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 3god_1_A DATA FIRST_RESID 3 DATA SEQUENCE DISPSELKTI LHSKRANLYY LQHCRVLVNG GRVEYVTDEG RHSHYWNIPI DATA SEQUENCE ANTTSLLLGT GTSITQAAXR ELARAGVLVG FCGGGGTPLF SANEVDVEVS DATA SEQUENCE WLTPQSEYRP TEYLQRWVGF WFDEEKRLVA ARHFQRARLE RIRHSWLEDR DATA SEQUENCE VLRDAGFAVD ATALAVAVED SARALEQAPN HEHLLTEEAR LSKRLFKLAA DATA SEQUENCE QATRYGEFVR AKRGSGGDPA NRFLDHGNYL AYGLAATATW VLGIPHGLAV DATA SEQUENCE LHGKTRRGGL VFDVADLIKD SLILPQAFLS AXRGDEEQDF RQACLDNLSR DATA SEQUENCE AQALDFXIDT LKDVAQRSTV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.309 176.300 0.016 0.000 2.045 3 D CA 0.000 54.008 54.000 0.013 0.000 0.868 3 D CB 0.000 40.808 40.800 0.014 0.000 0.688 4 I N 2.445 123.026 120.570 0.018 0.000 3.252 4 I HA -0.080 4.091 4.170 0.001 0.000 0.331 4 I C 0.491 176.621 176.117 0.021 0.000 1.237 4 I CA 0.626 61.939 61.300 0.022 0.000 1.436 4 I CB 0.076 38.089 38.000 0.022 0.000 1.338 4 I HN 0.398 nan 8.210 nan 0.000 0.512 5 S N 7.619 123.333 115.700 0.023 0.000 2.576 5 S HA 0.169 4.639 4.470 0.001 0.000 0.272 5 S C -1.662 172.953 174.600 0.025 0.000 1.352 5 S CA -1.008 57.206 58.200 0.022 0.000 1.021 5 S CB 0.538 63.752 63.200 0.024 0.000 0.887 5 S HN 0.523 nan 8.310 nan 0.000 0.542 6 P HA 0.021 nan 4.420 nan 0.000 0.219 6 P C 1.325 178.643 177.300 0.030 0.000 1.150 6 P CA 0.834 63.950 63.100 0.027 0.000 0.814 6 P CB -0.035 31.680 31.700 0.025 0.000 0.787 7 S N -0.387 115.331 115.700 0.029 0.000 2.368 7 S HA -0.119 4.351 4.470 0.001 0.000 0.224 7 S C 1.731 176.349 174.600 0.029 0.000 1.029 7 S CA 1.125 59.342 58.200 0.028 0.000 0.988 7 S CB -0.695 62.520 63.200 0.025 0.000 0.838 7 S HN 0.199 nan 8.310 nan 0.000 0.462 8 E N 1.015 121.235 120.200 0.034 0.000 2.285 8 E HA 0.094 4.444 4.350 0.001 0.000 0.194 8 E C 1.972 178.591 176.600 0.032 0.000 0.997 8 E CA 0.213 56.634 56.400 0.034 0.000 0.845 8 E CB -0.255 29.473 29.700 0.046 0.000 0.782 8 E HN 0.445 nan 8.360 nan 0.000 0.491 9 L N 0.660 121.902 121.223 0.033 0.000 2.046 9 L HA -0.182 4.159 4.340 0.001 0.000 0.208 9 L C 2.377 179.273 176.870 0.043 0.000 1.077 9 L CA 1.284 56.145 54.840 0.034 0.000 0.747 9 L CB -0.218 41.860 42.059 0.031 0.000 0.896 9 L HN 0.026 nan 8.230 nan 0.000 0.432 10 K N -0.748 119.680 120.400 0.047 0.000 2.103 10 K HA -0.163 4.158 4.320 0.001 0.000 0.207 10 K C 2.020 178.673 176.600 0.088 0.000 1.048 10 K CA 1.862 58.190 56.287 0.068 0.000 0.930 10 K CB -0.296 32.244 32.500 0.066 0.000 0.716 10 K HN 0.275 nan 8.250 nan 0.000 0.444 11 T N 1.490 116.075 114.554 0.051 0.000 2.788 11 T HA -0.095 4.256 4.350 0.001 0.000 0.268 11 T C 1.813 176.549 174.700 0.059 0.000 1.044 11 T CA 1.071 63.191 62.100 0.032 0.000 1.139 11 T CB -0.133 68.719 68.868 -0.027 0.000 0.867 11 T HN 0.158 nan 8.240 nan 0.000 0.454 12 I N 0.243 120.842 120.570 0.050 0.000 2.353 12 I HA -0.086 4.085 4.170 0.001 0.000 0.248 12 I C 2.262 178.419 176.117 0.066 0.000 1.119 12 I CA 0.712 62.041 61.300 0.048 0.000 1.417 12 I CB -0.280 37.742 38.000 0.037 0.000 1.078 12 I HN 0.170 nan 8.210 nan 0.000 0.421 13 L N 0.518 121.785 121.223 0.073 0.000 2.017 13 L HA -0.262 4.079 4.340 0.001 0.000 0.208 13 L C 2.585 179.514 176.870 0.099 0.000 1.073 13 L CA 2.015 56.896 54.840 0.069 0.000 0.745 13 L CB -0.780 41.316 42.059 0.062 0.000 0.894 13 L HN 0.224 nan 8.230 nan 0.000 0.432 14 H N -1.358 117.735 119.070 0.039 0.000 2.387 14 H HA -0.140 4.416 4.556 0.001 0.000 0.299 14 H C 2.341 177.694 175.328 0.042 0.000 1.090 14 H CA 1.389 57.470 56.048 0.055 0.000 1.332 14 H CB 0.150 29.963 29.762 0.084 0.000 1.386 14 H HN 0.549 nan 8.280 nan 0.000 0.516 15 S N -0.247 115.574 115.700 0.203 0.000 2.500 15 S HA -0.099 4.372 4.470 0.001 0.000 0.239 15 S C 1.605 176.253 174.600 0.079 0.000 0.989 15 S CA 1.002 59.279 58.200 0.128 0.000 0.951 15 S CB -0.037 63.209 63.200 0.076 0.000 0.759 15 S HN 0.433 nan 8.310 nan 0.000 0.523 16 K N 0.462 120.897 120.400 0.058 0.000 2.374 16 K HA 0.222 4.543 4.320 0.001 0.000 0.196 16 K C 0.188 176.792 176.600 0.006 0.000 1.023 16 K CA -0.276 56.028 56.287 0.028 0.000 1.103 16 K CB 0.262 32.776 32.500 0.024 0.000 0.848 16 K HN 0.330 nan 8.250 nan 0.000 0.528 17 R N 0.511 121.004 120.500 -0.012 0.000 2.538 17 R HA -0.016 4.325 4.340 0.001 0.000 0.282 17 R C 0.774 177.059 176.300 -0.026 0.000 1.009 17 R CA 0.083 56.158 56.100 -0.042 0.000 1.063 17 R CB 0.487 30.717 30.300 -0.117 0.000 0.945 17 R HN 0.141 nan 8.270 nan 0.000 0.414 18 A N 3.200 126.002 122.820 -0.029 0.000 2.197 18 A HA 0.077 4.397 4.320 0.001 0.000 0.210 18 A C 0.132 177.672 177.584 -0.074 0.000 1.180 18 A CA 0.026 52.038 52.037 -0.042 0.000 0.846 18 A CB 0.215 19.193 19.000 -0.037 0.000 0.884 18 A HN 0.577 nan 8.150 nan 0.000 0.487 19 N N -0.225 118.434 118.700 -0.069 0.000 2.498 19 N HA 0.625 5.366 4.740 0.001 0.000 0.287 19 N C -1.117 174.299 175.510 -0.157 0.000 1.097 19 N CA 0.010 52.968 53.050 -0.154 0.000 0.973 19 N CB 1.708 40.159 38.487 -0.060 0.000 1.153 19 N HN 0.280 nan 8.380 nan 0.000 0.472 20 L N 2.184 123.214 121.223 -0.322 0.000 2.562 20 L HA 0.390 4.731 4.340 0.001 0.000 0.266 20 L C -1.710 174.976 176.870 -0.306 0.000 0.949 20 L CA -0.661 54.080 54.840 -0.165 0.000 0.879 20 L CB 0.925 42.930 42.059 -0.090 0.000 1.278 20 L HN 0.527 nan 8.230 nan 0.000 0.404 21 Y N 3.308 123.583 120.300 -0.041 0.000 2.361 21 Y HA 0.386 4.937 4.550 0.001 0.000 0.332 21 Y C -0.829 175.019 175.900 -0.087 0.000 1.101 21 Y CA -0.247 57.800 58.100 -0.089 0.000 1.137 21 Y CB 1.705 40.055 38.460 -0.183 0.000 1.207 21 Y HN 0.455 nan 8.280 nan 0.000 0.463 22 Y N 4.367 124.618 120.300 -0.082 0.000 2.345 22 Y HA 0.644 5.194 4.550 0.001 0.000 0.331 22 Y C -1.699 174.092 175.900 -0.182 0.000 0.959 22 Y CA -0.915 57.102 58.100 -0.139 0.000 1.204 22 Y CB 0.533 38.958 38.460 -0.058 0.000 1.135 22 Y HN 0.511 nan 8.280 nan 0.000 0.477 23 L N 6.317 127.179 121.223 -0.601 0.000 2.346 23 L HA 0.605 4.945 4.340 0.001 0.000 0.274 23 L C -0.801 175.756 176.870 -0.522 0.000 1.007 23 L CA -0.805 53.726 54.840 -0.515 0.000 0.818 23 L CB 2.230 43.957 42.059 -0.553 0.000 1.284 23 L HN 0.609 nan 8.230 nan 0.000 0.424 24 Q N 1.192 120.801 119.800 -0.320 0.000 2.421 24 Q HA 0.355 4.696 4.340 0.001 0.000 0.280 24 Q C -1.046 174.861 176.000 -0.156 0.000 1.085 24 Q CA -0.997 54.629 55.803 -0.296 0.000 0.807 24 Q CB 2.217 30.866 28.738 -0.148 0.000 1.405 24 Q HN 0.556 nan 8.270 nan 0.000 0.419 25 H N -1.219 117.812 119.070 -0.065 0.000 2.527 25 H HA -0.194 4.363 4.556 0.001 0.000 0.321 25 H C -0.451 174.870 175.328 -0.011 0.000 1.092 25 H CA 1.065 57.096 56.048 -0.028 0.000 1.118 25 H CB -1.672 28.082 29.762 -0.014 0.000 1.536 25 H HN 0.750 nan 8.280 nan 0.000 0.407 26 C N -1.456 117.865 119.300 0.035 0.000 3.318 26 C HA 0.787 5.247 4.460 0.001 0.000 0.322 26 C C -0.049 174.965 174.990 0.039 0.000 1.398 26 C CA -1.385 57.675 59.018 0.070 0.000 1.339 26 C CB 2.348 30.165 27.740 0.128 0.000 1.668 26 C HN 0.480 nan 8.230 nan 0.000 0.462 27 R N 0.889 121.426 120.500 0.062 0.000 2.393 27 R HA 0.729 5.069 4.340 0.001 0.000 0.310 27 R C -1.200 175.146 176.300 0.076 0.000 0.968 27 R CA -0.489 55.641 56.100 0.049 0.000 0.867 27 R CB 1.871 32.194 30.300 0.039 0.000 1.124 27 R HN 0.626 nan 8.270 nan 0.000 0.450 28 V N 5.399 125.343 119.914 0.050 0.000 2.394 28 V HA 0.476 4.597 4.120 0.001 0.000 0.282 28 V C -0.271 175.852 176.094 0.049 0.000 1.031 28 V CA -0.578 61.756 62.300 0.056 0.000 0.881 28 V CB 0.890 32.711 31.823 -0.004 0.000 0.982 28 V HN 0.600 nan 8.190 nan 0.000 0.451 29 L N 3.899 125.159 121.223 0.061 0.000 2.933 29 L HA 0.822 5.163 4.340 0.001 0.000 0.271 29 L C -0.913 175.990 176.870 0.054 0.000 1.071 29 L CA -0.923 53.950 54.840 0.055 0.000 0.938 29 L CB 1.588 43.687 42.059 0.066 0.000 1.534 29 L HN 0.197 nan 8.230 nan 0.000 0.396 30 V N 1.356 121.298 119.914 0.046 0.000 2.459 30 V HA 0.578 4.698 4.120 0.001 0.000 0.295 30 V C -0.660 175.459 176.094 0.040 0.000 1.029 30 V CA -0.275 62.047 62.300 0.036 0.000 0.874 30 V CB 1.323 33.159 31.823 0.022 0.000 0.985 30 V HN 0.833 nan 8.190 nan 0.000 0.438 31 N N 3.164 121.883 118.700 0.032 0.000 2.549 31 N HA 0.377 5.117 4.740 0.001 0.000 0.281 31 N C 0.547 176.048 175.510 -0.015 0.000 1.084 31 N CA 0.348 53.409 53.050 0.018 0.000 0.862 31 N CB 1.599 40.111 38.487 0.043 0.000 1.333 31 N HN 1.045 nan 8.380 nan 0.000 0.523 32 G N 2.431 111.218 108.800 -0.022 0.000 2.305 32 G HA2 -0.244 3.717 3.960 0.001 0.000 0.287 32 G HA3 -0.244 3.717 3.960 0.001 0.000 0.287 32 G C 0.972 175.861 174.900 -0.019 0.000 1.036 32 G CA 0.662 45.744 45.100 -0.029 0.000 0.887 32 G HN 1.327 nan 8.290 nan 0.000 0.505 33 G N -1.703 107.092 108.800 -0.009 0.000 2.234 33 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 33 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 33 G C 0.524 175.422 174.900 -0.003 0.000 0.987 33 G CA 1.139 46.236 45.100 -0.005 0.000 0.625 33 G HN 1.217 nan 8.290 nan 0.000 0.532 34 R N -0.189 120.308 120.500 -0.004 0.000 2.486 34 R HA 0.620 4.960 4.340 0.001 0.000 0.286 34 R C -0.017 176.289 176.300 0.010 0.000 0.999 34 R CA -0.755 55.344 56.100 -0.001 0.000 0.993 34 R CB 1.981 32.277 30.300 -0.006 0.000 1.084 34 R HN 0.070 nan 8.270 nan 0.000 0.487 35 V N 2.555 122.474 119.914 0.009 0.000 2.461 35 V HA 0.202 4.323 4.120 0.001 0.000 0.275 35 V C 0.161 176.270 176.094 0.024 0.000 1.047 35 V CA 0.001 62.310 62.300 0.015 0.000 0.955 35 V CB 0.804 32.626 31.823 -0.001 0.000 0.988 35 V HN 0.773 nan 8.190 nan 0.000 0.471 36 E N 3.159 123.392 120.200 0.055 0.000 2.429 36 E HA 0.581 4.932 4.350 0.001 0.000 0.276 36 E C -1.777 174.909 176.600 0.142 0.000 0.953 36 E CA -0.846 55.598 56.400 0.072 0.000 0.787 36 E CB 2.813 32.566 29.700 0.088 0.000 1.307 36 E HN 0.714 nan 8.360 nan 0.000 0.458 37 Y N -2.004 118.347 120.300 0.085 0.000 2.446 37 Y HA 0.759 5.309 4.550 0.001 0.000 0.345 37 Y C -1.052 174.963 175.900 0.191 0.000 0.984 37 Y CA -1.192 56.951 58.100 0.072 0.000 1.058 37 Y CB 1.153 39.596 38.460 -0.028 0.000 1.220 37 Y HN 0.149 nan 8.280 nan 0.000 0.455 38 V N 3.095 123.108 119.914 0.165 0.000 2.483 38 V HA 0.507 4.628 4.120 0.001 0.000 0.297 38 V C -0.285 175.850 176.094 0.068 0.000 1.027 38 V CA -0.522 61.747 62.300 -0.052 0.000 0.855 38 V CB 1.588 33.234 31.823 -0.295 0.000 0.995 38 V HN 1.024 nan 8.190 nan 0.000 0.424 39 T N 0.118 114.765 114.554 0.155 0.000 2.925 39 T HA 0.585 4.935 4.350 0.001 0.000 0.285 39 T C -0.779 173.936 174.700 0.024 0.000 1.021 39 T CA -0.849 61.333 62.100 0.137 0.000 1.042 39 T CB 1.904 70.918 68.868 0.243 0.000 1.037 39 T HN 0.480 nan 8.240 nan 0.000 0.481 40 D N 2.248 122.650 120.400 0.005 0.000 2.280 40 D HA 0.261 4.901 4.640 0.001 0.000 0.236 40 D C 0.013 176.283 176.300 -0.049 0.000 1.082 40 D CA -0.384 53.603 54.000 -0.020 0.000 0.834 40 D CB 1.355 42.151 40.800 -0.006 0.000 1.100 40 D HN 0.570 nan 8.370 nan 0.000 0.486 41 E N 1.652 121.810 120.200 -0.070 0.000 3.659 41 E HA 0.311 