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 2zyq_1_A DATA FIRST_RESID 2 DATA SEQUENCE SIRSLGYLRI EATDMAAWRE YGLKVLGMVE GKGAPEGALY LRMDDFPARL DATA SEQUENCE VVVPGEHDRL LEAGWECANA EGLQEIRNRL DLEGTPYKEA TAAELADRRV DATA SEQUENCE DEMIRFADPS GNCLEVFHGT ALEHRRVVSP YGHRFVTGEQ GMGHVVLSTR DATA SEQUENCE DDAEALHFYR DVLGFRLRDS MRLPPQMVGR PADGPPAWLR FFGCNPRHHS DATA SEQUENCE LAFLPMPTSS GIVHLMVEVE QADDVGLCLD RALRRKVPMS ATLGRHVNDL DATA SEQUENCE MLSFYMKTPG GFDIEFGCEG RQVDDRDWIA RESTAVSLWG HDFTVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.482 174.600 -0.197 0.000 1.055 2 S CA 0.000 58.108 58.200 -0.153 0.000 1.107 2 S CB 0.000 63.129 63.200 -0.119 0.000 0.593 3 I N 1.889 122.302 120.570 -0.261 0.000 2.648 3 I HA 0.389 4.559 4.170 0.000 0.000 0.284 3 I C 1.021 176.995 176.117 -0.238 0.000 1.153 3 I CA 0.386 61.539 61.300 -0.245 0.000 1.426 3 I CB 0.563 38.406 38.000 -0.262 0.000 1.381 3 I HN 0.615 nan 8.210 nan 0.000 0.571 4 R N 4.227 124.648 120.500 -0.131 0.000 2.221 4 R HA 0.286 4.626 4.340 0.000 0.000 0.195 4 R C 0.214 176.502 176.300 -0.020 0.000 0.956 4 R CA 0.790 56.838 56.100 -0.087 0.000 1.064 4 R CB -0.586 29.678 30.300 -0.060 0.000 1.049 4 R HN 0.882 nan 8.270 nan 0.000 0.534 5 S N -0.503 115.226 115.700 0.049 0.000 2.595 5 S HA 0.249 4.719 4.470 0.000 0.000 0.270 5 S C -1.179 173.526 174.600 0.175 0.000 1.145 5 S CA -1.008 57.261 58.200 0.116 0.000 0.825 5 S CB 1.000 64.207 63.200 0.011 0.000 1.107 5 S HN 0.014 nan 8.310 nan 0.000 0.461 6 L N 2.934 124.193 121.223 0.060 0.000 2.562 6 L HA 0.529 4.869 4.340 0.000 0.000 0.271 6 L C 1.201 177.830 176.870 -0.401 0.000 1.167 6 L CA 1.482 56.030 54.840 -0.486 0.000 0.917 6 L CB 0.196 41.938 42.059 -0.529 0.000 1.187 6 L HN 1.033 nan 8.230 nan 0.000 0.482 7 G N 4.874 113.424 108.800 -0.416 0.000 2.497 7 G HA2 0.066 4.026 3.960 0.000 0.000 0.210 7 G HA3 0.066 4.026 3.960 0.000 0.000 0.210 7 G C -0.260 174.541 174.900 -0.165 0.000 1.177 7 G CA 0.845 45.857 45.100 -0.146 0.000 0.822 7 G HN 0.696 nan 8.290 nan 0.000 0.550 8 Y N -2.701 117.501 120.300 -0.163 0.000 2.689 8 Y HA 0.741 5.292 4.550 0.000 0.000 0.333 8 Y C -1.587 174.168 175.900 -0.243 0.000 1.208 8 Y CA -1.687 56.301 58.100 -0.187 0.000 1.055 8 Y CB 1.148 39.546 38.460 -0.104 0.000 1.304 8 Y HN -0.040 nan 8.280 nan 0.000 0.455 9 L N 2.608 123.871 121.223 0.067 0.000 2.410 9 L HA 0.616 4.957 4.340 0.000 0.000 0.270 9 L C -1.012 175.883 176.870 0.042 0.000 0.983 9 L CA -0.922 53.907 54.840 -0.019 0.000 0.822 9 L CB 2.359 44.346 42.059 -0.119 0.000 1.285 9 L HN 0.756 nan 8.230 nan 0.000 0.409 10 R N 4.778 125.309 120.500 0.051 0.000 2.387 10 R HA 0.674 5.014 4.340 0.000 0.000 0.314 10 R C -0.761 175.517 176.300 -0.037 0.000 0.958 10 R CA -0.530 55.568 56.100 -0.003 0.000 0.846 10 R CB 1.977 32.291 30.300 0.024 0.000 1.147 10 R HN 0.555 nan 8.270 nan 0.000 0.447 11 I N -2.131 118.397 120.570 -0.070 0.000 2.785 11 I HA 0.548 4.718 4.170 0.000 0.000 0.302 11 I C -0.630 175.464 176.117 -0.038 0.000 1.069 11 I CA -1.030 60.238 61.300 -0.053 0.000 1.045 11 I CB 2.465 40.432 38.000 -0.055 0.000 1.236 11 I HN 0.508 nan 8.210 nan 0.000 0.429 12 E N 2.925 123.142 120.200 0.028 0.000 2.242 12 E HA 0.766 5.116 4.350 0.000 0.000 0.275 12 E C -1.189 175.477 176.600 0.109 0.000 1.002 12 E CA -0.903 55.532 56.400 0.058 0.000 0.841 12 E CB 1.835 31.592 29.700 0.095 0.000 1.109 12 E HN 0.877 nan 8.360 nan 0.000 0.394 13 A N 1.609 124.496 122.820 0.112 0.000 2.515 13 A HA 0.358 4.678 4.320 0.000 0.000 0.298 13 A C 0.199 177.880 177.584 0.162 0.000 1.059 13 A CA -0.352 51.807 52.037 0.202 0.000 0.698 13 A CB 1.475 20.630 19.000 0.259 0.000 1.289 13 A HN 0.704 nan 8.150 nan 0.000 0.404 14 T N -2.261 112.389 114.554 0.160 0.000 3.057 14 T HA 0.172 4.522 4.350 0.000 0.000 0.254 14 T C 0.006 174.761 174.700 0.092 0.000 1.094 14 T CA 1.210 63.365 62.100 0.092 0.000 1.088 14 T CB 0.008 68.907 68.868 0.052 0.000 0.934 14 T HN 0.507 nan 8.240 nan 0.000 0.497 15 D N 0.389 120.875 120.400 0.144 0.000 2.363 15 D HA 0.322 4.962 4.640 0.000 0.000 0.258 15 D C 0.878 177.295 176.300 0.196 0.000 1.259 15 D CA -0.503 53.566 54.000 0.115 0.000 0.921 15 D CB 0.891 41.714 40.800 0.040 0.000 1.201 15 D HN -0.116 nan 8.370 nan 0.000 0.524 16 M N 1.200 120.900 119.600 0.167 0.000 2.229 16 M HA 0.014 4.494 4.480 0.000 0.000 0.264 16 M C 1.975 178.381 176.300 0.176 0.000 1.063 16 M CA 0.756 56.168 55.300 0.186 0.000 1.114 16 M CB -1.061 31.603 32.600 0.106 0.000 1.387 16 M HN 0.443 nan 8.290 nan 0.000 0.420 17 A N 0.381 123.270 122.820 0.114 0.000 1.902 17 A HA 0.003 4.324 4.320 0.000 0.000 0.217 17 A C 2.455 180.099 177.584 0.101 0.000 1.181 17 A CA 2.090 54.182 52.037 0.093 0.000 0.623 17 A CB -0.888 18.145 19.000 0.056 0.000 0.818 17 A HN 0.456 nan 8.150 nan 0.000 0.443 18 A N -1.540 121.320 122.820 0.067 0.000 1.902 18 A HA -0.170 4.150 4.320 0.000 0.000 0.217 18 A C 2.021 179.621 177.584 0.027 0.000 1.181 18 A CA 1.343 53.376 52.037 -0.007 0.000 0.623 18 A CB -0.944 17.985 19.000 -0.118 0.000 0.818 18 A HN 0.747 nan 8.150 nan 0.000 0.443 19 W N -0.304 121.029 121.300 0.055 0.000 2.358 19 W HA -0.146 4.514 4.660 0.000 0.000 0.303 19 W C 2.666 179.273 176.519 0.146 0.000 1.208 19 W CA 1.712 59.118 57.345 0.101 0.000 1.274 19 W CB -0.044 29.461 29.460 0.076 0.000 1.138 19 W HN 0.325 nan 8.180 nan 0.000 0.515 20 R N 0.639 121.350 120.500 0.352 0.000 2.070 20 R HA -0.182 4.158 4.340 0.000 0.000 0.233 20 R C 2.103 178.530 176.300 0.212 0.000 1.137 20 R CA 1.765 58.012 56.100 0.244 0.000 0.945 20 R CB -0.479 29.915 30.300 0.158 0.000 0.845 20 R HN 0.029 nan 8.270 nan 0.000 0.430 21 E N -0.307 119.996 120.200 0.171 0.000 2.085 21 E HA -0.247 4.103 4.350 0.000 0.000 0.194 21 E C 1.736 178.433 176.600 0.162 0.000 0.994 21 E CA 1.365 57.847 56.400 0.137 0.000 0.801 21 E CB -0.352 29.405 29.700 0.096 0.000 0.743 21 E HN 0.439 nan 8.360 nan 0.000 0.453 22 Y N 0.841 121.170 120.300 0.047 0.000 2.133 22 Y HA -0.109 4.442 4.550 0.000 0.000 0.287 22 Y C 2.388 178.365 175.900 0.128 0.000 1.134 22 Y CA 2.021 60.130 58.100 0.014 0.000 1.133 22 Y CB -0.682 37.689 38.460 -0.148 0.000 0.987 22 Y HN 0.014 nan 8.280 nan 0.000 0.502 23 G N 0.250 109.240 108.800 0.317 0.000 2.442 23 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 23 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 23 