.759 239 G HN 0.081 8.317 8.290 -0.091 0.000 0.562 240 L N 0.712 121.802 121.223 -0.223 0.000 2.017 240 L HA -0.224 nan 4.340 nan 0.000 0.208 240 L C 1.702 178.392 176.870 -0.300 0.000 1.073 240 L CA 2.993 57.703 54.840 -0.217 0.000 0.745 240 L CB -0.168 41.824 42.059 -0.113 0.000 0.894 240 L HN -0.622 7.388 8.230 -0.211 0.094 0.432 241 C N -0.784 118.252 119.300 -0.439 0.000 2.413 241 C HA -0.447 nan 4.460 nan 0.000 0.276 241 C C 2.252 177.098 174.990 -0.240 0.000 1.248 241 C CA 4.515 63.196 59.018 -0.562 0.000 1.742 241 C CB -2.132 25.274 27.740 -0.558 0.000 2.017 241 C HN -0.074 7.874 8.230 -0.469 0.000 0.481 242 K N -0.833 119.467 120.400 -0.167 0.000 2.097 242 K HA -0.221 nan 4.320 nan 0.000 0.205 242 K C 2.491 179.052 176.600 -0.065 0.000 1.050 242 K CA 2.307 58.546 56.287 -0.079 0.000 0.938 242 K CB -1.065 31.390 32.500 -0.076 0.000 0.718 242 K HN 0.109 8.226 8.250 -0.205 0.009 0.442 243 L N -0.301 120.863 121.223 -0.097 0.000 2.093 243 L HA -0.295 nan 4.340 nan 0.000 0.208 243 L C 2.170 179.005 176.870 -0.058 0.000 1.085 243 L CA 2.908 57.703 54.840 -0.074 0.000 0.755 243 L CB -0.158 41.847 42.059 -0.089 0.000 0.904 243 L HN -0.334 7.727 8.230 -0.134 0.089 0.435 244 L N -1.385 119.785 121.223 -0.088 0.000 1.994 244 L HA -0.457 nan 4.340 nan 0.000 0.208 244 L C 2.453 179.360 176.870 0.062 0.000 1.071 244 L CA 3.607 58.421 54.840 -0.042 0.000 0.745 244 L CB -1.353 40.613 42.059 -0.155 0.000 0.892 244 L HN -0.070 8.062 8.230 -0.148 0.010 0.431 245 E N -0.576 119.691 120.200 0.112 0.000 2.070 245 E HA -0.420 nan 4.350 nan 0.000 0.197 245 E C 3.298 179.920 176.600 0.036 0.000 1.004 245 E CA 3.274 59.735 56.400 0.101 0.000 0.805 245 E CB -0.296 29.459 29.700 0.092 0.000 0.744 245 E HN 0.014 8.432 8.360 0.097 0.000 0.451 246 S N 1.128 116.836 115.700 0.013 0.000 2.359 246 S HA -0.325 nan 4.470 nan 0.000 0.224 246 S C 1.683 176.284 174.600 0.002 0.000 1.035 246 S CA 2.628 60.827 58.200 -0.000 0.000 1.018 246 S CB -0.041 63.151 63.200 -0.012 0.000 0.876 246 S HN -0.208 8.106 8.310 0.007 0.000 0.448 247 A N -1.576 121.247 122.820 0.004 0.000 2.172 247 A HA -0.055 nan 4.320 nan 0.000 0.216 247 A C 0.536 178.132 177.584 0.019 0.000 1.154 247 A CA 0.277 52.317 52.037 0.006 0.000 0.701 247 A CB -0.185 18.816 19.000 0.002 0.000 0.789 247 A HN -0.345 7.731 8.150 0.001 0.075 0.465 248 G N -0.727 108.089 108.800 0.028 0.000 2.176 248 G HA2 -0.302 nan 3.960 nan 0.000 0.252 248 G HA3 -0.302 nan 3.960 nan 0.000 0.252 248 G C -0.337 174.595 174.900 0.054 0.000 1.024 248 G CA 0.163 45.281 45.100 0.030 0.000 0.755 248 G HN -0.182 7.913 8.290 0.029 0.212 0.507 249 I N 1.268 121.885 120.570 0.078 0.000 2.304 249 I HA -0.073 nan 4.170 nan 0.000 0.291 249 I C -1.251 174.947 176.117 0.136 0.000 1.018 249 I CA -0.487 60.884 61.300 0.119 0.000 1.260 249 I CB 0.491 38.560 38.000 0.115 0.000 1.390 249 I HN -0.380 7.852 8.210 0.073 0.022 0.475 250 A N 9.101 131.982 122.820 0.101 0.000 2.396 250 A HA 0.153 nan 4.320 nan 0.000 0.279 250 A C -1.584 176.026 177.584 0.043 0.000 1.165 250 A CA -0.126 51.924 52.037 0.022 0.000 0.824 250 A CB 0.284 19.285 19.000 0.002 0.000 1.100 250 A HN 0.388 8.610 8.150 0.120 0.000 0.516 251 Y N -0.004 120.252 120.300 -0.073 0.000 2.659 251 Y HA 0.720 nan 4.550 nan 0.000 0.333 251 Y C -1.287 174.572 175.900 -0.068 0.000 1.064 251 Y CA -2.741 55.296 58.100 -0.106 0.000 1.141 251 Y CB 1.870 40.251 38.460 -0.131 0.000 1.316 251 Y HN -0.183 7.875 8.280 -0.370 0.000 0.509 252 T N 2.912 117.564 114.554 0.163 0.000 3.050 252 T HA 0.295 nan 4.350 nan 0.000 0.310 252 T C -1.837 172.978 174.700 0.192 0.000 0.978 252 T CA 0.047 62.201 62.100 0.090 0.000 1.013 252 T CB 1.358 70.242 68.868 0.027 0.000 1.000 252 T HN 0.040 8.409 8.240 0.214 0.000 0.447 253 V N 4.052 124.105 119.914 0.232 0.000 2.508 253 V HA 0.243 nan 4.120 nan 0.000 0.281 253 V C -0.637 175.545 176.094 0.146 0.000 1.041 253 V CA -0.205 62.243 62.300 0.247 0.000 1.016 253 V CB -0.240 31.755 31.823 0.287 0.000 0.984 253 V HN 0.314 8.619 8.190 0.192 0.000 0.478 254 N N 7.897 126.668 118.700 0.119 0.000 2.491 254 N HA 0.239 nan 4.740 nan 0.000 0.274 254 N C 0.596 176.135 175.510 0.048 0.000 1.023 254 N CA -1.169 51.922 53.050 0.067 0.000 0.902 254 N CB 2.308 40.822 38.487 0.045 0.000 1.267 254 N HN 0.740 9.094 8.380 0.135 0.107 0.503 255 Q N 6.119 125.947 119.800 0.046 0.000 2.224 255 Q HA -0.151 nan 4.340 nan 0.000 0.203 255 Q C 1.016 177.022 176.000 0.011 0.000 0.970 255 Q CA 2.328 58.149 55.803 0.029 0.000 0.865 255 Q CB -0.146 28.614 28.738 0.035 0.000 0.922 255 Q HN 0.603 8.903 8.270 0.051 0.000 0.445 256 R N -3.758 116.749 120.500 0.011 0.000 2.334 256 R HA 0.126 nan 4.340 nan 0.000 0.220 256 R C -0.305 175.994 176.300 -0.002 0.000 0.917 256 R CA -0.482 55.621 56.100 0.005 0.000 1.073 256 R CB -0.162 30.142 30.300 0.008 0.000 1.056 256 R HN -0.337 8.190 8.270 0.018 -0.246 0.506 257 L N 2.761 123.980 121.223 -0.007 0.000 2.407 257 L HA 0.053 nan 4.340 nan 0.000 0.282 257 L C -1.641 175.207 176.870 -0.037 0.000 1.110 257 L CA 0.914 55.742 54.840 -0.020 0.000 0.863 257 L CB -0.416 41.632 42.059 -0.018 0.000 1.207 257 L HN -0.611 7.445 8.230 -0.003 0.172 0.454 258 V N 5.411 125.308 119.914 -0.029 0.000 2.760 258 V HA 0.213 nan 4.120 nan 0.000 0.309 258 V C -1.052 175.031 176.094 -0.019 0.000 1.077 258 V CA -1.126 61.159 62.300 -0.025 0.000 0.910 258 V CB 3.221 35.042 31.823 -0.002 0.000 1.008 258 V HN -0.142 8.037 8.190 -0.019 0.000 0.424 259 R N 3.858 124.349 120.500 -0.016 0.000 2.707 259 R HA 0.112 nan 4.340 nan 0.000 0.270 259 R C 0.995 177.333 176.300 0.063 0.000 1.083 259 R CA -0.090 56.024 56.100 0.023 0.000 1.182 259 R CB 0.432 30.759 30.300 0.046 0.000 1.084 259 R HN 0.234 8.493 8.270 -0.019 0.000 0.528 260 G N -0.218 108.617 108.800 0.058 0.000 2.744 260 G HA2 -0.056 nan 3.960 nan 0.000 0.211 260 G HA3 -0.056 nan 3.960 nan 0.000 0.211 260 G C -0.871 174.020 174.900 -0.015 0.000 1.143 260 G CA 0.128 45.243 45.100 0.026 0.000 0.788 260 G HN 0.298 8.628 8.290 0.067 0.000 0.534 261 L N -0.607 120.586 121.223 -0.050 0.000 2.322 261 L HA 0.126 nan 4.340 nan 0.000 0.279 261 L C -0.435 176.216 176.870 -0.365 0.000 1.036 261 L CA -0.825 53.813 54.840 -0.337 0.000 0.807 261 L CB 0.975 42.553 42.059 -0.801 0.000 1.226 261 L HN -0.855 7.367 8.230 0.083 0.059 0.433 262 D N 2.998 123.197 120.400 -0.335 0.000 2.325 262 D HA 0.034 nan 4.640 nan 0.000 0.234 262 D C 0.269 176.490 176.300 -0.131 0.000 1.122 262 D CA 1.466 55.367 54.000 -0.165 0.000 0.850 262 D CB -0.247 40.516 