4.662 4.350 0.001 0.000 0.217 41 E C 1.215 177.779 176.600 -0.060 0.000 1.141 41 E CA -0.539 55.796 56.400 -0.109 0.000 1.340 41 E CB 0.797 30.306 29.700 -0.319 0.000 1.295 41 E HN 0.767 nan 8.360 nan 0.000 0.434 42 G N 2.778 111.549 108.800 -0.049 0.000 3.181 42 G HA2 -0.466 3.495 3.960 0.001 0.000 0.322 42 G HA3 -0.466 3.495 3.960 0.001 0.000 0.322 42 G C 1.241 176.107 174.900 -0.058 0.000 1.246 42 G CA 0.682 45.748 45.100 -0.056 0.000 0.989 42 G HN 0.438 nan 8.290 nan 0.000 0.607 43 R N 1.756 122.181 120.500 -0.125 0.000 2.062 43 R HA 0.033 4.374 4.340 0.001 0.000 0.226 43 R C 1.099 177.388 176.300 -0.019 0.000 1.125 43 R CA 1.393 57.428 56.100 -0.108 0.000 0.966 43 R CB -0.313 29.882 30.300 -0.175 0.000 0.861 43 R HN 0.846 nan 8.270 nan 0.000 0.433 44 H N -0.682 118.439 119.070 0.084 0.000 2.488 44 H HA 0.344 4.900 4.556 0.001 0.000 0.322 44 H C -0.841 174.587 175.328 0.167 0.000 1.078 44 H CA -0.850 55.282 56.048 0.140 0.000 1.260 44 H CB 1.467 31.325 29.762 0.159 0.000 1.425 44 H HN -0.095 nan 8.280 nan 0.000 0.471 45 S N 2.618 118.493 115.700 0.292 0.000 2.549 45 S HA 0.035 4.505 4.470 0.001 0.000 0.283 45 S C -0.059 174.709 174.600 0.280 0.000 1.320 45 S CA -0.349 57.944 58.200 0.155 0.000 1.058 45 S CB -0.021 63.177 63.200 -0.002 0.000 0.882 45 S HN 0.575 nan 8.310 nan 0.000 0.498 46 H N 1.508 120.507 119.070 -0.118 0.000 2.467 46 H HA 0.328 4.885 4.556 0.001 0.000 0.331 46 H C -1.186 173.833 175.328 -0.515 0.000 1.120 46 H CA -0.519 55.364 56.048 -0.275 0.000 1.270 46 H CB 0.901 30.531 29.762 -0.219 0.000 1.466 46 H HN 0.537 nan 8.280 nan 0.000 0.504 47 Y N 1.562 121.566 120.300 -0.494 0.000 2.331 47 Y HA 0.148 4.699 4.550 0.001 0.000 0.334 47 Y C -1.048 174.464 175.900 -0.647 0.000 0.960 47 Y CA -0.927 56.941 58.100 -0.387 0.000 1.130 47 Y CB 1.182 39.501 38.460 -0.236 0.000 1.164 47 Y HN 0.531 nan 8.280 nan 0.000 0.458 48 W N 2.536 123.620 121.300 -0.359 0.000 2.600 48 W HA 0.394 5.054 4.660 0.001 0.000 0.325 48 W C -0.377 175.898 176.519 -0.406 0.000 1.034 48 W CA -1.064 55.964 57.345 -0.529 0.000 1.226 48 W CB 0.866 29.633 29.460 -1.155 0.000 1.379 48 W HN 0.388 nan 8.180 nan 0.000 0.466 49 N N 2.620 121.315 118.700 -0.009 0.000 2.513 49 N HA 0.295 5.035 4.740 0.001 0.000 0.268 49 N C -0.862 174.657 175.510 0.014 0.000 1.180 49 N CA 0.075 53.129 53.050 0.006 0.000 0.948 49 N CB 0.538 39.035 38.487 0.017 0.000 1.083 49 N HN 0.433 nan 8.380 nan 0.000 0.455 50 I N 4.627 125.182 120.570 -0.026 0.000 2.330 50 I HA 0.281 4.451 4.170 0.001 0.000 0.286 50 I C -1.997 174.120 176.117 -0.001 0.000 1.025 50 I CA -2.066 59.171 61.300 -0.104 0.000 1.197 50 I CB 1.597 39.483 38.000 -0.190 0.000 1.358 50 I HN 0.421 nan 8.210 nan 0.000 0.467 51 P HA 0.095 nan 4.420 nan 0.000 0.263 51 P C 1.150 178.485 177.300 0.058 0.000 1.601 51 P CA -0.092 63.049 63.100 0.069 0.000 1.161 51 P CB -0.036 31.723 31.700 0.098 0.000 1.730 52 I N 0.441 121.025 120.570 0.025 0.000 2.454 52 I HA -0.162 4.009 4.170 0.001 0.000 0.254 52 I C 1.540 177.654 176.117 -0.005 0.000 1.156 52 I CA 1.342 62.649 61.300 0.011 0.000 1.433 52 I CB -0.645 37.352 38.000 -0.004 0.000 1.082 52 I HN 0.078 nan 8.210 nan 0.000 0.432 53 A N 1.070 123.888 122.820 -0.004 0.000 2.167 53 A HA -0.068 4.253 4.320 0.001 0.000 0.214 53 A C 1.765 179.324 177.584 -0.041 0.000 1.151 53 A CA 1.243 53.266 52.037 -0.024 0.000 0.735 53 A CB -0.672 18.324 19.000 -0.007 0.000 0.802 53 A HN 0.557 nan 8.150 nan 0.000 0.467 54 N N -0.638 118.055 118.700 -0.011 0.000 2.204 54 N HA 0.087 4.827 4.740 0.001 0.000 0.219 54 N C -0.772 174.739 175.510 0.001 0.000 1.151 54 N CA 0.260 53.305 53.050 -0.008 0.000 0.867 54 N CB 0.376 38.876 38.487 0.022 0.000 1.043 54 N HN 0.130 nan 8.380 nan 0.000 0.516 55 T N -0.846 113.709 114.554 0.000 0.000 2.823 55 T HA 0.243 4.593 4.350 0.001 0.000 0.279 55 T C 1.300 175.985 174.700 -0.025 0.000 0.998 55 T CA -0.486 61.641 62.100 0.045 0.000 0.994 55 T CB 1.798 70.751 68.868 0.141 0.000 0.960 55 T HN 0.218 nan 8.240 nan 0.000 0.448 56 T N -0.352 114.205 114.554 0.004 0.000 2.901 56 T HA 0.179 4.529 4.350 0.001 0.000 0.252 56 T C 0.918 175.646 174.700 0.046 0.000 1.035 56 T CA 0.276 62.394 62.100 0.029 0.000 1.142 56 T CB 0.015 68.914 68.868 0.051 0.000 0.869 56 T HN 0.656 nan 8.240 nan 0.000 0.442 57 S N 0.304 116.047 115.700 0.072 0.000 2.579 57 S HA 0.718 5.188 4.470 0.001 0.000 0.272 57 S C -1.715 172.959 174.600 0.123 0.000 1.141 57 S CA -1.136 57.130 58.200 0.110 0.000 0.843 57 S CB 1.613 64.936 63.200 0.205 0.000 1.122 57 S HN 0.119 nan 8.310 nan 0.000 0.468 58 L N 1.307 122.572 121.223 0.071 0.000 2.307 58 L HA 0.592 4.932 4.340 0.001 0.000 0.284 58 L C -0.702 176.095 176.870 -0.122 0.000 1.023 58 L CA -0.555 54.273 54.840 -0.020 0.000 0.810 58 L CB 1.034 43.022 42.059 -0.118 0.000 1.231 58 L HN 0.718 nan 8.230 nan 0.000 0.423 59 L N 4.715 125.820 121.223 -0.196 0.000 2.287 59 L HA 0.523 4.864 4.340 0.001 0.000 0.287 59 L C -0.691 175.842 176.870 -0.561 0.000 1.022 59 L CA -0.318 54.289 54.840 -0.388 0.000 0.814 59 L CB 1.123 42.991 42.059 -0.319 0.000 1.217 59 L HN 0.366 nan 8.230 nan 0.000 0.420 60 L N 3.429 124.267 121.223 -0.642 0.000 2.298 60 L HA 0.608 4.949 4.340 0.001 0.000 0.284 60 L C 0.631 177.214 176.870 -0.478 0.000 1.013 60 L CA -0.299 54.185 54.840 -0.594 0.000 0.824 60 L CB 1.404 43.055 42.059 -0.680 0.000 1.221 60 L HN 0.700 nan 8.230 nan 0.000 0.418 61 G N 1.678 110.171 108.800 -0.512 0.000 2.940 61 G HA2 0.298 4.259 3.960 0.001 0.000 0.164 61 G HA3 0.298 4.259 3.960 0.001 0.000 0.164 61 G C -0.303 174.440 174.900 -0.261 0.000 1.326 61 G CA -0.360 44.506 45.100 -0.390 0.000 1.020 61 G HN 0.408 nan 8.290 nan 0.000 0.586 62 T N 0.527 114.935 114.554 -0.242 0.000 2.905 62 T HA 0.353 4.704 4.350 0.001 0.000 0.299 62 T C 1.379 175.805 174.700 -0.458 0.000 1.024 62 T CA 1.597 63.538 62.100 -0.265 0.000 1.151 62 T CB 0.310 69.049 68.868 -0.216 0.000 0.987 62 T HN 1.891 nan 8.240 nan 0.000 0.535 63 G N 2.907 111.541 108.800 -0.277 0.000 2.176 63 G HA2 -0.248 3.713 3.960 0.001 0.000 0.252 63 G HA3 -0.248 3.713 3.960 0.001 0.000 0.252 63 G C 0.269 175.081 174.900 -0.146 0.000 1.024 63 G CA 0.259 45.233 45.100 -0.211 0.000 0.755 63 G HN 1.174 nan 8.290 nan 0.000 0.507 64 T N -1.984 112.496 114.554 -0.122 0.000 2.944 64 T HA 0.859 5.210 4.350 0.001 0.000 0.284 64 T C 0.196 174.905 174.700 0.014 0.000 1.010 64 T CA 0.381 62.440 62.100 -0.069 0.000 1.025 64 T CB 2.398 71.191 68.868 -0.125 0.000 1.079 64 T HN 1.660 nan 8.240 nan 0.000 0.516 65 S N 0.550 116.267 115.700 0.029 0.000 2.638 65 S HA 0.813 5.284 4.470 0.001 0.000 0.274 65 S C -1.187 173.454 174.600 0.067 0.000 1.157 65 S CA -0.963 57.279 58.200 0.070 0.000 0.826 65 S CB 1.551 64.776 63.200 0.040 0.000 1.139 65 S HN 1.133 nan 8.310 nan 0.000 0.474 66 I N 1.096 121.722 120.570 0.094 0.000 2.918 66 I HA 0.616 4.787 4.170 0.001 0.000 0.301 66 I C -0.822 175.334 176.117 0.064 0.000 1.312 66 I CA -0.377 60.964 61.300 0.069 0.000 1.007 66 I CB 2.362 40.404 38.000 0.070 0.000 1.281 66 I HN 1.099 nan 8.210 nan 0.000 0.440 67 T N 1.746 116.327 114.554 0.045 0.000 2.943 67 T HA 0.240 4.591 4.350 0.001 0.000 0.284 67 T C 0.640 175.359 174.700 0.033 0.000 1.015 67 T CA -0.418 61.703 62.100 0.037 0.000 1.042 67 T CB 1.787 70.674 68.868 0.032 0.000 1.055 67 T HN 0.742 nan 8.240 nan 0.000 0.500 68 Q N 1.057 120.873 119.800 0.027 0.000 2.112 68 Q HA -0.199 4.141 4.340 0.001 0.000 0.206 68 Q C 2.239 178.249 176.000 0.017 0.000 0.987 68 Q CA 2.232 58.048 55.803 0.022 0.000 0.858 68 Q CB -0.863 27.885 28.738 0.017 0.000 0.905 68 Q HN 0.938 nan 8.270 nan 0.000 0.420 69 A N 1.017 123.847 122.820 0.017 0.000 1.902 69 A HA 0.073 4.394 4.320 0.001 0.000 0.217 69 A C 1.492 179.083 177.584 0.012 0.000 1.181 69 A CA 1.238 53.283 52.037 0.014 0.000 0.623 69 A CB -0.897 18.112 19.000 0.016 0.000 0.818 69 A HN 0.546 nan 8.150 nan 0.000 0.443 73 E N 1.606 121.802 120.200 -0.006 0.000 2.077 73 E HA -0.118 4.233 4.350 0.001 0.000 0.193 73 E C 1.965 178.556 176.600 -0.015 0.000 0.989 73 E CA 1.370 57.766 56.400 -0.007 0.000 0.800 73 E CB -0.054 29.644 29.700 -0.003 0.000 0.746 73 E HN 0.405 nan 8.360 nan 0.000 0.452 74 L N 0.714 121.923 121.223 -0.023 0.000 1.994 74 L HA -0.189 4.152 4.340 0.001 0.000 0.208 74 L C 2.589 179.424 176.870 -0.057 0.000 1.071 74 L CA 1.473 56.290 54.840 -0.038 0.000 0.745 74 L CB -0.587 41.445 42.059 -0.044 0.000 0.892 74 L HN 0.068 nan 8.230 nan 0.000 0.431 75 A N -0.233 122.552 122.820 -0.058 0.000 1.908 75 A HA -0.193 4.127 4.320 0.001 0.000 0.218 75 A C 2.284 179.839 177.584 -0.047 0.000 1.181 75 A CA 1.428 53.417 52.037 -0.080 0.000 0.627 75 A CB -0.407 18.559 19.000 -0.056 0.000 0.818 75 A HN 0.271 nan 8.150 nan 0.000 0.445 76 R N -0.095 120.392 120.500 -0.022 0.000 2.152 76 R HA 0.018 4.359 4.340 0.001 0.000 0.232 76 R C 1.815 178.127 176.300 0.021 0.000 1.117 76 R CA 1.186 57.286 56.100 -0.001 0.000 0.981 76 R CB -1.358 28.941 30.300 -0.002 0.000 0.870 76 R HN 0.506 nan 8.270 nan 0.000 0.451 77 A N 0.019 122.844 122.820 0.008 0.000 2.307 77 A HA 0.375 4.696 4.320 0.001 0.000 0.218 77 A C 1.146 178.762 177.584 0.053 0.000 1.228 77 A CA 0.505 52.556 52.037 0.024 0.000 0.857 77 A CB -0.204 18.795 19.000 -0.002 0.000 0.897 77 A HN 0.353 nan 8.150 nan 0.000 0.495 78 G N -0.843 107.973 108.800 0.026 0.000 2.198 78 G HA2 -0.189 3.772 3.960 0.001 0.000 0.260 78 G HA3 -0.189 3.772 3.960 0.001 0.000 0.260 78 G C 0.047 174.857 174.900 -0.151 0.000 1.025 78 G CA 0.292 45.372 45.100 -0.032 0.000 0.769 78 G HN 0.811 nan 8.290 nan 0.000 0.507 79 V N 0.882 120.702 119.914 -0.156 0.000 2.407 79 V HA 0.559 4.680 4.120 0.001 0.000 0.278 79 V C 0.915 176.895 176.094 -0.189 0.000 1.037 79 V CA -0.883 61.345 62.300 -0.120 0.000 0.900 79 V CB 1.434 33.223 31.823 -0.058 0.000 0.983 79 V HN 0.293 nan 8.190 nan 0.000 0.459 80 L N 5.431 126.552 121.223 -0.170 0.000 2.436 80 L HA 0.388 4.729 4.340 0.001 0.000 0.265 80 L C -0.005 176.912 176.870 0.078 0.000 1.168 80 L CA 0.586 55.368 54.840 -0.096 0.000 0.815 80 L CB 1.289 43.273 42.059 -0.125 0.000 1.109 80 L HN 0.417 nan 8.230 nan 0.000 0.462 81 V N 1.592 121.590 119.914 0.140 0.000 2.525 81 V HA 0.720 4.841 4.120 0.001 0.000 0.299 81 V C 0.216 176.324 176.094 0.024 0.000 1.034 81 V CA -0.598 61.715 62.300 0.022 0.000 0.863 81 V CB 1.487 33.252 31.823 -0.097 0.000 0.999 81 V HN 0.823 nan 8.190 nan 0.000 0.423 82 G N 3.080 111.707 108.800 -0.287 0.000 2.452 82 G HA2 0.715 4.676 3.960 0.001 0.000 0.324 82 G HA3 0.715 4.676 3.960 0.001 0.000 0.324 82 G C -1.373 173.087 174.900 -0.732 0.000 1.214 82 G CA -0.461 44.196 45.100 -0.738 0.000 0.947 82 G HN 0.393 nan 8.290 nan 0.000 0.478 83 F N 1.350 121.066 119.950 -0.391 0.000 2.404 83 F HA 0.449 4.977 4.527 0.001 0.000 0.354 83 F C 1.167 176.796 175.800 -0.285 0.000 1.122 83 F CA -0.646 57.186 58.000 -0.279 0.000 1.080 83 F CB 1.339 40.241 39.000 -0.163 0.000 1.131 83 F HN 