G C 1.376 176.388 174.900 0.186 0.000 1.141 23 G CA 1.244 46.502 45.100 0.264 0.000 0.763 23 G HN 0.349 nan 8.290 nan 0.000 0.554 24 L N -0.077 121.254 121.223 0.180 0.000 2.127 24 L HA 0.203 4.543 4.340 0.000 0.000 0.203 24 L C 2.479 179.491 176.870 0.236 0.000 1.080 24 L CA 1.324 56.275 54.840 0.186 0.000 0.768 24 L CB -0.434 41.714 42.059 0.148 0.000 0.924 24 L HN 0.063 nan 8.230 nan 0.000 0.444 25 K N -1.328 119.164 120.400 0.154 0.000 2.348 25 K HA 0.228 4.548 4.320 0.000 0.000 0.194 25 K C 1.868 178.416 176.600 -0.085 0.000 1.052 25 K CA 0.440 56.816 56.287 0.150 0.000 1.004 25 K CB 0.443 33.000 32.500 0.095 0.000 0.873 25 K HN 0.117 nan 8.250 nan 0.000 0.523 26 V N 1.005 120.811 119.914 -0.179 0.000 2.602 26 V HA 0.016 4.136 4.120 0.000 0.000 0.235 26 V C 2.191 178.067 176.094 -0.363 0.000 1.087 26 V CA 0.586 62.665 62.300 -0.368 0.000 1.117 26 V CB -0.349 31.159 31.823 -0.525 0.000 0.820 26 V HN 0.018 nan 8.190 nan 0.000 0.490 27 L N 1.059 122.108 121.223 -0.291 0.000 2.201 27 L HA 0.126 4.466 4.340 0.000 0.000 0.212 27 L C 1.808 178.939 176.870 0.435 0.000 1.105 27 L CA 1.226 56.092 54.840 0.043 0.000 0.775 27 L CB -0.960 41.193 42.059 0.157 0.000 0.913 27 L HN 0.659 nan 8.230 nan 0.000 0.440 28 G N 0.492 109.541 108.800 0.415 0.000 2.249 28 G HA2 -0.310 3.650 3.960 0.000 0.000 0.273 28 G HA3 -0.310 3.650 3.960 0.000 0.000 0.273 28 G C 0.243 175.471 174.900 0.546 0.000 1.036 28 G CA 0.187 45.654 45.100 0.611 0.000 0.824 28 G HN 0.238 nan 8.290 nan 0.000 0.504 29 M N -0.991 118.898 119.600 0.482 0.000 2.163 29 M HA 0.510 4.991 4.480 0.000 0.000 0.305 29 M C 0.670 177.111 176.300 0.235 0.000 1.166 29 M CA -0.323 55.206 55.300 0.381 0.000 1.132 29 M CB 1.163 33.904 32.600 0.236 0.000 1.413 29 M HN -0.067 nan 8.290 nan 0.000 0.478 30 V N 0.481 120.503 119.914 0.179 0.000 2.581 30 V HA 0.218 4.338 4.120 0.000 0.000 0.303 30 V C -0.209 175.950 176.094 0.108 0.000 1.041 30 V CA -0.806 61.567 62.300 0.121 0.000 0.907 30 V CB 1.698 33.580 31.823 0.097 0.000 0.994 30 V HN 0.768 nan 8.190 nan 0.000 0.442 31 E N 2.303 122.559 120.200 0.093 0.000 2.344 31 E HA 0.407 4.758 4.350 0.000 0.000 0.270 31 E C 0.368 177.021 176.600 0.089 0.000 1.021 31 E CA -0.100 56.355 56.400 0.092 0.000 0.887 31 E CB 1.038 30.779 29.700 0.069 0.000 0.997 31 E HN 0.872 nan 8.360 nan 0.000 0.429 32 G N 3.417 112.296 108.800 0.132 0.000 2.504 32 G HA2 0.248 4.208 3.960 0.000 0.000 0.288 32 G HA3 0.248 4.208 3.960 0.000 0.000 0.288 32 G C -0.765 174.209 174.900 0.123 0.000 1.182 32 G CA -0.598 44.598 45.100 0.160 0.000 0.894 32 G HN 0.604 nan 8.290 nan 0.000 0.521 33 K N -0.980 119.485 120.400 0.109 0.000 2.166 33 K HA 0.702 5.022 4.320 0.000 0.000 0.245 33 K C 0.668 177.304 176.600 0.061 0.000 0.967 33 K CA -0.294 56.017 56.287 0.039 0.000 0.863 33 K CB 1.819 34.331 32.500 0.020 0.000 1.107 33 K HN 1.365 nan 8.250 nan 0.000 0.436 34 G N -0.357 108.426 108.800 -0.029 0.000 2.176 34 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 34 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 34 G C 0.204 175.034 174.900 -0.116 0.000 0.986 34 G CA -0.125 44.965 45.100 -0.016 0.000 0.643 34 G HN 0.966 nan 8.290 nan 0.000 0.522 35 A N 0.885 123.445 122.820 -0.434 0.000 2.445 35 A HA 0.684 5.004 4.320 0.000 0.000 0.242 35 A C -0.233 177.161 177.584 -0.317 0.000 1.075 35 A CA -0.003 51.590 52.037 -0.740 0.000 0.777 35 A CB -0.383 17.846 19.000 -1.286 0.000 1.013 35 A HN 0.330 nan 8.150 nan 0.000 0.493 36 P HA -0.209 nan 4.420 nan 0.000 0.295 36 P C 0.096 177.334 177.300 -0.104 0.000 1.870 36 P CA 1.537 64.567 63.100 -0.117 0.000 1.617 36 P CB 0.005 31.649 31.700 -0.093 0.000 0.484 37 E N -2.501 117.659 120.200 -0.067 0.000 2.328 37 E HA -0.216 4.134 4.350 0.000 0.000 0.233 37 E C 0.819 177.388 176.600 -0.053 0.000 1.219 37 E CA 0.559 56.930 56.400 -0.049 0.000 0.717 37 E CB -2.576 27.105 29.700 -0.032 0.000 1.210 37 E HN 0.907 nan 8.360 nan 0.000 0.381 38 G N -1.453 107.310 108.800 -0.062 0.000 2.203 38 G HA2 -0.219 3.741 3.960 0.000 0.000 0.263 38 G HA3 -0.219 3.741 3.960 0.000 0.000 0.263 38 G C 0.431 175.298 174.900 -0.056 0.000 1.012 38 G CA 0.367 45.438 45.100 -0.049 0.000 0.749 38 G HN 1.314 nan 8.290 nan 0.000 0.512 39 A N -1.062 121.697 122.820 -0.102 0.000 2.271 39 A HA 0.873 5.193 4.320 0.000 0.000 0.288 39 A C -0.084 177.402 177.584 -0.163 0.000 1.094 39 A CA -0.088 51.881 52.037 -0.113 0.000 0.828 39 A CB 1.288 20.216 19.000 -0.121 0.000 1.091 39 A HN 1.528 nan 8.150 nan 0.000 0.493 40 L N 0.592 121.759 121.223 -0.094 0.000 2.356 40 L HA 0.624 4.964 4.340 0.000 0.000 0.277 40 L C -1.916 175.020 176.870 0.110 0.000 0.996 40 L CA -0.303 54.512 54.840 -0.043 0.000 0.822 40 L CB 1.365 43.439 42.059 0.025 0.000 1.256 40 L HN 0.553 nan 8.230 nan 0.000 0.413 41 Y N 5.846 126.125 120.300 -0.034 0.000 2.342 41 Y HA 0.562 5.112 4.550 0.000 0.000 0.338 41 Y C -0.593 175.299 175.900 -0.014 0.000 0.965 41 Y CA -1.267 56.807 58.100 -0.045 0.000 1.159 41 Y CB 1.510 39.939 38.460 -0.050 0.000 1.157 41 Y HN 0.363 nan 8.280 nan 0.000 0.486 42 L N 5.092 126.394 121.223 0.132 0.000 2.296 42 L HA 0.531 4.871 4.340 0.000 0.000 0.286 42 L C -0.026 176.867 176.870 0.038 0.000 1.023 42 L CA -0.957 53.938 54.840 0.091 0.000 0.812 42 L CB 1.174 43.286 42.059 0.087 0.000 1.223 42 L HN 0.545 nan 8.230 nan 0.000 0.421 43 R N 4.140 124.672 120.500 0.053 0.000 2.664 43 R HA 0.568 4.908 4.340 0.000 0.000 0.286 43 R C 0.153 176.463 176.300 0.017 0.000 0.967 43 R CA -0.471 55.647 56.100 0.030 0.000 0.933 43 R CB 1.901 32.237 30.300 0.060 0.000 1.146 43 R HN 0.604 nan 8.270 nan 0.000 0.468 44 M N 0.122 119.699 119.600 -0.037 0.000 2.279 44 M HA 0.145 4.625 4.480 0.000 0.000 0.299 44 M C -0.566 175.823 176.300 0.147 0.000 0.970 44 M CA 0.099 55.368 55.300 -0.051 0.000 1.065 44 M CB 0.586 32.863 32.600 -0.539 0.000 1.669 44 M HN 0.636 nan 8.290 nan 0.000 0.582 45 D N -1.874 118.587 120.400 0.101 0.000 3.376 45 D HA 0.096 4.736 4.640 0.000 0.000 0.344 45 D C -0.305 176.065 176.300 0.117 0.000 1.428 45 D CA -0.480 53.593 54.000 0.122 0.000 0.949 45 D CB -0.139 40.728 40.800 0.113 0.000 1.451 45 D HN -0.287 nan 8.370 nan 0.000 0.578 46 D N -1.118 119.359 120.400 0.128 0.000 2.265 46 D HA -0.008 4.632 4.640 0.000 0.000 0.208 46 D C 0.231 176.573 176.300 0.071 0.000 0.977 46 D CA 0.665 54.714 54.000 