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 1yyg_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVcPDGTRVS HAAccAFIPL AQDLQETIFQ NEcGEDAHEV IRLTFHDAIA DATA SEQUENCE ISRSQGPKAG GGADGSMLLF PTVEPNFSAN NGIDDSVNNL IPFMQKHNTI DATA SEQUENCE SAADLVQFAG AVALSNcPGA PRLEFLAGRP NKTIAAVDGL IPEPQDSVTK DATA SEQUENCE ILQRFEDAGG FTPFEVVSLL ASHSVARADK VDQTIDAAPF DSTPFTFDTQ DATA SEQUENCE VFLEVLLKGV GFPGSANNTG EVASPLPLGS GSDTGEMRLQ SDFALAHDPR DATA SEQUENCE TAcIWQGFVN EQAFMAASFR AAMSKLAVLG HNRNSLIDcS DVVPVPKPAT DATA SEQUENCE GQPAMFPAST GPQDLELScP SERFPTLTTQ PGASQSLIAH cPDGSMScPG DATA SEQUENCE VQFNGPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.593 177.584 0.014 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.018 19.000 0.030 0.000 0.831 2 V N 0.804 120.729 119.914 0.018 0.000 2.384 2 V HA 0.406 4.526 4.120 0.001 0.000 0.287 2 V C 0.250 176.360 176.094 0.026 0.000 1.020 2 V CA -0.617 61.695 62.300 0.020 0.000 0.850 2 V CB 0.837 32.669 31.823 0.015 0.000 0.987 2 V HN 1.071 nan 8.190 nan 0.000 0.436 3 c N 6.410 125.029 118.600 0.032 0.000 2.580 3 c HA 0.267 4.838 4.570 0.001 0.000 0.371 3 c C -0.406 173.701 174.090 0.028 0.000 1.308 3 c CA -0.804 55.546 56.329 0.035 0.000 2.428 3 c CB 0.639 43.177 42.510 0.046 0.000 2.529 3 c HN 0.695 nan 8.230 nan 0.000 0.657 4 P HA -0.148 nan 4.420 nan 0.000 0.216 4 P C 1.026 178.339 177.300 0.022 0.000 1.150 4 P CA 1.609 64.721 63.100 0.020 0.000 0.843 4 P CB -0.118 31.592 31.700 0.017 0.000 0.787 5 D N -1.379 119.037 120.400 0.028 0.000 2.378 5 D HA -0.012 4.628 4.640 0.001 0.000 0.227 5 D C 1.387 177.703 176.300 0.026 0.000 1.012 5 D CA 1.031 55.048 54.000 0.028 0.000 0.905 5 D CB -0.942 39.879 40.800 0.036 0.000 0.895 5 D HN 0.274 nan 8.370 nan 0.000 0.532 6 G N -0.552 108.263 108.800 0.025 0.000 2.157 6 G HA2 -0.242 3.718 3.960 0.001 0.000 0.239 6 G HA3 -0.242 3.718 3.960 0.001 0.000 0.239 6 G C 0.298 175.213 174.900 0.025 0.000 0.982 6 G CA 0.264 45.377 45.100 0.022 0.000 0.650 6 G HN 0.457 nan 8.290 nan 0.000 0.527 7 T N 0.925 115.499 114.554 0.032 0.000 2.851 7 T HA 0.433 4.784 4.350 0.001 0.000 0.298 7 T C 0.621 175.340 174.700 0.032 0.000 0.977 7 T CA -0.008 62.113 62.100 0.035 0.000 1.126 7 T CB 1.299 70.196 68.868 0.047 0.000 0.916 7 T HN 0.519 nan 8.240 nan 0.000 0.529 8 R N 2.787 123.302 120.500 0.025 0.000 2.265 8 R HA 0.534 4.874 4.340 0.001 0.000 0.314 8 R C -0.370 175.941 176.300 0.019 0.000 1.053 8 R CA -0.459 55.651 56.100 0.018 0.000 0.931 8 R CB 0.279 30.585 30.300 0.010 0.000 1.024 8 R HN 0.556 nan 8.270 nan 0.000 0.457 9 V N 1.025 120.949 119.914 0.016 0.000 3.160 9 V HA 0.399 4.520 4.120 0.001 0.000 0.310 9 V C 0.986 177.058 176.094 -0.036 0.000 1.181 9 V CA -0.089 62.219 62.300 0.014 0.000 1.047 9 V CB 1.727 33.583 31.823 0.055 0.000 1.068 9 V HN 0.919 nan 8.190 nan 0.000 0.441 10 S N -0.034 115.623 115.700 -0.071 0.000 2.365 10 S HA -0.101 4.369 4.470 0.001 0.000 0.225 10 S C 0.704 175.000 174.600 -0.506 0.000 1.039 10 S CA 1.534 59.573 58.200 -0.267 0.000 1.033 10 S CB -0.832 62.251 63.200 -0.195 0.000 0.887 10 S HN 0.985 nan 8.310 nan 0.000 0.447 11 H N -1.300 117.788 119.070 0.029 0.000 2.894 11 H HA 0.588 5.144 4.556 0.001 0.000 0.367 11 H C 0.897 176.251 175.328 0.044 0.000 1.144 11 H CA -0.325 55.740 56.048 0.029 0.000 1.180 11 H CB 1.721 31.496 29.762 0.022 0.000 1.758 11 H HN 0.256 nan 8.280 nan 0.000 0.541 12 A N 1.994 124.908 122.820 0.156 0.000 1.978 12 A HA -0.141 4.179 4.320 0.001 0.000 0.220 12 A C 2.175 179.829 177.584 0.118 0.000 1.170 12 A CA 1.948 54.049 52.037 0.106 0.000 0.636 12 A CB -0.574 18.470 19.000 0.074 0.000 0.810 12 A HN 0.750 nan 8.150 nan 0.000 0.448 13 A N -1.496 121.408 122.820 0.139 0.000 2.121 13 A HA -0.046 4.274 4.320 0.001 0.000 0.218 13 A C 1.957 179.674 177.584 0.221 0.000 1.154 13 A CA 1.384 53.498 52.037 0.129 0.000 0.679 13 A CB -0.957 18.093 19.000 0.083 0.000 0.795 13 A HN 0.626 nan 8.150 nan 0.000 0.458 14 c N -2.136 116.607 118.600 0.238 0.000 2.594 14 c HA 0.011 4.582 4.570 0.001 0.000 0.265 14 c C 2.571 176.843 174.090 0.303 0.000 1.351 14 c CA -0.100 56.428 56.329 0.333 0.000 1.744 14 c CB -1.856 40.784 42.510 0.217 0.000 1.890 14 c HN 0.759 nan 8.230 nan 0.000 0.551 15 c N 1.468 120.171 118.600 0.170 0.000 2.401 15 c HA -0.154 4.417 4.570 0.001 0.000 0.276 15 c C 3.099 177.229 174.090 0.066 0.000 1.233 15 c CA 1.672 58.065 56.329 0.107 0.000 1.753 15 c CB -1.374 41.177 42.510 0.068 0.000 2.029 15 c HN 0.713 nan 8.230 nan 0.000 0.478 16 A N -0.644 122.168 122.820 -0.013 0.000 2.070 16 A HA -0.081 4.239 4.320 0.001 0.000 0.220 16 A C 1.719 179.160 177.584 -0.238 0.000 1.159 16 A CA 1.216 53.174 52.037 -0.133 0.000 0.656 16 A CB -0.728 18.133 19.000 -0.231 0.000 0.800 16 A HN 0.594 nan 8.150 nan 0.000 0.453 17 F N -0.132 119.725 119.950 -0.156 0.000 2.407 17 F HA -0.022 4.506 4.527 0.001 0.000 0.299 17 F C 1.959 177.670 175.800 -0.149 0.000 1.097 17 F CA 0.780 58.540 58.000 -0.400 0.000 1.422 17 F CB -0.326 38.188 39.000 -0.811 0.000 1.067 17 F HN 0.160 nan 8.300 nan 0.000 0.539 18 I N 1.031 121.673 120.570 0.120 0.000 2.113 18 I HA -0.206 3.964 4.170 0.001 0.000 0.238 18 I C -0.311 175.878 176.117 0.120 0.000 1.070 18 I CA 1.247 62.632 61.300 0.142 0.000 1.332 18 I CB -1.814 36.253 38.000 0.112 0.000 1.044 18 I HN -0.016 nan 8.210 nan 0.000 0.402 19 P HA -0.142 nan 4.420 nan 0.000 0.223 19 P C 1.838 179.200 177.300 0.104 0.000 1.151 19 P CA 1.087 64.264 63.100 0.128 0.000 0.787 19 P CB 0.001 31.795 31.700 0.157 0.000 0.788 20 L N 0.408 121.602 121.223 -0.049 0.000 2.056 20 L HA 0.012 4.353 4.340 0.001 0.000 0.207 20 L C 2.469 179.337 176.870 -0.002 0.000 1.078 20 L CA 1.960 56.604 54.840 -0.325 0.000 0.749 20 L CB -1.553 40.276 42.059 -0.383 0.000 0.901 20 L HN -0.097 nan 8.230 nan 0.000 0.433 21 A N -0.805 122.157 122.820 0.237 0.000 1.883 21 A HA -0.277 4.043 4.320 0.001 0.000 0.217 21 A C 2.186 179.819 177.584 0.082 0.000 1.186 21 A CA 1.984 54.140 52.037 0.198 0.000 0.624 21 A CB -0.669 18.486 19.000 0.258 0.000 0.822 21 A HN 0.679 nan 8.150 nan 0.000 0.444 22 Q N -0.974 118.884 119.800 0.097 0.000 2.084 22 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 22 Q C 1.823 177.876 176.000 0.088 0.000 0.978 22 Q CA 1.465 57.319 55.803 0.084 0.000 0.844 22 Q CB -0.244 28.549 28.738 0.091 0.000 0.898 22 Q HN 0.662 nan 8.270 nan 0.000 0.426 23 D N 0.612 121.087 120.400 0.126 0.000 2.117 23 D HA -0.101 4.539 4.640 0.001 0.000 0.198 23 D C 1.857 178.265 176.300 0.180 0.000 0.982 23 D CA 0.833 54.969 54.000 0.228 0.000 0.828 23 D CB -0.053 41.003 40.800 0.426 0.000 0.967 23 D HN 0.143 nan 8.370 nan 0.000 0.464 24 L N 0.310 121.490 121.223 -0.071 0.000 2.012 24 L HA -0.208 4.132 4.340 0.001 0.000 0.210 24 L C 2.699 179.352 176.870 -0.362 0.000 1.073 24 L CA 1.082 55.634 54.840 -0.481 0.000 0.748 24 L CB -0.427 41.313 42.059 -0.531 0.000 0.891 24 L HN 0.090 nan 8.230 nan 0.000 0.431 25 Q N 0.017 119.768 119.800 -0.082 0.000 2.050 25 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 25 Q C 2.106 178.113 176.000 0.013 0.000 0.980 25 Q CA 1.677 57.500 55.803 0.033 0.000 0.840 25 Q CB -0.239 28.541 28.738 0.069 0.000 0.898 25 Q HN 0.604 nan 8.270 nan 0.000 0.424 26 E N -0.355 119.863 120.200 0.030 0.000 2.106 26 E HA -0.101 4.250 4.350 0.001 0.000 0.192 26 E C 1.908 178.534 176.600 0.042 0.000 0.984 26 E CA 1.483 57.908 56.400 0.042 0.000 0.806 26 E CB 0.105 29.842 29.700 0.061 0.000 0.750 26 E HN 0.305 nan 8.360 nan 0.000 0.458 27 T N 0.813 115.411 114.554 0.074 0.000 2.901 27 T HA 0.029 4.379 4.350 0.001 0.000 0.252 27 T C 2.070 176.789 174.700 0.032 0.000 1.035 27 T CA 1.019 63.195 62.100 0.127 0.000 1.142 27 T CB 0.082 69.167 68.868 0.361 0.000 0.869 27 T HN 0.266 nan 8.240 nan 0.000 0.442 28 I N -3.248 117.249 120.570 -0.123 0.000 4.312 28 I HA 0.406 4.576 4.170 0.001 0.000 0.324 28 I C 1.475 177.500 176.117 -0.154 0.000 1.298 28 I CA 0.142 61.316 61.300 -0.210 0.000 1.231 28 I CB -0.004 37.818 38.000 -0.297 0.000 1.152 28 I HN 0.083 nan 8.210 nan 0.000 0.421 29 F N 1.140 121.061 119.950 -0.049 0.000 2.559 29 F HA 0.229 4.757 4.527 0.001 0.000 0.286 29 F C 0.694 176.445 175.800 -0.082 0.000 1.108 29 F CA -0.380 57.570 58.000 -0.083 0.000 1.436 29 F CB 0.122 39.062 39.000 -0.100 0.000 1.130 29 F HN -0.031 nan 8.300 nan 0.000 0.584 30 Q N 0.856 120.716 119.800 0.100 0.000 2.457 30 Q HA -0.301 4.040 4.340 0.001 0.000 0.283 30 Q C -0.232 175.786 176.000 0.029 0.000 1.234 30 Q CA 0.902 56.728 55.803 0.039 0.000 0.877 30 Q CB -2.513 26.224 28.738 -0.000 0.000 1.250 30 Q HN 0.537 nan 8.270 nan 0.000 0.481 31 N N -1.280 117.458 118.700 0.063 0.000 2.708 31 N HA -0.212 4.528 4.740 0.001 0.000 0.251 31 N C -0.934 174.558 175.510 -0.031 0.000 1.123 31 N CA 1.756 54.816 53.050 0.017 0.000 0.739 31 N CB -0.228 38.259 38.487 0.001 0.000 1.113 31 N HN 0.662 nan 8.380 nan 0.000 0.561 32 E N -0.634 119.540 120.200 -0.042 0.000 2.212 32 E HA 0.368 4.718 4.350 0.001 0.000 0.270 32 E C -0.322 176.190 176.600 -0.147 0.000 0.956 32 E CA -0.717 55.618 56.400 -0.108 0.000 0.825 32 E CB 1.739 31.348 29.700 -0.152 0.000 1.167 32 E HN 0.235 nan 8.360 nan 0.000 0.400 33 c N 3.579 122.100 118.600 -0.133 0.000 2.874 33 c HA 0.421 4.992 4.570 0.001 0.000 0.523 33 c C 0.654 174.613 174.090 -0.219 0.000 1.234 33 c CA -0.345 55.923 56.329 -0.102 0.000 1.485 33 c CB -2.127 40.429 42.510 0.077 0.000 1.916 33 c HN 0.698 nan 8.230 nan 0.000 0.630 34 G N 0.807 109.378 108.800 -0.381 0.000 2.702 34 G HA2 0.334 4.294 3.960 0.001 0.000 0.254 34 G HA3 0.334 4.294 3.960 0.001 0.000 0.254 34 G C 0.578 175.136 174.900 -0.570 0.000 1.380 34 G CA 0.064 44.901 45.100 -0.438 0.000 1.042 34 G HN 0.416 nan 8.290 nan 0.000 0.557 35 E N -0.283 119.754 120.200 -0.272 0.000 2.049 35 E HA -0.174 4.176 4.350 0.001 0.000 0.198 35 E C 1.754 178.324 176.600 -0.050 0.000 1.007 35 E CA 2.273 58.601 56.400 -0.120 0.000 0.809 35 E CB -0.208 29.464 29.700 -0.046 0.000 0.749 35 E HN 0.382 nan 8.360 nan 0.000 0.450 36 D N -0.430 119.968 120.400 -0.004 0.000 2.144 36 D HA -0.059 4.581 4.640 0.001 0.000 0.200 36 D C 1.772 178.196 176.300 0.207 0.000 0.978 36 D CA 1.488 55.565 54.000 0.128 0.000 0.833 36 D CB -0.537 40.364 40.800 0.168 0.000 0.961 36 D HN 0.335 nan 8.370 nan 0.000 0.470 37 A N 0.354 123.184 122.820 0.017 0.000 1.883 37 A HA -0.233 4.087 4.320 0.001 0.000 0.217 37 A C 1.883 179.418 177.584 -0.082 0.000 1.186 37 A CA 1.630 53.460 52.037 -0.345 0.000 0.624 37 A CB -1.056 17.646 19.000 -0.497 0.000 0.822 37 A HN 0.404 nan 8.150 nan 0.000 0.444 38 H N -0.452 118.592 119.070 -0.043 0.000 2.321 38 H HA -0.108 4.449 4.556 0.000 0.000 0.300 38 H C 2.123 177.462 175.328 0.018 0.000 1.087 38 H CA 1.139 57.178 56.048 -0.015 0.000 1.319 38 H CB 0.069 29.819 29.762 -0.020 0.000 1.379 38 H HN 0.567 nan 8.280 nan 0.000 0.501 39 E N 0.525 120.824 120.200 0.166 0.000 2.110 39 E HA -0.116 4.234 4.350 0.001 0.000 0.193 39 E C 2.440 179.111 176.600 0.118 0.000 0.988 39 E CA 0.869 57.339 56.400 0.117 0.000 0.804 39 E CB -0.089 29.670 29.700 0.099 0.000 0.745 39 E HN 0.284 nan 8.360 nan 0.000 0.458 40 V N 1.575 121.575 119.914 0.143 0.000 2.453 40 V HA -0.197 3.923 4.120 0.001 0.000 0.247 40 V C 2.283 178.450 176.094 0.121 0.000 1.048 40 V CA 1.159 63.548 62.300 0.149 0.000 1.049 40 V CB -0.349 31.617 31.823 0.237 0.000 0.672 40 V HN 0.182 nan 8.190 nan 0.000 0.457 41 I N -0.311 120.319 120.570 0.101 0.000 2.315 41 I HA -0.223 3.947 4.170 0.001 0.000 0.248 41 I C 2.690 178.931 176.117 0.207 0.000 1.117 41 I CA 1.519 62.898 61.300 0.132 0.000 1.404 41 I CB -0.420 37.655 38.000 0.124 0.000 1.071 41 I HN 0.189 nan 8.210 nan 0.000 0.419 42 R N 0.970 121.586 120.500 0.193 0.000 2.081 42 R HA -0.216 4.124 4.340 0.001 0.000 0.235 42 R C 2.372 178.805 176.300 0.222 0.000 1.131 42 R CA 1.565 57.810 56.100 0.242 0.000 0.960 42 R CB -0.305 30.070 30.300 0.125 0.000 0.856 42 R HN 0.249 nan 8.270 nan 0.000 0.436 43 L N 1.207 122.507 121.223 0.128 0.000 2.083 43 L HA -0.158 4.182 4.340 0.001 0.000 0.209 43 L C 2.353 179.336 176.870 0.189 0.000 1.083 43 L CA 2.549 57.460 54.840 0.119 0.000 0.752 43 L CB -0.832 41.287 42.059 0.100 0.000 0.899 43 L HN 0.396 nan 8.230 nan 0.000 0.433 44 T N -2.928 111.753 114.554 0.211 0.000 2.759 44 T HA -0.298 4.052 4.350 