0.691 nan 8.300 nan 0.000 0.471 84 C N 0.945 120.143 119.300 -0.170 0.000 2.668 84 C HA 1.000 5.460 4.460 0.001 0.000 0.355 84 C C 0.645 175.616 174.990 -0.031 0.000 1.277 84 C CA -0.711 58.233 59.018 -0.123 0.000 1.787 84 C CB 0.922 28.463 27.740 -0.331 0.000 2.233 84 C HN 0.943 nan 8.230 nan 0.000 0.495 85 G N -0.264 108.581 108.800 0.074 0.000 2.532 85 G HA2 0.589 4.550 3.960 0.001 0.000 0.291 85 G HA3 0.589 4.550 3.960 0.001 0.000 0.291 85 G C 0.145 175.105 174.900 0.099 0.000 1.349 85 G CA -0.098 45.056 45.100 0.090 0.000 1.038 85 G HN 1.401 nan 8.290 nan 0.000 0.518 86 G N -2.307 106.551 108.800 0.097 0.000 2.420 86 G HA2 0.531 4.492 3.960 0.001 0.000 0.284 86 G HA3 0.531 4.492 3.960 0.001 0.000 0.284 86 G C 0.999 175.998 174.900 0.165 0.000 1.177 86 G CA 0.590 45.759 45.100 0.116 0.000 0.841 86 G HN 1.853 nan 8.290 nan 0.000 0.527 87 G N -0.460 108.458 108.800 0.196 0.000 2.305 87 G HA2 0.188 4.148 3.960 0.001 0.000 0.287 87 G HA3 0.188 4.148 3.960 0.001 0.000 0.287 87 G C 1.423 176.432 174.900 0.182 0.000 1.036 87 G CA 1.140 46.341 45.100 0.168 0.000 0.887 87 G HN 2.528 nan 8.290 nan 0.000 0.505 88 G N -2.041 106.946 108.800 0.312 0.000 2.184 88 G HA2 0.024 3.985 3.960 0.001 0.000 0.264 88 G HA3 0.024 3.985 3.960 0.001 0.000 0.264 88 G C 0.959 175.960 174.900 0.169 0.000 0.975 88 G CA 1.683 46.945 45.100 0.271 0.000 0.642 88 G HN 2.550 nan 8.290 nan 0.000 0.536 89 T N -1.426 113.231 114.554 0.172 0.000 2.881 89 T HA 0.675 5.026 4.350 0.001 0.000 0.278 89 T C -2.331 172.447 174.700 0.130 0.000 0.982 89 T CA -1.581 60.585 62.100 0.110 0.000 0.989 89 T CB 2.354 71.271 68.868 0.082 0.000 1.058 89 T HN 0.019 nan 8.240 nan 0.000 0.529 90 P HA 0.133 nan 4.420 nan 0.000 0.269 90 P C 0.869 178.202 177.300 0.055 0.000 1.209 90 P CA -0.561 62.563 63.100 0.040 0.000 0.776 90 P CB 0.376 32.060 31.700 -0.027 0.000 0.876 91 L N 3.720 124.960 121.223 0.029 0.000 2.012 91 L HA 0.003 4.344 4.340 0.001 0.000 0.210 91 L C 0.574 177.567 176.870 0.205 0.000 1.073 91 L CA 2.150 57.051 54.840 0.101 0.000 0.748 91 L CB -0.595 41.533 42.059 0.115 0.000 0.891 91 L HN 0.524 nan 8.230 nan 0.000 0.431 92 F N -4.646 115.323 119.950 0.032 0.000 2.817 92 F HA 0.658 5.185 4.527 0.001 0.000 0.317 92 F C -0.786 175.028 175.800 0.023 0.000 1.168 92 F CA -1.180 56.833 58.000 0.021 0.000 0.911 92 F CB 0.555 39.560 39.000 0.009 0.000 1.337 92 F HN -0.394 nan 8.300 nan 0.000 0.464 93 S N 0.753 116.611 115.700 0.263 0.000 2.614 93 S HA 0.828 5.298 4.470 0.001 0.000 0.288 93 S C -1.175 173.582 174.600 0.263 0.000 1.137 93 S CA -0.380 57.897 58.200 0.128 0.000 0.992 93 S CB 1.494 64.732 63.200 0.063 0.000 1.026 93 S HN 1.068 nan 8.310 nan 0.000 0.486 94 A N 4.031 126.998 122.820 0.244 0.000 2.323 94 A HA 0.703 5.024 4.320 0.001 0.000 0.305 94 A C 0.545 178.194 177.584 0.108 0.000 1.275 94 A CA -0.557 51.599 52.037 0.198 0.000 0.804 94 A CB -0.221 18.935 19.000 0.261 0.000 1.152 94 A HN 1.193 nan 8.150 nan 0.000 0.487 95 N N 2.307 121.052 118.700 0.074 0.000 1.241 95 N HA -0.383 4.358 4.740 0.001 0.000 0.135 95 N C 0.283 175.814 175.510 0.034 0.000 0.723 95 N CA 2.158 55.236 53.050 0.047 0.000 0.950 95 N CB -0.949 37.562 38.487 0.040 0.000 1.215 95 N HN 0.583 nan 8.380 nan 0.000 0.520 96 E N -0.498 119.716 120.200 0.023 0.000 2.489 96 E HA 0.333 4.684 4.350 0.001 0.000 0.193 96 E C -0.501 176.094 176.600 -0.008 0.000 1.057 96 E CA 0.344 56.749 56.400 0.008 0.000 0.866 96 E CB 0.356 30.061 29.700 0.007 0.000 0.916 96 E HN 0.347 nan 8.360 nan 0.000 0.500 97 V N 2.382 122.294 119.914 -0.003 0.000 2.370 97 V HA 0.151 4.271 4.120 0.001 0.000 0.283 97 V C -0.373 175.674 176.094 -0.078 0.000 1.023 97 V CA -0.941 61.336 62.300 -0.038 0.000 0.857 97 V CB 1.426 33.236 31.823 -0.022 0.000 0.985 97 V HN 0.051 nan 8.190 nan 0.000 0.443 98 D N 3.486 123.810 120.400 -0.126 0.000 2.225 98 D HA 0.416 5.057 4.640 0.001 0.000 0.248 98 D C -0.421 175.726 176.300 -0.254 0.000 1.096 98 D CA -0.106 53.788 54.000 -0.175 0.000 0.863 98 D CB 2.349 43.081 40.800 -0.114 0.000 1.156 98 D HN 0.256 nan 8.370 nan 0.000 0.450 99 V N 3.727 123.373 119.914 -0.445 0.000 2.334 99 V HA 0.064 4.185 4.120 0.001 0.000 0.281 99 V C 1.133 177.075 176.094 -0.253 0.000 1.016 99 V CA -0.535 61.507 62.300 -0.431 0.000 0.832 99 V CB 1.597 32.875 31.823 -0.908 0.000 0.999 99 V HN 0.399 nan 8.190 nan 0.000 0.439 100 E N 3.307 123.479 120.200 -0.047 0.000 2.076 100 E HA 0.043 4.394 4.350 0.001 0.000 0.190 100 E C 0.226 176.856 176.600 0.049 0.000 0.979 100 E CA 0.931 57.371 56.400 0.068 0.000 0.807 100 E CB 0.451 30.242 29.700 0.152 0.000 0.761 100 E HN 0.472 nan 8.360 nan 0.000 0.454 101 V N 0.860 120.720 119.914 -0.090 0.000 2.612 101 V HA 0.179 4.299 4.120 0.001 0.000 0.301 101 V C -0.492 175.393 176.094 -0.348 0.000 1.059 101 V CA -0.810 61.299 62.300 -0.318 0.000 0.886 101 V CB 2.032 33.445 31.823 -0.683 0.000 1.007 101 V HN -0.054 nan 8.190 nan 0.000 0.426 102 S N 4.645 120.221 115.700 -0.207 0.000 2.416 102 S HA 0.443 4.913 4.470 0.001 0.000 0.287 102 S C -0.837 173.708 174.600 -0.091 0.000 1.139 102 S CA -0.370 57.808 58.200 -0.038 0.000 1.058 102 S CB 0.044 63.318 63.200 0.123 0.000 0.967 102 S HN 0.533 nan 8.310 nan 0.000 0.495 103 W N 5.335 126.721 121.300 0.145 0.000 2.390 103 W HA 0.510 5.171 4.660 0.001 0.000 0.312 103 W C -0.550 176.022 176.519 0.088 0.000 1.123 103 W CA -0.944 56.470 57.345 0.115 0.000 1.202 103 W CB 0.800 30.358 29.460 0.162 0.000 1.251 103 W HN 0.395 nan 8.180 nan 0.000 0.511 104 L N 4.063 125.485 121.223 0.332 0.000 2.272 104 L HA 0.488 4.828 4.340 0.001 0.000 0.289 104 L C 0.559 177.481 176.870 0.087 0.000 1.032 104 L CA -0.556 54.393 54.840 0.182 0.000 0.810 104 L CB 0.893 43.044 42.059 0.153 0.000 1.205 104 L HN 0.379 nan 8.230 nan 0.000 0.422 105 T N 0.697 115.244 114.554 -0.011 0.000 2.855 105 T HA 0.599 4.950 4.350 0.001 0.000 0.281 105 T C -2.599 171.988 174.700 -0.188 0.000 1.007 105 T CA -2.401 59.573 62.100 -0.210 0.000 1.009 105 T CB 1.553 70.305 68.868 -0.194 0.000 0.983 105 T HN 0.150 nan 8.240 nan 0.000 0.455 106 P HA 0.158 nan 4.420 nan 0.000 0.265 106 P C 0.393 177.759 177.300 0.109 0.000 1.193 106 P CA -0.125 62.890 63.100 -0.141 0.000 0.765 106 P CB 0.442 31.991 31.700 -0.251 0.000 0.823 107 Q N 0.519 120.363 119.800 0.074 0.000 2.246 107 Q HA 0.137 4.478 4.340 0.001 0.000 0.222 107 Q C 0.554 176.582 176.000 0.047 0.000 0.851 107 Q CA 0.472 56.338 55.803 0.104 0.000 0.945 107 Q CB 0.433 29.217 28.738 0.077 0.000 1.122 107 Q HN 0.356 nan 8.270 nan 0.000 0.508 108 S N 0.829 116.495 115.700 -0.056 0.000 2.578 108 S HA 0.115 4.586 4.470 0.001 0.000 0.231 108 S C 0.110 174.417 174.600 -0.488 0.000 0.994 108 S CA -0.100 57.925 58.200 -0.291 0.000 0.956 108 S CB 0.530 63.632 63.200 -0.163 0.000 0.870 108 S HN 0.123 nan 8.310 nan 0.000 0.494 109 E N 2.190 122.270 120.200 -0.200 0.000 2.136 109 E HA 0.204 4.555 4.350 0.001 0.000 0.246 109 E C -1.130 175.420 176.600 -0.084 0.000 1.017 109 E CA -0.528 55.808 56.400 -0.106 0.000 0.883 109 E CB -0.009 29.796 29.700 0.176 0.000 1.199 109 E HN 0.357 nan 8.360 nan 0.000 0.447 110 Y N 1.478 121.809 120.300 0.051 0.000 2.805 110 Y HA -0.070 4.480 4.550 0.001 0.000 0.331 110 Y C 1.390 177.248 175.900 -0.070 0.000 1.241 110 Y CA 0.306 58.405 58.100 -0.002 0.000 1.546 110 Y CB 0.234 38.693 38.460 -0.003 0.000 1.248 110 Y HN -0.011 nan 8.280 nan 0.000 0.559 111 R N 4.027 124.550 120.500 0.039 0.000 2.560 111 R HA 0.332 4.672 4.340 0.001 0.000 0.270 111 R C -2.113 174.157 176.300 -0.051 0.000 1.074 111 R CA -1.956 54.065 56.100 -0.132 0.000 1.140 111 R CB -0.348 29.790 30.300 -0.270 0.000 1.073 111 R HN 0.447 nan 8.270 nan 0.000 0.527 112 P HA 0.008 nan 4.420 nan 0.000 0.269 112 P C 0.618 177.898 177.300 -0.034 0.000 1.217 112 P CA 0.130 63.219 63.100 -0.019 0.000 0.783 112 P CB 0.372 32.106 31.700 0.056 0.000 0.898 113 T N -3.421 111.094 114.554 -0.065 0.000 2.990 113 T HA 0.001 4.351 4.350 0.001 0.000 0.250 113 T C 1.314 175.948 174.700 -0.110 0.000 1.041 113 T CA 0.217 62.277 62.100 -0.067 0.000 1.010 113 T CB -0.416 68.415 68.868 -0.062 0.000 1.003 113 T HN 0.542 nan 8.240 nan 0.000 0.499 114 E N 0.754 120.809 120.200 -0.242 0.000 2.077 114 E HA -0.208 4.142 4.350 0.001 0.000 0.193 114 E C 1.649 178.049 176.600 -0.332 0.000 0.989 114 E CA 1.111 57.300 56.400 -0.352 0.000 0.800 114 E CB -0.866 28.519 29.700 -0.525 0.000 0.746 114 E HN 0.658 nan 8.360 nan 0.000 0.452 115 Y N 0.862 121.183 120.300 0.034 0.000 2.163 115 Y HA -0.135 4.416 4.550 0.001 0.000 0.288 115 Y C 2.532 178.514 175.900 0.137 0.000 1.136 115 Y CA 0.884 59.037 58.100 0.089 0.000 1.147 115 Y CB -0.448 38.023 38.460 0.019 0.000 0.987 115 Y HN 0.105 nan 8.280 nan 0.000 0.509 116 L N 0.624 121.944 121.223 0.161 0.000 2.013 116 L HA -0.294 4.046 4.340 0.001 0.000 0.212 116 L C 2.122 179.076 176.870 0.139 0.000 1.073 116 L CA 1.893 56.799 54.840 0.110 0.000 0.753 116 L CB -0.800 41.272 42.059 0.022 0.000 0.890 116 L HN 0.237 nan 8.230 nan 0.000 0.432 117 Q N -0.701 119.146 119.800 0.080 0.000 2.050 117 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 117 Q C 2.359 178.433 176.000 0.122 0.000 0.980 117 Q CA 2.085 57.932 55.803 0.074 0.000 0.840 117 Q CB -0.213 28.537 28.738 0.019 0.000 0.898 117 Q HN 0.522 nan 8.270 nan 0.000 0.424 118 R N -0.264 120.328 120.500 0.153 0.000 2.096 118 R HA -0.188 4.152 4.340 0.001 0.000 0.240 118 R C 2.077 178.543 176.300 0.277 0.000 1.139 118 R CA 1.532 57.767 56.100 0.225 0.000 0.952 118 R CB -0.431 30.027 30.300 0.263 0.000 0.854 118 R HN 0.462 nan 8.270 nan 0.000 0.436 119 W N 1.261 122.612 121.300 0.085 0.000 2.332 119 W HA -0.232 4.428 4.660 0.001 0.000 0.321 119 W C 2.079 178.399 176.519 -0.332 0.000 1.219 119 W CA 2.304 59.556 57.345 -0.155 0.000 1.277 119 W CB -0.414 28.980 29.460 -0.111 0.000 1.161 119 W HN 0.039 nan 8.180 nan 0.000 0.476 120 V N -0.412 119.571 119.914 0.115 0.000 2.594 120 V HA -0.095 4.026 4.120 0.001 0.000 0.253 120 V C 2.194 178.400 176.094 0.186 0.000 1.069 120 V CA 2.186 64.589 62.300 0.172 0.000 1.082 120 V CB -1.834 30.127 31.823 0.231 0.000 0.680 120 V HN 0.166 nan 8.190 nan 0.000 0.469 121 G N 0.733 109.605 108.800 0.120 0.000 2.450 121 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 121 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 121 G C 1.351 176.357 174.900 0.176 0.000 1.130 121 G CA 1.430 46.616 45.100 0.144 0.000 0.760 121 G HN 0.843 nan 8.290 nan 0.000 0.557 122 F N -2.811 117.181 119.950 0.071 0.000 2.694 122 F HA 0.414 4.942 4.527 0.001 0.000 0.292 122 F C 1.927 177.729 175.800 0.004 0.000 1.121 122 F CA -0.883 57.116 58.000 -0.003 0.000 1.352 122 F CB -0.412 38.517 39.000 -0.118 0.000 1.107 122 F HN 0.068 nan 8.300 nan 0.000 0.597 123 W N 1.245 122.089 121.300 -0.760 0.000 2.350 123 W HA -0.143 4.518 4.660 0.001 0.000 0.289 123 W C 1.095 177.370 176.519 -0.407 0.000 1.215 123 W CA 2.090 58.984 57.345 -0.753 0.000 1.236 123 