0.082 0.000 0.871 46 D CB -0.356 40.505 40.800 0.101 0.000 0.925 46 D HN 0.128 nan 8.370 nan 0.000 0.485 47 F N 0.241 120.164 119.950 -0.046 0.000 2.607 47 F HA 0.036 4.564 4.527 0.000 0.000 0.374 47 F C -1.111 174.620 175.800 -0.115 0.000 1.104 47 F CA -1.770 56.188 58.000 -0.069 0.000 1.296 47 F CB 0.532 39.505 39.000 -0.046 0.000 1.085 47 F HN -0.105 nan 8.300 nan 0.000 0.584 48 P HA -0.084 nan 4.420 nan 0.000 0.217 48 P C -0.824 176.374 177.300 -0.170 0.000 1.148 48 P CA 1.713 64.710 63.100 -0.172 0.000 0.828 48 P CB 0.281 31.814 31.700 -0.279 0.000 0.783 49 A N -2.470 120.252 122.820 -0.163 0.000 2.577 49 A HA 0.534 4.854 4.320 0.000 0.000 0.297 49 A C 0.424 177.990 177.584 -0.030 0.000 1.060 49 A CA -0.615 51.316 52.037 -0.177 0.000 0.697 49 A CB 1.129 19.808 19.000 -0.534 0.000 1.281 49 A HN -0.287 nan 8.150 nan 0.000 0.402 50 R N 0.637 121.114 120.500 -0.040 0.000 2.121 50 R HA 0.287 4.627 4.340 0.000 0.000 0.206 50 R C 0.095 176.358 176.300 -0.061 0.000 1.094 50 R CA 0.528 56.592 56.100 -0.060 0.000 1.055 50 R CB -0.097 30.108 30.300 -0.158 0.000 0.964 50 R HN 0.600 nan 8.270 nan 0.000 0.473 51 L N 2.355 123.535 121.223 -0.072 0.000 2.294 51 L HA 0.385 4.725 4.340 0.000 0.000 0.283 51 L C -1.155 175.673 176.870 -0.069 0.000 1.015 51 L CA -0.560 54.237 54.840 -0.073 0.000 0.831 51 L CB 1.635 43.659 42.059 -0.058 0.000 1.217 51 L HN -0.204 nan 8.230 nan 0.000 0.420 52 V N 5.770 125.633 119.914 -0.085 0.000 2.370 52 V HA 0.345 4.465 4.120 0.000 0.000 0.283 52 V C -0.037 176.001 176.094 -0.093 0.000 1.023 52 V CA -0.571 61.709 62.300 -0.032 0.000 0.857 52 V CB 1.763 33.539 31.823 -0.079 0.000 0.985 52 V HN 0.437 nan 8.190 nan 0.000 0.443 53 V N 6.142 125.994 119.914 -0.103 0.000 2.357 53 V HA 0.497 4.617 4.120 0.000 0.000 0.284 53 V C -0.045 175.996 176.094 -0.088 0.000 1.018 53 V CA -0.630 61.544 62.300 -0.210 0.000 0.841 53 V CB 1.721 33.296 31.823 -0.414 0.000 0.991 53 V HN 0.735 nan 8.190 nan 0.000 0.437 54 V N 4.167 124.045 119.914 -0.059 0.000 2.547 54 V HA 0.769 4.889 4.120 0.000 0.000 0.299 54 V C -2.467 173.630 176.094 0.004 0.000 1.040 54 V CA -2.538 59.751 62.300 -0.018 0.000 0.913 54 V CB 1.825 33.646 31.823 -0.002 0.000 0.992 54 V HN 0.667 nan 8.190 nan 0.000 0.449 55 P HA 0.589 nan 4.420 nan 0.000 0.275 55 P C 0.038 177.363 177.300 0.042 0.000 1.227 55 P CA 0.528 63.649 63.100 0.035 0.000 0.781 55 P CB 1.432 33.148 31.700 0.026 0.000 0.906 56 G N 1.341 110.175 108.800 0.057 0.000 2.548 56 G HA2 0.180 4.140 3.960 0.000 0.000 0.301 56 G HA3 0.180 4.140 3.960 0.000 0.000 0.301 56 G C -0.228 174.704 174.900 0.053 0.000 1.349 56 G CA -0.439 44.701 45.100 0.067 0.000 0.792 56 G HN 0.347 nan 8.290 nan 0.000 0.481 57 E N -0.749 119.480 120.200 0.048 0.000 2.447 57 E HA 0.102 4.452 4.350 0.000 0.000 0.195 57 E C 0.019 176.458 176.600 -0.268 0.000 1.028 57 E CA 0.243 56.590 56.400 -0.088 0.000 0.876 57 E CB 0.164 29.801 29.700 -0.105 0.000 0.885 57 E HN 0.402 nan 8.360 nan 0.000 0.500 58 H N -0.236 118.869 119.070 0.058 0.000 2.710 58 H HA 0.267 4.823 4.556 0.000 0.000 0.361 58 H C -0.692 174.697 175.328 0.100 0.000 1.175 58 H CA -0.612 55.478 56.048 0.071 0.000 1.206 58 H CB 1.505 31.304 29.762 0.062 0.000 1.750 58 H HN -0.051 nan 8.280 nan 0.000 0.553 59 D N 2.313 122.862 120.400 0.248 0.000 2.472 59 D HA 0.214 4.854 4.640 0.000 0.000 0.234 59 D C 0.098 176.556 176.300 0.264 0.000 1.088 59 D CA -0.339 53.817 54.000 0.260 0.000 0.882 59 D CB 1.420 42.365 40.800 0.243 0.000 1.037 59 D HN 0.511 nan 8.370 nan 0.000 0.520 60 R N 0.241 120.875 120.500 0.223 0.000 2.663 60 R HA 0.404 4.744 4.340 0.000 0.000 0.267 60 R C -1.163 175.177 176.300 0.067 0.000 1.038 60 R CA -1.041 55.143 56.100 0.141 0.000 0.886 60 R CB 0.907 31.261 30.300 0.090 0.000 1.249 60 R HN 0.054 nan 8.270 nan 0.000 0.463 61 L N 2.526 123.743 121.223 -0.010 0.000 2.540 61 L HA 0.107 4.447 4.340 0.000 0.000 0.276 61 L C 0.049 176.909 176.870 -0.017 0.000 1.212 61 L CA 0.353 55.160 54.840 -0.057 0.000 0.893 61 L CB 0.379 42.382 42.059 -0.093 0.000 1.138 61 L HN 0.848 nan 8.230 nan 0.000 0.491 62 L N 2.685 123.901 121.223 -0.012 0.000 2.265 62 L HA 0.304 4.644 4.340 0.000 0.000 0.195 62 L C 0.222 177.099 176.870 0.011 0.000 1.083 62 L CA 0.316 55.159 54.840 0.004 0.000 0.798 62 L CB -0.034 42.032 42.059 0.011 0.000 0.989 62 L HN 0.611 nan 8.230 nan 0.000 0.472 63 E N -1.197 119.013 120.200 0.017 0.000 2.366 63 E HA 0.610 4.960 4.350 0.000 0.000 0.278 63 E C -1.308 175.295 176.600 0.005 0.000 0.923 63 E CA -0.408 56.012 56.400 0.034 0.000 0.761 63 E CB 2.260 32.009 29.700 0.082 0.000 1.231 63 E HN 0.132 nan 8.360 nan 0.000 0.443 64 A N 1.218 124.022 122.820 -0.026 0.000 2.304 64 A HA 0.774 5.094 4.320 0.000 0.000 0.323 64 A C 0.056 177.401 177.584 -0.398 0.000 1.195 64 A CA -0.265 51.634 52.037 -0.230 0.000 0.826 64 A CB 1.035 19.918 19.000 -0.195 0.000 1.184 64 A HN 0.536 nan 8.150 nan 0.000 0.496 65 G N 0.769 109.052 108.800 -0.861 0.000 2.322 65 G HA2 0.512 4.472 3.960 0.000 0.000 0.309 65 G HA3 0.512 4.472 3.960 0.000 0.000 0.309 65 G C -1.051 173.379 174.900 -0.783 0.000 1.121 65 G CA -0.406 44.087 45.100 -1.012 0.000 0.886 65 G HN 0.628 nan 8.290 nan 0.000 0.447 66 W N 1.181 122.381 121.300 -0.165 0.000 2.471 66 W HA 0.437 5.097 4.660 0.000 0.000 0.318 66 W C 0.292 176.410 176.519 -0.668 0.000 1.034 66 W CA -0.800 56.399 57.345 -0.243 0.000 1.224 66 W CB 1.751 31.164 29.460 -0.078 0.000 1.335 66 W HN 0.524 nan 8.180 nan 0.000 0.452 67 E N 2.883 122.748 120.200 -0.559 0.000 2.259 67 E HA 0.448 4.798 4.350 0.000 0.000 0.281 67 E C -0.632 175.756 176.600 -0.354 0.000 1.027 67 E CA -0.283 55.582 56.400 -0.893 0.000 0.838 67 E CB 0.712 30.166 29.700 -0.411 0.000 1.066 67 E HN 0.476 nan 8.360 nan 0.000 0.401 68 C N 2.847 121.969 119.300 -0.296 0.000 2.401 68 C HA 0.557 5.017 4.460 0.000 0.000 0.356 68 C C 1.581 176.545 174.990 -0.042 0.000 1.192 68 C CA -0.307 58.639 59.018 -0.120 0.000 2.028 68 C CB 0.946 28.638 27.740 -0.079 0.000 2.344 68 C HN 0.980 nan 8.230 nan 0.000 0.525 69 A N 1.231 124.027 122.820 -0.040 0.000 2.015 69 A HA 0.090 4.410 4.320 0.000 0.000 0.219 69 A C 0.588 178.169 177.584 -0.005 0.000 1.163 69 A CA 1.834 53.863 52.037 -0.013 0.000 0.646 69 A CB -0.553 18.428 19.000 -0.033 0.000 0.806 69 A HN 1.078 nan 8.150 nan 0.000 0.448 70 N N -5.261 113.397 