0.001 0.000 0.269 44 T C 1.885 176.751 174.700 0.277 0.000 1.042 44 T CA 1.760 63.991 62.100 0.220 0.000 1.140 44 T CB -1.178 67.809 68.868 0.198 0.000 0.864 44 T HN 0.477 nan 8.240 nan 0.000 0.455 45 F N 1.355 121.421 119.950 0.194 0.000 2.128 45 F HA 0.007 4.534 4.527 0.001 0.000 0.295 45 F C 2.661 178.581 175.800 0.200 0.000 1.100 45 F CA 1.261 59.376 58.000 0.192 0.000 1.260 45 F CB -0.203 38.939 39.000 0.237 0.000 1.009 45 F HN 0.199 nan 8.300 nan 0.000 0.476 46 H N -0.925 117.991 119.070 -0.257 0.000 2.421 46 H HA -0.172 4.385 4.556 0.000 0.000 0.298 46 H C 1.520 176.747 175.328 -0.169 0.000 1.087 46 H CA 1.285 57.125 56.048 -0.346 0.000 1.330 46 H CB -0.167 29.522 29.762 -0.123 0.000 1.388 46 H HN 0.370 nan 8.280 nan 0.000 0.526 47 D N 0.692 121.141 120.400 0.081 0.000 2.084 47 D HA -0.082 4.559 4.640 0.001 0.000 0.196 47 D C 2.347 178.677 176.300 0.050 0.000 0.985 47 D CA 1.298 55.346 54.000 0.080 0.000 0.826 47 D CB -0.144 40.732 40.800 0.125 0.000 0.978 47 D HN 0.286 nan 8.370 nan 0.000 0.456 48 A N 0.070 122.932 122.820 0.071 0.000 1.898 48 A HA -0.077 4.244 4.320 0.001 0.000 0.216 48 A C 2.258 179.865 177.584 0.037 0.000 1.181 48 A CA 0.987 53.084 52.037 0.101 0.000 0.620 48 A CB -0.690 18.417 19.000 0.179 0.000 0.819 48 A HN 0.340 nan 8.150 nan 0.000 0.442 49 I N -0.194 120.317 120.570 -0.099 0.000 3.001 49 I HA 0.068 4.238 4.170 0.001 0.000 0.268 49 I C 1.497 177.523 176.117 -0.153 0.000 1.267 49 I CA 0.395 61.598 61.300 -0.162 0.000 1.472 49 I CB -0.204 37.523 38.000 -0.455 0.000 1.089 49 I HN 0.218 nan 8.210 nan 0.000 0.468 50 A N 1.726 124.474 122.820 -0.119 0.000 3.037 50 A HA 0.452 4.772 4.320 0.001 0.000 0.272 50 A C 0.131 177.695 177.584 -0.033 0.000 1.723 50 A CA -0.028 51.965 52.037 -0.073 0.000 1.413 50 A CB -0.909 18.072 19.000 -0.032 0.000 1.112 50 A HN 0.367 nan 8.150 nan 0.000 0.606 51 I N 0.116 120.665 120.570 -0.035 0.000 2.841 51 I HA 0.581 4.752 4.170 0.001 0.000 0.298 51 I C -0.973 175.133 176.117 -0.019 0.000 1.304 51 I CA -0.311 60.977 61.300 -0.020 0.000 1.019 51 I CB 2.251 40.247 38.000 -0.007 0.000 1.282 51 I HN 0.202 nan 8.210 nan 0.000 0.432 52 S N 5.418 121.107 115.700 -0.018 0.000 2.736 52 S HA 0.494 4.964 4.470 0.001 0.000 0.285 52 S C 0.492 175.085 174.600 -0.012 0.000 1.163 52 S CA -0.678 57.514 58.200 -0.014 0.000 1.025 52 S CB 1.600 64.788 63.200 -0.020 0.000 1.030 52 S HN 0.821 nan 8.310 nan 0.000 0.486 53 R N 1.929 122.426 120.500 -0.005 0.000 2.081 53 R HA -0.073 4.268 4.340 0.001 0.000 0.235 53 R C 2.376 178.672 176.300 -0.007 0.000 1.131 53 R CA 2.008 58.104 56.100 -0.008 0.000 0.960 53 R CB -0.301 29.997 30.300 -0.003 0.000 0.856 53 R HN 0.784 nan 8.270 nan 0.000 0.436 54 S N 0.253 115.951 115.700 -0.003 0.000 2.414 54 S HA -0.106 4.364 4.470 0.001 0.000 0.227 54 S C 1.827 176.422 174.600 -0.009 0.000 1.022 54 S CA 0.586 58.783 58.200 -0.004 0.000 0.958 54 S CB 0.026 63.226 63.200 0.001 0.000 0.797 54 S HN 0.321 nan 8.310 nan 0.000 0.493 55 Q N 1.006 120.798 119.800 -0.013 0.000 2.331 55 Q HA 0.372 4.712 4.340 0.001 0.000 0.203 55 Q C 1.031 177.021 176.000 -0.017 0.000 0.944 55 Q CA 0.308 56.101 55.803 -0.017 0.000 0.892 55 Q CB 0.016 28.741 28.738 -0.022 0.000 0.983 55 Q HN 0.750 nan 8.270 nan 0.000 0.482 56 G N 0.618 109.407 108.800 -0.018 0.000 2.707 56 G HA2 -0.175 3.785 3.960 0.001 0.000 0.686 56 G HA3 -0.175 3.785 3.960 0.001 0.000 0.686 56 G C -2.414 172.471 174.900 -0.024 0.000 1.315 56 G CA -0.667 44.422 45.100 -0.019 0.000 0.832 56 G HN -0.065 nan 8.290 nan 0.000 0.573 57 P HA -0.037 nan 4.420 nan 0.000 0.218 57 P C 1.728 179.009 177.300 -0.031 0.000 1.146 57 P CA 1.492 64.574 63.100 -0.030 0.000 0.813 57 P CB 0.022 31.705 31.700 -0.028 0.000 0.778 58 K N -0.627 119.756 120.400 -0.028 0.000 2.362 58 K HA 0.024 4.344 4.320 0.001 0.000 0.200 58 K C 1.923 178.501 176.600 -0.036 0.000 1.046 58 K CA 1.013 57.281 56.287 -0.032 0.000 0.952 58 K CB -0.746 31.738 32.500 -0.026 0.000 0.753 58 K HN 0.036 nan 8.250 nan 0.000 0.466 59 A N -0.082 122.718 122.820 -0.032 0.000 2.067 59 A HA 0.293 4.613 4.320 0.001 0.000 0.217 59 A C 0.823 178.391 177.584 -0.028 0.000 1.156 59 A CA 1.034 53.052 52.037 -0.031 0.000 0.683 59 A CB 0.085 19.067 19.000 -0.030 0.000 0.808 59 A HN 0.282 nan 8.150 nan 0.000 0.455 60 G N -3.537 105.243 108.800 -0.032 0.000 2.386 60 G HA2 0.433 4.393 3.960 0.001 0.000 0.302 60 G HA3 0.433 4.393 3.960 0.001 0.000 0.302 60 G C 0.150 175.031 174.900 -0.032 0.000 1.629 60 G CA -0.008 45.074 45.100 -0.029 0.000 0.917 60 G HN 0.788 nan 8.290 nan 0.000 0.676 61 G N -0.566 108.218 108.800 -0.027 0.000 3.337 61 G HA2 0.617 4.578 3.960 0.001 0.000 0.246 61 G HA3 0.617 4.578 3.960 0.001 0.000 0.246 61 G C 1.294 176.164 174.900 -0.050 0.000 1.131 61 G CA 1.425 46.497 45.100 -0.047 0.000 0.773 61 G HN 2.350 nan 8.290 nan 0.000 0.544 62 G N 0.279 109.075 108.800 -0.008 0.000 2.509 62 G HA2 0.131 4.092 3.960 0.001 0.000 0.259 62 G HA3 0.131 4.092 3.960 0.001 0.000 0.259 62 G C 0.743 175.696 174.900 0.087 0.000 1.169 62 G CA 0.091 45.207 45.100 0.026 0.000 0.953 62 G HN 1.394 nan 8.290 nan 0.000 0.563 63 A N 1.312 124.226 122.820 0.156 0.000 2.981 63 A HA 0.502 4.823 4.320 0.001 0.000 0.280 63 A C 0.944 178.711 177.584 0.306 0.000 1.743 63 A CA 1.349 53.521 52.037 0.226 0.000 1.430 63 A CB -0.628 18.525 19.000 0.255 0.000 1.085 63 A HN 1.278 nan 8.150 nan 0.000 0.597 64 D N 0.006 120.536 120.400 0.217 0.000 2.527 64 D HA 0.211 4.852 4.640 0.001 0.000 0.224 64 D C 0.940 177.354 176.300 0.190 0.000 1.217 64 D CA 0.478 54.612 54.000 0.224 0.000 0.819 64 D CB -0.554 40.332 40.800 0.143 0.000 1.061 64 D HN 0.897 nan 8.370 nan 0.000 0.515 65 G N 1.130 110.035 108.800 0.175 0.000 2.155 65 G HA2 -0.396 3.565 3.960 0.001 0.000 0.257 65 G HA3 -0.396 3.565 3.960 0.001 0.000 0.257 65 G C 1.250 176.249 174.900 0.165 0.000 0.983 65 G CA 1.148 46.342 45.100 0.157 0.000 0.676 65 G HN 0.763 nan 8.290 nan 0.000 0.528 66 S N -0.706 115.106 115.700 0.187 0.000 2.400 66 S HA -0.067 4.404 4.470 0.001 0.000 0.232 66 S C 2.308 177.048 174.600 0.234 0.000 1.025 66 S CA 1.699 60.058 58.200 0.266 0.000 0.993 66 S CB -0.263 63.038 63.200 0.169 0.000 0.808 66 S HN 0.379 nan 8.310 nan 0.000 0.478 67 M N 0.948 120.632 119.600 0.140 0.000 2.229 67 M HA 0.111 4.591 4.480 0.001 0.000 0.264 67 M C 2.093 178.448 176.300 0.091 0.000 1.063 67 M CA 1.068 56.427 55.300 0.098 0.000 1.114 67 M CB -1.000 31.650 32.600 0.083 0.000 1.387 67 M HN 0.413 nan 8.290 nan 0.000 0.420 68 L N -0.890 120.389 121.223 0.092 0.000 2.202 68 L HA -0.073 4.267 4.340 0.001 0.000 0.205 68 L C 2.237 179.106 176.870 -0.001 0.000 1.083 68 L CA 0.641 55.515 54.840 0.056 0.000 0.790 68 L CB -0.535 41.564 42.059 0.067 0.000 0.942 68 L HN 0.247 nan 8.230 nan 0.000 0.452 69 L N -1.112 120.099 121.223 -0.019 0.000 2.240 69 L HA -0.045 4.295 4.340 0.001 0.000 0.211 69 L C 0.272 176.805 176.870 -0.563 0.000 1.106 69 L CA 0.917 55.603 54.840 -0.257 0.000 0.793 69 L CB 0.062 41.975 42.059 -0.242 0.000 0.927 69 L HN 0.130 nan 8.230 nan 0.000 0.446 70 F N -0.356 119.594 119.950 0.001 0.000 2.523 70 F HA 0.297 4.825 4.527 0.000 0.000 0.322 70 F C -1.573 174.205 175.800 -0.037 0.000 1.361 70 F CA -1.660 56.331 58.000 -0.016 0.000 1.151 70 F CB 0.347 39.336 39.000 -0.020 0.000 1.391 70 F HN -0.157 nan 8.300 nan 0.000 0.566 71 P HA -0.118 nan 4.420 nan 0.000 0.226 71 P C 1.319 178.627 177.300 0.013 0.000 1.153 71 P CA 1.294 64.412 63.100 0.030 0.000 0.777 71 P CB -0.044 31.663 31.700 0.012 0.000 0.794 72 T N -4.426 110.145 114.554 0.027 0.000 3.107 72 T HA 0.173 4.523 4.350 0.001 0.000 0.249 72 T C 1.408 176.090 174.700 -0.029 0.000 1.096 72 T CA -0.006 62.098 62.100 0.007 0.000 1.012 72 T CB -0.587 68.297 68.868 0.027 0.000 0.977 72 T HN -0.148 nan 8.240 nan 0.000 0.527 73 V N 1.382 121.260 119.914 -0.061 0.000 2.804 73 V HA 0.140 4.260 4.120 0.001 0.000 0.218 73 V C 2.512 178.243 176.094 -0.605 0.000 1.159 73 V CA 0.644 62.830 62.300 -0.189 0.000 1.223 73 V CB -0.568 31.194 31.823 -0.101 0.000 0.917 73 V HN 0.312 nan 8.190 nan 0.000 0.510 74 E N 0.789 120.571 120.200 -0.696 0.000 2.085 74 E HA -0.190 4.161 4.350 0.001 0.000 0.194 74 E C -0.547 175.686 176.600 -0.612 0.000 0.994 74 E CA 1.841 57.591 56.400 -1.085 0.000 0.801 74 E CB -1.180 28.273 29.700 -0.413 0.000 0.743 74 E HN 0.512 nan 8.360 nan 0.000 0.453 75 P HA -0.132 nan 4.420 nan 0.000 0.223 75 P C 0.125 177.375 177.300 -0.083 0.000 1.144 75 P CA 1.280 64.314 63.100 -0.109 0.000 0.783 75 P CB 0.008 31.678 31.700 -0.050 0.000 0.771 76 N N -2.353 116.258 118.700 -0.147 0.000 2.336 76 N HA 0.059 4.800 4.740 0.001 0.000 0.189 76 N C -0.231 175.350 175.510 0.118 0.000 1.113 76 N CA -0.270 52.771 53.050 -0.015 0.000 0.858 76 N CB -0.097 38.389 38.487 -0.002 0.000 0.970 76 N HN -0.016 nan 8.380 nan 0.000 0.471 77 F N 1.127 121.105 119.950 0.046 0.000 2.506 77 F HA 0.032 4.559 4.527 0.000 0.000 0.351 77 F C 2.047 177.877 175.800 0.050 0.000 1.136 77 F CA -1.327 56.697 58.000 0.039 0.000 1.298 77 F CB 0.454 39.472 39.000 0.031 0.000 1.145 77 F HN 0.028 nan 8.300 nan 0.000 0.593 78 S N 1.489 117.329 115.700 0.233 0.000 2.399 78 S HA -0.179 4.292 4.470 0.001 0.000 0.231 78 S C 1.918 176.613 174.600 0.158 0.000 1.022 78 S CA 0.776 59.067 58.200 0.151 0.000 0.983 78 S CB -0.739 62.521 63.200 0.099 0.000 0.803 78 S HN 0.671 nan 8.310 nan 0.000 0.480 79 A N 1.965 124.888 122.820 0.172 0.000 2.172 79 A HA 0.092 4.412 4.320 0.001 0.000 0.216 79 A C 1.727 179.458 177.584 0.244 0.000 1.154 79 A CA 0.926 53.064 52.037 0.169 0.000 0.701 79 A CB -0.433 18.634 19.000 0.111 0.000 0.789 79 A HN 0.558 nan 8.150 nan 0.000 0.465 80 N N 0.562 119.414 118.700 0.253 0.000 2.235 80 N HA 0.006 4.746 4.740 0.001 0.000 0.209 80 N C -0.180 175.419 175.510 0.148 0.000 1.122 80 N CA -0.134 53.068 53.050 0.253 0.000 0.845 80 N CB -0.204 38.404 38.487 0.201 0.000 1.004 80 N HN 0.343 nan 8.380 nan 0.000 0.499 81 N N 0.951 119.736 118.700 0.141 0.000 2.359 81 N HA 0.010 4.751 4.740 0.001 0.000 0.261 81 N C 1.334 176.888 175.510 0.074 0.000 1.267 81 N CA 1.578 54.687 53.050 0.098 0.000 0.864 81 N CB 0.179 38.724 38.487 0.098 0.000 1.063 81 N HN 0.437 nan 8.380 nan 0.000 0.474 82 G N 3.477 112.308 108.800 0.051 0.000 2.195 82 G HA2 -0.234 3.726 3.960 0.001 0.000 0.246 82 G HA3 -0.234 3.726 3.960 0.001 0.000 0.246 82 G C 0.899 175.807 174.900 0.014 0.000 0.984 82 G CA 0.175 45.296 45.100 0.035 0.000 0.633 82 G HN 0.543 nan 8.290 nan 0.000 0.525 83 I N 2.767 123.336 120.570 -0.002 0.000 2.830 83 I HA -0.005 4.165 4.170 0.001 0.000 0.263 83 I C 2.506 178.630 176.117 0.011 0.000 1.230 83 I CA 1.927 63.210 61.300 -0.029 0.000 1.480 83 I CB -0.845 37.124 38.000 -0.051 0.000 1.095 83 I HN 0.498 nan 8.210 nan 0.000 0.455 84 D N 0.813 121.227 120.400 0.023 0.000 2.149 84 D HA -0.243 4.398 4.640 0.001 0.000 0.198 84 D C 1.394 177.724 176.300 0.049 0.000 0.990 84 D CA 1.261 55.281 54.000 0.033 0.000 0.839 84 D CB -0.593 40.225 40.800 0.031 0.000 0.948 84 D HN 0.262 nan 8.370 nan 0.000 0.460 85 D N 0.636 121.065 120.400 0.050 0.000 2.117 85 D HA -0.152 4.488 4.640 0.001 0.000 0.197 85 D C 2.305 178.656 176.300 0.084 0.000 0.987 85 D CA 2.214 56.252 54.000 0.063 0.000 0.829 85 D CB -0.330 40.502 40.800 0.052 0.000 0.961 85 D HN 0.442 nan 8.370 nan 0.000 0.460 86 S N 0.463 116.210 115.700 0.078 0.000 2.383 86 S HA -0.105 4.365 4.470 0.001 0.000 0.227 86 S C 2.322 176.987 174.600 0.109 0.000 1.026 86 S CA 0.816 59.075 58.200 0.099 0.000 0.981 86 S CB -0.712 62.540 63.200 0.087 0.000 0.818 86 S HN 0.077 nan 8.310 nan 0.000 0.472 87 V N 3.371 123.338 119.914 0.087 0.000 2.295 87 V HA -0.168 3.952 4.120 0.001 0.000 0.246 87 V C 2.508 178.665 176.094 0.105 0.000 1.049 87 V CA 2.069 64.422 62.300 0.089 0.000 1.024 87 V CB -1.042 30.818 31.823 0.063 0.000 0.648 87 V HN 0.492 nan 8.190 nan 0.000 0.447 88 N N 0.596 119.359 118.700 0.106 0.000 2.289 88 N HA -0.127 4.614 4.740 0.001 0.000 0.184 88 N C 1.620 177.255 175.510 0.207 0.000 1.016 88 N CA 1.083 54.209 53.050 0.126 0.000 0.872 88 N CB -0.516 38.041 38.487 0.117 0.000 0.973 88 N HN 0.434 nan 8.380 nan 0.000 0.433 89 N N 0.411 119.256 118.700 0.241 0.000 2.331 89 N HA 0.070 4.810 4.740 0.001 0.000 0.180 89 N C 1.552 177.310 175.510 0.413 0.000 1.019 89 N CA 