W CB -0.497 28.450 29.460 -0.856 0.000 1.130 123 W HN 0.070 nan 8.180 nan 0.000 0.541 124 F N -0.357 119.545 119.950 -0.080 0.000 2.780 124 F HA 0.013 4.541 4.527 0.001 0.000 0.299 124 F C 1.052 176.751 175.800 -0.168 0.000 1.146 124 F CA 0.757 58.658 58.000 -0.165 0.000 1.428 124 F CB -0.482 38.532 39.000 0.023 0.000 1.115 124 F HN -0.327 nan 8.300 nan 0.000 0.583 125 D N 1.078 121.488 120.400 0.015 0.000 2.380 125 D HA -0.013 4.628 4.640 0.001 0.000 0.230 125 D C 1.245 177.520 176.300 -0.040 0.000 1.154 125 D CA 0.093 54.101 54.000 0.013 0.000 0.859 125 D CB 0.872 41.713 40.800 0.068 0.000 1.045 125 D HN 0.369 nan 8.370 nan 0.000 0.495 126 E N 3.073 123.238 120.200 -0.058 0.000 2.130 126 E HA -0.241 4.110 4.350 0.001 0.000 0.196 126 E C 0.844 177.480 176.600 0.060 0.000 0.998 126 E CA 1.255 57.640 56.400 -0.024 0.000 0.806 126 E CB 0.344 30.039 29.700 -0.008 0.000 0.738 126 E HN 0.429 nan 8.360 nan 0.000 0.459 127 E N 0.438 120.651 120.200 0.021 0.000 2.152 127 E HA -0.113 4.238 4.350 0.001 0.000 0.192 127 E C 1.911 178.502 176.600 -0.016 0.000 0.983 127 E CA 0.777 57.175 56.400 -0.003 0.000 0.818 127 E CB 0.002 29.690 29.700 -0.019 0.000 0.758 127 E HN 0.344 nan 8.360 nan 0.000 0.467 128 K N 0.402 120.805 120.400 0.006 0.000 2.155 128 K HA 0.007 4.327 4.320 0.001 0.000 0.203 128 K C 2.194 178.779 176.600 -0.025 0.000 1.052 128 K CA 0.493 56.763 56.287 -0.028 0.000 0.948 128 K CB 0.003 32.535 32.500 0.053 0.000 0.728 128 K HN -0.020 nan 8.250 nan 0.000 0.448 129 R N 0.636 121.202 120.500 0.110 0.000 2.115 129 R HA -0.099 4.242 4.340 0.001 0.000 0.230 129 R C 2.267 178.714 176.300 0.245 0.000 1.111 129 R CA 0.759 56.982 56.100 0.206 0.000 0.976 129 R CB -0.284 30.060 30.300 0.073 0.000 0.870 129 R HN 0.095 nan 8.270 nan 0.000 0.445 130 L N 0.556 121.851 121.223 0.119 0.000 2.027 130 L HA -0.114 4.227 4.340 0.001 0.000 0.206 130 L C 2.062 178.875 176.870 -0.095 0.000 1.074 130 L CA 1.511 56.252 54.840 -0.166 0.000 0.745 130 L CB -0.347 41.511 42.059 -0.336 0.000 0.898 130 L HN -0.127 nan 8.230 nan 0.000 0.433 131 V N 0.050 119.907 119.914 -0.095 0.000 2.407 131 V HA -0.290 3.831 4.120 0.001 0.000 0.248 131 V C 2.764 178.801 176.094 -0.095 0.000 1.055 131 V CA 1.575 63.810 62.300 -0.108 0.000 1.049 131 V CB -1.195 30.539 31.823 -0.148 0.000 0.662 131 V HN 0.607 nan 8.190 nan 0.000 0.455 132 A N -0.174 122.559 122.820 -0.145 0.000 1.898 132 A HA -0.070 4.251 4.320 0.001 0.000 0.216 132 A C 2.424 180.115 177.584 0.179 0.000 1.181 132 A CA 1.916 53.880 52.037 -0.121 0.000 0.620 132 A CB -0.701 18.166 19.000 -0.221 0.000 0.819 132 A HN 0.555 nan 8.150 nan 0.000 0.442 133 A N -0.249 122.717 122.820 0.244 0.000 1.902 133 A HA -0.155 4.166 4.320 0.001 0.000 0.217 133 A C 2.252 179.976 177.584 0.233 0.000 1.181 133 A CA 1.517 53.742 52.037 0.314 0.000 0.623 133 A CB -0.480 18.676 19.000 0.259 0.000 0.818 133 A HN 0.527 nan 8.150 nan 0.000 0.443 134 R N -1.653 118.911 120.500 0.108 0.000 2.083 134 R HA -0.188 4.153 4.340 0.001 0.000 0.237 134 R C 2.245 178.618 176.300 0.122 0.000 1.137 134 R CA 1.796 57.939 56.100 0.072 0.000 0.951 134 R CB -0.611 29.688 30.300 -0.001 0.000 0.851 134 R HN 0.869 nan 8.270 nan 0.000 0.434 135 H N -0.577 118.477 119.070 -0.025 0.000 2.319 135 H HA -0.178 4.379 4.556 0.001 0.000 0.299 135 H C 1.805 177.112 175.328 -0.034 0.000 1.092 135 H CA 1.891 57.886 56.048 -0.088 0.000 1.302 135 H CB -0.005 29.629 29.762 -0.214 0.000 1.373 135 H HN 0.100 nan 8.280 nan 0.000 0.497 136 F N 0.875 120.959 119.950 0.224 0.000 2.126 136 F HA -0.241 4.287 4.527 0.001 0.000 0.299 136 F C 2.726 178.629 175.800 0.172 0.000 1.096 136 F CA 1.201 59.309 58.000 0.179 0.000 1.255 136 F CB -0.359 38.736 39.000 0.158 0.000 0.997 136 F HN 0.281 nan 8.300 nan 0.000 0.479 137 Q N 0.129 120.118 119.800 0.316 0.000 2.124 137 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 137 Q C 2.365 178.457 176.000 0.154 0.000 0.977 137 Q CA 1.327 57.251 55.803 0.202 0.000 0.850 137 Q CB -0.473 28.345 28.738 0.134 0.000 0.901 137 Q HN 0.447 nan 8.270 nan 0.000 0.429 138 R N 0.132 120.710 120.500 0.129 0.000 2.092 138 R HA -0.031 4.310 4.340 0.001 0.000 0.231 138 R C 2.259 178.640 176.300 0.136 0.000 1.119 138 R CA 1.073 57.223 56.100 0.083 0.000 0.970 138 R CB -0.347 29.957 30.300 0.007 0.000 0.864 138 R HN 0.196 nan 8.270 nan 0.000 0.440 139 A N 1.429 124.379 122.820 0.217 0.000 1.933 139 A HA -0.204 4.117 4.320 0.001 0.000 0.218 139 A C 2.144 179.941 177.584 0.354 0.000 1.175 139 A CA 1.372 53.609 52.037 0.334 0.000 0.628 139 A CB -0.499 18.706 19.000 0.341 0.000 0.814 139 A HN 0.253 nan 8.150 nan 0.000 0.444 140 R N -0.080 120.593 120.500 0.289 0.000 2.070 140 R HA -0.103 4.237 4.340 0.001 0.000 0.233 140 R C 2.001 178.369 176.300 0.113 0.000 1.137 140 R CA 1.750 57.982 56.100 0.219 0.000 0.945 140 R CB -0.522 29.898 30.300 0.199 0.000 0.845 140 R HN 0.505 nan 8.270 nan 0.000 0.430 141 L N 0.866 122.135 121.223 0.077 0.000 2.043 141 L HA -0.211 4.130 4.340 0.001 0.000 0.212 141 L C 2.576 179.458 176.870 0.021 0.000 1.075 141 L CA 1.344 56.193 54.840 0.015 0.000 0.752 141 L CB -0.593 41.471 42.059 0.009 0.000 0.891 141 L HN 0.274 nan 8.230 nan 0.000 0.432 142 E N -0.061 120.177 120.200 0.063 0.000 2.110 142 E HA -0.149 4.202 4.350 0.001 0.000 0.193 142 E C 2.343 178.963 176.600 0.033 0.000 0.988 142 E CA 0.831 57.264 56.400 0.056 0.000 0.804 142 E CB -0.177 29.569 29.700 0.077 0.000 0.745 142 E HN 0.331 nan 8.360 nan 0.000 0.458 143 R N 0.379 120.884 120.500 0.008 0.000 2.075 143 R HA -0.015 4.326 4.340 0.001 0.000 0.232 143 R C 2.562 178.898 176.300 0.060 0.000 1.126 143 R CA 0.619 56.698 56.100 -0.035 0.000 0.963 143 R CB -0.878 29.374 30.300 -0.080 0.000 0.858 143 R HN 0.282 nan 8.270 nan 0.000 0.435 144 I N 0.656 121.239 120.570 0.021 0.000 2.127 144 I HA -0.311 3.860 4.170 0.001 0.000 0.241 144 I C 2.665 178.776 176.117 -0.011 0.000 1.075 144 I CA 1.489 62.748 61.300 -0.069 0.000 1.334 144 I CB -0.311 37.522 38.000 -0.278 0.000 1.040 144 I HN 0.118 nan 8.210 nan 0.000 0.405 145 R N -0.379 120.120 120.500 -0.001 0.000 2.080 145 R HA -0.254 4.086 4.340 0.001 0.000 0.236 145 R C 2.449 178.813 176.300 0.106 0.000 1.137 145 R CA 2.144 58.271 56.100 0.045 0.000 0.943 145 R CB -0.816 29.507 30.300 0.038 0.000 0.846 145 R HN 0.436 nan 8.270 nan 0.000 0.431 146 H N 0.312 119.402 119.070 0.034 0.000 2.319 146 H HA -0.085 4.471 4.556 0.001 0.000 0.299 146 H C 2.237 177.606 175.328 0.069 0.000 1.092 146 H CA 2.141 58.206 56.048 0.028 0.000 1.302 146 H CB -0.196 29.550 29.762 -0.027 0.000 1.373 146 H HN 0.079 nan 8.280 nan 0.000 0.497 147 S N -1.157 114.537 115.700 -0.011 0.000 2.357 147 S HA -0.117 4.354 4.470 0.001 0.000 0.221 147 S C 1.668 176.333 174.600 0.108 0.000 1.031 147 S CA 1.188 59.387 58.200 -0.001 0.000 0.982 147 S CB -0.396 62.899 63.200 0.160 0.000 0.853 147 S HN 0.607 nan 8.310 nan 0.000 0.458 148 W N 1.150 122.430 121.300 -0.033 0.000 2.658 148 W HA 0.389 5.050 4.660 0.001 0.000 0.263 148 W C 1.790 178.332 176.519 0.039 0.000 1.274 148 W CA -0.018 57.372 57.345 0.076 0.000 1.343 148 W CB -0.314 29.219 29.460 0.121 0.000 1.106 148 W HN 0.301 nan 8.180 nan 0.000 0.615 149 L N -1.145 120.190 121.223 0.185 0.000 2.609 149 L HA 0.167 4.507 4.340 0.001 0.000 0.230 149 L C 1.375 178.253 176.870 0.013 0.000 1.064 149 L CA 0.791 55.687 54.840 0.094 0.000 0.873 149 L CB -0.057 42.050 42.059 0.080 0.000 1.139 149 L HN -0.128 nan 8.230 nan 0.000 0.490 150 E N -1.101 119.053 120.200 -0.077 0.000 2.572 150 E HA 0.021 4.372 4.350 0.001 0.000 0.220 150 E C -0.300 176.163 176.600 -0.229 0.000 0.945 150 E CA -0.135 56.183 56.400 -0.137 0.000 1.070 150 E CB 0.724 30.355 29.700 -0.116 0.000 1.090 150 E HN 0.073 nan 8.360 nan 0.000 0.506 151 D N 1.952 122.195 120.400 -0.261 0.000 2.374 151 D HA 0.015 4.655 4.640 0.001 0.000 0.240 151 D C 1.145 177.392 176.300 -0.089 0.000 1.229 151 D CA -0.094 53.785 54.000 -0.202 0.000 0.895 151 D CB 0.616 41.298 40.800 -0.198 0.000 1.046 151 D HN 0.024 nan 8.370 nan 0.000 0.498 152 R N 2.894 123.359 120.500 -0.058 0.000 2.127 152 R HA -0.122 4.219 4.340 0.001 0.000 0.238 152 R C 1.121 177.405 176.300 -0.026 0.000 1.134 152 R CA 1.274 57.357 56.100 -0.028 0.000 0.975 152 R CB -0.191 30.100 30.300 -0.015 0.000 0.865 152 R HN 0.337 nan 8.270 nan 0.000 0.447 153 V N 1.018 120.910 119.914 -0.037 0.000 2.407 153 V HA -0.207 3.913 4.120 0.001 0.000 0.248 153 V C 2.243 178.310 176.094 -0.045 0.000 1.055 153 V CA 1.394 63.672 62.300 -0.037 0.000 1.049 153 V CB -0.522 31.276 31.823 -0.042 0.000 0.662 153 V HN 0.323 nan 8.190 nan 0.000 0.455 154 L N 0.284 121.468 121.223 -0.065 0.000 2.072 154 L HA -0.078 4.262 4.340 0.001 0.000 0.205 154 L C 2.547 179.425 176.870 0.013 0.000 1.079 154 L CA 1.958 56.750 54.840 -0.081 0.000 0.752 154 L CB -1.077 40.885 42.059 -0.162 0.000 0.906 154 L HN 0.298 nan 8.230 nan 0.000 0.436 155 R N -0.442 120.072 120.500 0.022 0.000 2.080 155 R HA -0.182 4.159 4.340 0.001 0.000 0.236 155 R C 1.669 177.982 176.300 0.022 0.000 1.137 155 R CA 2.025 58.147 56.100 0.036 0.000 0.943 155 R CB -0.279 30.029 30.300 0.014 0.000 0.846 155 R HN 0.316 nan 8.270 nan 0.000 0.431 156 D N 0.142 120.545 120.400 0.006 0.000 2.310 156 D HA -0.069 4.571 4.640 0.001 0.000 0.212 156 D C 1.319 177.624 176.300 0.008 0.000 0.965 156 D CA 1.192 55.194 54.000 0.004 0.000 0.879 156 D CB 0.032 40.830 40.800 -0.003 0.000 0.921 156 D HN 0.443 nan 8.370 nan 0.000 0.510 157 A N -0.331 122.495 122.820 0.010 0.000 2.238 157 A HA 0.419 4.740 4.320 0.001 0.000 0.208 157 A C 1.680 179.289 177.584 0.041 0.000 1.177 157 A CA 0.970 53.014 52.037 0.013 0.000 0.804 157 A CB -0.010 18.984 19.000 -0.009 0.000 0.823 157 A HN 0.236 nan 8.150 nan 0.000 0.482 158 G N -2.157 106.676 108.800 0.055 0.000 2.143 158 G HA2 -0.196 3.765 3.960 0.001 0.000 0.175 158 G HA3 -0.196 3.765 3.960 0.001 0.000 0.175 158 G C -0.053 174.903 174.900 0.093 0.000 1.004 158 G CA -0.048 45.087 45.100 0.057 0.000 0.671 158 G HN 0.533 nan 8.290 nan 0.000 0.512 159 F N 2.541 122.442 119.950 -0.081 0.000 2.652 159 F HA 0.600 5.128 4.527 0.001 0.000 0.352 159 F C 1.144 176.876 175.800 -0.114 0.000 1.259 159 F CA -0.742 57.179 58.000 -0.131 0.000 1.249 159 F CB 0.038 38.909 39.000 -0.214 0.000 1.628 159 F HN 0.345 nan 8.300 nan 0.000 0.654 160 A N 5.184 127.858 122.820 -0.243 0.000 3.077 160 A HA 0.351 4.672 4.320 0.001 0.000 0.255 160 A C 0.159 177.551 177.584 -0.321 0.000 1.728 160 A CA -0.135 51.777 52.037 -0.208 0.000 1.383 160 A CB -0.929 18.002 19.000 -0.116 0.000 1.097 160 A HN 0.426 nan 8.150 nan 0.000 0.634 161 V N 0.880 120.523 119.914 -0.452 0.000 2.881 161 V HA 0.138 4.258 4.120 0.001 0.000 0.303 161 V C 0.161 176.161 176.094 -0.156 0.000 1.070 161 V CA -0.534 61.513 62.300 -0.422 0.000 1.074 161 V CB 1.323 32.859 31.823 -0.478 0.000 1.012 161 V HN 0.671 nan 8.190 nan 0.000 0.482 162 D N 4.441 124.785 120.400 -0.094 0.000 