40.800 -0.061 0.000 0.921 262 D HN 0.196 8.379 8.370 -0.311 0.000 0.513 263 Y N -6.316 113.862 120.300 -0.202 0.000 2.467 263 Y HA 0.137 nan 4.550 nan 0.000 0.250 263 Y C -1.646 174.190 175.900 -0.107 0.000 1.155 263 Y CA -2.386 55.608 58.100 -0.176 0.000 1.249 263 Y CB -1.012 37.317 38.460 -0.218 0.000 1.146 263 Y HN -0.689 6.861 8.280 -1.095 0.073 0.524 264 Y N 1.014 121.490 120.300 0.294 0.000 2.377 264 Y HA -0.132 nan 4.550 nan 0.000 0.330 264 Y C -0.029 175.965 175.900 0.157 0.000 1.108 264 Y CA 0.379 58.640 58.100 0.268 0.000 1.308 264 Y CB 0.211 38.755 38.460 0.141 0.000 1.216 264 Y HN -0.649 7.558 8.280 -0.121 0.000 0.518 265 N N 5.492 124.381 118.700 0.316 0.000 2.395 265 N HA -0.037 nan 4.740 nan 0.000 0.237 265 N C 0.319 175.879 175.510 0.083 0.000 1.063 265 N CA 0.316 53.460 53.050 0.157 0.000 1.187 265 N CB 0.797 39.346 38.487 0.104 0.000 1.551 265 N HN 0.397 8.872 8.380 0.375 0.130 0.621 266 R N 0.606 121.125 120.500 0.032 0.000 2.104 266 R HA -0.109 nan 4.340 nan 0.000 0.219 266 R C 0.869 177.151 176.300 -0.031 0.000 1.150 266 R CA 2.875 58.960 56.100 -0.025 0.000 0.900 266 R CB 0.095 30.340 30.300 -0.092 0.000 0.804 266 R HN 0.228 8.514 8.270 0.026 0.000 0.448 267 T N 0.434 115.014 114.554 0.043 0.000 2.888 267 T HA 0.175 nan 4.350 nan 0.000 0.301 267 T C -1.067 173.650 174.700 0.029 0.000 1.001 267 T CA 2.166 64.309 62.100 0.072 0.000 1.147 267 T CB -0.438 68.569 68.868 0.232 0.000 0.931 267 T HN -0.097 8.189 8.240 0.076 0.000 0.541 268 V N 1.076 120.970 119.914 -0.032 0.000 2.668 268 V HA 0.999 nan 4.120 nan 0.000 0.304 268 V C -2.444 173.644 176.094 -0.010 0.000 1.071 268 V CA -2.308 59.890 62.300 -0.170 0.000 0.894 268 V CB 1.462 33.128 31.823 -0.261 0.000 1.008 268 V HN 0.150 8.308 8.190 -0.054 0.000 0.425 269 F N 0.903 120.776 119.950 -0.129 0.000 2.675 269 F HA 0.977 nan 4.527 nan 0.000 0.324 269 F C -2.488 173.257 175.800 -0.092 0.000 1.106 269 F CA -2.502 55.424 58.000 -0.124 0.000 0.970 269 F CB 3.418 42.326 39.000 -0.154 0.000 1.385 269 F HN 0.131 8.047 8.300 -0.640 0.000 0.489 270 E N -1.166 119.156 120.200 0.202 0.000 2.481 270 E HA 0.260 nan 4.350 nan 0.000 0.301 270 E C -2.268 174.402 176.600 0.117 0.000 0.948 270 E CA -0.424 56.068 56.400 0.154 0.000 0.804 270 E CB 4.266 34.002 29.700 0.061 0.000 1.265 270 E HN -0.137 8.312 8.360 0.148 0.000 0.406 271 W N 3.757 125.199 121.300 0.236 0.000 2.390 271 W HA 0.416 nan 4.660 nan 0.000 0.312 271 W C -0.939 175.615 176.519 0.058 0.000 1.123 271 W CA -0.377 57.063 57.345 0.158 0.000 1.202 271 W CB 1.320 30.916 29.460 0.227 0.000 1.251 271 W HN 0.220 8.640 8.180 0.577 0.106 0.511 272 V N 3.061 123.113 119.914 0.231 0.000 3.074 272 V HA 0.810 nan 4.120 nan 0.000 0.314 272 V C -1.785 174.339 176.094 0.050 0.000 1.117 272 V CA -2.269 60.097 62.300 0.109 0.000 1.014 272 V CB 3.846 35.712 31.823 0.073 0.000 1.057 272 V HN 0.852 9.075 8.190 0.240 0.111 0.438 273 T N 0.449 115.012 114.554 0.014 0.000 2.906 273 T HA 0.507 nan 4.350 nan 0.000 0.295 273 T C -0.484 174.220 174.700 0.007 0.000 1.061 273 T CA -1.607 60.490 62.100 -0.004 0.000 1.000 273 T CB 1.688 70.530 68.868 -0.043 0.000 1.103 273 T HN 0.470 8.607 8.240 0.018 0.113 0.486 274 N N 4.509 123.219 118.700 0.017 0.000 2.322 274 N HA 0.347 nan 4.740 nan 0.000 0.181 274 N C 1.177 176.697 175.510 0.016 0.000 1.088 274 N CA 1.364 54.423 53.050 0.015 0.000 0.885 274 N CB 0.989 39.484 38.487 0.013 0.000 1.013 274 N HN 0.430 8.828 8.380 0.030 0.000 0.472 275 S N -0.441 115.272 115.700 0.022 0.000 2.547 275 S HA -0.117 nan 4.470 nan 0.000 0.235 275 S C -0.466 174.130 174.600 -0.007 0.000 0.980 275 S CA 0.747 58.953 58.200 0.009 0.000 0.941 275 S CB 0.426 63.621 63.200 -0.008 0.000 0.763 275 S HN -0.672 7.658 8.310 0.034 0.000 0.532 276 L N -4.072 117.147 121.223 -0.007 0.000 4.001 276 L HA -0.282 nan 4.340 nan 0.000 0.413 276 L C 0.711 177.572 176.870 -0.014 0.000 1.185 276 L CA 0.441 55.276 54.840 -0.009 0.000 0.963 276 L CB -1.963 40.093 42.059 -0.006 0.000 1.976 276 L HN -0.068 8.050 8.230 -0.003 0.111 0.939 277 G N -3.712 105.070 108.800 -0.029 0.000 2.559 277 G HA2 -0.279 nan 3.960 nan 0.000 0.216 277 G HA3 -0.279 nan 3.960 nan 0.000 0.216 277 G C -1.290 173.591 174.900 -0.033 0.000 1.126 277 G CA 0.962 46.035 45.100 -0.045 0.000 0.778 277 G HN 0.426 8.660 8.290 -0.032 0.037 0.543 278 S N -1.399 114.288 115.700 -0.023 0.000 3.986 278 S HA 0.251 nan 4.470 nan 0.000 0.228 278 S C -1.416 173.183 174.600 -0.001 0.000 1.044 278 S CA -0.466 57.730 58.200 -0.005 0.000 1.556 278 S CB 1.450 64.643 63.200 -0.012 0.000 1.056 278 S HN -0.808 7.407 8.310 -0.024 0.080 0.715 279 Q N 0.607 120.402 119.800 -0.007 0.000 2.155 279 Q HA 0.254 nan 4.340 nan 0.000 0.273 279 Q C 0.308 176.301 176.000 -0.011 0.000 0.857 279 Q CA -1.383 54.407 55.803 -0.021 0.000 1.116 279 Q CB 0.943 29.654 28.738 -0.044 0.000 1.209 279 Q HN -0.075 8.194 8.270 -0.002 0.000 0.460 280 G N -0.717 108.082 108.800 -0.003 0.000 4.240 280 G HA2 -0.294 nan 3.960 nan 0.000 0.254 280 G HA3 -0.294 nan 3.960 nan 0.000 0.254 280 G C -1.220 173.693 174.900 0.021 0.000 1.712 280 G CA 0.063 45.167 45.100 0.007 0.000 1.374 280 G HN -0.150 8.029 8.290 -0.005 0.108 0.631 281 T N 3.558 118.132 114.554 0.034 0.000 2.919 281 T HA 0.143 nan 4.350 nan 0.000 0.302 281 T C 0.280 175.023 174.700 0.073 0.000 1.031 281 T CA 0.871 63.013 62.100 0.070 0.000 1.127 281 T CB 0.422 69.334 68.868 0.074 0.000 0.952 281 T HN -0.272 7.982 8.240 0.023 0.000 0.540 282 V N 6.086 126.067 119.914 0.111 0.000 3.307 282 V HA 0.293 nan 4.120 nan 0.000 0.244 282 V C -1.473 174.749 176.094 0.213 0.000 1.196 282 V CA 1.233 63.587 62.300 0.091 0.000 1.132 282 V CB 2.045 33.845 31.823 -0.038 0.000 0.875 282 V HN 0.501 8.786 8.190 0.158 0.000 0.468 283 C N -1.953 117.549 119.300 0.337 0.000 2.888 283 C HA 0.779 nan 4.460 nan 0.000 0.308 283 C C -2.527 172.727 174.990 0.439 0.000 1.213 283 C CA -1.729 57.583 59.018 0.489 0.000 1.461 283 C CB 2.767 30.923 27.740 0.695 0.000 1.934 283 C HN -0.562 7.868 8.230 0.332 0.000 0.474 284 A N 4.488 127.532 122.820 0.374 0.000 2.566 284 A HA 0.807 nan 4.320 nan 0.000 0.297 284 A C -2.698 174.897 177.584 0.018 0.000 1.059 284 A CA -0.381 51.728 52.037 0.120 0.000 0.691 284 A CB 3.140 22.188 19.000 0.079 0.000 1.282 284 A HN 0.252 8.679 8.150 0.460 0.000 0.401 285 G N -0.842 107.630 108.800 -0.546 0.000 2.561 285 G HA2 0.833 nan 3.960 nan 0.000 0.310 285 G HA3 0.833 nan 3.960 nan 0.000 0.310 285 G C -2.491 171.894 174.900 -0.858 0.000 1.292 285 G CA -0.130 44.700 