0.329 53.612 53.050 0.388 0.000 0.881 89 N CB 0.043 38.688 38.487 0.264 0.000 0.972 89 N HN 0.280 nan 8.380 nan 0.000 0.435 90 L N -0.293 121.093 121.223 0.272 0.000 2.354 90 L HA 0.180 4.520 4.340 0.001 0.000 0.212 90 L C 1.798 178.834 176.870 0.277 0.000 1.091 90 L CA 0.153 55.169 54.840 0.294 0.000 0.828 90 L CB -0.034 42.119 42.059 0.157 0.000 0.973 90 L HN 0.056 nan 8.230 nan 0.000 0.461 91 I N 0.983 121.645 120.570 0.152 0.000 2.194 91 I HA -0.242 3.929 4.170 0.001 0.000 0.246 91 I C -0.435 175.682 176.117 -0.001 0.000 1.093 91 I CA 1.710 63.049 61.300 0.066 0.000 1.355 91 I CB -1.133 36.880 38.000 0.022 0.000 1.046 91 I HN 0.206 nan 8.210 nan 0.000 0.413 92 P HA -0.142 nan 4.420 nan 0.000 0.220 92 P C 1.440 178.542 177.300 -0.330 0.000 1.148 92 P CA 1.454 64.348 63.100 -0.344 0.000 0.803 92 P CB -0.071 31.188 31.700 -0.735 0.000 0.782 93 F N -1.543 118.382 119.950 -0.042 0.000 2.259 93 F HA -0.020 4.507 4.527 0.001 0.000 0.298 93 F C 2.550 178.407 175.800 0.096 0.000 1.088 93 F CA 1.051 59.104 58.000 0.089 0.000 1.358 93 F CB -0.917 38.119 39.000 0.061 0.000 1.040 93 F HN -0.150 nan 8.300 nan 0.000 0.505 94 M N 0.033 119.750 119.600 0.195 0.000 2.159 94 M HA -0.261 4.219 4.480 0.001 0.000 0.263 94 M C 2.006 178.328 176.300 0.037 0.000 1.063 94 M CA 1.863 57.230 55.300 0.111 0.000 1.110 94 M CB -0.188 32.459 32.600 0.077 0.000 1.374 94 M HN 0.203 nan 8.290 nan 0.000 0.411 95 Q N -0.274 119.514 119.800 -0.020 0.000 2.123 95 Q HA -0.179 4.162 4.340 0.001 0.000 0.199 95 Q C 2.031 177.970 176.000 -0.100 0.000 0.966 95 Q CA 1.471 57.232 55.803 -0.070 0.000 0.845 95 Q CB -0.066 28.608 28.738 -0.107 0.000 0.907 95 Q HN 0.545 nan 8.270 nan 0.000 0.439 96 K N 0.212 120.535 120.400 -0.130 0.000 2.044 96 K HA -0.056 4.265 4.320 0.001 0.000 0.204 96 K C 0.574 176.993 176.600 -0.301 0.000 1.045 96 K CA 0.631 56.773 56.287 -0.241 0.000 0.951 96 K CB 0.271 32.573 32.500 -0.331 0.000 0.738 96 K HN 0.205 nan 8.250 nan 0.000 0.443 97 H N 2.051 121.095 119.070 -0.043 0.000 2.799 97 H HA 0.029 4.585 4.556 0.001 0.000 0.225 97 H C -0.113 175.174 175.328 -0.068 0.000 1.904 97 H CA -0.030 55.988 56.048 -0.049 0.000 1.344 97 H CB -0.185 29.564 29.762 -0.021 0.000 1.744 97 H HN 0.396 nan 8.280 nan 0.000 0.542 98 N N 0.164 118.845 118.700 -0.032 0.000 2.362 98 N HA -0.085 4.656 4.740 0.001 0.000 0.204 98 N C 1.071 176.560 175.510 -0.035 0.000 1.166 98 N CA 0.022 53.054 53.050 -0.030 0.000 0.831 98 N CB -0.135 38.322 38.487 -0.049 0.000 1.008 98 N HN 0.285 nan 8.380 nan 0.000 0.472 99 T N -3.109 111.416 114.554 -0.048 0.000 3.069 99 T HA 0.357 4.707 4.350 0.001 0.000 0.252 99 T C 0.471 175.124 174.700 -0.078 0.000 1.053 99 T CA -0.298 61.767 62.100 -0.058 0.000 0.964 99 T CB -0.085 68.742 68.868 -0.068 0.000 1.005 99 T HN 0.095 nan 8.240 nan 0.000 0.532 100 I N 3.147 123.664 120.570 -0.088 0.000 2.378 100 I HA 0.349 4.519 4.170 0.001 0.000 0.291 100 I C 0.455 176.582 176.117 0.016 0.000 0.992 100 I CA -0.960 60.279 61.300 -0.102 0.000 1.154 100 I CB 1.934 39.760 38.000 -0.290 0.000 1.315 100 I HN 0.237 nan 8.210 nan 0.000 0.448 101 S N 4.687 120.428 115.700 0.068 0.000 2.573 101 S HA 0.167 4.637 4.470 0.001 0.000 0.277 101 S C 1.360 176.030 174.600 0.116 0.000 1.346 101 S CA -0.078 58.175 58.200 0.088 0.000 1.034 101 S CB 1.401 64.661 63.200 0.101 0.000 0.879 101 S HN 0.767 nan 8.310 nan 0.000 0.528 102 A N 3.181 126.062 122.820 0.102 0.000 1.917 102 A HA -0.013 4.307 4.320 0.001 0.000 0.219 102 A C 2.453 180.129 177.584 0.153 0.000 1.182 102 A CA 2.213 54.320 52.037 0.116 0.000 0.633 102 A CB -1.719 17.335 19.000 0.090 0.000 0.819 102 A HN 1.450 nan 8.150 nan 0.000 0.448 103 A N -0.350 122.567 122.820 0.160 0.000 1.902 103 A HA -0.170 4.150 4.320 0.001 0.000 0.217 103 A C 1.811 179.528 177.584 0.222 0.000 1.181 103 A CA 1.968 54.116 52.037 0.185 0.000 0.623 103 A CB -0.619 18.494 19.000 0.187 0.000 0.818 103 A HN 0.460 nan 8.150 nan 0.000 0.443 104 D N -0.494 120.054 120.400 0.246 0.000 2.117 104 D HA -0.123 4.518 4.640 0.001 0.000 0.197 104 D C 1.859 178.439 176.300 0.467 0.000 0.987 104 D CA 1.250 55.497 54.000 0.411 0.000 0.829 104 D CB -0.432 40.661 40.800 0.488 0.000 0.961 104 D HN 0.331 nan 8.370 nan 0.000 0.460 105 L N 0.547 121.965 121.223 0.325 0.000 2.013 105 L HA -0.181 4.159 4.340 0.001 0.000 0.212 105 L C 2.143 179.155 176.870 0.237 0.000 1.073 105 L CA 1.540 56.538 54.840 0.264 0.000 0.753 105 L CB -0.656 41.509 42.059 0.177 0.000 0.890 105 L HN -0.081 nan 8.230 nan 0.000 0.432 106 V N -0.303 119.739 119.914 0.213 0.000 2.261 106 V HA -0.288 3.832 4.120 0.001 0.000 0.246 106 V C 2.733 178.942 176.094 0.191 0.000 1.047 106 V CA 1.914 64.323 62.300 0.181 0.000 1.015 106 V CB -0.729 31.197 31.823 0.172 0.000 0.642 106 V HN 0.538 nan 8.190 nan 0.000 0.446 107 Q N -0.983 118.967 119.800 0.250 0.000 2.084 107 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 107 Q C 2.069 178.180 176.000 0.185 0.000 0.978 107 Q CA 1.935 57.894 55.803 0.261 0.000 0.844 107 Q CB -0.662 28.290 28.738 0.357 0.000 0.898 107 Q HN 0.693 nan 8.270 nan 0.000 0.426 108 F N 1.109 121.020 119.950 -0.066 0.000 2.134 108 F HA -0.173 4.354 4.527 0.001 0.000 0.299 108 F C 2.146 177.821 175.800 -0.208 0.000 1.097 108 F CA 1.249 58.941 58.000 -0.513 0.000 1.264 108 F CB -0.059 38.511 39.000 -0.717 0.000 1.001 108 F HN 0.076 nan 8.300 nan 0.000 0.479 109 A N 0.345 123.136 122.820 -0.048 0.000 1.908 109 A HA -0.101 4.219 4.320 0.001 0.000 0.218 109 A C 2.431 179.976 177.584 -0.065 0.000 1.181 109 A CA 1.710 53.722 52.037 -0.042 0.000 0.627 109 A CB -1.808 17.233 19.000 0.069 0.000 0.818 109 A HN 0.509 nan 8.150 nan 0.000 0.445 110 G N -0.572 108.206 108.800 -0.036 0.000 2.418 110 G HA2 -0.002 3.958 3.960 0.001 0.000 0.217 110 G HA3 -0.002 3.958 3.960 0.001 0.000 0.217 110 G C 1.739 176.559 174.900 -0.134 0.000 1.158 110 G CA 1.466 46.541 45.100 -0.041 0.000 0.771 110 G HN 0.801 nan 8.290 nan 0.000 0.545 111 A N 0.105 122.808 122.820 -0.194 0.000 1.898 111 A HA 0.096 4.416 4.320 0.001 0.000 0.216 111 A C 2.617 179.997 177.584 -0.340 0.000 1.181 111 A CA 1.800 53.692 52.037 -0.241 0.000 0.620 111 A CB -0.640 18.206 19.000 -0.255 0.000 0.819 111 A HN 0.250 nan 8.150 nan 0.000 0.442 112 V N -0.003 119.620 119.914 -0.485 0.000 2.255 112 V HA -0.278 3.843 4.120 0.001 0.000 0.247 112 V C 3.087 178.962 176.094 -0.365 0.000 1.051 112 V CA 2.052 64.110 62.300 -0.403 0.000 1.018 112 V CB -1.374 30.240 31.823 -0.348 0.000 0.641 112 V HN 0.623 nan 8.190 nan 0.000 0.445 113 A N -0.309 122.191 122.820 -0.533 0.000 1.892 113 A HA -0.226 4.095 4.320 0.001 0.000 0.218 113 A C 2.229 179.547 177.584 -0.443 0.000 1.188 113 A CA 2.146 53.669 52.037 -0.857 0.000 0.631 113 A CB -0.696 17.755 19.000 -0.916 0.000 0.822 113 A HN 0.498 nan 8.150 nan 0.000 0.447 114 L N 0.516 121.561 121.223 -0.296 0.000 2.131 114 L HA -0.185 4.156 4.340 0.001 0.000 0.210 114 L C 2.909 179.633 176.870 -0.245 0.000 1.092 114 L CA 1.482 56.179 54.840 -0.239 0.000 0.759 114 L CB -0.346 41.590 42.059 -0.204 0.000 0.903 114 L HN 0.638 nan 8.230 nan 0.000 0.435 115 S N -0.697 114.866 115.700 -0.228 0.000 2.469 115 S HA -0.126 4.345 4.470 0.001 0.000 0.238 115 S C 1.543 176.056 174.600 -0.144 0.000 0.998 115 S CA 1.061 59.155 58.200 -0.177 0.000 0.957 115 S CB -0.385 62.720 63.200 -0.158 0.000 0.764 115 S HN 0.446 nan 8.310 nan 0.000 0.514 116 N N 0.534 119.136 118.700 -0.163 0.000 2.398 116 N HA 0.154 4.895 4.740 0.001 0.000 0.188 116 N C -0.578 174.886 175.510 -0.077 0.000 1.122 116 N CA 0.156 53.134 53.050 -0.120 0.000 0.866 116 N CB -0.215 38.179 38.487 -0.154 0.000 0.970 116 N HN 0.415 nan 8.380 nan 0.000 0.462 117 c N 2.917 121.471 118.600 -0.077 0.000 2.223 117 c HA 0.347 4.918 4.570 0.001 0.000 0.324 117 c C -2.189 171.907 174.090 0.009 0.000 1.196 117 c CA -1.867 54.465 56.329 0.004 0.000 1.628 117 c CB 0.665 43.201 42.510 0.043 0.000 2.229 117 c HN 0.133 nan 8.230 nan 0.000 0.486 118 P HA 0.163 nan 4.420 nan 0.000 0.258 118 P C 1.022 178.362 177.300 0.067 0.000 1.172 118 P CA 1.925 65.045 63.100 0.033 0.000 0.762 118 P CB 0.140 31.864 31.700 0.039 0.000 0.764 119 G N 2.162 110.987 108.800 0.041 0.000 2.213 119 G HA2 -0.158 3.802 3.960 0.001 0.000 0.226 119 G HA3 -0.158 3.802 3.960 0.001 0.000 0.226 119 G C 0.447 175.376 174.900 0.049 0.000 0.992 119 G CA -0.054 45.092 45.100 0.077 0.000 0.632 119 G HN 0.829 nan 8.290 nan 0.000 0.511 120 A N 1.729 124.470 122.820 -0.131 0.000 2.425 120 A HA 0.661 4.982 4.320 0.001 0.000 0.242 120 A C -1.011 176.409 177.584 -0.274 0.000 1.077 120 A CA -0.158 51.554 52.037 -0.542 0.000 0.781 120 A CB 0.243 18.811 19.000 -0.719 0.000 1.020 120 A HN 0.323 nan 8.150 nan 0.000 0.494 121 P HA 0.206 nan 4.420 nan 0.000 0.276 121 P C -0.724 176.521 177.300 -0.092 0.000 1.252 121 P CA -0.547 62.502 63.100 -0.086 0.000 0.802 121 P CB 0.610 32.311 31.700 0.001 0.000 1.035 122 R N 1.921 122.393 120.500 -0.047 0.000 2.248 122 R HA 0.291 4.631 4.340 0.001 0.000 0.337 122 R C 0.122 176.413 176.300 -0.014 0.000 1.106 122 R CA -0.478 55.599 56.100 -0.040 0.000 0.959 122 R CB -0.610 29.679 30.300 -0.018 0.000 1.075 122 R HN 0.468 nan 8.270 nan 0.000 0.480 123 L N 2.806 124.017 121.223 -0.021 0.000 2.483 123 L HA 0.044 4.385 4.340 0.001 0.000 0.275 123 L C 0.975 177.874 176.870 0.049 0.000 1.220 123 L CA 0.347 55.190 54.840 0.005 0.000 0.833 123 L CB 0.408 42.468 42.059 0.002 0.000 1.102 123 L HN 0.621 nan 8.230 nan 0.000 0.490 124 E N 1.768 121.996 120.200 0.047 0.000 2.413 124 E HA 0.008 4.358 4.350 0.001 0.000 0.263 124 E C -1.391 175.295 176.600 0.144 0.000 1.015 124 E CA -0.178 56.262 56.400 0.068 0.000 0.916 124 E CB 0.626 30.344 29.700 0.029 0.000 0.947 124 E HN 0.348 nan 8.360 nan 0.000 0.440 125 F N 6.050 125.989 119.950 -0.018 0.000 2.659 125 F HA 0.341 4.869 4.527 0.000 0.000 0.342 125 F C -1.700 174.048 175.800 -0.088 0.000 1.168 125 F CA -0.754 57.228 58.000 -0.031 0.000 1.003 125 F CB 0.572 39.584 39.000 0.020 0.000 1.267 125 F HN 0.306 nan 8.300 nan 0.000 0.463 126 L N 5.619 126.387 121.223 -0.759 0.000 2.343 126 L HA 0.899 5.239 4.340 0.001 0.000 0.275 126 L C 0.094 176.279 176.870 -1.141 0.000 1.056 126 L CA -0.896 53.505 54.840 -0.733 0.000 0.804 126 L CB 1.451 43.288 42.059 -0.369 0.000 1.203 126 L HN 0.737 nan 8.230 nan 0.000 0.440 127 A N 0.620 122.962 122.820 -0.797 0.000 2.387 127 A HA 0.839 5.159 4.320 0.001 0.000 0.303 127 A C 0.495 177.931 177.584 -0.247 0.000 1.145 127 A CA 0.122 51.830 52.037 -0.548 0.000 0.801 127 A CB 1.625 20.400 19.000 -0.375 0.000 1.342 127 A HN 0.965 nan 8.150 nan 0.000 0.440 128 G N -0.472 108.273 108.800 -0.092 0.000 2.175 128 G HA2 -0.150 3.811 3.960 0.001 0.000 0.182 128 G HA3 -0.150 3.811 3.960 0.001 0.000 0.182 128 G C 0.168 175.019 174.900 -0.081 0.000 1.003 128 G CA -0.018 45.043 45.100 -0.065 0.000 0.666 128 G HN 0.828 nan 8.290 nan 0.000 0.506 129 R N 1.137 121.554 120.500 -0.138 0.000 2.570 129 R HA 0.375 4.715 4.340 0.001 0.000 0.277 129 R C -2.136 174.189 176.300 0.041 0.000 1.039 129 R CA -1.031 54.972 56.100 -0.162 0.000 1.065 129 R CB 0.220 30.369 30.300 -0.252 0.000 0.964 129 R HN 0.163 nan 8.270 nan 0.000 0.428 130 P HA -0.019 nan 4.420 nan 0.000 0.271 130 P C -0.219 177.148 177.300 0.111 0.000 1.233 130 P CA -0.062 63.101 63.100 0.105 0.000 0.789 130 P CB 0.538 32.308 31.700 0.117 0.000 0.951 131 N N 0.064 118.813 118.700 0.082 0.000 2.295 131 N HA 0.077 4.817 4.740 0.001 0.000 0.221 131 N C -0.591 174.961 175.510 0.071 0.000 1.129 131 N CA 0.165 53.259 53.050 0.073 0.000 0.836 131 N CB -0.208 38.307 38.487 0.047 0.000 1.040 131 N HN 0.208 nan 8.380 nan 0.000 0.494 132 K N -0.983 119.472 120.400 0.091 0.000 2.427 132 K HA 0.506 4.826 4.320 0.001 0.000 0.252 132 K C -0.857 175.827 176.600 0.140 0.000 0.931 132 K CA -0.665 55.683 56.287 0.102 0.000 0.793 132 K CB 2.296 34.843 32.500 0.079 0.000 1.211 132 K HN -0.068 nan 8.250 nan 0.000 0.426 133 T N 1.035 115.715 114.554 0.209 0.000 2.630 133 T HA 0.605 4.956 4.350 0.001 0.000 0.300 133 T C -1.617 173.231 174.700 0.247 0.000 1.261 133 T CA -0.715 61.504 62.100 0.199 0.000 1.060 133 T CB 0.549 69.528 68.868 0.185 0.000 1.670 133 T HN 0.552 nan 8.240 nan 0.000 0.473 134 I N -0.162 120.435 120.570 0.045 0.000 3.067 134 I HA 0.948 5.119 4.170 