2.359 162 D HA 0.287 4.928 4.640 0.001 0.000 0.250 162 D C 0.802 177.106 176.300 0.007 0.000 1.264 162 D CA 0.573 54.551 54.000 -0.037 0.000 0.911 162 D CB 1.333 42.116 40.800 -0.028 0.000 1.056 162 D HN 0.684 nan 8.370 nan 0.000 0.499 163 A N 3.395 126.222 122.820 0.010 0.000 1.902 163 A HA -0.154 4.167 4.320 0.001 0.000 0.217 163 A C 2.124 179.725 177.584 0.029 0.000 1.181 163 A CA 1.545 53.605 52.037 0.038 0.000 0.623 163 A CB -0.377 18.640 19.000 0.028 0.000 0.818 163 A HN 0.587 nan 8.150 nan 0.000 0.443 164 T N 0.022 114.583 114.554 0.012 0.000 2.737 164 T HA 0.054 4.404 4.350 0.001 0.000 0.265 164 T C 2.271 176.971 174.700 0.000 0.000 1.038 164 T CA 1.431 63.534 62.100 0.005 0.000 1.144 164 T CB -0.454 68.414 68.868 0.000 0.000 0.866 164 T HN 0.590 nan 8.240 nan 0.000 0.434 165 A N 2.124 124.944 122.820 -0.000 0.000 1.892 165 A HA -0.082 4.239 4.320 0.001 0.000 0.218 165 A C 2.275 179.851 177.584 -0.014 0.000 1.188 165 A CA 1.296 53.329 52.037 -0.006 0.000 0.631 165 A CB -0.908 18.090 19.000 -0.003 0.000 0.822 165 A HN 0.423 nan 8.150 nan 0.000 0.447 166 L N -0.365 120.862 121.223 0.007 0.000 1.994 166 L HA -0.148 4.193 4.340 0.001 0.000 0.208 166 L C 2.732 179.569 176.870 -0.054 0.000 1.071 166 L CA 2.625 57.452 54.840 -0.023 0.000 0.745 166 L CB -1.487 40.624 42.059 0.086 0.000 0.892 166 L HN 0.415 nan 8.230 nan 0.000 0.431 167 A N -0.516 122.294 122.820 -0.017 0.000 1.917 167 A HA -0.185 4.136 4.320 0.001 0.000 0.219 167 A C 2.341 179.906 177.584 -0.032 0.000 1.182 167 A CA 2.129 54.153 52.037 -0.021 0.000 0.633 167 A CB -0.955 18.043 19.000 -0.002 0.000 0.819 167 A HN 0.377 nan 8.150 nan 0.000 0.448 168 V N -0.358 119.539 119.914 -0.028 0.000 2.343 168 V HA -0.233 3.888 4.120 0.001 0.000 0.247 168 V C 3.048 179.116 176.094 -0.043 0.000 1.051 168 V CA 1.922 64.204 62.300 -0.029 0.000 1.036 168 V CB -1.177 30.633 31.823 -0.021 0.000 0.654 168 V HN 0.631 nan 8.190 nan 0.000 0.451 169 A N -0.375 122.409 122.820 -0.061 0.000 1.933 169 A HA -0.147 4.174 4.320 0.001 0.000 0.218 169 A C 2.349 179.878 177.584 -0.092 0.000 1.175 169 A CA 1.998 53.986 52.037 -0.081 0.000 0.628 169 A CB -0.571 18.362 19.000 -0.111 0.000 0.814 169 A HN 0.354 nan 8.150 nan 0.000 0.444 170 V N 0.015 119.867 119.914 -0.102 0.000 2.548 170 V HA -0.218 3.903 4.120 0.001 0.000 0.249 170 V C 2.318 178.377 176.094 -0.058 0.000 1.055 170 V CA 2.064 64.305 62.300 -0.097 0.000 1.065 170 V CB -0.785 30.970 31.823 -0.112 0.000 0.681 170 V HN 0.642 nan 8.190 nan 0.000 0.462 171 E N 0.140 120.313 120.200 -0.045 0.000 2.051 171 E HA -0.232 4.119 4.350 0.001 0.000 0.192 171 E C 1.940 178.523 176.600 -0.029 0.000 0.991 171 E CA 1.516 57.898 56.400 -0.031 0.000 0.799 171 E CB -0.215 29.471 29.700 -0.024 0.000 0.748 171 E HN 0.574 nan 8.360 nan 0.000 0.449 172 D N 0.198 120.578 120.400 -0.033 0.000 2.149 172 D HA -0.136 4.505 4.640 0.001 0.000 0.198 172 D C 2.008 178.291 176.300 -0.029 0.000 0.990 172 D CA 0.918 54.901 54.000 -0.029 0.000 0.839 172 D CB -0.378 40.403 40.800 -0.030 0.000 0.948 172 D HN -0.031 nan 8.370 nan 0.000 0.460 173 S N -0.229 115.447 115.700 -0.039 0.000 2.355 173 S HA -0.109 4.362 4.470 0.001 0.000 0.222 173 S C 2.026 176.613 174.600 -0.022 0.000 1.031 173 S CA 1.331 59.510 58.200 -0.036 0.000 0.993 173 S CB -0.209 62.959 63.200 -0.053 0.000 0.859 173 S HN 0.273 nan 8.310 nan 0.000 0.453 174 A N 1.765 124.571 122.820 -0.023 0.000 1.873 174 A HA -0.177 4.144 4.320 0.001 0.000 0.218 174 A C 2.120 179.696 177.584 -0.014 0.000 1.193 174 A CA 2.034 54.061 52.037 -0.016 0.000 0.629 174 A CB -0.903 18.086 19.000 -0.017 0.000 0.826 174 A HN 0.587 nan 8.150 nan 0.000 0.447 175 R N -0.591 119.900 120.500 -0.015 0.000 2.122 175 R HA -0.215 4.126 4.340 0.001 0.000 0.236 175 R C 2.374 178.670 176.300 -0.006 0.000 1.129 175 R CA 2.076 58.169 56.100 -0.012 0.000 0.925 175 R CB -0.560 29.733 30.300 -0.012 0.000 0.850 175 R HN 0.477 nan 8.270 nan 0.000 0.431 176 A N 0.847 123.664 122.820 -0.005 0.000 1.940 176 A HA -0.186 4.134 4.320 0.001 0.000 0.219 176 A C 2.210 179.801 177.584 0.012 0.000 1.176 176 A CA 1.524 53.564 52.037 0.005 0.000 0.631 176 A CB -0.728 18.272 19.000 -0.001 0.000 0.814 176 A HN 0.497 nan 8.150 nan 0.000 0.446 177 L N -0.441 120.785 121.223 0.005 0.000 1.990 177 L HA -0.244 4.097 4.340 0.001 0.000 0.213 177 L C 2.480 179.348 176.870 -0.002 0.000 1.072 177 L CA 2.130 56.974 54.840 0.006 0.000 0.755 177 L CB -0.386 41.677 42.059 0.006 0.000 0.889 177 L HN 0.366 nan 8.230 nan 0.000 0.432 178 E N -0.186 120.008 120.200 -0.010 0.000 2.204 178 E HA -0.250 4.101 4.350 0.001 0.000 0.195 178 E C 2.029 178.616 176.600 -0.022 0.000 0.990 178 E CA 1.252 57.639 56.400 -0.021 0.000 0.821 178 E CB -0.167 29.520 29.700 -0.022 0.000 0.750 178 E HN 0.708 nan 8.360 nan 0.000 0.477 179 Q N -0.110 119.684 119.800 -0.009 0.000 2.319 179 Q HA 0.264 4.605 4.340 0.001 0.000 0.202 179 Q C 0.324 176.323 176.000 -0.002 0.000 0.896 179 Q CA 0.012 55.810 55.803 -0.008 0.000 0.942 179 Q CB 0.662 29.404 28.738 0.007 0.000 1.083 179 Q HN 0.053 nan 8.270 nan 0.000 0.510 180 A N 2.332 125.158 122.820 0.009 0.000 2.545 180 A HA 0.084 4.404 4.320 0.001 0.000 0.253 180 A C -1.694 175.841 177.584 -0.080 0.000 1.074 180 A CA -0.909 51.141 52.037 0.023 0.000 0.760 180 A CB 0.119 19.142 19.000 0.039 0.000 1.005 180 A HN 0.070 nan 8.150 nan 0.000 0.506 181 P HA 0.014 nan 4.420 nan 0.000 0.221 181 P C -0.011 177.167 177.300 -0.204 0.000 1.155 181 P CA 0.872 63.835 63.100 -0.228 0.000 0.812 181 P CB 0.284 31.779 31.700 -0.343 0.000 0.801 182 N N -1.957 116.621 118.700 -0.205 0.000 2.545 182 N HA 0.150 4.890 4.740 0.001 0.000 0.289 182 N C 0.723 176.186 175.510 -0.080 0.000 1.279 182 N CA -0.600 52.386 53.050 -0.107 0.000 0.824 182 N CB 0.127 38.603 38.487 -0.019 0.000 1.395 182 N HN -0.056 nan 8.380 nan 0.000 0.526 183 H N 0.217 119.292 119.070 0.008 0.000 2.421 183 H HA -0.035 4.522 4.556 0.001 0.000 0.298 183 H C 0.998 176.350 175.328 0.041 0.000 1.087 183 H CA 1.427 57.484 56.048 0.015 0.000 1.330 183 H CB 0.405 30.166 29.762 -0.003 0.000 1.388 183 H HN 0.536 nan 8.280 nan 0.000 0.526 184 E N -0.042 120.268 120.200 0.183 0.000 2.038 184 E HA -0.176 4.174 4.350 0.001 0.000 0.195 184 E C 1.908 178.615 176.600 0.177 0.000 1.000 184 E CA 1.383 57.883 56.400 0.165 0.000 0.803 184 E CB -0.161 29.649 29.700 0.183 0.000 0.750 184 E HN 0.554 nan 8.360 nan 0.000 0.448 185 H N -0.291 118.785 119.070 0.010 0.000 2.352 185 H HA -0.043 4.514 4.556 0.001 0.000 0.299 185 H C 2.057 177.383 175.328 -0.004 0.000 1.097 185 H CA 1.255 57.302 56.048 -0.002 0.000 1.311 185 H CB -0.353 29.400 29.762 -0.014 0.000 1.377 185 H HN 0.121 nan 8.280 nan 0.000 0.504 186 L N -0.273 121.015 121.223 0.108 0.000 2.012 186 L HA -0.200 4.140 4.340 0.001 0.000 0.210 186 L C 2.267 179.159 176.870 0.037 0.000 1.073 186 L CA 1.126 55.998 54.840 0.053 0.000 0.748 186 L CB -0.504 41.573 42.059 0.031 0.000 0.891 186 L HN 0.274 nan 8.230 nan 0.000 0.431 187 L N -0.926 120.320 121.223 0.039 0.000 2.079 187 L HA -0.227 4.114 4.340 0.001 0.000 0.210 187 L C 2.582 179.466 176.870 0.024 0.000 1.081 187 L CA 1.512 56.365 54.840 0.023 0.000 0.752 187 L CB -0.778 41.296 42.059 0.026 0.000 0.896 187 L HN 0.284 nan 8.230 nan 0.000 0.433 188 T N -1.086 113.471 114.554 0.005 0.000 2.737 188 T HA -0.215 4.135 4.350 0.001 0.000 0.265 188 T C 1.769 176.457 174.700 -0.020 0.000 1.038 188 T CA 1.611 63.696 62.100 -0.025 0.000 1.144 188 T CB -0.103 68.708 68.868 -0.095 0.000 0.866 188 T HN 0.275 nan 8.240 nan 0.000 0.434 189 E N 1.538 121.729 120.200 -0.016 0.000 2.110 189 E HA -0.154 4.196 4.350 0.001 0.000 0.193 189 E C 2.102 178.700 176.600 -0.004 0.000 0.988 189 E CA 1.570 57.962 56.400 -0.012 0.000 0.804 189 E CB -0.271 29.427 29.700 -0.002 0.000 0.745 189 E HN 0.638 nan 8.360 nan 0.000 0.458 190 E N -0.038 120.171 120.200 0.015 0.000 2.038 190 E HA -0.258 4.092 4.350 0.001 0.000 0.195 190 E C 1.975 178.587 176.600 0.021 0.000 1.000 190 E CA 1.468 57.886 56.400 0.029 0.000 0.803 190 E CB -0.382 29.358 29.700 0.066 0.000 0.750 190 E HN 0.324 nan 8.360 nan 0.000 0.448 191 A N 1.885 124.728 122.820 0.040 0.000 1.972 191 A HA -0.195 4.126 4.320 0.001 0.000 0.219 191 A C 2.293 179.883 177.584 0.010 0.000 1.169 191 A CA 1.552 53.616 52.037 0.045 0.000 0.635 191 A CB -0.683 18.358 19.000 0.069 0.000 0.810 191 A HN 0.338 nan 8.150 nan 0.000 0.446 192 R N -0.514 119.983 120.500 -0.004 0.000 2.096 192 R HA -0.125 4.216 4.340 0.001 0.000 0.235 192 R C 1.985 178.253 176.300 -0.053 0.000 1.127 192 R CA 1.794 57.883 56.100 -0.019 0.000 0.968 192 R CB -0.466 29.822 30.300 -0.021 0.000 0.861 192 R HN 0.433 nan 8.270 nan 0.000 0.440 193 L N 0.936 122.116 121.223 -0.072 0.000 2.056 193 L HA -0.041 4.300 4.340 0.001 0.000 0.207 193 L C 2.109 178.856 176.870 -0.206 0.000 1.078 193 L CA 1.828 56.596 54.840 -0.121 0.000 0.749 193 L CB -0.576 41.416 42.059 -0.112 0.000 0.901 193 L HN 0.074 nan 8.230 nan 0.000 0.433 194 S N -0.333 115.229 115.700 -0.230 0.000 2.370 194 S HA -0.254 4.217 4.470 0.001 0.000 0.226 194 S C 1.969 176.131 174.600 -0.731 0.000 1.033 194 S CA 1.715 59.626 58.200 -0.482 0.000 1.011 194 S CB -0.338 62.656 63.200 -0.343 0.000 0.852 194 S HN 0.507 nan 8.310 nan 0.000 0.457 195 K N 0.701 120.932 120.400 -0.281 0.000 2.097 195 K HA -0.051 4.269 4.320 0.001 0.000 0.205 195 K C 2.215 178.817 176.600 0.003 0.000 1.050 195 K CA 0.795 57.072 56.287 -0.016 0.000 0.938 195 K CB 0.007 32.579 32.500 0.119 0.000 0.718 195 K HN 0.017 nan 8.250 nan 0.000 0.442 196 R N 0.861 121.318 120.500 -0.072 0.000 2.081 196 R HA -0.056 4.285 4.340 0.001 0.000 0.235 196 R C 2.313 178.567 176.300 -0.077 0.000 1.131 196 R CA 1.087 57.155 56.100 -0.054 0.000 0.960 196 R CB -0.736 29.514 30.300 -0.084 0.000 0.856 196 R HN 0.313 nan 8.270 nan 0.000 0.436 197 L N -0.451 120.651 121.223 -0.201 0.000 2.056 197 L HA -0.138 4.203 4.340 0.001 0.000 0.207 197 L C 2.265 179.173 176.870 0.064 0.000 1.078 197 L CA 1.050 55.796 54.840 -0.157 0.000 0.749 197 L CB -0.592 41.267 42.059 -0.334 0.000 0.901 197 L HN 0.002 nan 8.230 nan 0.000 0.433 198 F N 0.736 120.749 119.950 0.105 0.000 2.120 198 F HA -0.280 4.248 4.527 0.001 0.000 0.300 198 F C 2.627 178.318 175.800 -0.181 0.000 1.095 198 F CA 1.561 59.555 58.000 -0.011 0.000 1.249 198 F CB -0.874 38.302 39.000 0.294 0.000 0.995 198 F HN 0.055 nan 8.300 nan 0.000 0.480 199 K N 0.582 121.089 120.400 0.177 0.000 2.057 199 K HA -0.109 4.212 4.320 0.001 0.000 0.206 199 K C 2.063 178.661 176.600 -0.003 0.000 1.050 199 K CA 1.051 57.401 56.287 0.105 0.000 0.935 199 K CB -0.268 32.304 32.500 0.120 0.000 0.715 199 K HN 0.248 nan 8.250 nan 0.000 0.439 200 L N 0.485 121.725 121.223 0.029 0.000 2.093 200 L HA -0.113 4.227 4.340 0.001 0.000 0.208 200 L C 2.630 179.448 176.870 -0.087 0.000 1.085 200 L CA 1.148 56.010 54.840 0.036 0.000 0.755 200 L CB -0.498 41.661 42.059 0.167 0.000 0.904 200 