45.100 -0.449 0.000 0.811 285 G HN -0.028 7.717 8.290 -0.909 0.000 0.482 286 G N -3.238 105.391 108.800 -0.285 0.000 2.317 286 G HA2 0.297 nan 3.960 nan 0.000 0.293 286 G HA3 0.297 nan 3.960 nan 0.000 0.293 286 G C -3.272 171.863 174.900 0.391 0.000 1.287 286 G CA 0.637 45.671 45.100 -0.110 0.000 0.850 286 G HN 0.235 8.596 8.290 0.118 0.000 0.515 287 R N -0.085 120.641 120.500 0.376 0.000 2.598 287 R HA 0.865 nan 4.340 nan 0.000 0.279 287 R C -1.151 175.431 176.300 0.470 0.000 0.984 287 R CA -2.356 53.921 56.100 0.294 0.000 0.999 287 R CB 2.972 33.356 30.300 0.140 0.000 1.114 287 R HN 0.471 8.899 8.270 0.263 0.000 0.493 288 Y N 0.975 121.406 120.300 0.220 0.000 2.643 288 Y HA 0.330 nan 4.550 nan 0.000 0.290 288 Y C -1.099 174.863 175.900 0.103 0.000 1.064 288 Y CA -2.171 56.027 58.100 0.163 0.000 1.205 288 Y CB -0.724 37.778 38.460 0.070 0.000 1.130 288 Y HN 0.782 8.874 8.280 -0.312 0.000 0.593 289 D N 4.501 124.916 120.400 0.025 0.000 2.263 289 D HA -0.227 nan 4.640 nan 0.000 0.208 289 D C 1.185 177.521 176.300 0.060 0.000 0.971 289 D CA 3.899 57.898 54.000 -0.000 0.000 0.867 289 D CB -0.177 40.618 40.800 -0.007 0.000 0.929 289 D HN 0.157 8.920 8.370 0.061 -0.356 0.492 290 G N -3.505 105.357 108.800 0.103 0.000 2.887 290 G HA2 0.052 nan 3.960 nan 0.000 0.211 290 G HA3 0.052 nan 3.960 nan 0.000 0.211 290 G C 0.717 175.677 174.900 0.099 0.000 1.152 290 G CA -0.104 45.050 45.100 0.089 0.000 0.769 290 G HN -0.078 8.253 8.290 0.134 0.039 0.541 291 L N 1.664 122.982 121.223 0.159 0.000 2.127 291 L HA -0.331 nan 4.340 nan 0.000 0.211 291 L C 1.247 178.152 176.870 0.059 0.000 1.089 291 L CA 2.577 57.481 54.840 0.106 0.000 0.757 291 L CB 0.019 42.117 42.059 0.065 0.000 0.899 291 L HN -0.778 7.594 8.230 0.235 0.000 0.434 292 V N -1.853 118.110 119.914 0.081 0.000 2.358 292 V HA -0.498 nan 4.120 nan 0.000 0.246 292 V C 2.334 178.412 176.094 -0.027 0.000 1.047 292 V CA 4.186 66.488 62.300 0.003 0.000 1.035 292 V CB -0.843 30.972 31.823 -0.013 0.000 0.658 292 V HN 0.090 8.339 8.190 0.132 0.020 0.452 293 E N -0.919 119.276 120.200 -0.008 0.000 2.028 293 E HA -0.390 nan 4.350 nan 0.000 0.191 293 E C 2.268 178.854 176.600 -0.024 0.000 0.988 293 E CA 3.252 59.638 56.400 -0.023 0.000 0.799 293 E CB -0.432 29.263 29.700 -0.009 0.000 0.755 293 E HN -0.486 7.885 8.360 0.018 0.000 0.447 294 Q N 0.087 119.884 119.800 -0.006 0.000 2.268 294 Q HA -0.259 nan 4.340 nan 0.000 0.210 294 Q C 2.201 178.185 176.000 -0.028 0.000 0.988 294 Q CA 2.977 58.776 55.803 -0.007 0.000 0.883 294 Q CB -0.062 28.685 28.738 0.014 0.000 0.911 294 Q HN -0.341 7.936 8.270 0.011 0.000 0.430 295 L N -5.050 116.147 121.223 -0.043 0.000 2.653 295 L HA 0.020 nan 4.340 nan 0.000 0.231 295 L C 0.244 177.068 176.870 -0.076 0.000 1.153 295 L CA -0.332 54.468 54.840 -0.067 0.000 0.933 295 L CB -0.044 41.962 42.059 -0.087 0.000 1.175 295 L HN -0.674 7.500 8.230 -0.037 0.034 0.473 296 G N -1.448 107.311 108.800 -0.068 0.000 2.134 296 G HA2 -0.226 nan 3.960 nan 0.000 0.209 296 G HA3 -0.226 nan 3.960 nan 0.000 0.209 296 G C -0.331 174.512 174.900 -0.095 0.000 0.993 296 G CA -0.131 44.922 45.100 -0.078 0.000 0.669 296 G HN 0.199 8.256 8.290 -0.057 0.198 0.519 297 G N -1.417 107.325 108.800 -0.096 0.000 2.537 297 G HA2 0.163 nan 3.960 nan 0.000 0.308 297 G HA3 0.163 nan 3.960 nan 0.000 0.308 297 G C -2.429 172.397 174.900 -0.124 0.000 1.237 297 G CA -1.183 43.844 45.100 -0.121 0.000 0.968 297 G HN -0.523 7.719 8.290 -0.080 0.000 0.481 298 R N -1.359 119.029 120.500 -0.186 0.000 2.489 298 R HA -0.162 nan 4.340 nan 0.000 0.287 298 R C -0.167 176.094 176.300 -0.065 0.000 1.053 298 R CA -1.181 54.810 56.100 -0.182 0.000 1.036 298 R CB -0.282 29.764 30.300 -0.424 0.000 0.966 298 R HN -0.105 8.022 8.270 -0.237 0.000 0.432 299 A N 6.915 129.721 122.820 -0.024 0.000 2.567 299 A HA -0.136 nan 4.320 nan 0.000 0.240 299 A C -1.220 176.396 177.584 0.053 0.000 1.053 299 A CA 1.140 53.187 52.037 0.017 0.000 0.755 299 A CB 0.845 19.858 19.000 0.021 0.000 0.978 299 A HN 0.440 8.569 8.150 -0.035 0.000 0.507 300 T N 5.116 119.706 114.554 0.060 0.000 2.923 300 T HA 0.319 nan 4.350 nan 0.000 0.311 300 T C -3.156 171.596 174.700 0.088 0.000 1.183 300 T CA -1.519 60.634 62.100 0.088 0.000 1.020 300 T CB 2.726 71.653 68.868 0.100 0.000 1.165 300 T HN 0.178 8.449 8.240 0.052 0.000 0.482 301 P HA 0.339 nan 4.420 nan 0.000 0.279 301 P C -2.358 174.943 177.300 0.001 0.000 1.252 301 P CA -1.061 62.051 63.100 0.021 0.000 0.811 301 P CB 0.985 32.695 31.700 0.016 0.000 1.035 302 A N -1.423 121.268 122.820 -0.214 0.000 2.594 302 A HA 0.759 nan 4.320 nan 0.000 0.296 302 A C -2.917 174.198 177.584 -0.781 0.000 1.061 302 A CA -0.167 51.561 52.037 -0.515 0.000 0.689 302 A CB 3.478 22.182 19.000 -0.493 0.000 1.280 302 A HN -0.091 8.154 8.150 -0.230 -0.234 0.406 303 V N -0.362 119.215 119.914 -0.561 0.000 3.204 303 V HA 0.827 nan 4.120 nan 0.000 0.298 303 V C -2.371 173.797 176.094 0.123 0.000 1.328 303 V CA -1.919 60.307 62.300 -0.122 0.000 1.035 303 V CB 4.396 36.256 31.823 0.062 0.000 1.095 303 V HN 0.162 8.020 8.190 -0.552 0.000 0.442 304 G N 1.228 110.263 108.800 0.391 0.000 2.325 304 G HA2 0.758 nan 3.960 nan 0.000 0.295 304 G HA3 0.758 nan 3.960 nan 0.000 0.295 304 G C -3.506 171.682 174.900 0.479 0.000 1.274 304 G CA 1.087 46.410 45.100 0.371 0.000 0.857 304 G HN 0.101 8.671 8.290 0.467 0.000 0.499 305 F N -5.126 114.998 119.950 0.291 0.000 2.877 305 F HA 1.035 nan 4.527 nan 0.000 0.319 305 F C -3.228 172.729 175.800 0.260 0.000 1.174 305 F CA -2.025 56.124 58.000 0.249 0.000 0.903 305 F CB 2.437 41.624 39.000 0.312 0.000 1.357 305 F HN 0.616 8.717 8.300 -0.332 0.000 0.472 306 A N -3.196 119.795 122.820 0.285 0.000 2.574 306 A HA 0.884 nan 4.320 nan 0.000 0.297 306 A C -3.008 174.848 177.584 0.454 0.000 1.062 306 A CA -0.377 51.791 52.037 0.220 0.000 0.686 306 A CB 3.371 22.522 19.000 0.251 0.000 1.285 306 A HN 0.459 8.920 8.150 0.519 0.000 0.403 307 M N 1.417 121.261 119.600 0.408 0.000 2.535 307 M HA 0.722 nan 4.480 nan 0.000 0.314 307 M C -1.174 175.291 176.300 0.276 0.000 1.153 307 M CA -1.867 53.663 55.300 0.383 0.000 0.924 307 M CB 4.471 37.327 32.600 0.426 0.000 1.710 307 M HN 0.833 9.309 8.290 0.311 0.000 0.451 308 G N 2.958 111.894 108.800 0.227 0.000 2.519 308 G HA2 0.253 nan 3.960 nan 0.000 0.306 308 G HA3 0.253 nan 3.960 nan 0.000 0.306 308 G C -0.384 174.598 174.900 0.136 0.000 0.965 308 G CA -0.415 44.807 45.100 0.204 0.000 1.291 308 G HN 0.347 8.768 8.290 0.218 0.000 0.450 309 L N 5.168 126.483 