0.001 0.000 0.312 134 I C -0.089 175.659 176.117 -0.614 0.000 1.073 134 I CA -1.606 59.515 61.300 -0.298 0.000 1.016 134 I CB 1.741 39.631 38.000 -0.184 0.000 1.227 134 I HN 0.689 nan 8.210 nan 0.000 0.456 135 A N 2.261 124.449 122.820 -1.053 0.000 2.401 135 A HA 0.742 5.063 4.320 0.001 0.000 0.259 135 A C 0.381 177.820 177.584 -0.241 0.000 1.103 135 A CA -0.062 51.570 52.037 -0.675 0.000 0.789 135 A CB 0.205 18.815 19.000 -0.651 0.000 1.035 135 A HN 1.081 nan 8.150 nan 0.000 0.491 136 A N 1.477 124.250 122.820 -0.078 0.000 2.296 136 A HA 0.558 4.878 4.320 0.001 0.000 0.264 136 A C 0.659 178.328 177.584 0.142 0.000 1.097 136 A CA 0.228 52.279 52.037 0.023 0.000 0.811 136 A CB -0.096 18.942 19.000 0.063 0.000 1.072 136 A HN 2.094 nan 8.150 nan 0.000 0.495 137 V N -1.086 118.882 119.914 0.090 0.000 2.997 137 V HA 0.469 4.590 4.120 0.001 0.000 0.311 137 V C 0.198 176.248 176.094 -0.074 0.000 1.066 137 V CA -0.848 61.477 62.300 0.042 0.000 1.039 137 V CB 1.035 32.833 31.823 -0.043 0.000 1.081 137 V HN 0.828 nan 8.190 nan 0.000 0.467 138 D N 0.729 120.820 120.400 -0.515 0.000 2.360 138 D HA 0.472 5.113 4.640 0.001 0.000 0.242 138 D C 1.190 177.276 176.300 -0.357 0.000 1.184 138 D CA 1.326 54.794 54.000 -0.887 0.000 0.930 138 D CB 1.147 41.210 40.800 -1.227 0.000 1.161 138 D HN 1.471 nan 8.370 nan 0.000 0.447 139 G N 0.953 109.597 108.800 -0.260 0.000 2.176 139 G HA2 -0.229 3.731 3.960 0.001 0.000 0.253 139 G HA3 -0.229 3.731 3.960 0.001 0.000 0.253 139 G C 1.061 175.900 174.900 -0.100 0.000 0.979 139 G CA 0.497 45.511 45.100 -0.143 0.000 0.641 139 G HN 0.462 nan 8.290 nan 0.000 0.530 140 L N 0.351 121.517 121.223 -0.095 0.000 2.567 140 L HA 0.363 4.703 4.340 0.001 0.000 0.225 140 L C 0.671 177.446 176.870 -0.158 0.000 1.119 140 L CA -0.065 54.713 54.840 -0.102 0.000 0.871 140 L CB 0.067 42.077 42.059 -0.082 0.000 1.036 140 L HN 0.122 nan 8.230 nan 0.000 0.459 141 I N 1.389 121.868 120.570 -0.152 0.000 2.315 141 I HA 0.312 4.482 4.170 0.001 0.000 0.291 141 I C -2.062 173.981 176.117 -0.123 0.000 1.006 141 I CA -2.575 58.577 61.300 -0.247 0.000 1.265 141 I CB 0.674 38.518 38.000 -0.260 0.000 1.387 141 I HN -0.246 nan 8.210 nan 0.000 0.475 142 P HA 0.163 nan 4.420 nan 0.000 0.267 142 P C -0.516 176.848 177.300 0.108 0.000 1.200 142 P CA 0.023 63.164 63.100 0.067 0.000 0.772 142 P CB 0.798 32.622 31.700 0.208 0.000 0.855 143 E N 3.204 123.470 120.200 0.110 0.000 2.256 143 E HA 0.205 4.556 4.350 0.001 0.000 0.267 143 E C -1.725 174.945 176.600 0.117 0.000 0.892 143 E CA -1.943 54.528 56.400 0.118 0.000 0.775 143 E CB 1.591 31.342 29.700 0.085 0.000 1.207 143 E HN 0.300 nan 8.360 nan 0.000 0.420 144 P HA -0.201 nan 4.420 nan 0.000 0.222 144 P C 0.946 178.289 177.300 0.072 0.000 1.147 144 P CA 1.179 64.335 63.100 0.093 0.000 0.790 144 P CB 0.324 32.075 31.700 0.084 0.000 0.780 145 Q N -0.744 119.097 119.800 0.069 0.000 2.451 145 Q HA 0.029 4.370 4.340 0.001 0.000 0.206 145 Q C -0.214 175.819 176.000 0.056 0.000 0.947 145 Q CA 0.479 56.315 55.803 0.056 0.000 0.937 145 Q CB -0.654 28.113 28.738 0.048 0.000 1.025 145 Q HN 0.171 nan 8.270 nan 0.000 0.511 146 D N 2.894 123.333 120.400 0.064 0.000 2.372 146 D HA 0.064 4.704 4.640 0.001 0.000 0.243 146 D C 0.139 176.476 176.300 0.061 0.000 1.121 146 D CA 0.196 54.233 54.000 0.063 0.000 0.898 146 D CB 1.164 42.009 40.800 0.076 0.000 1.202 146 D HN 0.293 nan 8.370 nan 0.000 0.428 147 S N 0.163 115.896 115.700 0.054 0.000 2.600 147 S HA 0.106 4.576 4.470 0.001 0.000 0.265 147 S C 1.375 176.007 174.600 0.053 0.000 1.325 147 S CA -0.860 57.370 58.200 0.050 0.000 1.002 147 S CB 0.992 64.217 63.200 0.042 0.000 0.921 147 S HN 0.204 nan 8.310 nan 0.000 0.554 148 V N 1.966 121.904 119.914 0.040 0.000 2.343 148 V HA -0.167 3.953 4.120 0.001 0.000 0.247 148 V C 2.814 178.941 176.094 0.054 0.000 1.051 148 V CA 2.494 64.817 62.300 0.038 0.000 1.036 148 V CB -1.643 30.186 31.823 0.011 0.000 0.654 148 V HN 1.048 nan 8.190 nan 0.000 0.451 149 T N -0.424 114.158 114.554 0.048 0.000 2.720 149 T HA -0.278 4.072 4.350 0.001 0.000 0.268 149 T C 1.963 176.704 174.700 0.069 0.000 1.037 149 T CA 2.084 64.215 62.100 0.053 0.000 1.144 149 T CB -0.210 68.683 68.868 0.041 0.000 0.864 149 T HN 0.514 nan 8.240 nan 0.000 0.444 150 K N 0.589 121.029 120.400 0.067 0.000 2.026 150 K HA -0.018 4.302 4.320 0.001 0.000 0.208 150 K C 2.235 178.900 176.600 0.109 0.000 1.048 150 K CA 1.199 57.529 56.287 0.072 0.000 0.929 150 K CB -0.297 32.238 32.500 0.059 0.000 0.713 150 K HN 0.296 nan 8.250 nan 0.000 0.439 151 I N 1.253 121.903 120.570 0.133 0.000 2.142 151 I HA -0.315 3.855 4.170 0.001 0.000 0.240 151 I C 2.246 178.546 176.117 0.305 0.000 1.078 151 I CA 1.238 62.672 61.300 0.224 0.000 1.343 151 I CB -0.257 37.860 38.000 0.194 0.000 1.046 151 I HN 0.195 nan 8.210 nan 0.000 0.405 152 L N 0.018 121.357 121.223 0.194 0.000 2.079 152 L HA -0.246 4.095 4.340 0.001 0.000 0.210 152 L C 2.713 179.713 176.870 0.217 0.000 1.081 152 L CA 1.191 56.146 54.840 0.191 0.000 0.752 152 L CB -0.715 41.410 42.059 0.110 0.000 0.896 152 L HN 0.406 nan 8.230 nan 0.000 0.433 153 Q N 0.711 120.607 119.800 0.159 0.000 2.050 153 Q HA -0.258 4.083 4.340 0.001 0.000 0.202 153 Q C 2.301 178.386 176.000 0.142 0.000 0.980 153 Q CA 1.766 57.645 55.803 0.127 0.000 0.840 153 Q CB -0.055 28.733 28.738 0.084 0.000 0.898 153 Q HN 0.276 nan 8.270 nan 0.000 0.424 154 R N -0.455 120.129 120.500 0.140 0.000 2.091 154 R HA -0.113 4.227 4.340 0.001 0.000 0.238 154 R C 2.184 178.535 176.300 0.085 0.000 1.136 154 R CA 1.662 57.803 56.100 0.068 0.000 0.959 154 R CB -0.772 29.531 30.300 0.004 0.000 0.856 154 R HN 0.240 nan 8.270 nan 0.000 0.437 155 F N 0.572 120.610 119.950 0.147 0.000 2.186 155 F HA -0.033 4.494 4.527 0.001 0.000 0.299 155 F C 2.418 178.406 175.800 0.313 0.000 1.090 155 F CA 1.793 59.941 58.000 0.248 0.000 1.307 155 F CB -0.290 38.816 39.000 0.176 0.000 1.019 155 F HN 0.248 nan 8.300 nan 0.000 0.489 156 E N 0.234 120.653 120.200 0.365 0.000 2.106 156 E HA -0.273 4.078 4.350 0.001 0.000 0.192 156 E C 1.684 178.370 176.600 0.144 0.000 0.984 156 E CA 1.570 58.108 56.400 0.229 0.000 0.806 156 E CB -0.165 29.630 29.700 0.160 0.000 0.750 156 E HN 0.378 nan 8.360 nan 0.000 0.458 157 D N -0.274 120.200 120.400 0.124 0.000 2.183 157 D HA -0.062 4.578 4.640 0.001 0.000 0.203 157 D C 1.783 178.118 176.300 0.059 0.000 0.969 157 D CA 1.355 55.395 54.000 0.067 0.000 0.842 157 D CB -0.016 40.811 40.800 0.045 0.000 0.957 157 D HN 0.267 nan 8.370 nan 0.000 0.484 158 A N -0.541 122.336 122.820 0.095 0.000 1.897 158 A HA 0.276 4.596 4.320 0.001 0.000 0.215 158 A C 1.962 179.601 177.584 0.092 0.000 1.181 158 A CA 1.500 53.592 52.037 0.091 0.000 0.620 158 A CB -0.277 18.782 19.000 0.099 0.000 0.821 158 A HN 0.356 nan 8.150 nan 0.000 0.443 159 G N -3.366 105.480 108.800 0.076 0.000 5.284 159 G HA2 0.466 4.426 3.960 0.001 0.000 0.236 159 G HA3 0.466 4.426 3.960 0.001 0.000 0.236 159 G C 0.841 175.512 174.900 -0.383 0.000 0.870 159 G CA 0.716 45.697 45.100 -0.197 0.000 0.724 159 G HN 1.599 nan 8.290 nan 0.000 0.336 160 G N -0.011 108.708 108.800 -0.135 0.000 2.143 160 G HA2 -0.297 3.664 3.960 0.001 0.000 0.248 160 G HA3 -0.297 3.664 3.960 0.001 0.000 0.248 160 G C 0.298 175.155 174.900 -0.072 0.000 0.991 160 G CA -0.021 45.019 45.100 -0.099 0.000 0.689 160 G HN 0.505 nan 8.290 nan 0.000 0.522 161 F N 2.034 122.072 119.950 0.146 0.000 2.529 161 F HA 0.407 4.935 4.527 0.000 0.000 0.365 161 F C 1.750 177.618 175.800 0.113 0.000 1.102 161 F CA 0.687 58.774 58.000 0.146 0.000 1.271 161 F CB 0.668 39.801 39.000 0.223 0.000 1.120 161 F HN 0.208 nan 8.300 nan 0.000 0.579 162 T N 0.730 115.449 114.554 0.276 0.000 2.849 162 T HA 0.232 4.583 4.350 0.001 0.000 0.284 162 T C -1.960 172.842 174.700 0.170 0.000 1.004 162 T CA -1.825 60.395 62.100 0.199 0.000 1.021 162 T CB 1.461 70.443 68.868 0.190 0.000 1.013 162 T HN 0.264 nan 8.240 nan 0.000 0.527 163 P HA -0.032 nan 4.420 nan 0.000 0.218 163 P C 1.167 178.515 177.300 0.079 0.000 1.148 163 P CA 0.620 63.764 63.100 0.072 0.000 0.822 163 P CB -0.129 31.620 31.700 0.082 0.000 0.784 164 F N 1.123 121.090 119.950 0.029 0.000 2.102 164 F HA -0.182 4.346 4.527 0.000 0.000 0.298 164 F C 2.014 177.840 175.800 0.044 0.000 1.105 164 F CA 1.675 59.696 58.000 0.035 0.000 1.239 164 F CB -0.564 38.462 39.000 0.043 0.000 0.991 164 F HN -0.096 nan 8.300 nan 0.000 0.474 165 E N -0.308 119.974 120.200 0.136 0.000 2.110 165 E HA -0.190 4.161 4.350 0.001 0.000 0.193 165 E C 2.307 178.785 176.600 -0.203 0.000 0.988 165 E CA 1.522 57.944 56.400 0.036 0.000 0.804 165 E CB -0.331 29.553 29.700 0.308 0.000 0.745 165 E HN 0.303 nan 8.360 nan 0.000 0.458 166 V N 0.805 120.554 119.914 -0.275 0.000 2.233 166 V HA -0.261 3.859 4.120 0.001 0.000 0.247 166 V C 2.336 178.168 176.094 -0.436 0.000 1.050 166 V CA 1.588 63.520 62.300 -0.613 0.000 1.010 166 V CB -0.476 30.959 31.823 -0.647 0.000 0.637 166 V HN 0.148 nan 8.190 nan 0.000 0.444 167 V N -0.119 119.650 119.914 -0.241 0.000 2.407 167 V HA -0.239 3.882 4.120 0.001 0.000 0.248 167 V C 2.555 178.556 176.094 -0.155 0.000 1.055 167 V CA 2.145 64.392 62.300 -0.089 0.000 1.049 167 V CB -0.772 31.080 31.823 0.049 0.000 0.662 167 V HN 0.549 nan 8.190 nan 0.000 0.455 168 S N 0.278 115.787 115.700 -0.318 0.000 2.365 168 S HA -0.180 4.290 4.470 0.001 0.000 0.225 168 S C 1.893 176.398 174.600 -0.159 0.000 1.039 168 S CA 1.645 59.593 58.200 -0.421 0.000 1.033 168 S CB -0.425 62.508 63.200 -0.446 0.000 0.887 168 S HN 0.500 nan 8.310 nan 0.000 0.447 169 L N 0.792 121.902 121.223 -0.188 0.000 2.191 169 L HA -0.020 4.320 4.340 0.001 0.000 0.212 169 L C 1.831 178.667 176.870 -0.058 0.000 1.103 169 L CA 0.791 55.578 54.840 -0.089 0.000 0.769 169 L CB -0.411 41.450 42.059 -0.329 0.000 0.908 169 L HN 0.283 nan 8.230 nan 0.000 0.438 170 L N -0.518 120.571 121.223 -0.223 0.000 2.610 170 L HA -0.020 4.320 4.340 0.001 0.000 0.232 170 L C 2.540 179.193 176.870 -0.361 0.000 1.149 170 L CA 0.091 54.716 54.840 -0.358 0.000 0.872 170 L CB -0.424 41.448 42.059 -0.311 0.000 0.992 170 L HN 0.199 nan 8.230 nan 0.000 0.447 171 A N 0.130 122.809 122.820 -0.235 0.000 2.076 171 A HA -0.215 4.105 4.320 0.001 0.000 0.220 171 A C 2.472 179.659 177.584 -0.662 0.000 1.160 171 A CA 1.736 53.487 52.037 -0.476 0.000 0.653 171 A CB -0.470 18.195 19.000 -0.560 0.000 0.801 171 A HN 0.542 nan 8.150 nan 0.000 0.455 172 S N -0.816 114.669 115.700 -0.358 0.000 2.469 172 S HA -0.210 4.260 4.470 0.001 0.000 0.238 172 S C 1.420 176.003 174.600 -0.029 0.000 0.998 172 S CA 1.266 59.389 58.200 -0.130 0.000 0.957 172 S CB -1.033 62.251 63.200 0.140 0.000 0.764 172 S HN 0.795 nan 8.310 nan 0.000 0.514 173 H N 0.514 119.440 119.070 -0.240 0.000 2.556 173 H HA 0.185 4.741 4.556 0.000 0.000 0.268 173 H C 1.979 177.164 175.328 -0.239 0.000 0.996 173 H CA 0.478 56.456 56.048 -0.117 0.000 1.157 173 H CB 0.104 29.810 29.762 -0.094 0.000 1.355 173 H HN 0.522 nan 8.280 nan 0.000 0.597 174 S N 0.842 116.340 115.700 -0.336 0.000 2.522 174 S HA -0.052 4.418 4.470 0.001 0.000 0.227 174 S C 1.045 175.451 174.600 -0.324 0.000 0.986 174 S CA 0.564 58.515 58.200 -0.415 0.000 0.929 174 S CB 0.028 62.822 63.200 -0.677 0.000 0.769 174 S HN 0.295 nan 8.310 nan 0.000 0.529 175 V N -0.821 118.917 119.914 -0.295 0.000 2.502 175 V HA 0.889 5.010 4.120 0.001 0.000 0.261 175 V C -0.477 175.147 176.094 -0.783 0.000 0.996 175 V CA -0.327 61.747 62.300 -0.375 0.000 1.095 175 V CB -0.108 31.675 31.823 -0.068 0.000 1.325 175 V HN 0.318 nan 8.190 nan 0.000 0.574 176 A N 2.110 124.530 122.820 -0.667 0.000 2.547 176 A HA 0.961 5.281 4.320 0.001 0.000 0.297 176 A C -0.579 176.485 177.584 -0.866 0.000 1.056 176 A CA -0.857 50.786 52.037 -0.655 0.000 0.688 176 A CB 2.118 20.941 19.000 -0.295 0.000 1.282 176 A HN 0.594 nan 8.150 nan 0.000 0.400 177 R N 0.300 120.322 120.500 -0.797 0.000 2.867 177 R HA 0.797 5.138 4.340 0.001 0.000 0.268 177 R C -0.660 175.229 176.300 -0.684 0.000 1.014 177 R CA -0.773 54.843 56.100 -0.806 0.000 0.946 177 R CB 2.508 32.595 30.300 -0.355 0.000 1.208 177 R HN 0.943 nan 8.270 nan 0.000 0.477 178 A N 0.833 123.343 122.820 -0.516 0.000 2.288 178 A HA 0.359 4.679 4.320 0.001 0.000 0.320 178 A C -0.507 177.047 177.584 -0.050 0.000 1.217 178 A CA -0.589 