L HN 0.292 nan 8.230 nan 0.000 0.435 201 A N 0.068 122.816 122.820 -0.121 0.000 1.898 201 A HA -0.112 4.208 4.320 0.001 0.000 0.216 201 A C 2.564 179.735 177.584 -0.688 0.000 1.181 201 A CA 1.512 53.316 52.037 -0.389 0.000 0.620 201 A CB -0.686 18.045 19.000 -0.448 0.000 0.819 201 A HN 0.368 nan 8.150 nan 0.000 0.442 202 A N -0.547 121.728 122.820 -0.907 0.000 1.892 202 A HA -0.270 4.051 4.320 0.001 0.000 0.218 202 A C 2.136 179.669 177.584 -0.085 0.000 1.188 202 A CA 1.883 53.651 52.037 -0.448 0.000 0.631 202 A CB -0.629 18.302 19.000 -0.116 0.000 0.822 202 A HN 0.659 nan 8.150 nan 0.000 0.447 203 Q N -1.005 118.732 119.800 -0.105 0.000 2.123 203 Q HA 0.004 4.345 4.340 0.001 0.000 0.199 203 Q C 2.356 178.291 176.000 -0.108 0.000 0.966 203 Q CA 1.094 56.863 55.803 -0.056 0.000 0.845 203 Q CB -0.341 28.369 28.738 -0.048 0.000 0.907 203 Q HN 0.688 nan 8.270 nan 0.000 0.439 204 A N 0.800 123.478 122.820 -0.237 0.000 2.019 204 A HA -0.134 4.186 4.320 0.001 0.000 0.219 204 A C 1.988 179.463 177.584 -0.181 0.000 1.164 204 A CA 1.753 53.585 52.037 -0.342 0.000 0.644 204 A CB -0.372 18.097 19.000 -0.885 0.000 0.805 204 A HN 0.456 nan 8.150 nan 0.000 0.449 205 T N -4.948 109.573 114.554 -0.055 0.000 3.145 205 T HA 0.339 4.689 4.350 0.001 0.000 0.281 205 T C 0.397 175.182 174.700 0.142 0.000 1.003 205 T CA 0.118 62.272 62.100 0.090 0.000 0.901 205 T CB -0.213 68.793 68.868 0.231 0.000 1.112 205 T HN 0.518 nan 8.240 nan 0.000 0.535 206 R N -0.632 119.929 120.500 0.101 0.000 3.525 206 R HA -0.230 4.111 4.340 0.001 0.000 0.276 206 R C 0.154 176.551 176.300 0.161 0.000 1.116 206 R CA 0.765 56.926 56.100 0.101 0.000 0.745 206 R CB -2.857 27.478 30.300 0.059 0.000 1.185 206 R HN 0.534 nan 8.270 nan 0.000 0.454 207 Y N 0.749 121.118 120.300 0.114 0.000 2.509 207 Y HA -0.006 4.545 4.550 0.001 0.000 0.293 207 Y C 1.690 177.675 175.900 0.141 0.000 1.133 207 Y CA 1.885 60.087 58.100 0.170 0.000 1.283 207 Y CB 0.365 39.018 38.460 0.321 0.000 1.001 207 Y HN 0.549 nan 8.280 nan 0.000 0.555 208 G N 0.822 109.737 108.800 0.193 0.000 2.741 208 G HA2 -0.334 3.626 3.960 0.001 0.000 0.222 208 G HA3 -0.334 3.626 3.960 0.001 0.000 0.222 208 G C -0.825 174.245 174.900 0.284 0.000 1.364 208 G CA -0.267 44.921 45.100 0.147 0.000 0.866 208 G HN 0.398 nan 8.290 nan 0.000 0.555 209 E N -0.718 119.605 120.200 0.205 0.000 2.417 209 E HA 0.479 4.830 4.350 0.001 0.000 0.261 209 E C -0.341 176.482 176.600 0.372 0.000 1.000 209 E CA -0.023 56.517 56.400 0.233 0.000 0.919 209 E CB 0.152 29.930 29.700 0.130 0.000 0.955 209 E HN 0.847 nan 8.360 nan 0.000 0.455 210 F N 4.682 124.774 119.950 0.236 0.000 2.508 210 F HA 0.589 5.116 4.527 0.001 0.000 0.325 210 F C -1.408 174.476 175.800 0.141 0.000 1.090 210 F CA -0.950 57.203 58.000 0.254 0.000 0.945 210 F CB 1.363 40.526 39.000 0.271 0.000 1.156 210 F HN 0.205 nan 8.300 nan 0.000 0.463 211 V N 5.994 125.387 119.914 -0.869 0.000 2.447 211 V HA 0.370 4.491 4.120 0.001 0.000 0.292 211 V C -0.465 174.965 176.094 -1.106 0.000 1.021 211 V CA -0.888 60.979 62.300 -0.721 0.000 0.850 211 V CB 1.344 32.983 31.823 -0.307 0.000 1.005 211 V HN 0.711 nan 8.190 nan 0.000 0.426 212 R N 3.931 123.915 120.500 -0.860 0.000 2.484 212 R HA 0.477 4.817 4.340 0.001 0.000 0.293 212 R C 0.052 176.162 176.300 -0.316 0.000 1.023 212 R CA 0.613 56.368 56.100 -0.575 0.000 1.037 212 R CB 0.481 30.622 30.300 -0.266 0.000 0.951 212 R HN 0.867 nan 8.270 nan 0.000 0.418 213 A N 4.814 127.480 122.820 -0.257 0.000 2.305 213 A HA 0.453 4.773 4.320 0.001 0.000 0.322 213 A C -0.608 176.927 177.584 -0.082 0.000 1.187 213 A CA -0.778 51.170 52.037 -0.149 0.000 0.825 213 A CB 0.676 19.592 19.000 -0.141 0.000 1.164 213 A HN 0.768 nan 8.150 nan 0.000 0.498 214 K N 0.787 121.158 120.400 -0.048 0.000 2.090 214 K HA 0.501 4.822 4.320 0.001 0.000 0.250 214 K C -0.051 176.540 176.600 -0.015 0.000 1.004 214 K CA -0.627 55.650 56.287 -0.018 0.000 0.919 214 K CB 0.519 33.016 32.500 -0.004 0.000 1.045 214 K HN 0.686 nan 8.250 nan 0.000 0.471 215 R N 0.020 120.518 120.500 -0.003 0.000 3.641 215 R HA -0.225 4.115 4.340 0.001 0.000 0.286 215 R C 0.513 176.818 176.300 0.008 0.000 1.153 215 R CA 0.298 56.399 56.100 0.003 0.000 0.775 215 R CB -2.695 27.606 30.300 0.001 0.000 1.215 215 R HN 1.131 nan 8.270 nan 0.000 0.474 216 G N -0.373 108.427 108.800 -0.001 0.000 2.168 216 G HA2 -0.394 3.566 3.960 0.001 0.000 0.257 216 G HA3 -0.394 3.566 3.960 0.001 0.000 0.257 216 G C 0.673 175.568 174.900 -0.007 0.000 0.997 216 G CA 0.777 45.878 45.100 0.002 0.000 0.708 216 G HN 0.859 nan 8.290 nan 0.000 0.520 217 S N -0.868 114.819 115.700 -0.021 0.000 2.558 217 S HA 0.456 4.927 4.470 0.001 0.000 0.217 217 S C 1.399 175.972 174.600 -0.044 0.000 0.975 217 S CA 0.727 58.912 58.200 -0.025 0.000 0.912 217 S CB 0.582 63.767 63.200 -0.024 0.000 0.776 217 S HN 1.565 nan 8.310 nan 0.000 0.526 218 G N 0.166 108.928 108.800 -0.063 0.000 2.403 218 G HA2 0.485 4.445 3.960 0.001 0.000 0.259 218 G HA3 0.485 4.445 3.960 0.001 0.000 0.259 218 G C 0.708 175.559 174.900 -0.082 0.000 1.244 218 G CA -0.290 44.760 45.100 -0.083 0.000 0.849 218 G HN 0.359 nan 8.290 nan 0.000 0.532 219 G N 1.479 110.233 108.800 -0.077 0.000 2.887 219 G HA2 0.084 4.045 3.960 0.001 0.000 0.211 219 G HA3 0.084 4.045 3.960 0.001 0.000 0.211 219 G C 0.487 175.325 174.900 -0.103 0.000 1.152 219 G CA 0.103 45.155 45.100 -0.081 0.000 0.769 219 G HN 0.734 nan 8.290 nan 0.000 0.541 220 D N 0.629 120.980 120.400 -0.083 0.000 2.339 220 D HA 0.160 4.800 4.640 0.001 0.000 0.245 220 D C -1.905 174.301 176.300 -0.157 0.000 1.115 220 D CA -1.587 52.379 54.000 -0.057 0.000 0.917 220 D CB 1.536 42.382 40.800 0.076 0.000 1.192 220 D HN -0.099 nan 8.370 nan 0.000 0.428 221 P HA -0.160 nan 4.420 nan 0.000 0.215 221 P C 1.336 178.176 177.300 -0.766 0.000 1.157 221 P CA 2.413 65.168 63.100 -0.574 0.000 0.874 221 P CB -0.005 31.505 31.700 -0.316 0.000 0.790 222 A N -0.477 122.076 122.820 -0.445 0.000 1.877 222 A HA -0.233 4.087 4.320 0.001 0.000 0.216 222 A C 2.261 179.510 177.584 -0.558 0.000 1.186 222 A CA 1.850 53.387 52.037 -0.834 0.000 0.620 222 A CB -1.500 16.451 19.000 -1.747 0.000 0.822 222 A HN 0.122 nan 8.150 nan 0.000 0.443 223 N N -0.309 118.258 118.700 -0.221 0.000 2.120 223 N HA -0.128 4.613 4.740 0.001 0.000 0.188 223 N C 1.908 177.285 175.510 -0.222 0.000 1.024 223 N CA 1.289 54.258 53.050 -0.134 0.000 0.852 223 N CB -0.368 38.067 38.487 -0.087 0.000 1.003 223 N HN 0.502 nan 8.380 nan 0.000 0.424 224 R N -0.288 120.015 120.500 -0.328 0.000 2.096 224 R HA -0.062 4.279 4.340 0.001 0.000 0.235 224 R C 1.903 178.051 176.300 -0.254 0.000 1.127 224 R CA 0.993 56.907 56.100 -0.309 0.000 0.968 224 R CB -0.277 29.782 30.300 -0.401 0.000 0.861 224 R HN 0.190 nan 8.270 nan 0.000 0.440 225 F N 0.811 120.483 119.950 -0.463 0.000 2.206 225 F HA -0.027 4.500 4.527 0.001 0.000 0.298 225 F C 2.163 177.616 175.800 -0.578 0.000 1.090 225 F CA 0.512 57.988 58.000 -0.873 0.000 1.323 225 F CB -0.839 37.295 39.000 -1.443 0.000 1.028 225 F HN -0.070 nan 8.300 nan 0.000 0.492 226 L N -0.199 120.895 121.223 -0.216 0.000 1.970 226 L HA -0.248 4.092 4.340 0.001 0.000 0.212 226 L C 2.269 179.116 176.870 -0.039 0.000 1.071 226 L CA 1.538 56.329 54.840 -0.082 0.000 0.751 226 L CB -0.780 41.222 42.059 -0.095 0.000 0.889 226 L HN 0.022 nan 8.230 nan 0.000 0.432 227 D N -1.128 119.231 120.400 -0.069 0.000 2.116 227 D HA -0.257 4.384 4.640 0.001 0.000 0.193 227 D C 2.031 178.251 176.300 -0.134 0.000 0.998 227 D CA 1.686 55.624 54.000 -0.104 0.000 0.836 227 D CB -0.389 40.374 40.800 -0.062 0.000 0.951 227 D HN 0.390 nan 8.370 nan 0.000 0.449 228 H N 0.041 119.093 119.070 -0.030 0.000 2.321 228 H HA -0.027 4.529 4.556 0.001 0.000 0.300 228 H C 2.139 177.590 175.328 0.206 0.000 1.087 228 H CA 2.176 58.307 56.048 0.138 0.000 1.319 228 H CB -0.487 29.382 29.762 0.177 0.000 1.379 228 H HN 0.159 nan 8.280 nan 0.000 0.501 229 G N -0.109 108.901 108.800 0.351 0.000 2.432 229 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 229 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 229 G C 1.590 176.441 174.900 -0.083 0.000 1.135 229 G CA 0.848 46.104 45.100 0.261 0.000 0.767 229 G HN 0.385 nan 8.290 nan 0.000 0.550 230 N N -0.026 118.537 118.700 -0.228 0.000 2.205 230 N HA -0.098 4.642 4.740 0.001 0.000 0.186 230 N C 1.742 176.724 175.510 -0.879 0.000 1.015 230 N CA 0.791 53.483 53.050 -0.597 0.000 0.862 230 N CB -0.393 37.750 38.487 -0.573 0.000 0.986 230 N HN 0.414 nan 8.380 nan 0.000 0.429 231 Y N 0.584 120.651 120.300 -0.388 0.000 2.242 231 Y HA -0.052 4.498 4.550 0.001 0.000 0.291 231 Y C 1.959 177.788 175.900 -0.119 0.000 1.137 231 Y CA 0.452 58.452 58.100 -0.166 0.000 1.181 231 Y CB -0.459 37.937 38.460 -0.106 0.000 0.989 231 Y HN -0.030 nan 8.280 nan 0.000 0.527 232 L N -0.439 120.770 121.223 -0.024 0.000 2.046 232 L HA -0.197 4.143 4.340 0.001 0.000 0.208 232 L C 2.523 179.357 176.870 -0.059 0.000 1.077 232 L CA 1.909 56.721 54.840 -0.047 0.000 0.747 232 L CB -1.670 40.319 42.059 -0.117 0.000 0.896 232 L HN 0.196 nan 8.230 nan 0.000 0.432 233 A N -1.694 121.025 122.820 -0.168 0.000 1.897 233 A HA -0.193 4.128 4.320 0.001 0.000 0.215 233 A C 2.161 179.703 177.584 -0.069 0.000 1.181 233 A CA 1.101 53.050 52.037 -0.146 0.000 0.620 233 A CB -0.770 18.110 19.000 -0.199 0.000 0.821 233 A HN 0.363 nan 8.150 nan 0.000 0.443 234 Y N 0.355 120.643 120.300 -0.020 0.000 2.128 234 Y HA -0.123 4.428 4.550 0.001 0.000 0.284 234 Y C 2.807 178.700 175.900 -0.010 0.000 1.154 234 Y CA 0.451 58.524 58.100 -0.046 0.000 1.149 234 Y CB -1.537 36.959 38.460 0.061 0.000 0.976 234 Y HN 0.283 nan 8.280 nan 0.000 0.505 235 G N 0.013 108.994 108.800 0.303 0.000 2.446 235 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 235 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 235 G C 1.772 176.611 174.900 -0.102 0.000 1.168 235 G CA 1.194 46.370 45.100 0.127 0.000 0.771 235 G HN 0.389 nan 8.290 nan 0.000 0.551 236 L N 0.609 121.810 121.223 -0.037 0.000 2.093 236 L HA 0.005 4.345 4.340 0.001 0.000 0.208 236 L C 3.395 180.212 176.870 -0.088 0.000 1.085 236 L CA 0.846 55.660 54.840 -0.043 0.000 0.755 236 L CB -0.390 41.664 42.059 -0.009 0.000 0.904 236 L HN 0.308 nan 8.230 nan 0.000 0.435 237 A N 0.284 123.035 122.820 -0.115 0.000 1.877 237 A HA -0.175 4.146 4.320 0.001 0.000 0.216 237 A C 2.575 179.970 177.584 -0.315 0.000 1.186 237 A CA 1.721 53.656 52.037 -0.169 0.000 0.620 237 A CB -0.787 18.125 19.000 -0.147 0.000 0.822 237 A HN 0.374 nan 8.150 nan 0.000 0.443 238 A N -1.080 121.419 122.820 -0.535 0.000 1.948 238 A HA -0.138 4.183 4.320 0.001 0.000 0.220 238 A C 2.312 179.706 177.584 -0.317 0.000 1.177 238 A CA 2.482 54.031 52.037 -0.812 0.000 0.636 238 A CB -1.279 16.729 19.000 -1.653 0.000 0.815 238 A HN 0.448 nan 8.150 nan 0.000 0.449 239 T N -0.050 114.365 114.554 -0.232 0.000 2.737 239 T HA 0.053 4.403 4.350 0.001 0.000 0.265 239 T C 2.294 