121.223 0.153 0.000 2.129 309 L HA -0.551 nan 4.340 nan 0.000 0.212 309 L C 1.637 178.414 176.870 -0.155 0.000 1.087 309 L CA 3.185 58.006 54.840 -0.032 0.000 0.757 309 L CB -0.573 41.521 42.059 0.058 0.000 0.896 309 L HN -0.331 8.047 8.230 0.247 0.000 0.434 310 E N -2.303 117.971 120.200 0.125 0.000 2.106 310 E HA -0.306 nan 4.350 nan 0.000 0.192 310 E C 2.775 179.394 176.600 0.033 0.000 0.984 310 E CA 2.854 59.335 56.400 0.135 0.000 0.806 310 E CB -0.888 28.984 29.700 0.286 0.000 0.750 310 E HN 0.259 8.752 8.360 0.266 0.027 0.458 311 R N -0.739 119.792 120.500 0.052 0.000 2.070 311 R HA -0.232 nan 4.340 nan 0.000 0.232 311 R C 2.368 178.611 176.300 -0.094 0.000 1.138 311 R CA 1.757 57.862 56.100 0.007 0.000 0.936 311 R CB -0.877 29.434 30.300 0.018 0.000 0.839 311 R HN -0.310 7.919 8.270 0.095 0.098 0.429 312 L N 0.142 121.283 121.223 -0.137 0.000 1.978 312 L HA -0.339 nan 4.340 nan 0.000 0.218 312 L C 1.888 178.572 176.870 -0.311 0.000 1.075 312 L CA 3.324 58.030 54.840 -0.223 0.000 0.767 312 L CB -0.583 41.343 42.059 -0.222 0.000 0.890 312 L HN -0.035 8.144 8.230 -0.086 0.000 0.434 313 V N -1.828 117.832 119.914 -0.425 0.000 2.469 313 V HA -0.483 nan 4.120 nan 0.000 0.251 313 V C 2.358 178.284 176.094 -0.279 0.000 1.064 313 V CA 4.298 66.300 62.300 -0.496 0.000 1.066 313 V CB -1.056 30.276 31.823 -0.819 0.000 0.667 313 V HN 0.101 7.903 8.190 -0.466 0.109 0.461 314 L N -1.514 119.603 121.223 -0.177 0.000 2.068 314 L HA -0.295 nan 4.340 nan 0.000 0.204 314 L C 2.041 178.832 176.870 -0.132 0.000 1.076 314 L CA 3.016 57.799 54.840 -0.096 0.000 0.753 314 L CB -0.123 41.923 42.059 -0.022 0.000 0.910 314 L HN -0.542 7.455 8.230 -0.169 0.132 0.439 315 L N -0.701 120.421 121.223 -0.168 0.000 2.012 315 L HA -0.345 nan 4.340 nan 0.000 0.210 315 L C 1.767 178.486 176.870 -0.251 0.000 1.073 315 L CA 3.321 58.039 54.840 -0.204 0.000 0.748 315 L CB -0.710 41.211 42.059 -0.229 0.000 0.891 315 L HN 0.187 8.139 8.230 -0.168 0.177 0.431 316 V N -1.080 118.663 119.914 -0.286 0.000 2.237 316 V HA -0.578 nan 4.120 nan 0.000 0.245 316 V C 2.079 178.021 176.094 -0.253 0.000 1.046 316 V CA 4.896 66.995 62.300 -0.336 0.000 1.007 316 V CB -0.865 30.665 31.823 -0.489 0.000 0.638 316 V HN 0.284 8.299 8.190 -0.292 0.000 0.445 317 Q N -1.202 118.482 119.800 -0.194 0.000 2.308 317 Q HA -0.422 nan 4.340 nan 0.000 0.209 317 Q C 1.868 177.816 176.000 -0.087 0.000 0.985 317 Q CA 2.838 58.583 55.803 -0.098 0.000 0.881 317 Q CB -0.407 28.297 28.738 -0.057 0.000 0.917 317 Q HN -0.298 7.843 8.270 -0.216 0.000 0.443 318 A N -1.417 121.328 122.820 -0.124 0.000 1.871 318 A HA -0.014 nan 4.320 nan 0.000 0.211 318 A C 1.513 179.002 177.584 -0.160 0.000 1.207 318 A CA 1.788 53.755 52.037 -0.116 0.000 0.620 318 A CB 0.309 19.240 19.000 -0.116 0.000 0.860 318 A HN -0.533 7.368 8.150 -0.155 0.155 0.450 319 V N -0.738 119.017 119.914 -0.265 0.000 2.332 319 V HA -0.245 nan 4.120 nan 0.000 0.248 319 V C 0.416 176.396 176.094 -0.189 0.000 1.055 319 V CA 2.424 64.499 62.300 -0.375 0.000 1.038 319 V CB -0.058 31.420 31.823 -0.574 0.000 0.651 319 V HN 0.027 8.051 8.190 -0.277 0.000 0.450 320 N N -3.199 115.419 118.700 -0.137 0.000 2.609 320 N HA 0.390 nan 4.740 nan 0.000 0.268 320 N C -2.137 173.378 175.510 0.009 0.000 1.106 320 N CA -2.160 50.863 53.050 -0.045 0.000 0.823 320 N CB 0.942 39.422 38.487 -0.012 0.000 1.263 320 N HN -0.269 8.009 8.380 -0.170 0.000 0.533 321 P HA -0.107 nan 4.420 nan 0.000 0.237 321 P C -0.203 177.137 177.300 0.067 0.000 1.178 321 P CA 1.401 64.524 63.100 0.038 0.000 0.766 321 P CB 0.159 31.869 31.700 0.017 0.000 0.876 322 E N -3.874 116.372 120.200 0.076 0.000 2.511 322 E HA -0.111 nan 4.350 nan 0.000 0.196 322 E C -0.512 176.157 176.600 0.115 0.000 1.066 322 E CA 0.815 57.259 56.400 0.074 0.000 0.871 322 E CB -0.586 29.151 29.700 0.062 0.000 0.863 322 E HN 0.203 8.504 8.360 0.065 0.098 0.520 323 F N 0.175 120.109 119.950 -0.027 0.000 2.396 323 F HA 0.039 nan 4.527 nan 0.000 0.343 323 F C -0.675 175.114 175.800 -0.019 0.000 1.104 323 F CA 0.543 58.525 58.000 -0.029 0.000 1.161 323 F CB 1.192 40.163 39.000 -0.047 0.000 1.146 323 F HN -0.752 7.596 8.300 0.240 0.096 0.522 324 K N 4.519 124.736 120.400 -0.304 0.000 2.548 324 K HA 0.249 nan 4.320 nan 0.000 0.282 324 K C -2.177 174.249 176.600 -0.289 0.000 1.006 324 K CA -1.092 55.092 56.287 -0.171 0.000 0.892 324 K CB 3.020 35.457 32.500 -0.104 0.000 1.499 324 K HN -0.118 7.696 8.250 -0.726 0.000 0.433 325 A N 0.594 123.337 122.820 -0.128 0.000 2.322 325 A HA 0.337 nan 4.320 nan 0.000 0.327 325 A C -1.709 175.838 177.584 -0.062 0.000 1.134 325 A CA -0.831 51.145 52.037 -0.102 0.000 0.831 325 A CB 1.171 20.161 19.000 -0.016 0.000 1.288 325 A HN 0.116 8.230 8.150 -0.059 0.000 0.472 326 D N 1.572 121.944 120.400 -0.046 0.000 2.423 326 D HA 0.080 nan 4.640 nan 0.000 0.238 326 D C -0.562 175.744 176.300 0.011 0.000 1.142 326 D CA -1.038 52.950 54.000 -0.020 0.000 0.884 326 D CB -0.243 40.550 40.800 -0.011 0.000 1.199 326 D HN 0.088 8.428 8.370 -0.051 0.000 0.438 327 P HA 0.089 nan 4.420 nan 0.000 0.272 327 P C 0.041 177.383 177.300 0.070 0.000 1.254 327 P CA -0.535 62.598 63.100 0.056 0.000 0.795 327 P CB 0.883 32.620 31.700 0.061 0.000 1.022 328 V N -7.566 112.414 119.914 0.109 0.000 2.725 328 V HA 0.152 nan 4.120 nan 0.000 0.247 328 V C 0.268 176.403 176.094 0.069 0.000 1.058 328 V CA 0.756 63.112 62.300 0.094 0.000 1.080 328 V CB 0.054 31.953 31.823 0.125 0.000 0.713 328 V HN 0.328 8.604 8.190 0.144 0.000 0.465 329 V N -0.940 119.043 119.914 0.114 0.000 2.540 329 V HA 0.169 nan 4.120 nan 0.000 0.302 329 V C -0.870 175.287 176.094 0.104 0.000 1.035 329 V CA -0.820 61.537 62.300 0.094 0.000 0.873 329 V CB 1.319 33.224 31.823 0.137 0.000 0.992 329 V HN -0.872 7.416 8.190 0.164 0.000 0.428 330 D N 4.623 125.068 120.400 0.075 0.000 2.414 330 D HA 0.264 nan 4.640 nan 0.000 0.237 330 D C -0.066 176.290 176.300 0.093 0.000 0.975 330 D CA 1.831 55.874 54.000 0.072 0.000 0.917 330 D CB 2.389 43.216 40.800 0.046 0.000 1.061 330 D HN 0.751 9.034 8.370 0.053 0.119 0.480 331 I N -1.881 118.741 120.570 0.086 0.000 2.433 331 I HA 0.330 nan 4.170 nan 0.000 0.292 331 I C -2.360 173.836 176.117 0.133 0.000 1.001 331 I CA -0.693 60.669 61.300 0.104 0.000 1.119 331 I CB 2.953 40.986 38.000 0.055 0.000 1.289 331 I HN -0.278 7.968 8.210 0.061 0.000 0.438 332 Y N 8.247 128.574 120.300 0.045 0.000 2.341 332 Y HA 0.461 nan 4.550 nan 0.000 0.337 332 Y C -2.386 173.520 175.900 0.010 0.000 1.014 332 Y CA -1.540 56.576 58.100 0.026 