51.348 52.037 -0.166 0.000 0.840 178 A CB 0.570 19.595 19.000 0.042 0.000 1.179 178 A HN 0.751 nan 8.150 nan 0.000 0.504 179 D N 1.099 121.498 120.400 -0.002 0.000 2.423 179 D HA 0.060 4.700 4.640 0.001 0.000 0.208 179 D C 0.891 177.216 176.300 0.041 0.000 1.068 179 D CA 0.556 54.570 54.000 0.023 0.000 0.860 179 D CB 0.589 41.406 40.800 0.028 0.000 0.992 179 D HN 0.441 nan 8.370 nan 0.000 0.504 180 K N 0.290 120.724 120.400 0.057 0.000 2.399 180 K HA 0.185 4.505 4.320 0.001 0.000 0.196 180 K C 1.959 178.602 176.600 0.072 0.000 1.103 180 K CA 0.110 56.435 56.287 0.064 0.000 0.986 180 K CB 0.576 33.120 32.500 0.073 0.000 0.952 180 K HN -0.033 nan 8.250 nan 0.000 0.541 181 V N 1.760 121.728 119.914 0.090 0.000 2.343 181 V HA -0.139 3.981 4.120 0.001 0.000 0.247 181 V C 1.052 177.187 176.094 0.069 0.000 1.051 181 V CA 1.444 63.800 62.300 0.094 0.000 1.036 181 V CB -0.202 31.700 31.823 0.131 0.000 0.654 181 V HN 0.295 nan 8.190 nan 0.000 0.451 182 D N -0.605 119.833 120.400 0.063 0.000 2.217 182 D HA 0.387 5.028 4.640 0.001 0.000 0.243 182 D C 0.914 177.234 176.300 0.032 0.000 1.054 182 D CA 0.378 54.403 54.000 0.042 0.000 0.838 182 D CB 2.166 42.994 40.800 0.047 0.000 1.162 182 D HN 0.172 nan 8.370 nan 0.000 0.472 183 Q N 1.794 121.607 119.800 0.021 0.000 2.432 183 Q HA -0.040 4.300 4.340 0.001 0.000 0.205 183 Q C 1.732 177.740 176.000 0.015 0.000 0.945 183 Q CA 1.625 57.440 55.803 0.019 0.000 0.924 183 Q CB -0.605 28.142 28.738 0.015 0.000 1.016 183 Q HN 0.738 nan 8.270 nan 0.000 0.503 184 T N -2.057 112.505 114.554 0.012 0.000 3.010 184 T HA 0.278 4.628 4.350 0.001 0.000 0.252 184 T C 1.138 175.844 174.700 0.010 0.000 1.047 184 T CA 0.508 62.613 62.100 0.008 0.000 1.140 184 T CB -0.532 68.339 68.868 0.005 0.000 0.885 184 T HN 0.745 nan 8.240 nan 0.000 0.464 185 I N -0.511 120.069 120.570 0.017 0.000 2.707 185 I HA 0.838 5.008 4.170 0.001 0.000 0.309 185 I C -0.525 175.604 176.117 0.020 0.000 1.001 185 I CA -1.171 60.138 61.300 0.015 0.000 1.129 185 I CB 1.440 39.454 38.000 0.023 0.000 1.308 185 I HN 0.187 nan 8.210 nan 0.000 0.466 186 D N 2.788 123.199 120.400 0.018 0.000 2.490 186 D HA 0.646 5.287 4.640 0.001 0.000 0.232 186 D C 0.382 176.712 176.300 0.050 0.000 1.053 186 D CA -0.617 53.403 54.000 0.032 0.000 0.914 186 D CB 1.822 42.646 40.800 0.040 0.000 1.431 186 D HN 1.826 nan 8.370 nan 0.000 0.483 187 A N -1.016 121.832 122.820 0.046 0.000 2.687 187 A HA 0.266 4.587 4.320 0.001 0.000 0.299 187 A C 0.917 178.496 177.584 -0.008 0.000 1.497 187 A CA 1.062 53.123 52.037 0.041 0.000 0.751 187 A CB -2.085 17.037 19.000 0.204 0.000 1.048 187 A HN 2.309 nan 8.150 nan 0.000 0.464 188 A N 1.211 123.996 122.820 -0.059 0.000 2.410 188 A HA 0.580 4.900 4.320 0.001 0.000 0.292 188 A C -1.305 176.153 177.584 -0.209 0.000 1.232 188 A CA -0.788 51.208 52.037 -0.068 0.000 0.893 188 A CB -0.000 19.000 19.000 -0.001 0.000 1.131 188 A HN 0.554 nan 8.150 nan 0.000 0.530 189 P HA 0.154 nan 4.420 nan 0.000 0.275 189 P C -0.045 177.152 177.300 -0.172 0.000 1.228 189 P CA -0.212 62.696 63.100 -0.320 0.000 0.786 189 P CB 0.529 32.078 31.700 -0.252 0.000 0.927 190 F N 0.472 120.307 119.950 -0.193 0.000 2.710 190 F HA 0.071 4.599 4.527 0.000 0.000 0.298 190 F C 1.243 176.954 175.800 -0.149 0.000 1.137 190 F CA 0.435 58.332 58.000 -0.172 0.000 1.444 190 F CB -0.498 38.358 39.000 -0.239 0.000 1.111 190 F HN 0.317 nan 8.300 nan 0.000 0.580 191 D N -2.706 117.678 120.400 -0.026 0.000 2.626 191 D HA 0.140 4.781 4.640 0.001 0.000 0.278 191 D C 0.453 176.691 176.300 -0.103 0.000 1.211 191 D CA -0.261 53.700 54.000 -0.065 0.000 0.903 191 D CB 0.673 41.409 40.800 -0.106 0.000 1.408 191 D HN -0.160 nan 8.370 nan 0.000 0.454 192 S N -1.439 114.214 115.700 -0.078 0.000 2.607 192 S HA 0.087 4.558 4.470 0.001 0.000 0.224 192 S C 0.699 175.236 174.600 -0.105 0.000 0.969 192 S CA 0.630 58.786 58.200 -0.074 0.000 0.927 192 S CB -1.025 62.158 63.200 -0.028 0.000 0.772 192 S HN 0.768 nan 8.310 nan 0.000 0.533 193 T N -1.217 113.249 114.554 -0.146 0.000 3.658 193 T HA 0.417 4.767 4.350 0.001 0.000 0.245 193 T C -2.233 172.316 174.700 -0.251 0.000 1.292 193 T CA -1.285 60.723 62.100 -0.154 0.000 1.598 193 T CB 1.326 70.146 68.868 -0.081 0.000 0.861 193 T HN 0.041 nan 8.240 nan 0.000 0.663 194 P HA 0.098 nan 4.420 nan 0.000 0.242 194 P C 0.169 177.214 177.300 -0.426 0.000 1.197 194 P CA 0.191 62.966 63.100 -0.542 0.000 0.765 194 P CB -0.265 31.008 31.700 -0.712 0.000 0.936 195 F N -0.562 119.419 119.950 0.051 0.000 2.653 195 F HA 0.261 4.788 4.527 0.000 0.000 0.304 195 F C 0.711 176.538 175.800 0.044 0.000 1.092 195 F CA -0.104 57.939 58.000 0.072 0.000 1.279 195 F CB -0.432 38.574 39.000 0.010 0.000 1.044 195 F HN -0.262 nan 8.300 nan 0.000 0.564 196 T N 0.143 114.765 114.554 0.113 0.000 2.841 196 T HA 0.248 4.598 4.350 0.001 0.000 0.285 196 T C -0.807 173.916 174.700 0.037 0.000 0.991 196 T CA -0.365 61.784 62.100 0.080 0.000 0.966 196 T CB 1.306 70.198 68.868 0.039 0.000 0.962 196 T HN -0.034 nan 8.240 nan 0.000 0.438 197 F N 5.378 125.278 119.950 -0.083 0.000 2.659 197 F HA 0.226 4.753 4.527 0.001 0.000 0.360 197 F C 0.380 176.099 175.800 -0.134 0.000 1.218 197 F CA -0.666 57.245 58.000 -0.148 0.000 1.317 197 F CB -0.442 38.453 39.000 -0.176 0.000 1.697 197 F HN 0.586 nan 8.300 nan 0.000 0.637 198 D N -0.983 119.288 120.400 -0.214 0.000 2.616 198 D HA 0.204 4.844 4.640 0.001 0.000 0.260 198 D C 0.849 177.009 176.300 -0.233 0.000 1.158 198 D CA -0.339 53.563 54.000 -0.164 0.000 1.085 198 D CB 0.306 41.054 40.800 -0.086 0.000 1.222 198 D HN 0.067 nan 8.370 nan 0.000 0.626 199 T N -3.206 111.272 114.554 -0.126 0.000 3.122 199 T HA -0.001 4.349 4.350 0.001 0.000 0.250 199 T C 1.086 175.765 174.700 -0.034 0.000 1.067 199 T CA -0.147 61.929 62.100 -0.039 0.000 0.966 199 T CB -0.051 68.802 68.868 -0.026 0.000 1.002 199 T HN 0.184 nan 8.240 nan 0.000 0.542 200 Q N 0.964 120.703 119.800 -0.102 0.000 2.152 200 Q HA -0.079 4.261 4.340 0.001 0.000 0.206 200 Q C 2.399 178.337 176.000 -0.102 0.000 0.985 200 Q CA 1.245 56.995 55.803 -0.089 0.000 0.863 200 Q CB -1.035 27.649 28.738 -0.090 0.000 0.904 200 Q HN 0.530 nan 8.270 nan 0.000 0.422 201 V N 0.389 120.171 119.914 -0.220 0.000 2.392 201 V HA -0.262 3.858 4.120 0.001 0.000 0.249 201 V C 1.896 177.824 176.094 -0.277 0.000 1.059 201 V CA 1.613 63.743 62.300 -0.283 0.000 1.051 201 V CB -0.495 31.047 31.823 -0.468 0.000 0.658 201 V HN 0.219 nan 8.190 nan 0.000 0.455 202 F N -0.731 119.093 119.950 -0.210 0.000 2.146 202 F HA -0.094 4.433 4.527 0.000 0.000 0.298 202 F C 2.079 177.971 175.800 0.152 0.000 1.096 202 F CA 1.823 59.663 58.000 -0.265 0.000 1.275 202 F CB -0.598 38.064 39.000 -0.564 0.000 1.008 202 F HN 0.244 nan 8.300 nan 0.000 0.480 203 L N 0.498 121.841 121.223 0.199 0.000 2.056 203 L HA -0.135 4.206 4.340 0.001 0.000 0.207 203 L C 2.004 178.984 176.870 0.183 0.000 1.078 203 L CA 1.888 56.842 54.840 0.190 0.000 0.749 203 L CB -0.806 41.254 42.059 0.003 0.000 0.901 203 L HN 0.109 nan 8.230 nan 0.000 0.433 204 E N -1.047 119.225 120.200 0.120 0.000 2.152 204 E HA -0.130 4.220 4.350 0.001 0.000 0.192 204 E C 2.106 178.792 176.600 0.144 0.000 0.983 204 E CA 1.099 57.564 56.400 0.108 0.000 0.818 204 E CB -0.045 29.687 29.700 0.054 0.000 0.758 204 E HN 0.383 nan 8.360 nan 0.000 0.467 205 V N 1.244 121.279 119.914 0.201 0.000 2.759 205 V HA -0.173 3.947 4.120 0.001 0.000 0.256 205 V C 1.873 178.058 176.094 0.152 0.000 1.080 205 V CA 1.180 63.585 62.300 0.176 0.000 1.101 205 V CB -0.246 31.702 31.823 0.208 0.000 0.698 205 V HN 0.291 nan 8.190 nan 0.000 0.477 206 L N -0.552 120.787 121.223 0.193 0.000 2.591 206 L HA 0.185 4.526 4.340 0.001 0.000 0.228 206 L C 0.589 177.561 176.870 0.171 0.000 1.133 206 L CA 0.182 55.117 54.840 0.158 0.000 0.880 206 L CB -0.115 42.066 42.059 0.203 0.000 1.033 206 L HN 0.258 nan 8.230 nan 0.000 0.450 207 L N 0.150 121.473 121.223 0.167 0.000 2.418 207 L HA 0.183 4.524 4.340 0.001 0.000 0.265 207 L C 0.712 177.650 176.870 0.114 0.000 1.143 207 L CA -0.334 54.589 54.840 0.139 0.000 0.809 207 L CB 0.538 42.682 42.059 0.142 0.000 1.124 207 L HN -0.009 nan 8.230 nan 0.000 0.456 208 K N 1.314 121.756 120.400 0.071 0.000 2.447 208 K HA 0.116 4.436 4.320 0.001 0.000 0.281 208 K C 0.161 176.758 176.600 -0.006 0.000 1.031 208 K CA -0.176 56.133 56.287 0.036 0.000 1.019 208 K CB 0.588 33.092 32.500 0.007 0.000 0.918 208 K HN 0.775 nan 8.250 nan 0.000 0.476 209 G N 1.868 110.636 108.800 -0.053 0.000 2.483 209 G HA2 0.284 4.244 3.960 0.001 0.000 0.248 209 G HA3 0.284 4.244 3.960 0.001 0.000 0.248 209 G C 0.544 175.360 174.900 -0.141 0.000 1.248 209 G CA -0.378 44.638 45.100 -0.140 0.000 0.838 209 G HN 0.629 nan 8.290 nan 0.000 0.566 210 V N -0.407 119.416 119.914 -0.152 0.000 3.398 210 V HA 0.718 4.838 4.120 0.001 0.000 0.298 210 V C 0.810 176.834 176.094 -0.118 0.000 1.496 210 V CA 0.690 62.926 62.300 -0.106 0.000 1.044 210 V CB -0.162 31.627 31.823 -0.057 0.000 0.880 210 V HN 1.404 nan 8.190 nan 0.000 0.443 211 G N -0.174 108.491 108.800 -0.225 0.000 2.341 211 G HA2 0.542 4.502 3.960 0.001 0.000 0.299 211 G HA3 0.542 4.502 3.960 0.001 0.000 0.299 211 G C -2.098 172.559 174.900 -0.405 0.000 1.274 211 G CA -0.635 44.365 45.100 -0.166 0.000 0.853 211 G HN 0.072 nan 8.290 nan 0.000 0.493 212 F N 0.537 120.480 119.950 -0.012 0.000 2.551 212 F HA 0.555 5.082 4.527 0.001 0.000 0.316 212 F C -1.258 174.542 175.800 -0.000 0.000 1.089 212 F CA -1.756 56.238 58.000 -0.009 0.000 0.915 212 F CB 2.850 41.842 39.000 -0.013 0.000 1.186 212 F HN 0.257 nan 8.300 nan 0.000 0.456 213 P HA 0.074 nan 4.420 nan 0.000 0.223 213 P C 0.493 177.852 177.300 0.098 0.000 1.151 213 P CA 1.046 64.206 63.100 0.100 0.000 0.787 213 P CB 0.697 32.444 31.700 0.079 0.000 0.788 214 G N -0.354 108.522 108.800 0.127 0.000 3.359 214 G HA2 0.328 4.288 3.960 0.001 0.000 0.187 214 G HA3 0.328 4.288 3.960 0.001 0.000 0.187 214 G C -0.687 174.242 174.900 0.048 0.000 1.294 214 G CA -0.081 45.063 45.100 0.073 0.000 0.769 214 G HN 0.104 nan 8.290 nan 0.000 0.733 215 S N 0.165 115.857 115.700 -0.013 0.000 2.617 215 S HA 0.505 4.975 4.470 0.001 0.000 0.269 215 S C 0.955 175.370 174.600 -0.309 0.000 1.292 215 S CA 0.144 58.280 58.200 -0.107 0.000 1.010 215 S CB 1.687 64.829 63.200 -0.097 0.000 0.944 215 S HN 1.027 nan 8.310 nan 0.000 0.536 216 A N 0.397 122.921 122.820 -0.494 0.000 2.275 216 A HA 0.339 4.659 4.320 0.001 0.000 0.212 216 A C 1.424 178.542 177.584 -0.778 0.000 1.201 216 A CA 0.344 51.685 52.037 -1.159 0.000 0.843 216 A CB -1.259 17.250 19.000 -0.817 0.000 0.873 216 A HN 0.970 nan 8.150 nan 0.000 0.492 217 N N 0.410 118.874 118.700 -0.394 0.000 2.282 217 N HA 0.207 4.947 4.740 0.001 0.000 0.240 217 N C -0.231 175.197 175.510 -0.137 0.000 1.182 217 N CA -0.408 52.505 53.050 -0.229 0.000 0.874 217 N CB -0.521 37.876 38.487 -0.151 0.000 1.126 217 N HN 0.647 nan 8.380 nan 0.000 0.516 218 N N 0.425 119.051 118.700 -0.123 0.000 2.488 218 N HA 0.208 4.948 4.740 0.001 0.000 0.274 218 N C -0.269 175.236 175.510 -0.009 0.000 1.111 218 N CA -0.164 52.863 53.050 -0.038 0.000 0.974 218 N CB 0.963 39.450 38.487 0.000 0.000 1.089 218 N HN 0.152 nan 8.380 nan 0.000 0.465 219 T N 1.397 115.955 114.554 0.006 0.000 2.934 219 T HA 0.192 4.542 4.350 0.001 0.000 0.306 219 T C 1.490 176.215 174.700 0.041 0.000 1.042 219 T CA 0.979 63.092 62.100 0.021 0.000 1.145 219 T CB 0.396 69.281 68.868 0.027 0.000 0.982 219 T HN 0.840 nan 8.240 nan 0.000 0.544 220 G N 2.083 110.909 108.800 0.043 0.000 2.162 220 G HA2 -0.227 3.734 3.960 0.001 0.000 0.260 220 G HA3 -0.227 3.734 3.960 0.001 0.000 0.260 220 G C -0.078 174.853 174.900 0.051 0.000 0.976 220 G CA 0.432 45.563 45.100 0.052 0.000 0.655 220 G HN 0.822 nan 8.290 nan 0.000 0.533 221 E N -0.361 119.876 120.200 0.062 0.000 2.227 221 E HA 0.686 5.037 4.350 0.001 0.000 0.268 221 E C 0.177 176.846 176.600 0.115 0.000 0.907 221 E CA -0.404 56.052 56.400 0.093 0.000 0.786 221 E CB 2.437 32.225 29.700 0.147 0.000 1.191 221 E HN 0.725 nan 8.360 nan 0.000 0.411 222 V N -0.564 119.387 119.914 0.061 0.000 3.158 222 V HA 0.850 4.970 4.120 0.001 0.000 0.311 222 V C -0.102 175.854 176.094 -0.230 0.000 1.181 222 V CA -0.860 61.417 62.300 -0.038 0.000 1.054 222 V CB 1.004 32.614 31.823 -0.356 0.000 1.085 