177.008 174.700 0.023 0.000 1.038 239 T CA 1.535 63.627 62.100 -0.012 0.000 1.144 239 T CB -0.493 68.403 68.868 0.047 0.000 0.866 239 T HN 0.613 nan 8.240 nan 0.000 0.434 240 A N 1.850 124.637 122.820 -0.055 0.000 1.883 240 A HA -0.187 4.134 4.320 0.001 0.000 0.217 240 A C 2.627 180.133 177.584 -0.130 0.000 1.186 240 A CA 2.630 54.616 52.037 -0.086 0.000 0.624 240 A CB -1.408 17.545 19.000 -0.079 0.000 0.822 240 A HN 0.655 nan 8.150 nan 0.000 0.444 241 T N -4.370 110.111 114.554 -0.122 0.000 2.737 241 T HA -0.232 4.119 4.350 0.001 0.000 0.265 241 T C 1.685 176.328 174.700 -0.095 0.000 1.038 241 T CA 1.506 63.519 62.100 -0.144 0.000 1.144 241 T CB -0.651 68.144 68.868 -0.121 0.000 0.866 241 T HN 0.636 nan 8.240 nan 0.000 0.434 242 W N 1.571 122.807 121.300 -0.106 0.000 2.318 242 W HA -0.118 4.542 4.660 0.001 0.000 0.313 242 W C 2.295 178.715 176.519 -0.166 0.000 1.221 242 W CA 1.209 58.474 57.345 -0.133 0.000 1.266 242 W CB -0.811 28.577 29.460 -0.119 0.000 1.150 242 W HN 0.109 nan 8.180 nan 0.000 0.496 243 V N 1.332 121.005 119.914 -0.402 0.000 2.594 243 V HA -0.240 3.881 4.120 0.001 0.000 0.253 243 V C 1.967 177.716 176.094 -0.575 0.000 1.069 243 V CA 2.005 63.878 62.300 -0.712 0.000 1.082 243 V CB -0.453 31.113 31.823 -0.428 0.000 0.680 243 V HN 0.270 nan 8.190 nan 0.000 0.469 244 L N -0.116 120.852 121.223 -0.425 0.000 2.592 244 L HA 0.329 4.670 4.340 0.001 0.000 0.227 244 L C 1.676 178.432 176.870 -0.190 0.000 1.127 244 L CA 0.785 55.432 54.840 -0.322 0.000 0.884 244 L CB -0.360 41.451 42.059 -0.414 0.000 1.065 244 L HN 0.506 nan 8.230 nan 0.000 0.457 245 G N 1.313 109.912 108.800 -0.334 0.000 2.160 245 G HA2 -0.290 3.670 3.960 0.001 0.000 0.251 245 G HA3 -0.290 3.670 3.960 0.001 0.000 0.251 245 G C 0.123 174.904 174.900 -0.199 0.000 1.008 245 G CA -0.085 44.856 45.100 -0.264 0.000 0.724 245 G HN 0.321 nan 8.290 nan 0.000 0.514 246 I N 1.601 122.021 120.570 -0.251 0.000 2.325 246 I HA 0.310 4.480 4.170 0.001 0.000 0.291 246 I C -1.812 174.147 176.117 -0.262 0.000 1.019 246 I CA -2.417 58.683 61.300 -0.333 0.000 1.302 246 I CB 1.292 38.924 38.000 -0.613 0.000 1.401 246 I HN -0.148 nan 8.210 nan 0.000 0.485 247 P HA 0.027 nan 4.420 nan 0.000 0.268 247 P C 0.265 177.493 177.300 -0.121 0.000 1.205 247 P CA 0.148 63.135 63.100 -0.188 0.000 0.771 247 P CB 0.329 31.915 31.700 -0.190 0.000 0.858 248 H N 1.543 120.529 119.070 -0.141 0.000 2.456 248 H HA -0.097 4.460 4.556 0.001 0.000 0.296 248 H C 1.965 177.241 175.328 -0.086 0.000 1.079 248 H CA 0.803 56.782 56.048 -0.116 0.000 1.322 248 H CB -0.112 29.619 29.762 -0.051 0.000 1.388 248 H HN 0.591 nan 8.280 nan 0.000 0.538 249 G N 0.545 109.353 108.800 0.014 0.000 2.650 249 G HA2 -0.039 3.922 3.960 0.001 0.000 0.214 249 G HA3 -0.039 3.922 3.960 0.001 0.000 0.214 249 G C 0.802 175.615 174.900 -0.145 0.000 1.136 249 G CA -0.136 44.950 45.100 -0.022 0.000 0.789 249 G HN 0.210 nan 8.290 nan 0.000 0.536 250 L N 2.086 123.117 121.223 -0.319 0.000 2.533 250 L HA 0.388 4.728 4.340 0.001 0.000 0.239 250 L C 1.024 178.002 176.870 0.181 0.000 1.376 250 L CA -0.790 53.661 54.840 -0.649 0.000 1.240 250 L CB -0.256 41.279 42.059 -0.875 0.000 1.487 250 L HN 0.109 nan 8.230 nan 0.000 0.419 251 A N 0.633 123.676 122.820 0.371 0.000 2.462 251 A HA 0.307 4.627 4.320 0.001 0.000 0.243 251 A C 1.094 179.029 177.584 0.584 0.000 1.076 251 A CA -0.092 52.197 52.037 0.420 0.000 0.773 251 A CB 0.843 20.019 19.000 0.294 0.000 1.010 251 A HN 0.430 nan 8.150 nan 0.000 0.493 252 V N 0.185 120.387 119.914 0.480 0.000 3.643 252 V HA 0.231 4.352 4.120 0.001 0.000 0.280 252 V C 1.018 177.244 176.094 0.221 0.000 1.351 252 V CA 1.031 63.564 62.300 0.388 0.000 1.073 252 V CB -0.258 31.884 31.823 0.533 0.000 0.863 252 V HN 0.715 nan 8.190 nan 0.000 0.436 253 L N 0.265 121.571 121.223 0.139 0.000 2.738 253 L HA 0.521 4.862 4.340 0.001 0.000 0.175 253 L C 1.897 178.696 176.870 -0.119 0.000 1.125 253 L CA 1.388 56.225 54.840 -0.005 0.000 0.857 253 L CB -0.291 41.691 42.059 -0.127 0.000 1.300 253 L HN 0.275 nan 8.230 nan 0.000 0.499 254 H N -0.198 118.915 119.070 0.072 0.000 2.566 254 H HA 0.281 4.838 4.556 0.001 0.000 0.280 254 H C 1.850 177.172 175.328 -0.010 0.000 1.042 254 H CA 0.561 56.617 56.048 0.013 0.000 1.168 254 H CB -0.172 29.583 29.762 -0.011 0.000 1.340 254 H HN 0.491 nan 8.280 nan 0.000 0.597 255 G N 0.928 109.790 108.800 0.103 0.000 2.475 255 G HA2 -0.290 3.671 3.960 0.001 0.000 0.220 255 G HA3 -0.290 3.671 3.960 0.001 0.000 0.220 255 G C 1.800 176.730 174.900 0.051 0.000 1.125 255 G CA 0.650 45.808 45.100 0.096 0.000 0.755 255 G HN 0.201 nan 8.290 nan 0.000 0.565 256 K N 0.176 120.586 120.400 0.016 0.000 2.167 256 K HA -0.003 4.318 4.320 0.001 0.000 0.203 256 K C 2.635 179.235 176.600 -0.001 0.000 1.052 256 K CA 1.533 57.824 56.287 0.007 0.000 0.956 256 K CB -0.373 32.125 32.500 -0.003 0.000 0.735 256 K HN 0.525 nan 8.250 nan 0.000 0.451 257 T N -2.618 111.926 114.554 -0.017 0.000 3.023 257 T HA 0.299 4.649 4.350 0.001 0.000 0.253 257 T C 0.468 175.083 174.700 -0.141 0.000 1.038 257 T CA -0.348 61.716 62.100 -0.060 0.000 0.962 257 T CB 0.426 69.260 68.868 -0.057 0.000 1.018 257 T HN -0.191 nan 8.240 nan 0.000 0.521 258 R N 1.152 121.568 120.500 -0.140 0.000 2.538 258 R HA 0.536 4.877 4.340 0.001 0.000 0.292 258 R C -0.759 175.521 176.300 -0.034 0.000 1.008 258 R CA -0.602 55.359 56.100 -0.232 0.000 0.896 258 R CB 1.261 31.220 30.300 -0.569 0.000 1.187 258 R HN 0.156 nan 8.270 nan 0.000 0.440 259 R N 1.005 121.514 120.500 0.015 0.000 2.582 259 R HA 0.327 4.667 4.340 0.001 0.000 0.271 259 R C 0.394 176.809 176.300 0.191 0.000 1.078 259 R CA 0.468 56.631 56.100 0.104 0.000 1.127 259 R CB 0.661 31.026 30.300 0.108 0.000 1.038 259 R HN 0.856 nan 8.270 nan 0.000 0.500 260 G N 1.214 110.128 108.800 0.189 0.000 2.356 260 G HA2 -0.281 3.679 3.960 0.001 0.000 0.296 260 G HA3 -0.281 3.679 3.960 0.001 0.000 0.296 260 G C 0.897 175.939 174.900 0.236 0.000 1.022 260 G CA 0.443 45.675 45.100 0.219 0.000 0.961 260 G HN 0.873 nan 8.290 nan 0.000 0.510 261 G N -0.520 108.419 108.800 0.232 0.000 2.470 261 G HA2 0.019 3.980 3.960 0.001 0.000 0.220 261 G HA3 0.019 3.980 3.960 0.001 0.000 0.220 261 G C 1.654 176.712 174.900 0.263 0.000 1.121 261 G CA 1.293 46.570 45.100 0.295 0.000 0.766 261 G HN 0.882 nan 8.290 nan 0.000 0.553 262 L N 0.828 122.133 121.223 0.137 0.000 2.191 262 L HA 0.035 4.376 4.340 0.001 0.000 0.212 262 L C 2.798 179.619 176.870 -0.081 0.000 1.103 262 L CA 1.065 55.929 54.840 0.038 0.000 0.769 262 L CB -0.251 41.794 42.059 -0.023 0.000 0.908 262 L HN 0.075 nan 8.230 nan 0.000 0.438 263 V N -0.590 119.231 119.914 -0.155 0.000 2.295 263 V HA -0.310 3.811 4.120 0.001 0.000 0.246 263 V C 2.280 178.219 176.094 -0.258 0.000 1.049 263 V CA 2.211 64.305 62.300 -0.344 0.000 1.024 263 V CB -0.790 30.695 31.823 -0.564 0.000 0.648 263 V HN 0.358 nan 8.190 nan 0.000 0.447 264 F N 0.557 120.439 119.950 -0.113 0.000 2.134 264 F HA -0.166 4.362 4.527 0.001 0.000 0.299 264 F C 2.323 178.112 175.800 -0.018 0.000 1.097 264 F CA 1.679 59.618 58.000 -0.103 0.000 1.264 264 F CB -0.646 38.167 39.000 -0.311 0.000 1.001 264 F HN 0.206 nan 8.300 nan 0.000 0.479 265 D N 0.017 120.535 120.400 0.197 0.000 2.117 265 D HA -0.120 4.521 4.640 0.001 0.000 0.198 265 D C 2.488 178.651 176.300 -0.228 0.000 0.982 265 D CA 1.178 55.197 54.000 0.031 0.000 0.828 265 D CB -0.605 40.063 40.800 -0.220 0.000 0.967 265 D HN 0.122 nan 8.370 nan 0.000 0.464 266 V N 1.188 120.967 119.914 -0.226 0.000 2.488 266 V HA -0.103 4.018 4.120 0.001 0.000 0.246 266 V C 2.465 178.566 176.094 0.011 0.000 1.046 266 V CA 1.412 63.631 62.300 -0.135 0.000 1.053 266 V CB -0.620 31.138 31.823 -0.108 0.000 0.679 266 V HN 0.157 nan 8.190 nan 0.000 0.458 267 A N -0.184 122.651 122.820 0.026 0.000 1.972 267 A HA -0.250 4.071 4.320 0.001 0.000 0.219 267 A C 1.921 179.569 177.584 0.107 0.000 1.169 267 A CA 1.884 53.964 52.037 0.071 0.000 0.635 267 A CB -0.580 18.500 19.000 0.134 0.000 0.810 267 A HN 0.501 nan 8.150 nan 0.000 0.446 268 D N 0.061 120.548 120.400 0.144 0.000 2.265 268 D HA -0.109 4.532 4.640 0.001 0.000 0.208 268 D C 1.729 178.145 176.300 0.193 0.000 0.977 268 D CA 0.718 54.828 54.000 0.182 0.000 0.871 268 D CB -0.281 40.668 40.800 0.249 0.000 0.925 268 D HN 0.513 nan 8.370 nan 0.000 0.485 269 L N 0.006 121.359 121.223 0.218 0.000 2.187 269 L HA -0.145 4.195 4.340 0.001 0.000 0.213 269 L C 1.841 178.864 176.870 0.254 0.000 1.100 269 L CA 0.853 55.877 54.840 0.305 0.000 0.765 269 L CB -0.253 42.047 42.059 0.401 0.000 0.904 269 L HN 0.163 nan 8.230 nan 0.000 0.437 270 I N -6.559 114.118 120.570 0.178 0.000 4.442 270 I HA 0.140 4.310 4.170 0.001 0.000 0.331 270 I C 1.701 177.881 176.117 0.106 0.000 1.364 270 I CA 0.068 61.446 61.300 0.130 0.000 1.207 270 I CB 0.015 38.080 38.000 0.109 0.000 1.298 270 I HN -0.194 nan 8.210 nan 0.000 0.463 271 K N 1.628 122.092 120.400 0.108 0.000 1.991 271 K HA -0.124 4.197 4.320 0.001 0.000 0.212 271 K C 1.303 177.997 176.600 0.158 0.000 1.049 271 K CA 2.364 58.715 56.287 0.107 0.000 0.932 271 K CB -0.198 32.365 32.500 0.105 0.000 0.717 271 K HN 0.329 nan 8.250 nan 0.000 0.441 272 D N -0.277 120.216 120.400 0.156 0.000 2.183 272 D HA -0.096 4.545 4.640 0.001 0.000 0.203 272 D C 2.035 178.520 176.300 0.308 0.000 0.969 272 D CA 1.322 55.433 54.000 0.185 0.000 0.842 272 D CB -0.123 40.701 40.800 0.040 0.000 0.957 272 D HN 0.211 nan 8.370 nan 0.000 0.484 273 S N -0.515 115.324 115.700 0.232 0.000 2.371 273 S HA -0.012 4.459 4.470 0.001 0.000 0.224 273 S C 1.953 176.711 174.600 0.263 0.000 1.029 273 S CA 0.546 58.930 58.200 0.306 0.000 0.978 273 S CB -0.118 63.175 63.200 0.155 0.000 0.833 273 S HN 0.207 nan 8.310 nan 0.000 0.466 274 L N -0.766 120.538 121.223 0.134 0.000 2.588 274 L HA 0.312 4.652 4.340 0.001 0.000 0.194 274 L C 2.141 179.013 176.870 0.004 0.000 1.070 274 L CA 0.112 54.965 54.840 0.021 0.000 0.852 274 L CB -0.022 42.039 42.059 0.005 0.000 1.199 274 L HN 0.185 nan 8.230 nan 0.000 0.486 275 I N 0.479 121.086 120.570 0.062 0.000 2.226 275 I HA -0.293 3.877 4.170 0.001 0.000 0.245 275 I C 2.445 178.666 176.117 0.174 0.000 1.100 275 I CA 1.609 62.971 61.300 0.104 0.000 1.374 275 I CB -0.854 37.215 38.000 0.114 0.000 1.057 275 I HN 0.260 nan 8.210 nan 0.000 0.413 276 L N 1.082 122.426 121.223 0.202 0.000 2.005 276 L HA -0.119 4.221 4.340 0.001 0.000 0.207 276 L C -0.382 176.614 176.870 0.212 0.000 1.072 276 L CA 1.851 56.872 54.840 0.302 0.000 0.744 276 L CB -1.410 40.911 42.059 0.437 0.000 0.895 276 L HN 0.125 nan 8.230 nan 0.000 0.433 277 P HA -0.196 nan 4.420 nan 0.000 0.217 277 P C 1.172 178.304 177.300 -0.280 0.000 1.150 277 P CA 1.082 63.791 63.100 -0.652 0.000 0.832 277 P CB 0.011 30.725 31.700 -1.644 0.000 0.787 278 Q N 0.184 119.904 119.800 -0.134 0.000 2.167 278 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 278 Q C 1.982 178.133 176.000 0.251 0.000 0.970 278 