118.700 -0.070 0.000 3.465 70 N HA 0.411 5.151 4.740 0.000 0.000 0.244 70 N C 0.316 175.487 175.510 -0.566 0.000 1.454 70 N CA 0.021 52.940 53.050 -0.218 0.000 0.865 70 N CB 0.236 38.639 38.487 -0.140 0.000 1.439 70 N HN 0.134 nan 8.380 nan 0.000 0.480 71 A N -0.124 122.153 122.820 -0.904 0.000 1.917 71 A HA -0.245 4.075 4.320 0.000 0.000 0.219 71 A C 1.804 179.214 177.584 -0.290 0.000 1.182 71 A CA 2.338 53.921 52.037 -0.757 0.000 0.633 71 A CB -1.130 17.645 19.000 -0.376 0.000 0.819 71 A HN 0.843 nan 8.150 nan 0.000 0.448 72 E N -0.682 119.396 120.200 -0.204 0.000 2.077 72 E HA -0.107 4.243 4.350 0.000 0.000 0.193 72 E C 2.021 178.551 176.600 -0.116 0.000 0.989 72 E CA 1.136 57.462 56.400 -0.124 0.000 0.800 72 E CB -0.475 29.168 29.700 -0.095 0.000 0.746 72 E HN 0.503 nan 8.360 nan 0.000 0.452 73 G N 1.031 109.754 108.800 -0.129 0.000 2.422 73 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 73 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 73 G C 1.474 176.313 174.900 -0.102 0.000 1.140 73 G CA 0.762 45.795 45.100 -0.111 0.000 0.775 73 G HN 0.301 nan 8.290 nan 0.000 0.545 74 L N 0.342 121.514 121.223 -0.084 0.000 2.027 74 L HA 0.039 4.379 4.340 0.000 0.000 0.206 74 L C 2.743 179.575 176.870 -0.062 0.000 1.074 74 L CA 2.294 57.117 54.840 -0.029 0.000 0.745 74 L CB -0.765 41.359 42.059 0.108 0.000 0.898 74 L HN 0.263 nan 8.230 nan 0.000 0.433 75 Q N -0.001 119.762 119.800 -0.061 0.000 2.152 75 Q HA -0.273 4.067 4.340 0.000 0.000 0.206 75 Q C 2.229 178.172 176.000 -0.095 0.000 0.985 75 Q CA 2.086 57.851 55.803 -0.063 0.000 0.863 75 Q CB -0.470 28.240 28.738 -0.047 0.000 0.904 75 Q HN 0.605 nan 8.270 nan 0.000 0.422 76 E N -0.454 119.684 120.200 -0.104 0.000 2.085 76 E HA -0.177 4.173 4.350 0.000 0.000 0.194 76 E C 1.725 178.229 176.600 -0.160 0.000 0.994 76 E CA 1.249 57.578 56.400 -0.119 0.000 0.801 76 E CB -0.042 29.589 29.700 -0.115 0.000 0.743 76 E HN 0.396 nan 8.360 nan 0.000 0.453 77 I N 1.011 121.473 120.570 -0.180 0.000 2.252 77 I HA -0.237 3.933 4.170 0.000 0.000 0.245 77 I C 2.512 178.421 176.117 -0.347 0.000 1.102 77 I CA 1.056 62.207 61.300 -0.248 0.000 1.385 77 I CB -1.130 36.749 38.000 -0.201 0.000 1.064 77 I HN 0.107 nan 8.210 nan 0.000 0.414 78 R N 0.791 121.088 120.500 -0.338 0.000 2.096 78 R HA -0.220 4.120 4.340 0.000 0.000 0.240 78 R C 2.021 178.186 176.300 -0.225 0.000 1.139 78 R CA 2.049 57.897 56.100 -0.419 0.000 0.952 78 R CB -0.580 29.595 30.300 -0.209 0.000 0.854 78 R HN 0.566 nan 8.270 nan 0.000 0.436 79 N N 0.032 118.645 118.700 -0.146 0.000 2.120 79 N HA -0.138 4.602 4.740 0.000 0.000 0.188 79 N C 1.854 177.295 175.510 -0.114 0.000 1.024 79 N CA 0.809 53.804 53.050 -0.092 0.000 0.852 79 N CB -0.077 38.363 38.487 -0.078 0.000 1.003 79 N HN 0.191 nan 8.380 nan 0.000 0.424 80 R N 0.433 120.830 120.500 -0.173 0.000 2.073 80 R HA -0.071 4.269 4.340 0.000 0.000 0.234 80 R C 1.852 178.025 176.300 -0.212 0.000 1.134 80 R CA 0.905 56.885 56.100 -0.201 0.000 0.952 80 R CB -0.317 29.826 30.300 -0.262 0.000 0.850 80 R HN 0.119 nan 8.270 nan 0.000 0.433 81 L N 1.284 122.341 121.223 -0.276 0.000 2.046 81 L HA -0.194 4.146 4.340 0.000 0.000 0.208 81 L C 1.692 178.542 176.870 -0.032 0.000 1.077 81 L CA 1.800 56.500 54.840 -0.233 0.000 0.747 81 L CB -0.812 40.977 42.059 -0.450 0.000 0.896 81 L HN 0.161 nan 8.230 nan 0.000 0.432 82 D N -1.002 119.409 120.400 0.018 0.000 2.144 82 D HA -0.173 4.467 4.640 0.000 0.000 0.200 82 D C 2.237 178.542 176.300 0.009 0.000 0.978 82 D CA 0.849 54.885 54.000 0.060 0.000 0.833 82 D CB 0.006 40.854 40.800 0.079 0.000 0.961 82 D HN 0.177 nan 8.370 nan 0.000 0.470 83 L N 1.254 122.463 121.223 -0.023 0.000 2.046 83 L HA -0.170 4.170 4.340 0.000 0.000 0.208 83 L C 2.063 178.927 176.870 -0.011 0.000 1.077 83 L CA 1.779 56.605 54.840 -0.024 0.000 0.747 83 L CB -0.368 41.664 42.059 -0.045 0.000 0.896 83 L HN -0.162 nan 8.230 nan 0.000 0.432 84 E N -0.269 119.921 120.200 -0.016 0.000 2.216 84 E HA 0.075 4.426 4.350 0.000 0.000 0.192 84 E C 1.431 178.054 176.600 0.039 0.000 0.988 84 E CA 0.896 57.309 56.400 0.022 0.000 0.834 84 E CB -0.153 29.557 29.700 0.016 0.000 0.772 84 E HN 0.501 nan 8.360 nan 0.000 0.479 85 G N -0.022 108.796 108.800 0.029 0.000 2.132 85 G HA2 -0.241 3.719 3.960 0.000 0.000 0.234 85 G HA3 -0.241 3.719 3.960 0.000 0.000 0.234 85 G C 0.134 175.061 174.900 0.044 0.000 0.989 85 G CA 0.377 45.495 45.100 0.030 0.000 0.676 85 G HN 0.280 nan 8.290 nan 0.000 0.522 86 T N 3.528 118.123 114.554 0.068 0.000 2.779 86 T HA 0.470 4.820 4.350 0.000 0.000 0.296 86 T C -1.684 173.085 174.700 0.115 0.000 0.938 86 T CA -0.368 61.788 62.100 0.094 0.000 1.119 86 T CB 1.630 70.580 68.868 0.137 0.000 0.891 86 T HN 0.273 nan 8.240 nan 0.000 0.526 87 P HA 0.213 nan 4.420 nan 0.000 0.271 87 P C -1.122 176.288 177.300 0.182 0.000 1.216 87 P CA -0.264 62.868 63.100 0.053 0.000 0.771 87 P CB 0.195 31.911 31.700 0.026 0.000 0.864 88 Y N -0.901 119.428 120.300 0.048 0.000 2.588 88 Y HA 0.719 5.270 4.550 0.000 0.000 0.343 88 Y C -0.806 175.155 175.900 0.101 0.000 1.065 88 Y CA -1.422 56.749 58.100 0.118 0.000 1.038 88 Y CB 1.713 40.212 38.460 0.064 0.000 1.297 88 Y HN 0.132 nan 8.280 nan 0.000 0.467 89 K N 1.587 122.156 120.400 0.281 0.000 2.316 89 K HA 0.315 4.635 4.320 0.000 0.000 0.251 89 K C -0.990 175.764 176.600 0.257 0.000 0.934 89 K CA -1.085 55.300 56.287 0.163 0.000 0.802 89 K CB 1.868 34.437 32.500 0.116 0.000 1.171 89 K HN 0.609 nan 8.250 nan 0.000 0.426 90 E N 1.191 121.503 120.200 0.188 0.000 2.373 90 E HA 0.121 4.471 4.350 0.000 0.000 0.267 90 E C -0.221 176.459 176.600 0.133 0.000 1.032 90 E CA -0.225 56.283 56.400 0.180 0.000 0.889 90 E CB 1.076 30.859 29.700 0.139 0.000 0.984 90 E HN 0.666 nan 8.360 nan 0.000 0.425 91 A N 2.818 125.716 122.820 0.130 0.000 2.520 91 A HA 0.151 4.471 4.320 0.000 0.000 0.235 91 A C 0.770 178.392 177.584 0.064 0.000 1.065 91 A CA 0.004 52.097 52.037 0.094 0.000 0.764 91 A CB -0.224 18.827 19.000 0.084 0.000 1.002 91 A HN 0.652 nan 8.150 nan 0.000 0.502 92 T N -0.574 114.009 114.554 0.048 0.000 2.813 92 T HA 0.456 4.806 4.350 0.000 0.000 0.297 92 T C 1.450 176.163 174.700 0.021 0.000 1.036 92 T CA -0.023 62.096 62.100 0.032 0.000 1.044 92 T CB 0.920 69.803 68.868 0.025 0.000 0.993 92 T HN 1.400 nan 8.240 nan 0.000 0.535 93 A N 1.478 124.307 122.820 0.015 