222 V HN 0.856 nan 8.190 nan 0.000 0.446 223 A N 1.174 123.666 122.820 -0.547 0.000 2.520 223 A HA 0.533 4.853 4.320 0.001 0.000 0.235 223 A C 0.526 177.784 177.584 -0.543 0.000 1.065 223 A CA 0.878 52.305 52.037 -1.017 0.000 0.764 223 A CB -0.007 18.553 19.000 -0.732 0.000 1.002 223 A HN 1.682 nan 8.150 nan 0.000 0.502 224 S N 1.982 117.391 115.700 -0.485 0.000 2.549 224 S HA 0.646 5.116 4.470 0.001 0.000 0.297 224 S C -1.690 172.816 174.600 -0.156 0.000 1.115 224 S CA -1.412 56.655 58.200 -0.222 0.000 1.059 224 S CB 1.435 64.549 63.200 -0.144 0.000 1.046 224 S HN 0.531 nan 8.310 nan 0.000 0.506 225 P HA 0.195 nan 4.420 nan 0.000 0.240 225 P C -0.099 177.192 177.300 -0.015 0.000 1.190 225 P CA 0.421 63.504 63.100 -0.029 0.000 0.781 225 P CB 0.018 31.731 31.700 0.023 0.000 0.931 226 L N 1.236 122.448 121.223 -0.018 0.000 2.625 226 L HA 0.328 4.668 4.340 0.001 0.000 0.255 226 L C -1.868 174.998 176.870 -0.007 0.000 1.493 226 L CA -1.260 53.578 54.840 -0.003 0.000 0.796 226 L CB 1.784 43.850 42.059 0.012 0.000 1.064 226 L HN -0.217 nan 8.230 nan 0.000 0.516 227 P HA -0.064 nan 4.420 nan 0.000 0.241 227 P C 0.561 177.870 177.300 0.014 0.000 1.191 227 P CA 0.091 63.188 63.100 -0.005 0.000 0.771 227 P CB 0.539 32.225 31.700 -0.023 0.000 0.929 228 L N 1.060 122.290 121.223 0.012 0.000 2.455 228 L HA 0.493 4.833 4.340 0.001 0.000 0.272 228 L C 0.277 177.158 176.870 0.018 0.000 1.174 228 L CA 0.483 55.332 54.840 0.016 0.000 0.869 228 L CB -0.011 42.057 42.059 0.014 0.000 1.130 228 L HN -0.026 nan 8.230 nan 0.000 0.474 229 G N 2.424 111.236 108.800 0.019 0.000 2.642 229 G HA2 0.655 4.615 3.960 0.001 0.000 0.293 229 G HA3 0.655 4.615 3.960 0.001 0.000 0.293 229 G C -1.683 173.225 174.900 0.012 0.000 1.341 229 G CA -0.441 44.669 45.100 0.017 0.000 0.916 229 G HN 0.711 nan 8.290 nan 0.000 0.474 230 S N -1.016 114.689 115.700 0.008 0.000 2.562 230 S HA 0.620 5.090 4.470 0.001 0.000 0.274 230 S C 0.694 175.290 174.600 -0.008 0.000 1.160 230 S CA 1.017 59.218 58.200 0.002 0.000 0.933 230 S CB 0.779 63.983 63.200 0.008 0.000 1.100 230 S HN 2.606 nan 8.310 nan 0.000 0.468 231 G N 3.777 112.566 108.800 -0.018 0.000 2.629 231 G HA2 -0.342 3.618 3.960 0.001 0.000 0.313 231 G HA3 -0.342 3.618 3.960 0.001 0.000 0.313 231 G C 1.102 175.960 174.900 -0.071 0.000 1.217 231 G CA 1.354 46.432 45.100 -0.036 0.000 0.994 231 G HN 1.979 nan 8.290 nan 0.000 0.549 232 S N 0.087 115.717 115.700 -0.116 0.000 2.575 232 S HA 0.261 4.731 4.470 0.001 0.000 0.215 232 S C 0.453 174.943 174.600 -0.183 0.000 0.966 232 S CA 1.085 59.128 58.200 -0.263 0.000 0.911 232 S CB 0.385 63.298 63.200 -0.478 0.000 0.780 232 S HN 0.457 nan 8.310 nan 0.000 0.514 233 D N 3.675 124.058 120.400 -0.028 0.000 2.551 233 D HA 0.220 4.861 4.640 0.001 0.000 0.223 233 D C -0.251 176.071 176.300 0.037 0.000 1.144 233 D CA 0.273 54.308 54.000 0.059 0.000 1.025 233 D CB 0.164 41.002 40.800 0.063 0.000 1.085 233 D HN 0.245 nan 8.370 nan 0.000 0.506 234 T N 0.299 114.878 114.554 0.042 0.000 2.940 234 T HA 0.326 4.676 4.350 0.001 0.000 0.309 234 T C 1.181 175.896 174.700 0.025 0.000 1.056 234 T CA -0.380 61.736 62.100 0.028 0.000 1.137 234 T CB 1.067 69.954 68.868 0.032 0.000 0.976 234 T HN 0.299 nan 8.240 nan 0.000 0.547 235 G N 1.095 109.909 108.800 0.023 0.000 2.667 235 G HA2 0.281 4.242 3.960 0.001 0.000 0.250 235 G HA3 0.281 4.242 3.960 0.001 0.000 0.250 235 G C -0.172 174.737 174.900 0.016 0.000 1.212 235 G CA -0.611 44.501 45.100 0.019 0.000 0.874 235 G HN 0.827 nan 8.290 nan 0.000 0.561 236 E N -0.324 119.883 120.200 0.011 0.000 2.392 236 E HA 0.256 4.607 4.350 0.001 0.000 0.264 236 E C 0.118 176.747 176.600 0.049 0.000 1.024 236 E CA -0.210 56.202 56.400 0.020 0.000 0.903 236 E CB 0.494 30.203 29.700 0.014 0.000 0.963 236 E HN 0.411 nan 8.360 nan 0.000 0.432 237 M N 4.450 124.118 119.600 0.113 0.000 2.508 237 M HA 0.368 4.849 4.480 0.001 0.000 0.327 237 M C -0.966 175.431 176.300 0.161 0.000 1.160 237 M CA -0.768 54.626 55.300 0.157 0.000 0.980 237 M CB 1.441 34.181 32.600 0.233 0.000 1.693 237 M HN 0.495 nan 8.290 nan 0.000 0.452 238 R N 4.682 125.210 120.500 0.046 0.000 2.437 238 R HA 0.569 4.909 4.340 0.001 0.000 0.310 238 R C -1.710 174.547 176.300 -0.073 0.000 0.955 238 R CA -0.580 55.497 56.100 -0.038 0.000 0.851 238 R CB 1.163 31.423 30.300 -0.067 0.000 1.161 238 R HN 0.834 nan 8.270 nan 0.000 0.446 239 L N 4.030 125.141 121.223 -0.187 0.000 2.371 239 L HA 0.092 4.432 4.340 0.001 0.000 0.272 239 L C 1.768 178.614 176.870 -0.040 0.000 1.124 239 L CA -0.269 54.486 54.840 -0.141 0.000 0.816 239 L CB 1.483 43.381 42.059 -0.268 0.000 1.129 239 L HN 0.733 nan 8.230 nan 0.000 0.448 240 Q N 1.774 121.576 119.800 0.004 0.000 2.112 240 Q HA -0.210 4.131 4.340 0.001 0.000 0.206 240 Q C 1.917 177.969 176.000 0.087 0.000 0.987 240 Q CA 2.497 58.334 55.803 0.056 0.000 0.858 240 Q CB 0.125 28.895 28.738 0.054 0.000 0.905 240 Q HN 0.924 nan 8.270 nan 0.000 0.420 241 S N 0.257 115.979 115.700 0.037 0.000 2.368 241 S HA -0.114 4.357 4.470 0.001 0.000 0.224 241 S C 1.506 176.078 174.600 -0.047 0.000 1.029 241 S CA 1.117 59.330 58.200 0.022 0.000 0.988 241 S CB -0.276 62.952 63.200 0.046 0.000 0.838 241 S HN 0.282 nan 8.310 nan 0.000 0.462 242 D N 1.219 121.577 120.400 -0.070 0.000 2.097 242 D HA -0.036 4.605 4.640 0.001 0.000 0.195 242 D C 1.551 177.600 176.300 -0.419 0.000 0.989 242 D CA 0.974 54.862 54.000 -0.187 0.000 0.827 242 D CB -0.570 40.191 40.800 -0.065 0.000 0.966 242 D HN 0.452 nan 8.370 nan 0.000 0.456 243 F N 1.593 121.343 119.950 -0.333 0.000 2.095 243 F HA -0.240 4.288 4.527 0.000 0.000 0.298 243 F C 2.202 177.847 175.800 -0.259 0.000 1.104 243 F CA 1.923 59.748 58.000 -0.292 0.000 1.232 243 F CB -0.119 38.818 39.000 -0.105 0.000 0.987 243 F HN -0.052 nan 8.300 nan 0.000 0.475 244 A N 0.640 123.406 122.820 -0.091 0.000 1.902 244 A HA -0.153 4.168 4.320 0.001 0.000 0.217 244 A C 2.226 179.644 177.584 -0.277 0.000 1.181 244 A CA 1.861 53.810 52.037 -0.145 0.000 0.623 244 A CB -1.226 17.779 19.000 0.007 0.000 0.818 244 A HN 0.516 nan 8.150 nan 0.000 0.443 245 L N -0.802 120.232 121.223 -0.316 0.000 2.083 245 L HA -0.176 4.164 4.340 0.001 0.000 0.209 245 L C 2.993 179.571 176.870 -0.487 0.000 1.083 245 L CA 0.989 55.653 54.840 -0.293 0.000 0.752 245 L CB -0.416 41.543 42.059 -0.168 0.000 0.899 245 L HN 0.429 nan 8.230 nan 0.000 0.433 246 A N -1.305 120.903 122.820 -1.020 0.000 2.067 246 A HA -0.173 4.147 4.320 0.001 0.000 0.219 246 A C 1.881 178.898 177.584 -0.945 0.000 1.158 246 A CA 1.281 52.513 52.037 -1.343 0.000 0.661 246 A CB -0.473 17.345 19.000 -1.970 0.000 0.801 246 A HN 0.462 nan 8.150 nan 0.000 0.452 247 H N -1.211 117.551 119.070 -0.514 0.000 2.874 247 H HA 0.114 4.671 4.556 0.000 0.000 0.264 247 H C -0.178 175.011 175.328 -0.231 0.000 1.007 247 H CA -0.252 55.568 56.048 -0.380 0.000 1.207 247 H CB 0.179 29.614 29.762 -0.545 0.000 1.487 247 H HN 0.480 nan 8.280 nan 0.000 0.505 248 D N 2.010 122.340 120.400 -0.117 0.000 2.382 248 D HA 0.007 4.647 4.640 0.001 0.000 0.245 248 D C -1.668 174.614 176.300 -0.031 0.000 1.120 248 D CA -1.651 52.315 54.000 -0.056 0.000 0.890 248 D CB 2.409 43.178 40.800 -0.052 0.000 1.201 248 D HN 0.004 nan 8.370 nan 0.000 0.433 249 P HA -0.081 nan 4.420 nan 0.000 0.219 249 P C 1.059 178.364 177.300 0.010 0.000 1.146 249 P CA 1.061 64.162 63.100 0.002 0.000 0.808 249 P CB 0.241 31.944 31.700 0.004 0.000 0.779 250 R N -1.084 119.422 120.500 0.011 0.000 2.148 250 R HA -0.014 4.327 4.340 0.001 0.000 0.227 250 R C 1.519 177.839 176.300 0.033 0.000 1.103 250 R CA 1.897 58.011 56.100 0.024 0.000 0.983 250 R CB -0.563 29.752 30.300 0.026 0.000 0.874 250 R HN 0.336 nan 8.270 nan 0.000 0.451 251 T N -4.597 109.970 114.554 0.022 0.000 3.016 251 T HA 0.340 4.690 4.350 0.001 0.000 0.271 251 T C 1.641 176.379 174.700 0.063 0.000 0.968 251 T CA 0.181 62.310 62.100 0.048 0.000 0.891 251 T CB 0.702 69.597 68.868 0.046 0.000 1.149 251 T HN 0.091 nan 8.240 nan 0.000 0.524 252 A N 1.157 123.987 122.820 0.017 0.000 1.908 252 A HA -0.060 4.261 4.320 0.001 0.000 0.218 252 A C 2.469 180.100 177.584 0.078 0.000 1.181 252 A CA 1.700 53.746 52.037 0.015 0.000 0.627 252 A CB -1.422 17.569 19.000 -0.014 0.000 0.818 252 A HN 0.674 nan 8.150 nan 0.000 0.445 253 c N -0.855 117.776 118.600 0.052 0.000 2.440 253 c HA 0.008 4.578 4.570 0.001 0.000 0.278 253 c C 2.557 176.643 174.090 -0.005 0.000 1.295 253 c CA 0.754 57.105 56.329 0.036 0.000 1.738 253 c CB -1.337 41.187 42.510 0.023 0.000 1.987 253 c HN 0.628 nan 8.230 nan 0.000 0.492 254 I N -0.258 120.310 120.570 -0.003 0.000 2.226 254 I HA -0.245 3.926 4.170 0.001 0.000 0.245 254 I C 2.640 178.584 176.117 -0.288 0.000 1.100 254 I CA 1.528 62.744 61.300 -0.140 0.000 1.374 254 I CB -0.513 37.472 38.000 -0.026 0.000 1.057 254 I HN 0.586 nan 8.210 nan 0.000 0.413 255 W N 2.050 123.243 121.300 -0.178 0.000 2.333 255 W HA -0.286 4.374 4.660 0.000 0.000 0.316 255 W C 2.514 178.971 176.519 -0.103 0.000 1.215 255 W CA 2.102 59.416 57.345 -0.051 0.000 1.278 255 W CB -0.439 29.037 29.460 0.027 0.000 1.154 255 W HN 0.264 nan 8.180 nan 0.000 0.486 256 Q N -0.115 119.799 119.800 0.190 0.000 2.170 256 Q HA -0.109 4.231 4.340 0.001 0.000 0.203 256 Q C 2.269 178.198 176.000 -0.119 0.000 0.976 256 Q CA 1.926 57.801 55.803 0.120 0.000 0.858 256 Q CB -0.799 28.048 28.738 0.182 0.000 0.907 256 Q HN 0.254 nan 8.270 nan 0.000 0.433 257 G N -0.558 108.102 108.800 -0.234 0.000 2.498 257 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 257 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 257 G C 0.865 175.570 174.900 -0.325 0.000 1.119 257 G CA 0.298 45.241 45.100 -0.261 0.000 0.766 257 G HN 0.400 nan 8.290 nan 0.000 0.552 258 F N 0.072 119.766 119.950 -0.427 0.000 2.754 258 F HA 0.229 4.756 4.527 0.000 0.000 0.297 258 F C 1.025 176.559 175.800 -0.444 0.000 1.122 258 F CA -0.680 56.931 58.000 -0.648 0.000 1.400 258 F CB 0.511 38.575 39.000 -1.559 0.000 1.117 258 F HN -0.222 nan 8.300 nan 0.000 0.587 259 V N 1.899 121.703 119.914 -0.184 0.000 2.540 259 V HA -0.119 4.002 4.120 0.001 0.000 0.297 259 V C 0.711 176.707 176.094 -0.162 0.000 1.024 259 V CA 0.382 62.595 62.300 -0.144 0.000 1.105 259 V CB 0.071 31.758 31.823 -0.227 0.000 0.938 259 V HN 0.579 nan 8.190 nan 0.000 0.482 260 N N 3.123 121.752 118.700 -0.119 0.000 2.708 260 N HA -0.184 4.556 4.740 0.001 0.000 0.251 260 N C 0.066 175.546 175.510 -0.049 0.000 1.123 260 N CA 1.288 54.280 53.050 -0.097 0.000 0.739 260 N CB -0.414 37.988 38.487 -0.140 0.000 1.113 260 N HN 0.805 nan 8.380 nan 0.000 0.561 261 E N 0.183 120.379 120.200 -0.007 0.000 3.167 261 E HA 0.087 4.437 4.350 0.001 0.000 0.212 261 E C 0.776 177.433 176.600 0.095 0.000 1.143 261 E CA -0.340 56.110 56.400 0.083 0.000 1.002 261 E CB 1.074 30.904 29.700 0.215 0.000 1.315 261 E HN 0.423 nan 8.360 nan 0.000 0.422 262 Q N 2.110 121.933 119.800 0.038 0.000 2.045 262 Q HA -0.184 4.157 4.340 0.001 0.000 0.206 262 Q C 1.769 177.805 176.000 0.060 0.000 0.991 262 Q CA 2.589 58.404 55.803 0.021 0.000 0.851 262 Q CB -0.094 28.655 28.738 0.019 0.000 0.911 262 Q HN 0.437 nan 8.270 nan 0.000 0.418 263 A N -0.599 122.280 122.820 0.097 0.000 1.969 263 A HA -0.084 4.237 4.320 0.001 0.000 0.218 263 A C 1.963 179.666 177.584 0.200 0.000 1.169 263 A CA 1.200 53.308 52.037 0.118 0.000 0.635 263 A CB -0.882 18.176 19.000 0.097 0.000 0.810 263 A HN 0.568 nan 8.150 nan 0.000 0.445 264 F N 0.201 120.186 119.950 0.059 0.000 2.146 264 F HA -0.118 4.409 4.527 0.001 0.000 0.298 264 F C 2.180 178.053 175.800 0.121 0.000 1.096 264 F CA 1.682 59.760 58.000 0.129 0.000 1.275 264 F CB -0.480 38.614 39.000 0.158 0.000 1.008 264 F HN 0.277 nan 8.300 nan 0.000 0.480 265 M N -0.073 119.465 119.600 -0.103 0.000 2.067 265 M HA -0.155 4.325 4.480 0.001 0.000 0.260 265 M C 2.299 178.416 176.300 -0.305 0.000 1.069 265 M CA 2.171 57.082 55.300 -0.648 0.000 1.117 265 M CB -0.497 31.744 32.600 -0.599 0.000 1.334 265 M HN 0.202 nan 8.290 nan 0.000 0.407 266 A N 0.228 123.030 122.820 -0.030 0.000 1.877 266 A HA -0.072 4.248 4.320 0.001 0.000 0.216 266 A C 2.301 179.954 177.584 0.115 0.000 1.186 266 A CA 2.030 54.142 52.037 0.125 0.000 0.620 266 A CB -1.223 17.849 19.000 0.119 0.000 0.822 266 A HN 0.674 nan 8.150 nan 0.000 0.443 267 A N -0.543 