0.000 1.111 332 Y CB 2.893 41.411 38.460 0.098 0.000 1.194 332 Y HN -0.097 8.352 8.280 0.282 0.000 0.462 333 L N 8.394 129.318 121.223 -0.498 0.000 2.287 333 L HA 0.429 nan 4.340 nan 0.000 0.280 333 L C -1.907 174.724 176.870 -0.400 0.000 1.055 333 L CA -1.700 52.939 54.840 -0.335 0.000 0.863 333 L CB 0.061 41.948 42.059 -0.286 0.000 1.245 333 L HN 0.773 8.406 8.230 -0.818 0.106 0.432 334 V N 8.381 128.184 119.914 -0.186 0.000 2.732 334 V HA 0.347 nan 4.120 nan 0.000 0.297 334 V C -1.532 174.465 176.094 -0.161 0.000 1.060 334 V CA -0.367 61.821 62.300 -0.187 0.000 1.038 334 V CB 0.604 32.302 31.823 -0.210 0.000 1.003 334 V HN -0.056 8.100 8.190 -0.058 0.000 0.481 335 A N 6.047 128.736 122.820 -0.218 0.000 2.555 335 A HA 0.477 nan 4.320 nan 0.000 0.297 335 A C -2.426 175.006 177.584 -0.252 0.000 1.060 335 A CA -0.046 51.897 52.037 -0.156 0.000 0.710 335 A CB 2.860 21.783 19.000 -0.128 0.000 1.282 335 A HN -0.083 8.123 8.150 -0.287 -0.227 0.399 336 S N 2.439 118.021 115.700 -0.196 0.000 2.533 336 S HA 0.293 nan 4.470 nan 0.000 0.271 336 S C -1.799 172.788 174.600 -0.022 0.000 1.143 336 S CA -0.874 57.179 58.200 -0.245 0.000 0.891 336 S CB 0.942 63.708 63.200 -0.724 0.000 1.105 336 S HN 0.291 8.577 8.310 -0.041 0.000 0.468 337 G N 1.306 110.093 108.800 -0.020 0.000 2.355 337 G HA2 -0.195 nan 3.960 nan 0.000 0.619 337 G HA3 -0.195 nan 3.960 nan 0.000 0.619 337 G C -2.338 172.567 174.900 0.009 0.000 1.337 337 G CA -0.615 44.501 45.100 0.027 0.000 0.993 337 G HN -0.207 8.047 8.290 -0.060 0.000 0.599 338 A N -0.301 122.528 122.820 0.016 0.000 2.484 338 A HA -0.023 nan 4.320 nan 0.000 0.268 338 A C -0.034 177.554 177.584 0.006 0.000 1.114 338 A CA 0.828 52.870 52.037 0.009 0.000 0.780 338 A CB -0.684 18.323 19.000 0.012 0.000 1.061 338 A HN -0.127 8.376 8.150 0.026 -0.338 0.505 339 D N 0.500 120.901 120.400 0.001 0.000 2.945 339 D HA -0.285 nan 4.640 nan 0.000 0.225 339 D C 0.797 177.096 176.300 -0.002 0.000 1.158 339 D CA 1.042 55.042 54.000 -0.000 0.000 0.805 339 D CB -2.531 38.270 40.800 0.002 0.000 1.098 339 D HN 0.581 8.951 8.370 -0.001 0.000 0.426 340 T N -4.771 109.780 114.554 -0.005 0.000 2.978 340 T HA -0.197 nan 4.350 nan 0.000 0.262 340 T C 1.495 176.184 174.700 -0.018 0.000 1.063 340 T CA 2.198 64.293 62.100 -0.009 0.000 1.140 340 T CB 0.316 69.178 68.868 -0.010 0.000 0.886 340 T HN -0.690 7.514 8.240 -0.006 0.032 0.470 341 Q N 1.954 121.744 119.800 -0.018 0.000 2.118 341 Q HA -0.439 nan 4.340 nan 0.000 0.211 341 Q C 2.143 178.140 176.000 -0.004 0.000 0.998 341 Q CA 3.425 59.221 55.803 -0.011 0.000 0.872 341 Q CB -0.778 27.968 28.738 0.012 0.000 0.925 341 Q HN 0.590 8.850 8.270 -0.016 0.000 0.414 342 S N -0.310 115.388 115.700 -0.003 0.000 2.383 342 S HA -0.265 nan 4.470 nan 0.000 0.227 342 S C 1.638 176.233 174.600 -0.008 0.000 1.026 342 S CA 2.639 60.838 58.200 -0.002 0.000 0.981 342 S CB -0.527 62.671 63.200 -0.003 0.000 0.818 342 S HN 0.179 8.487 8.310 -0.003 0.000 0.472 343 A N 1.776 124.589 122.820 -0.011 0.000 1.858 343 A HA -0.225 nan 4.320 nan 0.000 0.216 343 A C 1.598 179.168 177.584 -0.023 0.000 1.190 343 A CA 2.765 54.794 52.037 -0.013 0.000 0.617 343 A CB -1.056 17.939 19.000 -0.009 0.000 0.827 343 A HN -0.295 7.757 8.150 -0.009 0.093 0.443 344 A N -1.345 121.455 122.820 -0.034 0.000 1.892 344 A HA -0.399 nan 4.320 nan 0.000 0.218 344 A C 2.123 179.670 177.584 -0.062 0.000 1.188 344 A CA 3.202 55.203 52.037 -0.060 0.000 0.631 344 A CB -0.818 18.128 19.000 -0.091 0.000 0.822 344 A HN 0.466 8.484 8.150 -0.031 0.114 0.447 345 M N -2.030 117.545 119.600 -0.041 0.000 2.175 345 M HA -0.408 nan 4.480 nan 0.000 0.264 345 M C 2.197 178.484 176.300 -0.022 0.000 1.063 345 M CA 3.742 59.027 55.300 -0.024 0.000 1.119 345 M CB 0.098 32.708 32.600 0.016 0.000 1.377 345 M HN 0.243 8.407 8.290 -0.029 0.109 0.415 346 A N -0.090 122.720 122.820 -0.017 0.000 1.902 346 A HA -0.239 nan 4.320 nan 0.000 0.217 346 A C 1.986 179.559 177.584 -0.018 0.000 1.181 346 A CA 2.982 55.011 52.037 -0.014 0.000 0.623 346 A CB -0.764 18.230 19.000 -0.010 0.000 0.818 346 A HN 0.253 8.211 8.150 -0.016 0.183 0.443 347 L N -0.992 120.217 121.223 -0.024 0.000 2.027 347 L HA -0.333 nan 4.340 nan 0.000 0.206 347 L C 1.573 178.425 176.870 -0.030 0.000 1.074 347 L CA 2.561 57.387 54.840 -0.024 0.000 0.745 347 L CB -0.649 41.394 42.059 -0.027 0.000 0.898 347 L HN 0.221 8.354 8.230 -0.027 0.080 0.433 348 A N -1.132 121.660 122.820 -0.046 0.000 1.892 348 A HA -0.412 nan 4.320 nan 0.000 0.218 348 A C 2.223 179.785 177.584 -0.037 0.000 1.188 348 A CA 3.486 55.489 52.037 -0.056 0.000 0.631 348 A CB -1.020 17.930 19.000 -0.083 0.000 0.822 348 A HN 0.493 8.504 8.150 -0.052 0.107 0.447 349 E N -3.381 116.802 120.200 -0.028 0.000 2.153 349 E HA -0.310 nan 4.350 nan 0.000 0.194 349 E C 2.569 179.160 176.600 -0.014 0.000 0.988 349 E CA 2.944 59.332 56.400 -0.019 0.000 0.811 349 E CB -0.351 29.341 29.700 -0.014 0.000 0.746 349 E HN -0.206 8.137 8.360 -0.028 0.000 0.466 350 R N 0.033 120.525 120.500 -0.013 0.000 2.062 350 R HA -0.181 nan 4.340 nan 0.000 0.229 350 R C 2.307 178.604 176.300 -0.005 0.000 1.128 350 R CA 2.771 58.867 56.100 -0.007 0.000 0.960 350 R CB -0.170 30.127 30.300 -0.005 0.000 0.855 350 R HN -0.753 7.380 8.270 -0.015 0.127 0.432 351 L N -1.596 119.622 121.223 -0.008 0.000 2.187 351 L HA -0.376 nan 4.340 nan 0.000 0.213 351 L C 2.528 179.394 176.870 -0.005 0.000 1.100 351 L CA 3.016 57.853 54.840 -0.004 0.000 0.765 351 L CB -0.654 41.400 42.059 -0.009 0.000 0.904 351 L HN 0.336 8.558 8.230 -0.013 0.000 0.437 352 R N -1.978 118.516 120.500 -0.011 0.000 2.090 352 R HA -0.269 nan 4.340 nan 0.000 0.228 352 R C 1.597 177.894 176.300 -0.005 0.000 1.110 352 R CA 2.870 58.964 56.100 -0.010 0.000 0.973 352 R CB -0.464 29.827 30.300 -0.015 0.000 0.869 352 R HN -0.349 7.790 8.270 -0.015 0.122 0.440 353 D N -1.438 118.960 120.400 -0.003 0.000 2.097 353 D HA -0.065 nan 4.640 nan 0.000 0.195 353 D C 1.464 177.765 176.300 0.002 0.000 0.989 353 D CA 2.258 56.258 54.000 -0.001 0.000 0.827 353 D CB 0.217 41.017 40.800 -0.000 0.000 0.966 353 D HN -0.630 7.644 8.370 -0.005 0.093 0.456 354 E N -2.248 117.954 120.200 0.003 0.000 2.216 354 E HA -0.065 nan 4.350 nan 0.000 0.192 354 E C 0.675 177.280 176.600 0.007 0.000 0.988 354 E CA 1.499 57.903 56.400 0.006 0.000 0.834 354 E CB 1.062 30.768 29.700 0.009 0.000 0.772 354 E HN -0.321 8.040 8.360 0.002 0.000 0.479 355 L N 0.027 121.254 121.223 0.006 0.000 2.603 355 L HA 0.430 nan 4.340 nan 0.000 0.242 355 L C -2.501 174.372 