0.000 1.927 93 A HA -0.010 4.310 4.320 0.000 0.000 0.220 93 A C 2.646 180.228 177.584 -0.002 0.000 1.185 93 A CA 2.337 54.377 52.037 0.006 0.000 0.639 93 A CB -1.599 17.404 19.000 0.005 0.000 0.820 93 A HN 1.292 nan 8.150 nan 0.000 0.451 94 A N -0.643 122.176 122.820 -0.000 0.000 1.929 94 A HA -0.098 4.222 4.320 0.000 0.000 0.216 94 A C 1.902 179.478 177.584 -0.014 0.000 1.176 94 A CA 1.538 53.571 52.037 -0.007 0.000 0.628 94 A CB -0.461 18.537 19.000 -0.002 0.000 0.816 94 A HN 0.637 nan 8.150 nan 0.000 0.444 95 E N 0.040 120.237 120.200 -0.006 0.000 2.077 95 E HA -0.141 4.210 4.350 0.000 0.000 0.193 95 E C 1.917 178.496 176.600 -0.034 0.000 0.989 95 E CA 1.166 57.559 56.400 -0.012 0.000 0.800 95 E CB -0.311 29.398 29.700 0.015 0.000 0.746 95 E HN 0.610 nan 8.360 nan 0.000 0.452 96 L N 0.575 121.783 121.223 -0.024 0.000 2.042 96 L HA -0.218 4.122 4.340 0.000 0.000 0.210 96 L C 2.587 179.412 176.870 -0.075 0.000 1.076 96 L CA 1.113 55.926 54.840 -0.045 0.000 0.749 96 L CB -0.523 41.519 42.059 -0.027 0.000 0.893 96 L HN 0.172 nan 8.230 nan 0.000 0.432 97 A N -0.100 122.686 122.820 -0.056 0.000 1.898 97 A HA -0.285 4.036 4.320 0.000 0.000 0.216 97 A C 1.959 179.496 177.584 -0.078 0.000 1.181 97 A CA 2.087 54.088 52.037 -0.060 0.000 0.620 97 A CB -0.667 18.311 19.000 -0.037 0.000 0.819 97 A HN 0.473 nan 8.150 nan 0.000 0.442 98 D N -1.056 119.300 120.400 -0.074 0.000 2.097 98 D HA -0.150 4.490 4.640 0.000 0.000 0.195 98 D C 2.077 178.272 176.300 -0.175 0.000 0.989 98 D CA 1.138 55.089 54.000 -0.083 0.000 0.827 98 D CB 0.067 40.831 40.800 -0.059 0.000 0.966 98 D HN 0.163 nan 8.370 nan 0.000 0.456 99 R N 0.193 120.559 120.500 -0.224 0.000 2.193 99 R HA 0.151 4.491 4.340 0.000 0.000 0.213 99 R C 0.485 176.557 176.300 -0.380 0.000 1.055 99 R CA 0.284 56.156 56.100 -0.380 0.000 0.995 99 R CB -0.490 29.602 30.300 -0.347 0.000 0.893 99 R HN 0.285 nan 8.270 nan 0.000 0.459 100 R N -0.139 120.207 120.500 -0.258 0.000 3.322 100 R HA -0.104 4.236 4.340 0.000 0.000 0.266 100 R C -0.304 175.852 176.300 -0.242 0.000 1.072 100 R CA 0.723 56.687 56.100 -0.227 0.000 0.715 100 R CB -2.389 27.766 30.300 -0.243 0.000 1.199 100 R HN 0.219 nan 8.270 nan 0.000 0.421 101 V N -4.170 115.619 119.914 -0.209 0.000 3.074 101 V HA 0.498 4.619 4.120 0.000 0.000 0.314 101 V C 0.736 176.751 176.094 -0.132 0.000 1.117 101 V CA -0.273 61.920 62.300 -0.178 0.000 1.014 101 V CB 2.351 34.050 31.823 -0.207 0.000 1.057 101 V HN 0.046 nan 8.190 nan 0.000 0.438 102 D N 0.722 121.017 120.400 -0.175 0.000 2.197 102 D HA 0.138 4.778 4.640 0.000 0.000 0.212 102 D C 0.544 176.729 176.300 -0.192 0.000 0.963 102 D CA 1.254 55.138 54.000 -0.193 0.000 0.864 102 D CB 0.456 41.118 40.800 -0.230 0.000 1.009 102 D HN 0.839 nan 8.370 nan 0.000 0.479 103 E N -0.379 119.628 120.200 -0.321 0.000 2.343 103 E HA 0.425 4.776 4.350 0.000 0.000 0.270 103 E C -0.924 175.712 176.600 0.060 0.000 0.895 103 E CA -0.862 55.497 56.400 -0.068 0.000 0.767 103 E CB 2.679 32.420 29.700 0.068 0.000 1.248 103 E HN -0.012 nan 8.360 nan 0.000 0.440 104 M N 3.028 122.710 119.600 0.137 0.000 2.414 104 M HA 0.389 4.869 4.480 0.000 0.000 0.287 104 M C -2.050 174.379 176.300 0.216 0.000 1.181 104 M CA -0.578 54.852 55.300 0.217 0.000 0.933 104 M CB 1.872 34.604 32.600 0.220 0.000 1.732 104 M HN 0.720 nan 8.290 nan 0.000 0.486 105 I N 1.220 121.945 120.570 0.259 0.000 2.648 105 I HA 0.708 4.878 4.170 0.000 0.000 0.304 105 I C -1.011 175.322 176.117 0.360 0.000 1.009 105 I CA -0.884 60.605 61.300 0.315 0.000 1.114 105 I CB 2.080 40.243 38.000 0.271 0.000 1.293 105 I HN 0.708 nan 8.210 nan 0.000 0.449 106 R N 4.677 125.407 120.500 0.384 0.000 2.561 106 R HA 0.778 5.118 4.340 0.000 0.000 0.297 106 R C -1.450 175.101 176.300 0.419 0.000 0.969 106 R CA -0.544 55.722 56.100 0.276 0.000 0.879 106 R CB 1.929 32.336 30.300 0.178 0.000 1.178 106 R HN 0.782 nan 8.270 nan 0.000 0.445 107 F N -0.790 119.259 119.950 0.166 0.000 2.877 107 F HA 0.846 5.373 4.527 0.000 0.000 0.319 107 F C -1.832 174.033 175.800 0.107 0.000 1.174 107 F CA -1.462 56.627 58.000 0.148 0.000 0.903 107 F CB 1.057 40.175 39.000 0.197 0.000 1.357 107 F HN 0.560 nan 8.300 nan 0.000 0.472 108 A N 0.805 123.756 122.820 0.217 0.000 2.435 108 A HA 0.673 4.994 4.320 0.000 0.000 0.304 108 A C -1.349 176.179 177.584 -0.093 0.000 1.064 108 A CA -0.400 51.642 52.037 0.009 0.000 0.727 108 A CB 1.041 20.034 19.000 -0.012 0.000 1.284 108 A HN 0.959 nan 8.150 nan 0.000 0.415 109 D N 1.354 121.588 120.400 -0.278 0.000 2.377 109 D HA 0.325 4.965 4.640 0.000 0.000 0.245 109 D C -2.031 173.932 176.300 -0.561 0.000 1.196 109 D CA -1.585 51.923 54.000 -0.821 0.000 0.962 109 D CB -0.050 40.437 40.800 -0.522 0.000 1.127 109 D HN 0.106 nan 8.370 nan 0.000 0.471 110 P HA -0.070 nan 4.420 nan 0.000 0.219 110 P C 0.852 178.037 177.300 -0.192 0.000 1.146 110 P CA 1.194 64.104 63.100 -0.317 0.000 0.808 110 P CB 0.167 31.714 31.700 -0.256 0.000 0.779 111 S N -2.383 113.206 115.700 -0.185 0.000 2.503 111 S HA 0.326 4.796 4.470 0.000 0.000 0.217 111 S C 1.357 175.914 174.600 -0.072 0.000 0.999 111 S CA 0.678 58.813 58.200 -0.107 0.000 0.914 111 S CB 0.106 63.250 63.200 -0.094 0.000 0.782 111 S HN 0.321 nan 8.310 nan 0.000 0.520 112 G N 2.022 110.776 108.800 -0.078 0.000 2.223 112 G HA2 -0.118 3.842 3.960 0.000 0.000 0.200 112 G HA3 -0.118 3.842 3.960 0.000 0.000 0.200 112 G C -0.661 174.218 174.900 -0.034 0.000 1.061 112 G CA -0.896 44.161 45.100 -0.071 0.000 0.790 112 G HN 0.239 nan 8.290 nan 0.000 0.498 113 N N 0.341 119.033 118.700 -0.013 0.000 2.468 113 N HA 0.247 4.987 4.740 0.000 0.000 0.265 113 N C 0.448 175.974 175.510 0.026 0.000 1.199 113 N CA 0.474 53.551 53.050 0.044 0.000 0.928 113 N CB 1.087 39.662 38.487 0.147 0.000 1.059 113 N HN 0.262 nan 8.380 nan 0.000 0.467 114 C N 3.296 122.606 119.300 0.016 0.000 2.435 114 C HA 0.461 4.921 4.460 0.000 0.000 0.375 114 C C 0.415 175.387 174.990 -0.031 0.000 1.281 114 C CA -0.734 58.269 59.018 -0.025 0.000 1.963 114 C CB -0.651 27.084 27.740 -0.008 0.000 2.490 114 C HN 0.499 nan 8.230 nan 0.000 0.557 115 L N 3.236 124.335 121.223 -0.206 0.000 2.334 115 L HA 0.527 4.867 4.340 0.000 0.000 0.276 115 L C 0.091 176.825 176.870 -0.226 0.000 1.014 115 L CA 0.100 54.804 54.840 -0.226 0.000 0.815 115 L CB 0.895 42.620 42.059 -0.556 0.000 1.268 115 L