122.336 122.820 0.099 0.000 1.902 267 A HA -0.072 4.248 4.320 0.001 0.000 0.217 267 A C 2.443 180.094 177.584 0.112 0.000 1.181 267 A CA 2.124 54.233 52.037 0.120 0.000 0.623 267 A CB -0.856 18.247 19.000 0.172 0.000 0.818 267 A HN 0.467 nan 8.150 nan 0.000 0.443 268 S N -1.148 114.589 115.700 0.061 0.000 2.368 268 S HA -0.105 4.366 4.470 0.001 0.000 0.224 268 S C 1.653 176.245 174.600 -0.013 0.000 1.029 268 S CA 1.321 59.548 58.200 0.045 0.000 0.988 268 S CB -0.506 62.621 63.200 -0.123 0.000 0.838 268 S HN 0.613 nan 8.310 nan 0.000 0.462 269 F N 2.754 122.587 119.950 -0.196 0.000 2.134 269 F HA -0.081 4.446 4.527 0.001 0.000 0.299 269 F C 2.440 178.212 175.800 -0.047 0.000 1.097 269 F CA 1.525 59.449 58.000 -0.127 0.000 1.264 269 F CB -0.264 38.719 39.000 -0.029 0.000 1.001 269 F HN 0.001 nan 8.300 nan 0.000 0.479 270 R N 0.321 120.836 120.500 0.026 0.000 2.081 270 R HA -0.168 4.173 4.340 0.001 0.000 0.235 270 R C 2.355 178.612 176.300 -0.072 0.000 1.131 270 R CA 1.395 57.461 56.100 -0.057 0.000 0.960 270 R CB -0.689 29.629 30.300 0.029 0.000 0.856 270 R HN 0.383 nan 8.270 nan 0.000 0.436 271 A N 0.623 123.442 122.820 -0.001 0.000 1.902 271 A HA -0.109 4.211 4.320 0.001 0.000 0.217 271 A C 2.334 179.936 177.584 0.031 0.000 1.181 271 A CA 1.740 53.801 52.037 0.040 0.000 0.623 271 A CB -0.726 18.337 19.000 0.106 0.000 0.818 271 A HN 0.548 nan 8.150 nan 0.000 0.443 272 A N -1.134 121.677 122.820 -0.015 0.000 1.930 272 A HA -0.044 4.277 4.320 0.001 0.000 0.217 272 A C 2.140 179.708 177.584 -0.026 0.000 1.175 272 A CA 1.747 53.799 52.037 0.026 0.000 0.627 272 A CB -0.434 18.515 19.000 -0.084 0.000 0.815 272 A HN 0.414 nan 8.150 nan 0.000 0.443 273 M N -0.297 119.146 119.600 -0.260 0.000 2.229 273 M HA -0.082 4.399 4.480 0.001 0.000 0.264 273 M C 2.375 178.650 176.300 -0.043 0.000 1.063 273 M CA 1.586 56.741 55.300 -0.241 0.000 1.114 273 M CB -1.367 30.952 32.600 -0.467 0.000 1.387 273 M HN 0.527 nan 8.290 nan 0.000 0.420 274 S N 0.394 116.082 115.700 -0.021 0.000 2.383 274 S HA -0.199 4.271 4.470 0.001 0.000 0.229 274 S C 1.997 176.637 174.600 0.066 0.000 1.030 274 S CA 1.718 59.932 58.200 0.023 0.000 1.002 274 S CB -0.017 63.195 63.200 0.021 0.000 0.829 274 S HN 0.509 nan 8.310 nan 0.000 0.467 275 K N -0.100 120.371 120.400 0.118 0.000 2.076 275 K HA 0.049 4.370 4.320 0.001 0.000 0.204 275 K C 2.155 178.910 176.600 0.259 0.000 1.051 275 K CA 1.033 57.409 56.287 0.148 0.000 0.949 275 K CB -0.339 32.248 32.500 0.145 0.000 0.726 275 K HN 0.356 nan 8.250 nan 0.000 0.443 276 L N 1.071 122.524 121.223 0.382 0.000 2.083 276 L HA -0.035 4.306 4.340 0.001 0.000 0.209 276 L C 2.097 179.120 176.870 0.254 0.000 1.083 276 L CA 1.983 57.071 54.840 0.414 0.000 0.752 276 L CB -0.519 41.690 42.059 0.249 0.000 0.899 276 L HN 0.221 nan 8.230 nan 0.000 0.433 277 A N -1.056 121.868 122.820 0.173 0.000 2.121 277 A HA -0.016 4.304 4.320 0.001 0.000 0.218 277 A C 1.718 179.391 177.584 0.149 0.000 1.154 277 A CA 1.323 53.453 52.037 0.155 0.000 0.679 277 A CB -0.786 18.289 19.000 0.124 0.000 0.795 277 A HN 0.524 nan 8.150 nan 0.000 0.458 278 V N -2.982 117.020 119.914 0.147 0.000 3.176 278 V HA 0.417 4.538 4.120 0.001 0.000 0.332 278 V C 0.233 176.464 176.094 0.228 0.000 1.414 278 V CA -0.604 61.796 62.300 0.168 0.000 1.133 278 V CB -0.885 30.984 31.823 0.076 0.000 1.088 278 V HN 0.265 nan 8.190 nan 0.000 0.473 279 L N 2.309 123.654 121.223 0.202 0.000 2.525 279 L HA 0.435 4.775 4.340 0.001 0.000 0.278 279 L C 1.595 178.507 176.870 0.069 0.000 1.218 279 L CA 1.527 56.447 54.840 0.133 0.000 0.878 279 L CB 0.229 42.383 42.059 0.157 0.000 1.127 279 L HN 0.625 nan 8.230 nan 0.000 0.492 280 G N 1.590 110.352 108.800 -0.063 0.000 2.176 280 G HA2 -0.240 3.721 3.960 0.001 0.000 0.253 280 G HA3 -0.240 3.721 3.960 0.001 0.000 0.253 280 G C -0.073 174.512 174.900 -0.525 0.000 0.979 280 G CA 0.047 44.981 45.100 -0.276 0.000 0.641 280 G HN 0.771 nan 8.290 nan 0.000 0.530 281 H N -1.056 118.022 119.070 0.013 0.000 2.928 281 H HA 0.603 5.159 4.556 0.000 0.000 0.371 281 H C -0.427 174.896 175.328 -0.008 0.000 1.186 281 H CA -0.782 55.268 56.048 0.004 0.000 1.134 281 H CB 1.160 30.924 29.762 0.003 0.000 1.824 281 H HN 0.081 nan 8.280 nan 0.000 0.554 282 N N 1.473 120.247 118.700 0.122 0.000 2.414 282 N HA 0.030 4.770 4.740 0.001 0.000 0.256 282 N C 0.860 176.394 175.510 0.040 0.000 1.029 282 N CA -0.393 52.690 53.050 0.055 0.000 0.948 282 N CB 0.790 39.296 38.487 0.031 0.000 1.102 282 N HN 0.767 nan 8.380 nan 0.000 0.496 283 R N 2.994 123.506 120.500 0.019 0.000 2.193 283 R HA -0.071 4.270 4.340 0.001 0.000 0.229 283 R C 0.354 176.636 176.300 -0.029 0.000 1.110 283 R CA 1.434 57.527 56.100 -0.012 0.000 0.988 283 R CB -0.395 29.896 30.300 -0.016 0.000 0.871 283 R HN 0.454 nan 8.270 nan 0.000 0.458 284 N N 0.227 118.918 118.700 -0.016 0.000 2.550 284 N HA -0.016 4.724 4.740 0.001 0.000 0.186 284 N C 0.369 175.862 175.510 -0.029 0.000 1.110 284 N CA 0.867 53.904 53.050 -0.022 0.000 0.912 284 N CB 0.411 38.891 38.487 -0.012 0.000 0.968 284 N HN 0.152 nan 8.380 nan 0.000 0.448 285 S N -0.143 115.542 115.700 -0.026 0.000 2.554 285 S HA 0.279 4.749 4.470 0.001 0.000 0.226 285 S C 0.047 174.609 174.600 -0.063 0.000 0.980 285 S CA -0.198 57.985 58.200 -0.029 0.000 0.939 285 S CB 0.412 63.614 63.200 0.002 0.000 0.832 285 S HN 0.151 nan 8.310 nan 0.000 0.486 286 L N 1.324 122.489 121.223 -0.096 0.000 2.334 286 L HA 0.624 4.964 4.340 0.001 0.000 0.276 286 L C -0.376 176.383 176.870 -0.185 0.000 1.014 286 L CA -0.784 53.962 54.840 -0.157 0.000 0.815 286 L CB 1.651 43.590 42.059 -0.201 0.000 1.268 286 L HN 0.131 nan 8.230 nan 0.000 0.428 287 I N 1.229 121.659 120.570 -0.233 0.000 2.612 287 I HA 0.144 4.314 4.170 0.001 0.000 0.295 287 I C -0.109 175.840 176.117 -0.280 0.000 1.011 287 I CA -0.051 61.071 61.300 -0.297 0.000 1.326 287 I CB 1.175 38.944 38.000 -0.385 0.000 1.427 287 I HN 0.568 nan 8.210 nan 0.000 0.537 288 D N 6.105 126.387 120.400 -0.198 0.000 2.339 288 D HA 0.196 4.837 4.640 0.001 0.000 0.241 288 D C -0.619 175.690 176.300 0.015 0.000 1.183 288 D CA -0.152 53.800 54.000 -0.080 0.000 0.859 288 D CB 0.647 41.459 40.800 0.021 0.000 1.067 288 D HN 0.531 nan 8.370 nan 0.000 0.484 289 c N 2.934 121.485 118.600 -0.083 0.000 2.638 289 c HA 0.174 4.745 4.570 0.001 0.000 0.282 289 c C 2.040 176.222 174.090 0.154 0.000 1.473 289 c CA -0.381 55.967 56.329 0.032 0.000 1.781 289 c CB -1.166 41.290 42.510 -0.090 0.000 2.780 289 c HN 0.584 nan 8.230 nan 0.000 0.531 290 S N 2.097 117.867 115.700 0.117 0.000 2.419 290 S HA -0.160 4.310 4.470 0.001 0.000 0.233 290 S C 1.812 176.491 174.600 0.132 0.000 1.016 290 S CA 1.761 60.050 58.200 0.148 0.000 0.974 290 S CB -0.224 63.029 63.200 0.088 0.000 0.786 290 S HN 0.864 nan 8.310 nan 0.000 0.492 291 D N 1.604 122.069 120.400 0.108 0.000 2.350 291 D HA -0.072 4.568 4.640 0.001 0.000 0.216 291 D C 1.538 177.903 176.300 0.109 0.000 0.968 291 D CA 0.850 54.903 54.000 0.087 0.000 0.894 291 D CB -0.367 40.469 40.800 0.061 0.000 0.909 291 D HN 0.513 nan 8.370 nan 0.000 0.520 292 V N -2.138 117.870 119.914 0.156 0.000 3.621 292 V HA 0.220 4.341 4.120 0.001 0.000 0.285 292 V C 0.710 176.967 176.094 0.272 0.000 1.346 292 V CA -0.603 61.813 62.300 0.194 0.000 1.104 292 V CB -0.168 31.771 31.823 0.194 0.000 0.913 292 V HN -0.122 nan 8.190 nan 0.000 0.432 293 V N 3.268 123.312 119.914 0.216 0.000 2.572 293 V HA 0.247 4.367 4.120 0.001 0.000 0.291 293 V C -1.817 174.289 176.094 0.020 0.000 1.039 293 V CA -0.945 61.404 62.300 0.082 0.000 1.055 293 V CB 0.515 32.359 31.823 0.034 0.000 0.969 293 V HN 0.408 nan 8.190 nan 0.000 0.482 294 P HA 0.068 nan 4.420 nan 0.000 0.268 294 P C -0.374 176.906 177.300 -0.033 0.000 1.208 294 P CA -0.122 62.963 63.100 -0.025 0.000 0.777 294 P CB 0.357 32.022 31.700 -0.058 0.000 0.875 295 V N 5.270 125.175 119.914 -0.015 0.000 2.572 295 V HA 0.125 4.245 4.120 0.001 0.000 0.291 295 V C -1.447 174.625 176.094 -0.038 0.000 1.039 295 V CA -0.935 61.353 62.300 -0.020 0.000 1.055 295 V CB 0.034 31.854 31.823 -0.006 0.000 0.969 295 V HN 0.642 nan 8.190 nan 0.000 0.482 296 P HA 0.222 nan 4.420 nan 0.000 0.274 296 P C -0.687 176.586 177.300 -0.046 0.000 1.237 296 P CA -0.691 62.369 63.100 -0.067 0.000 0.793 296 P CB 0.787 32.434 31.700 -0.089 0.000 0.977 297 K N 2.608 122.980 120.400 -0.047 0.000 2.451 297 K HA 0.165 4.486 4.320 0.001 0.000 0.280 297 K C -1.836 174.754 176.600 -0.018 0.000 1.020 297 K CA -1.130 55.140 56.287 -0.027 0.000 1.008 297 K CB -0.378 32.108 32.500 -0.024 0.000 0.917 297 K HN 0.430 nan 8.250 nan 0.000 0.478 298 P HA 0.062 nan 4.420 nan 0.000 0.276 298 P C -0.834 176.472 177.300 0.010 0.000 1.244 298 P CA -0.425 62.675 63.100 0.001 0.000 0.801 298 P CB 0.868 32.569 31.700 0.003 0.000 1.006 299 A N 1.401 124.231 122.820 0.017 0.000 2.346 299 A HA 0.315 4.636 4.320 0.001 0.000 0.252 299 A C 1.598 179.192 177.584 0.017 0.000 1.089 299 A CA 0.394 52.444 52.037 0.023 0.000 0.797 299 A CB -0.695 18.322 19.000 0.028 0.000 1.047 299 A HN 0.656 nan 8.150 nan 0.000 0.494 300 T N -2.307 112.257 114.554 0.017 0.000 3.023 300 T HA 0.326 4.676 4.350 0.001 0.000 0.266 300 T C 1.384 176.091 174.700 0.012 0.000 1.093 300 T CA 1.278 63.387 62.100 0.014 0.000 1.129 300 T CB -0.229 68.647 68.868 0.014 0.000 0.899 300 T HN 2.459 nan 8.240 nan 0.000 0.491 301 G N 0.680 109.488 108.800 0.013 0.000 2.175 301 G HA2 -0.226 3.734 3.960 0.001 0.000 0.244 301 G HA3 -0.226 3.734 3.960 0.001 0.000 0.244 301 G C -0.110 174.795 174.900 0.008 0.000 0.982 301 G CA -0.036 45.070 45.100 0.011 0.000 0.641 301 G HN 0.667 nan 8.290 nan 0.000 0.527 302 Q N 0.781 120.586 119.800 0.008 0.000 2.352 302 Q HA 0.393 4.733 4.340 0.001 0.000 0.260 302 Q C -1.890 174.109 176.000 -0.000 0.000 0.976 302 Q CA -1.177 54.630 55.803 0.006 0.000 0.881 302 Q CB 0.598 29.341 28.738 0.009 0.000 1.235 302 Q HN 0.267 nan 8.270 nan 0.000 0.419 303 P HA 0.051 nan 4.420 nan 0.000 0.272 303 P C -1.173 176.114 177.300 -0.021 0.000 1.240 303 P CA -0.209 62.884 63.100 -0.012 0.000 0.791 303 P CB 0.444 32.141 31.700 -0.006 0.000 0.978 304 A N 2.038 124.832 122.820 -0.044 0.000 2.445 304 A HA 0.489 4.809 4.320 0.001 0.000 0.242 304 A C -0.032 177.515 177.584 -0.062 0.000 1.075 304 A CA 0.254 52.252 52.037 -0.065 0.000 0.777 304 A CB -0.402 18.537 19.000 -0.102 0.000 1.013 304 A HN 0.506 nan 8.150 nan 0.000 0.493 305 M N 0.868 120.433 119.600 -0.058 0.000 2.501 305 M HA 0.385 4.865 4.480 0.001 0.000 0.293 305 M C -1.379 174.910 176.300 -0.018 0.000 1.192 305 M CA -0.118 55.179 55.300 -0.005 0.000 0.886 305 M CB 1.991 34.623 32.600 0.054 0.000 1.710 305 M HN 0.582 nan 8.290 nan 0.000 0.457 306 F N 2.453 122.446 119.950 0.071 0.000 2.543 306 F HA 0.240 4.767 4.527 0.000 0.000 0.375 306 F C -1.877 173.949 175.800 0.044 0.000 1.075 306 F CA -1.011 57.029 58.000 0.066 0.000 1.225 306 F CB -0.067 38.973 39.000 0.065 0.000 1.099 306 F HN 0.192 nan 8.300 nan 0.000 0.561 307 P HA 0.086 nan 4.420 nan 0.000 0.269 307 P C -0.760 176.612 177.300 0.121 0.000 1.215 307 P CA -0.314 62.859 63.100 0.121 0.000 0.780 307 P CB 0.560 32.311 31.700 0.085 0.000 0.898 308 A N 2.813 125.682 122.820 0.081 0.000 2.561 308 A HA 0.334 4.655 4.320 0.001 0.000 0.234 308 A C 1.161 178.774 177.584 0.049 0.000 1.055 308 A CA 1.263 53.336 52.037 0.059 0.000 0.756 308 A CB -1.004 18.022 19.000 0.043 0.000 0.986 308 A HN 0.940 nan 8.150 nan 0.000 0.505 309 S N -0.660 115.060 115.700 0.033 0.000 2.541 309 S HA -0.193 4.277 4.470 0.001 0.000 0.262 309 S C 0.337 174.949 174.600 0.020 0.000 1.321 309 S CA 1.696 59.908 58.200 0.020 0.000 1.243 309 S CB -2.882 60.330 63.200 0.020 0.000 1.531 309 S HN 2.686 nan 8.310 nan 0.000 0.656 310 T N -1.422 113.158 114.554 0.043 0.000 2.926 310 T HA 0.893 5.243 4.350 0.001 0.000 0.289 310 T C 0.309 174.966 174.700 -0.071 0.000 1.054 310 T CA -0.145 61.981 62.100 0.044 0.000 1.015 310 T CB 1.514 70.483 68.868 0.168 0.000 1.167 310 T HN 1.909 nan 8.240 nan 0.000 0.526 311 G N -0.098 108.545 108.800 -0.261 0.000 2.495 311 G HA2 0.549 4.509 3.960 0.001 0.000 0.294 311 G HA3 0.549 4.509 3.960 0.001 0.000 0.294 311 G C -2.721 171.602 174.900 -0.961 0.000 1.397 311 G CA -1.030 43.590 45.100 -0.802 0.000 0.790 311 G HN 0.432 nan 8.290 nan 0.000 0.486 