176.870 0.005 0.000 1.169 355 L CA -2.960 51.885 54.840 0.007 0.000 1.029 355 L CB -0.317 41.748 42.059 0.010 0.000 1.361 355 L HN -0.387 7.742 8.230 0.004 0.103 0.439 356 P HA -0.045 nan 4.420 nan 0.000 0.267 356 P C 0.428 177.731 177.300 0.005 0.000 1.205 356 P CA 1.135 64.237 63.100 0.004 0.000 0.765 356 P CB 0.115 31.818 31.700 0.005 0.000 0.828 357 G N 1.353 110.156 108.800 0.004 0.000 2.176 357 G HA2 -0.354 nan 3.960 nan 0.000 0.232 357 G HA3 -0.354 nan 3.960 nan 0.000 0.232 357 G C -1.068 173.835 174.900 0.005 0.000 0.986 357 G CA -0.336 44.767 45.100 0.005 0.000 0.643 357 G HN 0.336 8.628 8.290 0.003 0.000 0.522 358 V N 1.858 121.775 119.914 0.005 0.000 2.481 358 V HA 0.029 nan 4.120 nan 0.000 0.286 358 V C -0.422 175.673 176.094 0.001 0.000 1.042 358 V CA -0.741 61.563 62.300 0.007 0.000 0.928 358 V CB 0.728 32.557 31.823 0.009 0.000 0.986 358 V HN -0.520 7.615 8.190 0.003 0.056 0.462 359 K N 7.010 127.413 120.400 0.004 0.000 2.266 359 K HA 0.238 nan 4.320 nan 0.000 0.274 359 K C -1.668 174.926 176.600 -0.011 0.000 1.090 359 K CA -1.158 55.125 56.287 -0.007 0.000 0.925 359 K CB 0.114 32.616 32.500 0.002 0.000 1.225 359 K HN -0.018 8.532 8.250 0.013 -0.293 0.458 360 L N 4.872 126.074 121.223 -0.034 0.000 2.305 360 L HA 0.672 nan 4.340 nan 0.000 0.284 360 L C -2.106 174.696 176.870 -0.112 0.000 1.013 360 L CA -1.404 53.405 54.840 -0.053 0.000 0.819 360 L CB 2.419 44.448 42.059 -0.050 0.000 1.227 360 L HN 0.270 8.477 8.230 -0.038 0.000 0.417 361 M N 7.694 127.200 119.600 -0.158 0.000 2.227 361 M HA 0.435 nan 4.480 nan 0.000 0.335 361 M C -2.070 173.940 176.300 -0.484 0.000 1.053 361 M CA -0.882 54.256 55.300 -0.270 0.000 0.973 361 M CB 3.809 36.243 32.600 -0.277 0.000 1.623 361 M HN 0.566 8.794 8.290 -0.102 0.000 0.434 362 T N 8.076 122.354 114.554 -0.460 0.000 2.728 362 T HA 0.131 nan 4.350 nan 0.000 0.296 362 T C -0.275 173.934 174.700 -0.819 0.000 0.940 362 T CA -0.154 61.575 62.100 -0.619 0.000 1.013 362 T CB -0.452 68.116 68.868 -0.499 0.000 0.912 362 T HN 0.317 8.360 8.240 -0.328 0.000 0.484 363 N N 7.877 126.079 118.700 -0.829 0.000 2.374 363 N HA -0.206 nan 4.740 nan 0.000 0.241 363 N C -0.562 174.642 175.510 -0.510 0.000 1.262 363 N CA 1.120 53.890 53.050 -0.467 0.000 0.880 363 N CB 1.014 39.347 38.487 -0.257 0.000 1.105 363 N HN -0.053 7.768 8.380 -0.932 0.000 0.438 364 H N 3.525 122.573 119.070 -0.036 0.000 2.980 364 H HA 0.156 nan 4.556 nan 0.000 0.367 364 H C 0.178 175.498 175.328 -0.013 0.000 1.206 364 H CA -0.138 55.886 56.048 -0.039 0.000 1.126 364 H CB 3.521 33.263 29.762 -0.033 0.000 1.838 364 H HN 0.355 8.669 8.280 0.056 0.000 0.552 365 G N 1.383 110.259 108.800 0.125 0.000 2.171 365 G HA2 -0.366 nan 3.960 nan 0.000 0.238 365 G HA3 -0.366 nan 3.960 nan 0.000 0.238 365 G C -0.059 174.850 174.900 0.015 0.000 1.039 365 G CA -0.060 45.074 45.100 0.056 0.000 0.759 365 G HN 0.641 9.019 8.290 0.147 0.000 0.501 366 G N -0.690 108.102 108.800 -0.014 0.000 2.582 366 G HA2 -0.383 nan 3.960 nan 0.000 0.288 366 G HA3 -0.383 nan 3.960 nan 0.000 0.288 366 G C -1.162 173.691 174.900 -0.079 0.000 1.247 366 G CA 0.299 45.362 45.100 -0.062 0.000 0.972 366 G HN -0.123 8.164 8.290 -0.005 0.000 0.557 367 G N -2.029 106.719 108.800 -0.086 0.000 2.784 367 G HA2 -0.234 nan 3.960 nan 0.000 0.686 367 G HA3 -0.234 nan 3.960 nan 0.000 0.686 367 G C -2.193 172.606 174.900 -0.168 0.000 1.156 367 G CA -0.902 44.147 45.100 -0.085 0.000 0.757 367 G HN 0.082 8.325 8.290 -0.077 0.000 0.642 368 N N -2.540 116.091 118.700 -0.115 0.000 2.347 368 N HA 0.050 nan 4.740 nan 0.000 0.253 368 N C 0.965 176.354 175.510 -0.202 0.000 1.274 368 N CA -0.923 52.046 53.050 -0.135 0.000 0.941 368 N CB 0.552 39.063 38.487 0.040 0.000 1.200 368 N HN -0.138 8.209 8.380 -0.055 0.000 0.514 369 F N -1.110 118.808 119.950 -0.053 0.000 2.202 369 F HA -0.333 nan 4.527 nan 0.000 0.301 369 F C 1.875 177.659 175.800 -0.028 0.000 1.082 369 F CA 4.441 62.356 58.000 -0.142 0.000 1.313 369 F CB -0.062 38.905 39.000 -0.054 0.000 1.024 369 F HN 0.270 8.689 8.300 0.198 0.000 0.495 370 K N -0.025 120.521 120.400 0.244 0.000 2.025 370 K HA -0.361 nan 4.320 nan 0.000 0.207 370 K C 2.095 178.782 176.600 0.145 0.000 1.049 370 K CA 3.471 59.899 56.287 0.235 0.000 0.933 370 K CB -0.256 32.343 32.500 0.165 0.000 0.714 370 K HN -0.176 8.332 8.250 0.234 -0.117 0.438 371 K N -1.035 119.403 120.400 0.064 0.000 2.026 371 K HA -0.394 nan 4.320 nan 0.000 0.208 371 K C 2.742 179.350 176.600 0.013 0.000 1.048 371 K CA 3.363 59.666 56.287 0.027 0.000 0.929 371 K CB -0.143 32.359 32.500 0.004 0.000 0.713 371 K HN -0.073 8.578 8.250 0.053 -0.369 0.439 372 Q N -1.439 118.341 119.800 -0.033 0.000 2.096 372 Q HA -0.311 nan 4.340 nan 0.000 0.204 372 Q C 2.688 178.682 176.000 -0.010 0.000 0.982 372 Q CA 2.957 58.744 55.803 -0.026 0.000 0.850 372 Q CB -0.051 28.601 28.738 -0.145 0.000 0.901 372 Q HN -0.136 8.088 8.270 -0.075 0.000 0.422 373 F N -1.030 118.964 119.950 0.074 0.000 2.216 373 F HA -0.311 nan 4.527 nan 0.000 0.300 373 F C 1.771 177.548 175.800 -0.038 0.000 1.085 373 F CA 2.226 60.255 58.000 0.049 0.000 1.326 373 F CB -0.719 38.331 39.000 0.082 0.000 1.027 373 F HN 0.010 8.308 8.300 -0.002 0.000 0.497 374 A N -1.104 121.794 122.820 0.130 0.000 1.968 374 A HA -0.260 nan 4.320 nan 0.000 0.217 374 A C 2.015 179.539 177.584 -0.100 0.000 1.169 374 A CA 3.019 55.066 52.037 0.017 0.000 0.638 374 A CB -0.740 18.266 19.000 0.009 0.000 0.812 374 A HN -0.014 8.118 8.150 0.142 0.103 0.446 375 R N -1.550 118.861 120.500 -0.150 0.000 2.115 375 R HA -0.333 nan 4.340 nan 0.000 0.230 375 R C 2.072 178.100 176.300 -0.454 0.000 1.111 375 R CA 3.217 59.156 56.100 -0.270 0.000 0.976 375 R CB -0.165 30.062 30.300 -0.122 0.000 0.870 375 R HN -0.107 8.012 8.270 -0.085 0.100 0.445 376 A N -0.458 122.017 122.820 -0.576 0.000 1.902 376 A HA -0.266 nan 4.320 nan 0.000 0.217 376 A C 1.767 179.287 177.584 -0.107 0.000 1.181 376 A CA 3.292 55.058 52.037 -0.452 0.000 0.623 376 A CB -0.933 18.022 19.000 -0.076 0.000 0.818 376 A HN 0.088 7.893 8.150 -0.413 0.097 0.443 377 D N -1.883 118.465 120.400 -0.087 0.000 2.144 377 D HA -0.171 nan 4.640 nan 0.000 0.200 377 D C 2.370 178.599 176.300 -0.118 0.000 0.978 377 D CA 2.483 56.447 54.000 -0.059 0.000 0.833 377 D CB -0.291 40.482 40.800 -0.045 0.000 0.961 377 D HN -0.543 7.680 8.370 -0.084 0.097 0.470 378 K N -0.610 119.644 120.400 -0.243 0.000 2.020 378 K HA -0.263 nan 4.320 nan 0.000 0.212 378 K C 1.978 178.335 176.600 -0.406 0.000 1.050 378 K CA 2.644 58.687 56.287 -0.406 0.000 0.929 378 K CB 0.068 32.168 32.500 -0.668 0.000 0.714 378 K HN -0.278 7.746 8.250 -0.250 0.075 0.443 379 W N -4.104 117.144 121.300 -0.087 0.000 2.595 379 W HA -0.122 nan 4.660 nan 0.000 0.257 379 W C 0.190 176.701 176.519 -0.013 0.000 1.267 379 W CA 1.162 58.486 57.345 -0.036 0.000 1.300 379 W CB 0.191 29.642 29.460 -0.016 0.000 1.120 379 W HN -0.412 7.551 8.180 -0.362 0.000 0.618 380 G N -5.379 103.503 108.800 0.136 0.000 2.165 380 G HA2 -0.446 nan 3.960 nan 0.000 0.226 380 G HA3 -0.446 nan 3.960 nan 0.000 0.226 380 G C -1.177 173.794 174.900 0.119 0.000 1.035 380 G CA -0.441 44.717 45.100 0.097 0.000 0.744 380 G HN -0.879 7.283 8.290 0.064 0.167 0.501 381 A N -1.830 121.078 122.820 0.146 0.000 2.425 381 A HA 0.079 nan 4.320 nan 0.000 0.249 381 A C -0.014 177.635 177.584 0.109 0.000 1.084 381 A CA -0.191 51.938 52.037 0.154 0.000 0.781 381 A CB 0.643 19.776 19.000 0.222 0.000 1.019 381 A HN -0.250 7.989 8.150 0.149 0.000 0.490 382 R N 1.525 122.081 120.500 0.094 0.000 2.156 382 R HA 0.127 nan 4.340 nan 0.000 0.207 382 R C -0.528 175.817 176.300 0.076 0.000 1.040 382 R CA 1.713 57.854 56.100 0.068 0.000 1.013 382 R CB 1.233 31.564 30.300 0.052 0.000 0.931 382 R HN 0.282 8.610 8.270 0.097 0.000 0.465 383 V N -3.978 115.995 119.914 0.099 0.000 2.960 383 V HA 0.665 nan 4.120 nan 0.000 0.315 383 V C -2.159 174.031 176.094 0.160 0.000 1.087 383 V CA -2.105 60.259 62.300 0.107 0.000 0.982 383 V CB 3.652 35.529 31.823 0.089 0.000 1.039 383 V HN -0.634 7.621 8.190 0.108 0.000 0.437 384 A N 2.725 125.655 122.820 0.183 0.000 2.457 384 A HA 0.638 nan 4.320 nan 0.000 0.283 384 A C -1.896 175.811 177.584 0.206 0.000 1.166 384 A CA -0.943 51.252 52.037 0.264 0.000 0.740 384 A CB 2.048 21.321 19.000 0.454 0.000 1.181 384 A HN 0.433 8.674 8.150 0.151 0.000 0.446 385 V N 5.943 125.933 119.914 0.127 0.000 2.405 385 V HA 0.329 nan 4.120 nan 0.000 0.264 385 V C -0.790 175.351 176.094 0.079 0.000 1.048 385 V CA 0.472 62.820 62.300 0.080 0.000 0.966 385 V CB -0.254 31.586 31.823 0.029 0.000 1.015 385 V HN -0.078 8.176 8.190 0.106 0.000 0.477 386 V N 8.468 128.452 119.914 0.117 0.000 2.612 386 V HA 0.674 nan 4.120 nan 0.000 0.301 386 V C -1.561 174.589 176.094 0.093 0.000 1.046 386 V CA -1.250 61.127 62.300 0.129 0.000 0.946 386 V CB 1.439 33.403 31.823 0.236 0.000 1.003 386 V HN 0.987 9.143 8.190 0.124 0.108 0.459 387 L N 1.058 122.340 121.223 0.098 0.000 2.661 387 L HA 0.639 nan 4.340 nan 0.000 0.263 387 L C -1.558 175.378 176.870 0.109 0.000 0.956 387 L CA -0.598 54.289 54.840 0.078 0.000 0.918 387 L CB 1.145 43.220 42.059 0.028 0.000 1.280 387 L HN -0.190 8.101 8.230 0.102 0.000 0.416 388 G N 1.586 110.467 108.800 0.135 0.000 2.795 388 G HA2 0.454 nan 3.960 nan 0.000 0.267 388 G HA3 0.454 nan 3.960 nan 0.000 0.267 388 G C -0.568 174.381 174.900 0.081 0.000 1.362 388 G CA -1.583 43.613 45.100 0.159 0.000 1.048 388 G HN -0.400 8.160 8.290 0.105 -0.207 0.547 389 E N -0.335 119.910 120.200 0.076 0.000 2.097 389 E HA -0.459 nan 4.350 nan 0.000 0.196 389 E C 2.610 179.227 176.600 0.029 0.000 1.000 389 E CA 4.392 60.819 56.400 0.044 0.000 0.804 389 E CB -0.086 29.639 29.700 0.042 0.000 0.740 389 E HN 0.486 8.908 8.360 0.105 0.000 0.454 390 S N -0.349 115.366 115.700 0.025 0.000 2.343 390 S HA -0.287 nan 4.470 nan 0.000 0.219 390 S C 1.874 176.481 174.600 0.011 0.000 1.033 390 S CA 3.069 61.277 58.200 0.012 0.000 1.014 390 S CB -0.494 62.708 63.200 0.003 0.000 0.915 390 S HN -0.117 8.212 8.310 0.031 0.000 0.435 391 E N 1.072 121.281 120.200 0.015 0.000 2.114 391 E HA -0.275 nan 4.350 nan 0.000 0.199 391 E C 2.438 179.043 176.600 0.009 0.000 1.008 391 E CA 3.064 59.470 56.400 0.011 0.000 0.810 391 E CB -0.667 29.045 29.700 0.020 0.000 0.739 391 E HN 0.137 8.509 8.360 0.020 0.000 0.456 392 V N -1.613 118.309 119.914 0.014 0.000 2.343 392 V HA -0.281 nan 4.120 nan 0.000 0.247 392 V C 1.982 178.080 176.094 0.006 0.000 1.051 392 V CA 3.750 66.056 62.300 0.009 0.000 1.036 392 V CB -0.971 30.859 31.823 0.011 0.000 0.654 392 V HN -0.477 7.712 8.190 0.020 0.013 0.451 393 A N -0.706 122.118 122.820 0.007 0.000 1.873 393 A HA -0.191 nan 4.320 nan 0.000 0.215 393 A C 1.518 179.104 177.584 0.003 0.000 1.186 393 A CA 2.645 54.685 52.037 0.005 0.000 0.616 393 A CB 0.075 19.078 19.000 0.006 0.000 0.823 393 A HN -0.238 7.840 8.150 0.010 0.078 0.442 394 N N -2.713 115.989 118.700 0.003 0.000 2.550 394 N HA -0.068 nan 4.740 nan 0.000 0.186 394 N C 0.980 176.489 175.510 -0.001 0.000 1.110 394 N CA 0.257 53.308 53.050 0.000 0.000 0.912 394 N CB 0.231 38.717 38.487 -0.001 0.000 0.968 394 N HN 0.327 8.602 8.380 0.004 0.107 0.448 395 G N -0.363 108.437 108.800 0.000 0.000 2.176 395 G HA2 -0.415 nan 3.960 nan 0.000 0.252 395 G HA3 -0.415 nan 3.960 nan 0.000 0.252 395 G C -1.225 173.672 174.900 -0.004 0.000 1.024 395 G CA 0.598 45.698 45.100 -0.001 0.000 0.755 395 G HN -0.130 7.985 8.290 0.002 0.177 0.507 396 T N -3.327 111.224 114.554 -0.006 0.000 2.841 396 T HA 0.909 nan 4.350 nan 0.000 0.276 396 T C -1.758 172.936 174.700 -0.010 0.000 1.003 396 T CA -2.749 59.343 62.100 -0.013 0.000 0.995 396 T CB 3.354 72.212 68.868 -0.017 0.000 1.260 396 T HN -0.306 7.813 8.240 -0.003 0.120 0.581 397 A N -1.723 121.086 122.820 -0.018 0.000 2.491 397 A HA 0.286 nan 4.320 nan 0.000 0.293 397 A C -2.274 175.301 177.584 -0.014 0.000 1.047 397 A CA -0.050 51.982 52.037 -0.007 0.000 0.735 397 A CB 2.613 21.608 19.000 -0.009 0.000 1.281 397 A HN 0.374 8.505 8.150 -0.032 0.000 0.398 398 V N 4.361 124.285 119.914 0.015 0.000 2.439 398 V HA 0.298 nan 4.120 nan 0.000 0.271 398 V C -0.643 175.475 176.094 0.040 0.000 1.040 398 V CA 0.602 62.916 62.300 0.023 0.000 1.002 398 V CB 0.147 32.004 31.823 0.057 0.000 1.000 398 V HN 0.094 8.305 8.190 0.034 0.000 0.477 399 V N 9.429 129.346 119.914 0.006 0.000 2.348 399 V HA 0.319 nan 4.120 nan 0.000 0.270 399 V C -1.491 174.633 176.094 0.049 0.000 1.037 399 V CA -1.347 60.970 62.300 0.028 0.000 0.872 399 V CB -0.243 31.573 31.823 -0.012 0.000 1.002 399 V HN 1.121 9.291 8.190 -0.033 0.000 0.464 400 K N 8.418 128.871 120.400 0.087 0.000 2.265 400 K HA 0.316 nan 4.320 nan 0.000 0.267 400 K C -1.965 174.663 176.600 0.048 0.000 0.994 400 K CA -1.458 54.864 56.287 0.058 0.000 0.860 400 K CB 2.623 35.165 32.500 0.071 0.000 1.099 400 K HN 0.578 8.903 8.250 0.124 0.000 0.448 401 D N 7.559 127.972 120.400 0.021 0.000 2.336 401 D HA 0.152 nan 4.640 nan 0.000 0.249 401 D C 0.633 176.930 176.300 -0.006 0.000 1.213 401 D CA -0.992 53.021 54.000 0.022 0.000 