HN 0.619 nan 8.230 nan 0.000 0.428 116 E N 1.854 122.069 120.200 0.025 0.000 2.199 116 E HA 0.591 4.942 4.350 0.000 0.000 0.265 116 E C -1.431 175.330 176.600 0.269 0.000 0.882 116 E CA -0.635 55.853 56.400 0.147 0.000 0.759 116 E CB 2.639 32.472 29.700 0.222 0.000 1.148 116 E HN 0.222 nan 8.360 nan 0.000 0.412 117 V N 4.708 124.809 119.914 0.311 0.000 2.448 117 V HA 0.540 4.660 4.120 0.000 0.000 0.295 117 V C -0.635 175.635 176.094 0.292 0.000 1.025 117 V CA -0.747 61.721 62.300 0.281 0.000 0.859 117 V CB 0.358 32.357 31.823 0.292 0.000 0.988 117 V HN 0.578 nan 8.190 nan 0.000 0.431 118 F N 2.747 122.794 119.950 0.161 0.000 2.650 118 F HA 0.962 5.489 4.527 0.000 0.000 0.320 118 F C -0.666 175.237 175.800 0.172 0.000 1.091 118 F CA -0.974 57.105 58.000 0.133 0.000 0.962 118 F CB 1.754 40.825 39.000 0.117 0.000 1.363 118 F HN 0.693 nan 8.300 nan 0.000 0.482 119 H N -1.702 117.560 119.070 0.321 0.000 2.985 119 H HA 0.647 5.203 4.556 0.000 0.000 0.360 119 H C 0.139 175.638 175.328 0.284 0.000 1.221 119 H CA -1.317 54.866 56.048 0.226 0.000 1.121 119 H CB 1.629 31.439 29.762 0.080 0.000 1.854 119 H HN 1.516 nan 8.280 nan 0.000 0.551 120 G N 0.904 109.857 108.800 0.254 0.000 2.182 120 G HA2 -0.292 3.668 3.960 0.000 0.000 0.248 120 G HA3 -0.292 3.668 3.960 0.000 0.000 0.248 120 G C 0.301 175.223 174.900 0.036 0.000 1.042 120 G CA 0.281 45.456 45.100 0.126 0.000 0.775 120 G HN 0.924 nan 8.290 nan 0.000 0.501 121 T N 0.097 114.700 114.554 0.081 0.000 2.937 121 T HA 0.512 4.862 4.350 0.000 0.000 0.316 121 T C 1.215 175.819 174.700 -0.159 0.000 1.079 121 T CA 0.965 62.989 62.100 -0.126 0.000 1.131 121 T CB 0.353 69.038 68.868 -0.304 0.000 1.000 121 T HN 1.734 nan 8.240 nan 0.000 0.549 122 A N 4.704 127.398 122.820 -0.209 0.000 2.407 122 A HA 0.604 4.924 4.320 0.000 0.000 0.248 122 A C -0.118 177.297 177.584 -0.281 0.000 1.082 122 A CA -0.443 51.486 52.037 -0.181 0.000 0.785 122 A CB 0.099 19.003 19.000 -0.161 0.000 1.020 122 A HN 0.850 nan 8.150 nan 0.000 0.489 123 L N 1.144 122.227 121.223 -0.233 0.000 2.330 123 L HA 0.494 4.834 4.340 0.000 0.000 0.271 123 L C -0.010 176.534 176.870 -0.544 0.000 1.013 123 L CA -0.811 53.827 54.840 -0.338 0.000 0.816 123 L CB 1.606 43.537 42.059 -0.213 0.000 1.287 123 L HN 0.629 nan 8.230 nan 0.000 0.435 124 E N 0.809 120.716 120.200 -0.487 0.000 2.179 124 E HA 0.266 4.616 4.350 0.000 0.000 0.275 124 E C -0.141 176.150 176.600 -0.514 0.000 0.945 124 E CA -0.446 55.674 56.400 -0.468 0.000 0.792 124 E CB 1.651 31.235 29.700 -0.193 0.000 1.125 124 E HN 0.529 nan 8.360 nan 0.000 0.397 125 H N 0.901 119.976 119.070 0.009 0.000 2.729 125 H HA 0.092 4.648 4.556 0.000 0.000 0.263 125 H C 0.835 176.176 175.328 0.021 0.000 0.961 125 H CA -0.124 55.934 56.048 0.017 0.000 1.217 125 H CB 0.833 30.602 29.762 0.012 0.000 1.447 125 H HN 0.297 nan 8.280 nan 0.000 0.496 126 R N 2.521 123.078 120.500 0.094 0.000 2.583 126 R HA -0.031 4.309 4.340 0.000 0.000 0.274 126 R C -0.245 176.087 176.300 0.053 0.000 0.998 126 R CA -0.149 55.989 56.100 0.063 0.000 1.081 126 R CB 0.494 30.818 30.300 0.040 0.000 0.940 126 R HN 0.139 nan 8.270 nan 0.000 0.413 127 R N 2.538 123.068 120.500 0.050 0.000 2.502 127 R HA 0.001 4.341 4.340 0.000 0.000 0.292 127 R C -0.416 175.909 176.300 0.042 0.000 0.998 127 R CA -0.065 56.063 56.100 0.047 0.000 1.056 127 R CB 0.564 30.885 30.300 0.036 0.000 0.939 127 R HN 0.344 nan 8.270 nan 0.000 0.411 128 V N 5.324 125.270 119.914 0.054 0.000 2.408 128 V HA 0.135 4.255 4.120 0.000 0.000 0.267 128 V C 0.040 176.165 176.094 0.052 0.000 1.047 128 V CA -0.254 62.083 62.300 0.062 0.000 0.937 128 V CB 1.338 33.216 31.823 0.092 0.000 0.999 128 V HN 0.427 nan 8.190 nan 0.000 0.472 129 V N 4.401 124.329 119.914 0.024 0.000 2.376 129 V HA 0.309 4.429 4.120 0.000 0.000 0.287 129 V C 0.377 176.440 176.094 -0.051 0.000 1.015 129 V CA -0.380 61.912 62.300 -0.014 0.000 0.834 129 V CB 1.767 33.574 31.823 -0.026 0.000 1.001 129 V HN 0.849 nan 8.190 nan 0.000 0.428 130 S N 6.823 122.465 115.700 -0.096 0.000 2.533 130 S HA 0.212 4.682 4.470 0.000 0.000 0.282 130 S C -0.807 173.625 174.600 -0.281 0.000 1.304 130 S CA -0.846 57.236 58.200 -0.197 0.000 1.063 130 S CB 1.002 63.917 63.200 -0.476 0.000 0.881 130 S HN 0.650 nan 8.310 nan 0.000 0.493 131 P HA -0.086 nan 4.420 nan 0.000 0.221 131 P C 0.075 177.008 177.300 -0.612 0.000 1.145 131 P CA 1.305 64.077 63.100 -0.547 0.000 0.795 131 P CB -0.090 31.142 31.700 -0.781 0.000 0.775 132 Y N -1.636 118.575 120.300 -0.148 0.000 2.457 132 Y HA 0.406 4.956 4.550 0.000 0.000 0.263 132 Y C 2.030 177.857 175.900 -0.121 0.000 1.164 132 Y CA 0.343 58.381 58.100 -0.104 0.000 1.274 132 Y CB -0.463 37.985 38.460 -0.021 0.000 1.097 132 Y HN 0.047 nan 8.280 nan 0.000 0.523 133 G N 0.067 108.785 108.800 -0.136 0.000 2.175 133 G HA2 -0.316 3.644 3.960 0.000 0.000 0.244 133 G HA3 -0.316 3.644 3.960 0.000 0.000 0.244 133 G C -0.040 174.824 174.900 -0.059 0.000 0.982 133 G CA 0.202 45.255 45.100 -0.078 0.000 0.641 133 G HN 0.640 nan 8.290 nan 0.000 0.527 134 H N -0.266 118.800 119.070 -0.007 0.000 2.551 134 H HA 0.814 5.370 4.556 0.000 0.000 0.358 134 H C 0.438 175.665 175.328 -0.169 0.000 1.151 134 H CA -0.632 55.362 56.048 -0.091 0.000 1.374 134 H CB 0.664 30.354 29.762 -0.120 0.000 1.473 134 H HN 0.368 nan 8.280 nan 0.000 0.574 135 R N 1.843 122.339 120.500 -0.007 0.000 2.514 135 R HA 0.315 4.655 4.340 0.000 0.000 0.301 135 R C -0.906 175.336 176.300 -0.098 0.000 0.962 135 R CA -0.811 55.272 56.100 -0.030 0.000 0.882 135 R CB 1.258 31.570 30.300 0.020 0.000 1.143 135 R HN 0.445 nan 8.270 nan 0.000 0.452 136 F N 1.019 121.027 119.950 0.097 0.000 2.418 136 F HA 0.150 4.677 4.527 0.000 0.000 0.341 136 F C 0.705 176.486 175.800 -0.032 0.000 1.120 136 F CA -0.550 57.446 58.000 -0.007 0.000 1.232 136 F CB 0.948 39.941 39.000 -0.012 0.000 1.175 136 F HN 0.077 nan 8.300 nan 0.000 0.569 137 V N 2.863 122.848 119.914 0.118 0.000 2.334 137 V HA 0.213 4.333 4.120 0.000 0.000 0.267 137 V C 0.351 176.455 176.094 0.017 0.000 1.040 137 V CA 0.121 62.447 62.300 0.042 0.000 0.866 137 V CB 0.263 32.083 31.823 -0.006 0.000 1.019 137 V HN 1.065 nan 8.190 nan 0.000 0.468 138 T N 1.650 116.215 114.554 0.018 0.000 2.995 138 T HA 0.616 4.966 4.350 0.000 0.000 0.170 138 T C 1.278 175.970 174.700 -0.013 0.000 0.844 138 T CA 0.762 