312 P HA -0.117 nan 4.420 nan 0.000 0.219 312 P C 1.858 179.015 177.300 -0.240 0.000 1.146 312 P CA 1.488 64.293 63.100 -0.492 0.000 0.808 312 P CB 0.216 31.754 31.700 -0.271 0.000 0.779 313 Q N -0.732 118.937 119.800 -0.218 0.000 2.437 313 Q HA -0.138 4.202 4.340 0.001 0.000 0.210 313 Q C 0.488 176.432 176.000 -0.094 0.000 0.972 313 Q CA 1.395 57.123 55.803 -0.126 0.000 0.903 313 Q CB -0.814 27.859 28.738 -0.108 0.000 0.967 313 Q HN 0.282 nan 8.270 nan 0.000 0.486 314 D N 0.750 121.092 120.400 -0.097 0.000 2.350 314 D HA 0.189 4.829 4.640 0.001 0.000 0.213 314 D C 0.353 176.653 176.300 -0.000 0.000 1.031 314 D CA -0.052 53.928 54.000 -0.034 0.000 0.861 314 D CB 0.396 41.192 40.800 -0.007 0.000 0.926 314 D HN 0.227 nan 8.370 nan 0.000 0.520 315 L N 1.460 122.664 121.223 -0.031 0.000 2.456 315 L HA 0.057 4.397 4.340 0.001 0.000 0.272 315 L C 0.620 177.474 176.870 -0.026 0.000 1.189 315 L CA 0.502 55.312 54.840 -0.050 0.000 0.846 315 L CB 0.529 42.448 42.059 -0.234 0.000 1.111 315 L HN -0.223 nan 8.230 nan 0.000 0.475 316 E N 5.008 125.229 120.200 0.035 0.000 2.376 316 E HA 0.342 4.692 4.350 0.001 0.000 0.236 316 E C -0.955 175.715 176.600 0.117 0.000 0.962 316 E CA -0.282 56.151 56.400 0.055 0.000 0.768 316 E CB 0.977 30.716 29.700 0.066 0.000 1.236 316 E HN 0.445 nan 8.360 nan 0.000 0.431 317 L N 1.064 122.311 121.223 0.040 0.000 2.375 317 L HA 0.284 4.624 4.340 0.001 0.000 0.271 317 L C 0.811 177.733 176.870 0.087 0.000 1.107 317 L CA -0.146 54.733 54.840 0.064 0.000 0.806 317 L CB 1.229 43.301 42.059 0.022 0.000 1.146 317 L HN 0.412 nan 8.230 nan 0.000 0.447 318 S N 0.052 115.815 115.700 0.104 0.000 2.960 318 S HA 0.076 4.546 4.470 0.001 0.000 0.256 318 S C -0.410 174.225 174.600 0.059 0.000 1.017 318 S CA -0.387 57.863 58.200 0.083 0.000 1.144 318 S CB 0.515 63.790 63.200 0.125 0.000 1.109 318 S HN 0.669 nan 8.310 nan 0.000 0.638 319 c N 3.856 122.500 118.600 0.073 0.000 2.362 319 c HA 0.531 5.102 4.570 0.001 0.000 0.309 319 c C -1.819 172.305 174.090 0.057 0.000 1.110 319 c CA -1.940 54.427 56.329 0.063 0.000 1.485 319 c CB -0.015 42.541 42.510 0.077 0.000 1.949 319 c HN 0.273 nan 8.230 nan 0.000 0.419 320 P HA -0.083 nan 4.420 nan 0.000 0.220 320 P C 1.299 178.617 177.300 0.030 0.000 1.148 320 P CA 1.322 64.442 63.100 0.032 0.000 0.803 320 P CB 0.154 31.867 31.700 0.022 0.000 0.782 321 S N -2.556 113.159 115.700 0.026 0.000 2.540 321 S HA 0.175 4.645 4.470 0.001 0.000 0.218 321 S C 0.425 175.034 174.600 0.015 0.000 0.977 321 S CA -0.292 57.918 58.200 0.016 0.000 0.918 321 S CB -0.195 63.010 63.200 0.008 0.000 0.806 321 S HN 0.111 nan 8.310 nan 0.000 0.496 322 E N 1.277 121.494 120.200 0.028 0.000 2.275 322 E HA 0.340 4.690 4.350 0.001 0.000 0.270 322 E C -1.093 175.538 176.600 0.051 0.000 0.882 322 E CA -0.696 55.717 56.400 0.022 0.000 0.758 322 E CB 2.136 31.840 29.700 0.007 0.000 1.195 322 E HN 0.188 nan 8.360 nan 0.000 0.419 323 R N 3.054 123.577 120.500 0.038 0.000 2.347 323 R HA 0.149 4.489 4.340 0.001 0.000 0.304 323 R C -0.769 175.586 176.300 0.091 0.000 1.072 323 R CA -0.307 55.838 56.100 0.074 0.000 0.980 323 R CB 0.364 30.694 30.300 0.049 0.000 0.986 323 R HN 0.462 nan 8.270 nan 0.000 0.448 324 F N 7.498 127.471 119.950 0.038 0.000 2.538 324 F HA 0.202 4.729 4.527 0.000 0.000 0.371 324 F C -1.468 174.364 175.800 0.053 0.000 1.087 324 F CA -1.455 56.576 58.000 0.052 0.000 1.250 324 F CB 0.528 39.576 39.000 0.080 0.000 1.110 324 F HN 0.537 nan 8.300 nan 0.000 0.570 325 P HA 0.045 nan 4.420 nan 0.000 0.272 325 P C -0.893 176.443 177.300 0.060 0.000 1.223 325 P CA -0.321 62.678 63.100 -0.167 0.000 0.784 325 P CB 0.497 32.022 31.700 -0.292 0.000 0.923 326 T N 2.872 117.479 114.554 0.088 0.000 2.737 326 T HA 0.379 4.729 4.350 0.001 0.000 0.296 326 T C 0.282 175.068 174.700 0.143 0.000 0.922 326 T CA -0.030 62.162 62.100 0.155 0.000 1.079 326 T CB -0.358 68.571 68.868 0.102 0.000 0.892 326 T HN 0.186 nan 8.240 nan 0.000 0.514 327 L N 2.898 124.273 121.223 0.253 0.000 2.341 327 L HA 0.594 4.934 4.340 0.001 0.000 0.267 327 L C 1.061 178.102 176.870 0.285 0.000 1.009 327 L CA -1.277 53.694 54.840 0.219 0.000 0.819 327 L CB 2.014 44.159 42.059 0.143 0.000 1.323 327 L HN 0.587 nan 8.230 nan 0.000 0.425 328 T N -2.163 112.510 114.554 0.198 0.000 2.816 328 T HA 0.417 4.767 4.350 0.001 0.000 0.282 328 T C 0.017 174.877 174.700 0.267 0.000 0.993 328 T CA -0.493 61.718 62.100 0.184 0.000 0.994 328 T CB 1.277 70.210 68.868 0.109 0.000 1.025 328 T HN 0.532 nan 8.240 nan 0.000 0.529 329 T N 2.018 116.685 114.554 0.188 0.000 2.807 329 T HA 0.330 4.680 4.350 0.001 0.000 0.279 329 T C -0.140 174.630 174.700 0.116 0.000 0.993 329 T CA -0.699 61.516 62.100 0.191 0.000 0.970 329 T CB 1.441 70.366 68.868 0.095 0.000 0.950 329 T HN 0.589 nan 8.240 nan 0.000 0.441 330 Q N 3.711 123.579 119.800 0.114 0.000 2.300 330 Q HA 0.134 4.474 4.340 0.001 0.000 0.280 330 Q C -2.022 174.012 176.000 0.057 0.000 1.033 330 Q CA -1.232 54.616 55.803 0.075 0.000 0.903 330 Q CB 0.310 29.089 28.738 0.069 0.000 1.195 330 Q HN 0.382 nan 8.270 nan 0.000 0.386 331 P HA 0.158 nan 4.420 nan 0.000 0.269 331 P C -0.123 177.194 177.300 0.028 0.000 1.215 331 P CA 0.190 63.309 63.100 0.031 0.000 0.780 331 P CB 0.725 32.441 31.700 0.026 0.000 0.898 332 G N -0.205 108.608 108.800 0.021 0.000 2.379 332 G HA2 0.246 4.207 3.960 0.001 0.000 0.609 332 G HA3 0.246 4.207 3.960 0.001 0.000 0.609 332 G C 0.281 175.190 174.900 0.014 0.000 1.484 332 G CA -0.144 44.967 45.100 0.018 0.000 0.921 332 G HN 0.462 nan 8.290 nan 0.000 0.658 333 A N 0.305 123.132 122.820 0.011 0.000 1.975 333 A HA 0.608 4.928 4.320 0.001 0.000 0.215 333 A C 1.759 179.348 177.584 0.008 0.000 1.170 333 A CA 2.234 54.275 52.037 0.006 0.000 0.656 333 A CB -0.300 18.702 19.000 0.004 0.000 0.821 333 A HN 2.390 nan 8.150 nan 0.000 0.449 334 S N -1.319 114.388 115.700 0.012 0.000 2.689 334 S HA 0.500 4.970 4.470 0.001 0.000 0.306 334 S C -0.331 174.279 174.600 0.017 0.000 1.104 334 S CA -0.674 57.533 58.200 0.012 0.000 0.973 334 S CB 0.917 64.123 63.200 0.010 0.000 1.121 334 S HN 0.418 nan 8.310 nan 0.000 0.523 335 Q N 0.841 120.651 119.800 0.017 0.000 2.361 335 Q HA 0.220 4.561 4.340 0.001 0.000 0.276 335 Q C -0.667 175.346 176.000 0.022 0.000 1.022 335 Q CA 0.098 55.914 55.803 0.021 0.000 0.898 335 Q CB 0.445 29.194 28.738 0.018 0.000 1.246 335 Q HN 0.738 nan 8.270 nan 0.000 0.410 336 S N 3.337 119.052 115.700 0.026 0.000 2.565 336 S HA 0.302 4.773 4.470 0.001 0.000 0.274 336 S C -0.003 174.612 174.600 0.026 0.000 1.309 336 S CA -0.646 57.570 58.200 0.026 0.000 1.043 336 S CB 0.544 63.762 63.200 0.030 0.000 0.939 336 S HN 0.519 nan 8.310 nan 0.000 0.504 337 L N 2.816 124.056 121.223 0.028 0.000 2.483 337 L HA 0.210 4.551 4.340 0.001 0.000 0.276 337 L C -0.084 176.807 176.870 0.035 0.000 1.213 337 L CA 0.073 54.931 54.840 0.030 0.000 0.843 337 L CB 0.029 42.109 42.059 0.035 0.000 1.107 337 L HN 0.535 nan 8.230 nan 0.000 0.487 338 I N 2.902 123.490 120.570 0.030 0.000 2.312 338 I HA 0.212 4.383 4.170 0.001 0.000 0.291 338 I C 0.712 176.868 176.117 0.066 0.000 1.031 338 I CA -0.295 61.020 61.300 0.024 0.000 1.293 338 I CB 1.168 39.158 38.000 -0.018 0.000 1.403 338 I HN 0.659 nan 8.210 nan 0.000 0.484 339 A N 4.463 127.347 122.820 0.108 0.000 2.540 339 A HA -0.076 4.245 4.320 0.001 0.000 0.239 339 A C 1.108 178.862 177.584 0.283 0.000 1.061 339 A CA 0.149 52.298 52.037 0.186 0.000 0.758 339 A CB -0.132 18.993 19.000 0.208 0.000 0.991 339 A HN 0.860 nan 8.150 nan 0.000 0.502 340 H N 0.682 119.851 119.070 0.165 0.000 2.457 340 H HA 0.015 4.571 4.556 0.000 0.000 0.294 340 H C 0.129 175.646 175.328 0.315 0.000 1.064 340 H CA 1.549 57.714 56.048 0.195 0.000 1.330 340 H CB 0.048 29.868 29.762 0.096 0.000 1.395 340 H HN 0.611 nan 8.280 nan 0.000 0.541 341 c N 0.527 119.222 118.600 0.158 0.000 2.561 341 c HA 0.249 4.819 4.570 0.001 0.000 0.319 341 c C -1.059 172.766 174.090 -0.442 0.000 1.198 341 c CA -1.296 54.923 56.329 -0.183 0.000 1.665 341 c CB 2.190 44.645 42.510 -0.092 0.000 2.258 341 c HN 0.312 nan 8.230 nan 0.000 0.493 342 P HA -0.140 nan 4.420 nan 0.000 0.216 342 P C 0.695 177.815 177.300 -0.301 0.000 1.150 342 P CA 1.579 64.128 63.100 -0.918 0.000 0.843 342 P CB -0.013 31.229 31.700 -0.764 0.000 0.787 343 D N -2.033 118.239 120.400 -0.213 0.000 2.352 343 D HA 0.129 4.769 4.640 0.001 0.000 0.236 343 D C 1.380 177.657 176.300 -0.039 0.000 1.148 343 D CA 0.279 54.221 54.000 -0.096 0.000 0.844 343 D CB -0.830 39.921 40.800 -0.082 0.000 0.933 343 D HN 0.262 nan 8.370 nan 0.000 0.507 344 G N 0.066 108.860 108.800 -0.010 0.000 2.268 344 G HA2 -0.340 3.621 3.960 0.001 0.000 0.240 344 G HA3 -0.340 3.621 3.960 0.001 0.000 0.240 344 G C 0.748 175.676 174.900 0.047 0.000 1.010 344 G CA 0.408 45.533 45.100 0.040 0.000 0.618 344 G HN 0.631 nan 8.290 nan 0.000 0.516 345 S N -0.989 114.725 115.700 0.024 0.000 2.562 345 S HA 0.621 5.092 4.470 0.001 0.000 0.256 345 S C 1.542 176.192 174.600 0.083 0.000 1.248 345 S CA 1.410 59.633 58.200 0.038 0.000 0.988 345 S CB 0.828 64.037 63.200 0.016 0.000 1.035 345 S HN 1.703 nan 8.310 nan 0.000 0.548 346 M N -1.185 118.467 119.600 0.086 0.000 2.414 346 M HA 0.687 5.168 4.480 0.001 0.000 0.393 346 M C 0.456 176.835 176.300 0.132 0.000 1.055 346 M CA 0.212 55.592 55.300 0.133 0.000 0.937 346 M CB -0.950 31.686 32.600 0.061 0.000 1.631 346 M HN 1.090 nan 8.290 nan 0.000 0.567 347 S N 0.674 116.431 115.700 0.096 0.000 2.774 347 S HA 0.632 5.103 4.470 0.001 0.000 0.297 347 S C -0.097 174.530 174.600 0.044 0.000 1.143 347 S CA -0.202 58.039 58.200 0.070 0.000 1.090 347 S CB -0.013 nan 63.200 nan 0.000 1.019 347 S HN 1.802 nan 8.310 nan 0.000 0.482 348 c N 1.613 120.244 118.600 0.052 0.000 2.890 348 c HA 0.504 5.075 4.570 0.001 0.000 0.264 348 c C -2.682 171.402 174.090 -0.009 0.000 0.934 348 c CA -1.549 54.773 56.329 -0.010 0.000 1.016 348 c CB -1.151 41.316 42.510 -0.072 0.000 1.704 348 c HN 0.614 nan 8.230 nan 0.000 0.671 349 P HA 0.412 nan 4.420 nan 0.000 0.271 349 P C 0.629 177.910 177.300 -0.031 0.000 1.226 349 P CA 1.096 64.197 63.100 0.002 0.000 0.765 349 P CB 1.030 32.729 31.700 -0.001 0.000 0.835 350 G N 2.035 110.814 108.800 -0.035 0.000 2.507 350 G HA2 0.344 4.304 3.960 0.001 0.000 0.271 350 G HA3 0.344 4.304 3.960 0.001 0.000 0.271 350 G C -0.269 174.580 174.900 -0.085 0.000 1.189 350 G CA -0.621 44.446 45.100 -0.055 0.000 0.859 350 G HN 0.411 nan 8.290 nan 0.000 0.542 351 V N 1.044 120.885 119.914 -0.122 0.000 2.585 351 V HA 0.235 4.355 4.120 0.001 0.000 0.296 351 V C 0.291 176.224 176.094 -0.268 0.000 1.035 351 V CA 0.355 62.517 62.300 -0.230 0.000 1.084 351 V CB 1.046 32.703 31.823 -0.277 0.000 0.953 351 V HN 0.802 nan 8.190 nan 0.000 0.483 352 Q N 4.286 123.895 119.800 -0.318 0.000 2.285 352 Q HA 0.520 4.861 4.340 0.001 0.000 0.269 352 Q C -1.515 174.321 176.000 -0.273 0.000 1.030 352 Q CA -0.376 55.291 55.803 -0.226 0.000 0.788 352 Q CB 1.453 30.143 28.738 -0.079 0.000 1.266 352 Q HN 0.492 nan 8.270 nan 0.000 0.438 353 F N 1.905 121.872 119.950 0.028 0.000 2.385 353 F HA 0.459 4.986 4.527 0.001 0.000 0.336 353 F C 0.719 176.528 175.800 0.015 0.000 1.100 353 F CA -0.441 57.568 58.000 0.015 0.000 1.116 353 F CB 1.151 40.161 39.000 0.015 0.000 1.166 353 F HN 0.558 nan 8.300 nan 0.000 0.511 354 N N 0.214 119.041 118.700 0.212 0.000 2.467 354 N HA 0.627 5.367 4.740 0.001 0.000 0.262 354 N C 0.041 175.614 175.510 0.105 0.000 1.234 354 N CA 0.050 53.171 53.050 0.118 0.000 0.952 354 N CB 0.900 39.435 38.487 0.080 0.000 1.158 354 N HN 0.800 nan 8.380 nan 0.000 0.463 355 G N -0.235 108.606 108.800 0.069 0.000 2.548 355 G HA2 0.243 4.203 3.960 0.001 0.000 0.301 355 G HA3 0.243 4.203 3.960 0.001 0.000 0.301 355 G C -2.292 172.626 174.900 0.031 0.000 1.349 355 G CA -0.647 44.480 45.100 0.046 0.000 0.792 355 G HN 0.355 nan 8.290 nan 0.000 0.481 356 P HA 0.191 nan 4.420 nan 0.000 0.229 356 P C 0.988 178.298 177.300 0.017 0.000 1.160 356 P CA 1.195 64.302 63.100 0.013 0.000 0.777 356 P CB 0.291 31.991 31.700 0.001 0.000 0.814 357 A N 0.000 122.834 122.820 0.024 0.000 2.254 357 A HA 0.000 4.320 4.320 0.001 0.000 0.244 357 A CA 0.000 52.049 52.037 0.021 0.000 0.836 357 A CB 0.000 19.015 19.000 0.025 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486