0.870 401 D CB 0.500 41.312 40.800 0.020 0.000 1.076 401 D HN -0.046 8.330 8.370 0.011 0.000 0.483 402 L N 3.963 125.189 121.223 0.006 0.000 2.362 402 L HA -0.259 nan 4.340 nan 0.000 0.219 402 L C 1.104 177.961 176.870 -0.023 0.000 1.134 402 L CA 2.042 56.869 54.840 -0.021 0.000 0.807 402 L CB -0.359 41.712 42.059 0.020 0.000 0.927 402 L HN 0.452 8.704 8.230 0.037 0.000 0.447 403 R N -2.812 117.684 120.500 -0.007 0.000 2.062 403 R HA -0.139 nan 4.340 nan 0.000 0.226 403 R C 1.232 177.522 176.300 -0.017 0.000 1.125 403 R CA 2.078 58.173 56.100 -0.008 0.000 0.966 403 R CB 0.376 30.677 30.300 0.002 0.000 0.861 403 R HN 0.278 8.768 8.270 0.004 -0.217 0.433 404 S N -3.668 112.023 115.700 -0.016 0.000 2.511 404 S HA 0.115 nan 4.470 nan 0.000 0.214 404 S C 1.238 175.818 174.600 -0.033 0.000 0.997 404 S CA -0.188 58.001 58.200 -0.019 0.000 0.908 404 S CB 1.536 64.731 63.200 -0.010 0.000 0.803 404 S HN -0.449 8.132 8.310 -0.011 -0.277 0.504 405 G N 2.554 111.325 108.800 -0.048 0.000 2.184 405 G HA2 -0.307 nan 3.960 nan 0.000 0.264 405 G HA3 -0.307 nan 3.960 nan 0.000 0.264 405 G C -0.337 174.527 174.900 -0.060 0.000 0.975 405 G CA 0.429 45.483 45.100 -0.076 0.000 0.642 405 G HN 0.317 8.451 8.290 -0.043 0.130 0.536 406 E N 2.431 122.611 120.200 -0.032 0.000 2.129 406 E HA 0.005 nan 4.350 nan 0.000 0.283 406 E C -0.918 175.676 176.600 -0.010 0.000 1.080 406 E CA -0.409 55.980 56.400 -0.018 0.000 0.867 406 E CB 0.064 29.762 29.700 -0.003 0.000 1.056 406 E HN -0.577 7.695 8.360 -0.025 0.073 0.404 407 Q N 2.538 122.329 119.800 -0.014 0.000 2.306 407 Q HA 0.650 nan 4.340 nan 0.000 0.265 407 Q C -0.841 175.156 176.000 -0.004 0.000 1.022 407 Q CA -1.459 54.342 55.803 -0.003 0.000 0.853 407 Q CB 2.399 31.135 28.738 -0.003 0.000 1.327 407 Q HN 0.259 8.516 8.270 -0.022 0.000 0.449 408 T N -2.588 111.960 114.554 -0.010 0.000 2.916 408 T HA 0.260 nan 4.350 nan 0.000 0.305 408 T C -2.161 172.504 174.700 -0.058 0.000 1.119 408 T CA -1.534 60.549 62.100 -0.029 0.000 1.008 408 T CB 2.488 71.342 68.868 -0.023 0.000 1.129 408 T HN 0.416 8.651 8.240 -0.008 0.000 0.480 409 A N 3.265 126.051 122.820 -0.057 0.000 2.276 409 A HA 0.807 nan 4.320 nan 0.000 0.300 409 A C -0.738 176.782 177.584 -0.106 0.000 1.235 409 A CA -0.786 51.214 52.037 -0.062 0.000 0.867 409 A CB 0.629 19.608 19.000 -0.035 0.000 1.137 409 A HN 0.251 8.375 8.150 -0.042 0.000 0.527 410 V N 2.352 122.185 119.914 -0.135 0.000 2.823 410 V HA 0.245 nan 4.120 nan 0.000 0.312 410 V C -0.806 175.238 176.094 -0.084 0.000 1.072 410 V CA -1.581 60.615 62.300 -0.173 0.000 0.937 410 V CB 3.818 35.415 31.823 -0.376 0.000 1.013 410 V HN 0.550 8.675 8.190 -0.109 0.000 0.430 411 A N 2.544 125.334 122.820 -0.050 0.000 2.462 411 A HA 0.032 nan 4.320 nan 0.000 0.243 411 A C 1.447 179.023 177.584 -0.014 0.000 1.076 411 A CA 0.407 52.432 52.037 -0.019 0.000 0.773 411 A CB 0.221 19.221 19.000 -0.001 0.000 1.010 411 A HN 0.253 8.375 8.150 -0.046 0.000 0.493 412 Q N 4.674 124.469 119.800 -0.008 0.000 2.152 412 Q HA -0.429 nan 4.340 nan 0.000 0.206 412 Q C 2.503 178.509 176.000 0.009 0.000 0.985 412 Q CA 3.747 59.549 55.803 -0.002 0.000 0.863 412 Q CB -0.204 28.533 28.738 -0.002 0.000 0.904 412 Q HN 0.214 8.479 8.270 -0.008 0.000 0.422 413 D N -2.072 118.335 120.400 0.013 0.000 2.351 413 D HA -0.151 nan 4.640 nan 0.000 0.216 413 D C 0.915 177.237 176.300 0.036 0.000 0.968 413 D CA 2.412 56.425 54.000 0.020 0.000 0.899 413 D CB -0.483 40.327 40.800 0.018 0.000 0.907 413 D HN 0.438 8.799 8.370 0.009 0.015 0.514 414 S N -2.305 113.424 115.700 0.049 0.000 2.559 414 S HA 0.290 nan 4.470 nan 0.000 0.226 414 S C 1.091 175.778 174.600 0.145 0.000 1.000 414 S CA 0.039 58.300 58.200 0.102 0.000 0.948 414 S CB 1.473 64.755 63.200 0.137 0.000 0.870 414 S HN -0.138 8.004 8.310 0.032 0.187 0.497 415 V N -1.015 118.940 119.914 0.068 0.000 2.392 415 V HA -0.349 nan 4.120 nan 0.000 0.249 415 V C 0.721 176.875 176.094 0.100 0.000 1.059 415 V CA 3.659 65.998 62.300 0.064 0.000 1.051 415 V CB -1.308 30.525 31.823 0.017 0.000 0.658 415 V HN -0.597 7.496 8.190 0.036 0.119 0.455 416 A N 0.184 123.045 122.820 0.069 0.000 1.865 416 A HA -0.427 nan 4.320 nan 0.000 0.217 416 A C 1.430 179.052 177.584 0.063 0.000 1.191 416 A CA 3.452 55.521 52.037 0.054 0.000 0.623 416 A CB -1.112 17.908 19.000 0.034 0.000 0.826 416 A HN 0.198 8.381 8.150 0.056 0.000 0.444 417 A N -2.300 120.560 122.820 0.067 0.000 1.908 417 A HA -0.360 nan 4.320 nan 0.000 0.218 417 A C 2.192 179.783 177.584 0.013 0.000 1.181 417 A CA 3.024 55.079 52.037 0.029 0.000 0.627 417 A CB -0.995 18.014 19.000 0.014 0.000 0.818 417 A HN -0.003 8.192 8.150 0.075 0.000 0.445 418 H N -0.988 118.088 119.070 0.010 0.000 2.321 418 H HA -0.302 nan 4.556 nan 0.000 0.300 418 H C 2.642 177.978 175.328 0.014 0.000 1.087 418 H CA 4.391 60.446 56.048 0.012 0.000 1.319 418 H CB 0.236 30.007 29.762 0.014 0.000 1.379 418 H HN -0.609 7.757 8.280 0.270 0.076 0.501 419 L N -1.293 120.017 121.223 0.145 0.000 2.042 419 L HA -0.444 nan 4.340 nan 0.000 0.210 419 L C 1.886 178.786 176.870 0.050 0.000 1.076 419 L CA 3.253 58.144 54.840 0.086 0.000 0.749 419 L CB -0.500 41.599 42.059 0.067 0.000 0.893 419 L HN 0.393 8.720 8.230 0.162 0.000 0.432 420 R N -1.608 118.913 120.500 0.035 0.000 2.105 420 R HA -0.426 nan 4.340 nan 0.000 0.239 420 R C 2.436 178.738 176.300 0.002 0.000 1.135 420 R CA 3.985 60.093 56.100 0.014 0.000 0.967 420 R CB -0.126 30.177 30.300 0.005 0.000 0.861 420 R HN -0.075 8.137 8.270 0.044 0.085 0.442 421 T N 1.179 115.726 114.554 -0.011 0.000 2.812 421 T HA -0.162 nan 4.350 nan 0.000 0.264 421 T C 2.249 176.949 174.700 -0.001 0.000 1.042 421 T CA 3.710 65.796 62.100 -0.024 0.000 1.140 421 T CB -0.513 68.314 68.868 -0.067 0.000 0.870 421 T HN -0.597 7.529 8.240 -0.015 0.105 0.445 422 L N -0.567 120.668 121.223 0.020 0.000 2.275 422 L HA -0.225 nan 4.340 nan 0.000 0.215 422 L C 1.831 178.716 176.870 0.026 0.000 1.119 422 L CA 2.815 57.674 54.840 0.031 0.000 0.790 422 L CB -0.071 42.020 42.059 0.054 0.000 0.919 422 L HN -0.235 7.944 8.230 0.031 0.070 0.443 423 L N -4.869 116.368 121.223 0.023 0.000 2.477 423 L HA -0.026 nan 4.340 nan 0.000 0.220 423 L C 0.675 177.552 176.870 0.012 0.000 1.106 423 L CA -0.144 54.709 54.840 0.021 0.000 0.851 423 L CB 0.242 42.316 42.059 0.024 0.000 0.994 423 L HN -0.224 7.988 8.230 0.023 0.031 0.462 424 G N 0.000 108.804 108.800 0.007 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.101 45.100 0.002 0.000 0.502 424 G HN 0.000 8.294 8.290 0.007 0.000 0.925