Q CA 1.790 57.607 55.803 0.024 0.000 0.855 278 Q CB -1.299 27.435 28.738 -0.006 0.000 0.911 278 Q HN 0.109 nan 8.270 nan 0.000 0.438 279 A N -0.785 122.187 122.820 0.254 0.000 1.898 279 A HA -0.106 4.214 4.320 0.001 0.000 0.216 279 A C 1.791 179.298 177.584 -0.128 0.000 1.181 279 A CA 1.304 53.317 52.037 -0.041 0.000 0.620 279 A CB -0.794 18.099 19.000 -0.178 0.000 0.819 279 A HN 0.453 nan 8.150 nan 0.000 0.442 280 F N -0.090 119.839 119.950 -0.036 0.000 2.206 280 F HA 0.004 4.532 4.527 0.001 0.000 0.298 280 F C 2.073 177.921 175.800 0.081 0.000 1.090 280 F CA 0.962 58.943 58.000 -0.031 0.000 1.323 280 F CB -0.347 38.624 39.000 -0.047 0.000 1.028 280 F HN 0.081 nan 8.300 nan 0.000 0.492 281 L N -1.063 120.290 121.223 0.216 0.000 2.012 281 L HA -0.251 4.089 4.340 0.001 0.000 0.210 281 L C 2.504 179.452 176.870 0.130 0.000 1.073 281 L CA 1.388 56.320 54.840 0.152 0.000 0.748 281 L CB -0.910 41.188 42.059 0.064 0.000 0.891 281 L HN 0.031 nan 8.230 nan 0.000 0.431 282 S N -0.325 115.444 115.700 0.115 0.000 2.368 282 S HA -0.019 4.452 4.470 0.001 0.000 0.225 282 S C 1.256 175.990 174.600 0.223 0.000 1.030 282 S CA 0.679 58.921 58.200 0.070 0.000 0.999 282 S CB -0.304 62.781 63.200 -0.191 0.000 0.844 282 S HN 0.445 nan 8.310 nan 0.000 0.459 286 G N 2.339 111.199 108.800 0.100 0.000 2.176 286 G HA2 -0.255 3.706 3.960 0.001 0.000 0.252 286 G HA3 -0.255 3.706 3.960 0.001 0.000 0.252 286 G C -0.342 174.621 174.900 0.104 0.000 1.024 286 G CA 0.579 45.738 45.100 0.098 0.000 0.755 286 G HN 0.244 nan 8.290 nan 0.000 0.507 287 D N 1.129 121.594 120.400 0.107 0.000 2.472 287 D HA 0.273 4.913 4.640 0.001 0.000 0.237 287 D C 1.100 177.470 176.300 0.117 0.000 1.141 287 D CA 0.390 54.422 54.000 0.053 0.000 0.875 287 D CB 0.632 41.393 40.800 -0.064 0.000 1.192 287 D HN 0.419 nan 8.370 nan 0.000 0.450 288 E N 1.216 121.454 120.200 0.063 0.000 2.371 288 E HA -0.017 4.334 4.350 0.001 0.000 0.257 288 E C 1.007 177.623 176.600 0.025 0.000 1.134 288 E CA -0.254 56.198 56.400 0.087 0.000 0.919 288 E CB 0.749 30.475 29.700 0.044 0.000 1.025 288 E HN 0.524 nan 8.360 nan 0.000 0.438 289 E N 1.097 121.346 120.200 0.082 0.000 2.086 289 E HA -0.284 4.067 4.350 0.001 0.000 0.200 289 E C 1.781 178.311 176.600 -0.116 0.000 1.012 289 E CA 1.774 58.159 56.400 -0.025 0.000 0.812 289 E CB 0.156 29.794 29.700 -0.103 0.000 0.743 289 E HN 0.459 nan 8.360 nan 0.000 0.453 290 Q N 0.365 120.119 119.800 -0.077 0.000 2.167 290 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 290 Q C 1.353 177.307 176.000 -0.076 0.000 0.970 290 Q CA 1.455 57.221 55.803 -0.063 0.000 0.855 290 Q CB -0.271 28.450 28.738 -0.029 0.000 0.911 290 Q HN 0.333 nan 8.270 nan 0.000 0.438 291 D N 0.874 121.231 120.400 -0.071 0.000 2.104 291 D HA -0.142 4.499 4.640 0.001 0.000 0.194 291 D C 1.765 177.980 176.300 -0.143 0.000 0.994 291 D CA 1.177 55.125 54.000 -0.087 0.000 0.830 291 D CB -0.529 40.236 40.800 -0.059 0.000 0.959 291 D HN 0.295 nan 8.370 nan 0.000 0.452 292 F N 2.032 121.750 119.950 -0.385 0.000 2.095 292 F HA -0.187 4.340 4.527 0.001 0.000 0.298 292 F C 2.445 178.080 175.800 -0.275 0.000 1.104 292 F CA 1.610 59.316 58.000 -0.489 0.000 1.232 292 F CB -0.198 38.188 39.000 -1.024 0.000 0.987 292 F HN -0.218 nan 8.300 nan 0.000 0.475 293 R N -0.021 120.234 120.500 -0.409 0.000 2.081 293 R HA -0.223 4.117 4.340 0.001 0.000 0.235 293 R C 2.383 178.464 176.300 -0.365 0.000 1.131 293 R CA 1.771 57.637 56.100 -0.390 0.000 0.960 293 R CB -0.547 29.733 30.300 -0.033 0.000 0.856 293 R HN 0.375 nan 8.270 nan 0.000 0.436 294 Q N 0.321 119.971 119.800 -0.251 0.000 2.124 294 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 294 Q C 1.807 177.668 176.000 -0.231 0.000 0.977 294 Q CA 2.146 57.827 55.803 -0.202 0.000 0.850 294 Q CB -0.308 28.352 28.738 -0.129 0.000 0.901 294 Q HN 0.458 nan 8.270 nan 0.000 0.429 295 A N -0.700 121.953 122.820 -0.278 0.000 1.902 295 A HA -0.191 4.130 4.320 0.001 0.000 0.217 295 A C 2.443 179.844 177.584 -0.306 0.000 1.181 295 A CA 1.460 53.347 52.037 -0.251 0.000 0.623 295 A CB -1.130 17.734 19.000 -0.227 0.000 0.818 295 A HN 0.587 nan 8.150 nan 0.000 0.443 296 C N -0.588 118.422 119.300 -0.484 0.000 2.413 296 C HA -0.093 4.368 4.460 0.001 0.000 0.276 296 C C 2.639 177.467 174.990 -0.270 0.000 1.236 296 C CA 1.059 59.821 59.018 -0.426 0.000 1.735 296 C CB -1.522 25.862 27.740 -0.593 0.000 2.031 296 C HN 0.629 nan 8.230 nan 0.000 0.474 297 L N 0.702 121.772 121.223 -0.256 0.000 2.079 297 L HA -0.181 4.159 4.340 0.001 0.000 0.210 297 L C 2.270 179.058 176.870 -0.138 0.000 1.081 297 L CA 1.531 56.264 54.840 -0.178 0.000 0.752 297 L CB -0.874 41.078 42.059 -0.178 0.000 0.896 297 L HN 0.375 nan 8.230 nan 0.000 0.433 298 D N -0.064 120.250 120.400 -0.143 0.000 2.097 298 D HA -0.149 4.491 4.640 0.001 0.000 0.195 298 D C 1.991 178.234 176.300 -0.095 0.000 0.989 298 D CA 0.990 54.926 54.000 -0.106 0.000 0.827 298 D CB -0.341 40.398 40.800 -0.102 0.000 0.966 298 D HN 0.279 nan 8.370 nan 0.000 0.456 299 N N 0.658 119.287 118.700 -0.118 0.000 2.069 299 N HA -0.105 4.635 4.740 0.001 0.000 0.191 299 N C 2.161 177.626 175.510 -0.074 0.000 1.031 299 N CA 0.557 53.548 53.050 -0.100 0.000 0.852 299 N CB -0.514 37.897 38.487 -0.126 0.000 1.018 299 N HN 0.240 nan 8.380 nan 0.000 0.423 300 L N 0.314 121.487 121.223 -0.084 0.000 2.083 300 L HA -0.105 4.236 4.340 0.001 0.000 0.209 300 L C 2.561 179.413 176.870 -0.031 0.000 1.083 300 L CA 0.915 55.724 54.840 -0.052 0.000 0.752 300 L CB -0.451 41.571 42.059 -0.061 0.000 0.899 300 L HN 0.153 nan 8.230 nan 0.000 0.433 301 S N -0.089 115.585 115.700 -0.042 0.000 2.355 301 S HA -0.206 4.264 4.470 0.001 0.000 0.222 301 S C 2.226 176.815 174.600 -0.017 0.000 1.031 301 S CA 1.198 59.382 58.200 -0.027 0.000 0.993 301 S CB -0.117 63.060 63.200 -0.039 0.000 0.859 301 S HN 0.340 nan 8.310 nan 0.000 0.453 302 R N 0.458 120.943 120.500 -0.025 0.000 2.081 302 R HA 0.027 4.368 4.340 0.001 0.000 0.235 302 R C 2.036 178.334 176.300 -0.002 0.000 1.131 302 R CA 1.411 57.502 56.100 -0.015 0.000 0.960 302 R CB -0.555 29.731 30.300 -0.024 0.000 0.856 302 R HN 0.447 nan 8.270 nan 0.000 0.436 303 A N 0.257 123.074 122.820 -0.005 0.000 2.238 303 A HA 0.011 4.332 4.320 0.001 0.000 0.208 303 A C 0.239 177.824 177.584 0.002 0.000 1.177 303 A CA 0.267 52.306 52.037 0.004 0.000 0.804 303 A CB -0.013 18.986 19.000 -0.000 0.000 0.823 303 A HN 0.562 nan 8.150 nan 0.000 0.482 304 Q N -2.164 117.644 119.800 0.013 0.000 2.451 304 Q HA -0.298 4.042 4.340 0.001 0.000 0.305 304 Q C 1.160 177.202 176.000 0.070 0.000 1.345 304 Q CA 0.163 55.988 55.803 0.036 0.000 0.854 304 Q CB -2.059 26.703 28.738 0.039 0.000 1.162 304 Q HN 0.826 nan 8.270 nan 0.000 0.440 305 A N 0.391 123.246 122.820 0.058 0.000 1.883 305 A HA -0.187 4.134 4.320 0.001 0.000 0.217 305 A C 1.774 179.441 177.584 0.139 0.000 1.186 305 A CA 1.702 53.798 52.037 0.099 0.000 0.624 305 A CB -0.227 18.805 19.000 0.054 0.000 0.822 305 A HN 0.469 nan 8.150 nan 0.000 0.444 306 L N 0.359 121.634 121.223 0.087 0.000 2.083 306 L HA -0.146 4.195 4.340 0.001 0.000 0.209 306 L C 1.885 178.803 176.870 0.080 0.000 1.083 306 L CA 2.748 57.633 54.840 0.075 0.000 0.752 306 L CB -0.760 41.336 42.059 0.062 0.000 0.899 306 L HN 0.531 nan 8.230 nan 0.000 0.433 307 D N -1.465 118.991 120.400 0.093 0.000 2.144 307 D HA -0.213 4.427 4.640 0.001 0.000 0.199 307 D C 1.096 177.467 176.300 0.119 0.000 0.984 307 D CA 0.506 54.556 54.000 0.083 0.000 0.834 307 D CB -0.102 40.746 40.800 0.081 0.000 0.955 307 D HN 0.238 nan 8.370 nan 0.000 0.465 311 D N 1.342 121.648 120.400 -0.157 0.000 2.123 311 D HA -0.132 4.508 4.640 0.001 0.000 0.196 311 D C 1.860 178.024 176.300 -0.227 0.000 0.992 311 D CA 2.225 56.130 54.000 -0.159 0.000 0.833 311 D CB -0.207 40.531 40.800 -0.103 0.000 0.954 311 D HN 0.308 nan 8.370 nan 0.000 0.455 312 T N 1.217 115.550 114.554 -0.370 0.000 2.708 312 T HA -0.091 4.259 4.350 0.001 0.000 0.266 312 T C 2.281 176.782 174.700 -0.331 0.000 1.037 312 T CA 0.587 62.439 62.100 -0.414 0.000 1.146 312 T CB -0.366 68.186 68.868 -0.527 0.000 0.865 312 T HN 0.104 nan 8.240 nan 0.000 0.435 313 L N 0.534 121.660 121.223 -0.162 0.000 2.012 313 L HA -0.168 4.173 4.340 0.001 0.000 0.210 313 L C 2.700 179.576 176.870 0.009 0.000 1.073 313 L CA 1.556 56.384 54.840 -0.020 0.000 0.748 313 L CB -0.478 41.536 42.059 -0.076 0.000 0.891 313 L HN 0.224 nan 8.230 nan 0.000 0.431 314 K N -0.221 120.117 120.400 -0.103 0.000 2.032 314 K HA -0.201 4.119 4.320 0.001 0.000 0.209 314 K C 1.780 178.400 176.600 0.033 0.000 1.048 314 K CA 1.795 58.068 56.287 -0.023 0.000 0.927 314 K CB -0.313 32.129 32.500 -0.098 0.000 0.712 314 K HN 0.280 nan 8.250 nan 0.000 0.441 315 D N 0.508 120.871 120.400 -0.061 0.000 2.104 315 D HA -0.138 4.503 4.640 0.001 0.000 0.194 315 D C 2.007 178.231 176.300 -0.126 0.000 0.994 315 D CA 0.980 54.955 54.000 -0.042 0.000 0.830 315 D CB -0.423 40.376 40.800 -0.001 0.000 0.959 315 D HN -0.063 nan 8.370 nan 0.000 0.452 316 V N 1.359 121.025 119.914 -0.414 0.000 2.332 316 V HA -0.253 3.868 4.120 0.001 0.000 0.248 316 V C 2.514 178.481 176.094 -0.211 0.000 1.055 316 V CA 1.875 63.856 62.300 -0.531 0.000 1.038 316 V CB -0.895 30.506 31.823 -0.703 0.000 0.651 316 V HN 0.205 nan 8.190 nan 0.000 0.450 317 A N -0.408 122.489 122.820 0.129 0.000 1.902 317 A HA -0.297 4.024 4.320 0.001 0.000 0.217 317 A C 2.192 179.858 177.584 0.137 0.000 1.181 317 A CA 2.205 54.417 52.037 0.292 0.000 0.623 317 A CB -0.521 18.827 19.000 0.580 0.000 0.818 317 A HN 0.549 nan 8.150 nan 0.000 0.443 318 Q N -0.279 119.582 119.800 0.101 0.000 2.123 318 Q HA -0.039 4.301 4.340 0.001 0.000 0.199 318 Q C 2.066 178.074 176.000 0.013 0.000 0.966 318 Q CA 1.680 57.524 55.803 0.069 0.000 0.845 318 Q CB -0.228 28.555 28.738 0.074 0.000 0.907 318 Q HN 0.624 nan 8.270 nan 0.000 0.439 319 R N -0.404 120.081 120.500 -0.025 0.000 2.148 319 R HA -0.009 4.331 4.340 0.001 0.000 0.223 319 R C 2.274 178.502 176.300 -0.120 0.000 1.088 319 R CA 1.037 57.106 56.100 -0.051 0.000 0.985 319 R CB -0.110 30.184 30.300 -0.010 0.000 0.880 319 R HN 0.411 nan 8.270 nan 0.000 0.451 320 S N -0.884 114.688 115.700 -0.213 0.000 2.469 320 S HA -0.111 4.359 4.470 0.001 0.000 0.238 320 S C 1.661 176.213 174.600 -0.080 0.000 0.998 320 S CA 1.401 59.427 58.200 -0.291 0.000 0.957 320 S CB -0.064 62.871 63.200 -0.441 0.000 0.764 320 S HN 0.096 nan 8.310 nan 0.000 0.514 321 T N 1.337 115.875 114.554 -0.027 0.000 3.235 321 T HA 0.457 4.807 4.350 0.001 0.000 0.251 321 T C 0.015 174.716 174.700 0.001 0.000 1.060 321 T CA -0.094 62.016 62.100 0.016 0.000 0.949 321 T CB -0.438 68.451 68.868 0.035 0.000 1.020 321 T HN 0.263 nan 8.240 nan 0.000 0.564 322 V N 0.000 119.902 119.914 -0.019 0.000 2.409 322 V HA 0.000 4.121 4.120 0.001 0.000 0.244 322 V CA 0.000 62.288 62.300 -0.019 0.000 1.235 322 V CB 0.000 31.808 31.823 -0.024 0.000 1.184 322 V HN 0.000 nan 8.190 nan 0.000 0.556