62.845 62.100 -0.027 0.000 1.137 138 T CB -0.128 68.709 68.868 -0.052 0.000 2.193 138 T HN 1.253 nan 8.240 nan 0.000 0.384 139 G N 2.597 111.403 108.800 0.009 0.000 2.634 139 G HA2 -0.436 3.524 3.960 0.000 0.000 0.309 139 G HA3 -0.436 3.524 3.960 0.000 0.000 0.309 139 G C 0.829 175.740 174.900 0.017 0.000 1.265 139 G CA 1.378 46.495 45.100 0.028 0.000 0.998 139 G HN 1.230 nan 8.290 nan 0.000 0.551 140 E N 0.648 120.858 120.200 0.017 0.000 2.409 140 E HA -0.036 4.314 4.350 0.000 0.000 0.198 140 E C 2.097 178.695 176.600 -0.003 0.000 1.024 140 E CA 1.507 57.913 56.400 0.010 0.000 0.861 140 E CB -0.188 29.518 29.700 0.010 0.000 0.788 140 E HN 0.722 nan 8.360 nan 0.000 0.521 141 Q N 0.680 120.473 119.800 -0.011 0.000 2.425 141 Q HA 0.159 4.499 4.340 0.000 0.000 0.204 141 Q C 0.879 176.858 176.000 -0.034 0.000 0.933 141 Q CA 0.202 55.995 55.803 -0.017 0.000 0.939 141 Q CB 0.593 29.319 28.738 -0.021 0.000 1.044 141 Q HN 0.420 nan 8.270 nan 0.000 0.513 142 G N 1.490 110.253 108.800 -0.061 0.000 2.645 142 G HA2 -0.394 3.566 3.960 0.000 0.000 0.239 142 G HA3 -0.394 3.566 3.960 0.000 0.000 0.239 142 G C 0.364 175.153 174.900 -0.184 0.000 1.331 142 G CA 0.158 45.178 45.100 -0.134 0.000 0.890 142 G HN 0.295 nan 8.290 nan 0.000 0.572 143 M N -0.067 119.375 119.600 -0.263 0.000 2.159 143 M HA 0.242 4.723 4.480 0.000 0.000 0.263 143 M C 1.512 177.677 176.300 -0.225 0.000 1.063 143 M CA 3.474 58.605 55.300 -0.282 0.000 1.110 143 M CB -0.492 31.916 32.600 -0.320 0.000 1.374 143 M HN 2.144 nan 8.290 nan 0.000 0.411 144 G N -1.445 107.243 108.800 -0.187 0.000 2.513 144 G HA2 0.143 4.103 3.960 0.000 0.000 0.182 144 G HA3 0.143 4.103 3.960 0.000 0.000 0.182 144 G C -1.508 173.320 174.900 -0.120 0.000 1.190 144 G CA -0.227 44.750 45.100 -0.205 0.000 0.987 144 G HN 0.661 nan 8.290 nan 0.000 0.479 145 H N -2.017 117.001 119.070 -0.086 0.000 2.961 145 H HA 0.791 5.348 4.556 0.000 0.000 0.371 145 H C -1.924 173.354 175.328 -0.083 0.000 1.190 145 H CA -0.977 55.041 56.048 -0.050 0.000 1.138 145 H CB 2.272 32.004 29.762 -0.049 0.000 1.816 145 H HN 0.851 nan 8.280 nan 0.000 0.551 146 V N 2.451 122.428 119.914 0.105 0.000 2.656 146 V HA 0.386 4.507 4.120 0.000 0.000 0.307 146 V C -1.018 174.935 176.094 -0.234 0.000 1.051 146 V CA -0.608 61.642 62.300 -0.084 0.000 0.893 146 V CB 1.776 33.518 31.823 -0.135 0.000 0.999 146 V HN 0.649 nan 8.190 nan 0.000 0.426 147 V N 7.875 127.566 119.914 -0.372 0.000 2.384 147 V HA 0.551 4.671 4.120 0.000 0.000 0.287 147 V C -0.138 175.751 176.094 -0.342 0.000 1.020 147 V CA -0.409 61.623 62.300 -0.447 0.000 0.850 147 V CB 1.320 32.861 31.823 -0.469 0.000 0.987 147 V HN 0.712 nan 8.190 nan 0.000 0.436 148 L N 2.589 123.561 121.223 -0.419 0.000 2.323 148 L HA 0.589 4.929 4.340 0.000 0.000 0.265 148 L C 0.390 177.244 176.870 -0.026 0.000 1.012 148 L CA -0.614 54.105 54.840 -0.201 0.000 0.820 148 L CB 2.294 44.266 42.059 -0.146 0.000 1.334 148 L HN 0.510 nan 8.230 nan 0.000 0.427 149 S N 0.249 115.983 115.700 0.056 0.000 2.562 149 S HA 0.277 4.747 4.470 0.000 0.000 0.281 149 S C -0.058 174.654 174.600 0.187 0.000 1.333 149 S CA -0.143 58.116 58.200 0.098 0.000 1.052 149 S CB 1.021 64.255 63.200 0.058 0.000 0.884 149 S HN 0.624 nan 8.310 nan 0.000 0.506 150 T N 0.587 115.225 114.554 0.140 0.000 2.893 150 T HA 0.372 4.722 4.350 0.000 0.000 0.291 150 T C 1.119 175.834 174.700 0.024 0.000 1.028 150 T CA -0.953 61.182 62.100 0.058 0.000 0.995 150 T CB 0.914 69.781 68.868 -0.002 0.000 1.051 150 T HN 0.713 nan 8.240 nan 0.000 0.470 151 R N 1.921 122.417 120.500 -0.007 0.000 2.193 151 R HA 0.142 4.482 4.340 0.000 0.000 0.213 151 R C -0.235 176.065 176.300 0.001 0.000 1.055 151 R CA 0.664 56.761 56.100 -0.005 0.000 0.995 151 R CB 0.236 30.525 30.300 -0.018 0.000 0.893 151 R HN 0.432 nan 8.270 nan 0.000 0.459 152 D N 0.683 121.082 120.400 -0.002 0.000 2.452 152 D HA -0.010 4.630 4.640 0.000 0.000 0.226 152 D C -0.590 175.729 176.300 0.031 0.000 1.366 152 D CA -0.499 53.510 54.000 0.015 0.000 0.986 152 D CB 1.304 42.104 40.800 0.001 0.000 1.420 152 D HN 0.167 nan 8.370 nan 0.000 0.583 153 D N 2.517 122.962 120.400 0.075 0.000 2.144 153 D HA -0.143 4.498 4.640 0.000 0.000 0.199 153 D C 1.723 178.095 176.300 0.119 0.000 0.984 153 D CA 1.325 55.396 54.000 0.120 0.000 0.834 153 D CB -0.010 40.904 40.800 0.189 0.000 0.955 153 D HN 0.255 nan 8.370 nan 0.000 0.465 154 A N 0.337 123.216 122.820 0.099 0.000 1.902 154 A HA -0.226 4.094 4.320 0.000 0.000 0.217 154 A C 2.255 179.894 177.584 0.091 0.000 1.181 154 A CA 1.705 53.791 52.037 0.083 0.000 0.623 154 A CB -0.894 18.139 19.000 0.055 0.000 0.818 154 A HN 0.389 nan 8.150 nan 0.000 0.443 155 E N -0.172 120.066 120.200 0.063 0.000 2.051 155 E HA -0.127 4.223 4.350 0.000 0.000 0.192 155 E C 2.182 178.829 176.600 0.079 0.000 0.991 155 E CA 1.027 57.465 56.400 0.063 0.000 0.799 155 E CB -0.253 29.450 29.700 0.005 0.000 0.748 155 E HN 0.533 nan 8.360 nan 0.000 0.449 156 A N 1.147 123.977 122.820 0.018 0.000 1.877 156 A HA -0.184 4.136 4.320 0.000 0.000 0.216 156 A C 2.152 179.787 177.584 0.085 0.000 1.186 156 A CA 1.373 53.388 52.037 -0.036 0.000 0.620 156 A CB -0.763 18.085 19.000 -0.255 0.000 0.822 156 A HN 0.389 nan 8.150 nan 0.000 0.443 157 L N -0.510 120.819 121.223 0.176 0.000 2.043 157 L HA -0.225 4.115 4.340 0.000 0.000 0.212 157 L C 2.340 179.305 176.870 0.159 0.000 1.075 157 L CA 2.990 57.991 54.840 0.268 0.000 0.752 157 L CB -0.991 41.221 42.059 0.254 0.000 0.891 157 L HN 0.659 nan 8.230 nan 0.000 0.432 158 H N -1.626 117.482 119.070 0.064 0.000 2.321 158 H HA -0.247 4.309 4.556 0.000 0.000 0.300 158 H C 1.932 177.256 175.328 -0.007 0.000 1.087 158 H CA 2.383 58.449 56.048 0.030 0.000 1.319 158 H CB -0.524 29.254 29.762 0.027 0.000 1.379 158 H HN 0.403 nan 8.280 nan 0.000 0.501 159 F N -0.216 119.547 119.950 -0.311 0.000 2.113 159 F HA -0.147 4.380 4.527 0.000 0.000 0.297 159 F C 1.621 177.058 175.800 -0.605 0.000 1.103 159 F CA 1.388 59.088 58.000 -0.501 0.000 1.248 159 F CB -0.614 38.094 39.000 -0.487 0.000 0.999 159 F HN 0.188 nan 8.300 nan 0.000 0.475 160 Y N -0.352 119.699 120.300 -0.416 0.000 2.243 160 Y HA -0.054 4.496 4.550 0.000 0.000 0.293 160 Y C 2.766 178.452 175.900 -0.356 0.000 1.124 160 Y CA 1.757 59.493 58.100 -0.607 0.000 1.159 160 Y CB -0.590 37.165 38.460 -1.174 0.000 1.008 160 Y HN -0.060 nan 8.280 nan 0.000 0.527 161 R N 0.254 120.690 120.500 -0.106 0.000 2.052 161 R HA -0.099 4.241 4.340 0.000 0.000 0.224 161 R C 1.464 177.716 176.300 -0.079 0.000 1.149 161 R CA 1.730 57.860 56.100 0.050 0.000 0.962 161 R CB -0.170 30.248 30.300 0.198 0.000 0.856 161 R HN 0.186 nan 8.270 nan 0.000 0.433 162 D N -0.011 120.289 120.400 -0.167 0.000 2.123 162 D HA -0.093 4.547 4.640 0.000 0.000 0.200 162 D C 1.963 178.075 176.300 -0.313 0.000 0.976 162 D CA 1.037 54.917 54.000 -0.200 0.000 0.831 162 D CB -0.083 40.608 40.800 -0.182 0.000 0.974 162 D HN 0.110 nan 8.370 nan 0.000 0.469 163 V N 0.778 120.387 119.914 -0.508 0.000 2.283 163 V HA -0.063 4.057 4.120 0.000 0.000 0.239 163 V C 2.540 178.333 176.094 -0.500 0.000 1.035 163 V CA 0.833 62.814 62.300 -0.532 0.000 1.018 163 V CB -0.414 30.988 31.823 -0.702 0.000 0.658 163 V HN 0.120 nan 8.190 nan 0.000 0.459 164 L N 0.307 121.172 121.223 -0.598 0.000 2.313 164 L HA 0.185 4.526 4.340 0.000 0.000 0.214 164 L C 1.775 178.499 176.870 -0.244 0.000 1.119 164 L CA 1.136 55.718 54.840 -0.431 0.000 0.809 164 L CB -0.537 41.274 42.059 -0.413 0.000 0.933 164 L HN 0.690 nan 8.230 nan 0.000 0.449 165 G N -0.476 108.225 108.800 -0.165 0.000 2.132 165 G HA2 -0.280 3.680 3.960 0.000 0.000 0.234 165 G HA3 -0.280 3.680 3.960 0.000 0.000 0.234 165 G C 0.117 174.979 174.900 -0.063 0.000 0.989 165 G CA -0.448 44.583 45.100 -0.116 0.000 0.676 165 G HN 0.110 nan 8.290 nan 0.000 0.522 166 F N 0.349 120.238 119.950 -0.102 0.000 2.496 166 F HA 0.556 5.083 4.527 0.000 0.000 0.344 166 F C 1.450 177.310 175.800 0.099 0.000 1.155 166 F CA 0.085 58.085 58.000 0.001 0.000 1.302 166 F CB 0.515 39.542 39.000 0.045 0.000 1.159 166 F HN 0.032 nan 8.300 nan 0.000 0.595 167 R N 1.481 122.163 120.500 0.305 0.000 2.404 167 R HA 0.403 4.743 4.340 0.000 0.000 0.291 167 R C -1.142 175.319 176.300 0.268 0.000 1.025 167 R CA -0.914 55.322 56.100 0.227 0.000 0.991 167 R CB 0.804 31.171 30.300 0.111 0.000 1.053 167 R HN 0.426 nan 8.270 nan 0.000 0.479 168 L N 3.612 124.947 121.223 0.186 0.000 2.433 168 L HA 0.142 4.482 4.340 0.000 0.000 0.275 168 L C 0.576 177.465 176.870 0.032 0.000 1.128 168 L CA 0.742 55.582 54.840 0.001 0.000 0.875 168 L CB 0.542 42.600 42.059 -0.002 0.000 1.171 168 L HN 0.592 nan 8.230 nan 0.000 0.463 169 R N 2.342 122.805 120.500 -0.061 0.000 2.167 169 R HA 0.282 4.622 4.340 0.000 0.000 0.201 169 R C -0.317 176.120 176.300 0.229 0.000 1.024 169 R CA 0.210 56.310 56.100 0.000 0.000 1.053 169 R CB 0.141 30.183 30.300 -0.431 0.000 0.987 169 R HN 0.756 nan 8.270 nan 0.000 0.493 170 D N -1.012 119.451 120.400 0.104 0.000 2.623 170 D HA 0.297 4.937 4.640 0.000 0.000 0.241 170 D C -1.581 174.845 176.300 0.210 0.000 1.241 170 D CA -0.239 53.867 54.000 0.175 0.000 0.788 170 D CB 1.886 42.743 40.800 0.095 0.000 1.413 170 D HN -0.177 nan 8.370 nan 0.000 0.429 171 S N 1.365 117.200 115.700 0.225 0.000 2.540 171 S HA 0.674 5.144 4.470 0.000 0.000 0.275 171 S C -1.124 173.721 174.600 0.407 0.000 1.123 171 S CA -0.774 57.616 58.200 0.317 0.000 0.907 171 S CB 1.476 64.794 63.200 0.196 0.000 1.081 171 S HN 0.561 nan 8.310 nan 0.000 0.476 172 M N 3.532 123.397 119.600 0.441 0.000 2.326 172 M HA 0.469 4.949 4.480 0.000 0.000 0.292 172 M C -0.760 175.549 176.300 0.015 0.000 1.081 172 M CA -0.629 54.819 55.300 0.247 0.000 0.919 172 M CB 1.603 34.322 32.600 0.198 0.000 1.634 172 M HN 0.847 nan 8.290 nan 0.000 0.451 173 R N 4.319 124.596 120.500 -0.372 0.000 2.531 173 R HA 0.715 5.055 4.340 0.000 0.000 0.273 173 R C -1.745 174.287 176.300 -0.447 0.000 1.070 173 R CA -0.589 54.972 56.100 -0.899 0.000 1.112 173 R CB 0.620 30.189 30.300 -1.217 0.000 1.049 173 R HN 0.716 nan 8.270 nan 0.000 0.508 174 L N 2.574 123.534 121.223 -0.438 0.000 2.362 174 L HA 0.485 4.825 4.340 0.000 0.000 0.275 174 L C -2.256 174.480 176.870 -0.223 0.000 0.998 174 L CA -2.948 51.744 54.840 -0.246 0.000 0.820 174 L CB 2.110 44.062 42.059 -0.179 0.000 1.270 174 L HN 0.526 nan 8.230 nan 0.000 0.415 175 P HA 0.047 nan 4.420 nan 0.000 0.267 175 P C -1.991 175.250 177.300 -0.099 0.000 1.200 175 P CA -1.072 61.956 63.100 -0.119 0.000 0.772 175 P CB 0.042 31.693 31.700 -0.082 0.000 0.855 176 P HA -0.199 nan 4.420 nan 0.000 0.216 176 P C 1.233 178.508 177.300 -0.041 0.000 1.150 176 P CA 1.751 64.818 63.100 -0.056 0.000 0.837 176 P CB 0.017 31.694 31.700 -0.038 0.000 0.786 177 Q N -0.823 118.954 119.800 -0.038 0.000 2.135 177 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 177 Q C 2.388 178.370 176.000 -0.030 0.000 0.981 177 Q CA 1.408 57.194 55.803 -0.028 0.000 0.856 177 Q CB -0.564 28.159 28.738 -0.025 0.000 0.902 177 Q HN 0.244 nan 8.270 nan 0.000 0.425 178 M N 0.420 119.995 119.600 -0.042 0.000 2.374 178 M HA -0.086 4.394 4.480 0.000 0.000 0.264 178 M C 1.208 177.486 176.300 -0.036 0.000 1.067 178 M CA 1.001 56.276 55.300 -0.042 0.000 1.103 178 M CB 0.427 32.992 32.600 -0.059 0.000 1.402 178 M HN 0.190 nan 8.290 nan 0.000 0.444 179 V N -3.260 116.632 119.914 -0.036 0.000 3.271 179 V HA 0.519 4.639 4.120 0.000 0.000 0.327 179 V C 0.887 176.972 176.094 -0.015 0.000 1.389 179 V CA 0.255 62.539 62.300 -0.026 0.000 1.156 179 V CB -0.803 31.001 31.823 -0.032 0.000 1.103 179 V HN 0.574 nan 8.190 nan 0.000 0.453 180 G N 1.145 109.936 108.800 -0.014 0.000 2.153 180 G HA2 -0.277 3.684 3.960 0.000 0.000 0.252 180 G HA3 -0.277 3.684 3.960 0.000 0.000 0.252 180 G C 0.298 175.193 174.900 -0.007 0.000 0.994 180 G CA 0.527 45.622 45.100 -0.008 0.000 0.698 180 G HN 0.671 nan 8.290 nan 0.000 0.521 181 R N 0.501 120.994 120.500 -0.011 0.000 2.532 181 R HA 0.512 4.853 4.340 0.000 0.000 0.272 181 R C -2.168 174.127 176.300 -0.009 0.000 1.032 181 R CA -1.798 54.297 56.100 -0.008 0.000 1.089 181 R CB 0.723 31.017 30.300 -0.010 0.000 1.098 181 R HN 0.088 nan 8.270 nan 0.000 0.526 182 P HA -0.026 nan 4.420 nan 0.000 0.269 182 P C -0.090 177.204 177.300 -0.009 0.000 1.215 182 P CA 0.154 63.251 63.100 -0.006 0.000 0.780 182 P CB 0.623 32.322 31.700 -0.002 0.000 0.898 183 A N 2.679 125.494 122.820 -0.009 0.000 2.024 183 A HA -0.197 4.123 4.320 0.000 0.000 0.220 183 A C 1.566 179.144 177.584 -0.009 0.000 1.164 183 A CA 1.828 53.858 52.037 -0.011 0.000 0.643 183 A CB -1.104 17.890 19.000 -0.009 0.000 0.806 183 A HN 0.703 nan 8.150 nan 0.000 0.451 184 D N -1.039 119.358 120.400 -0.005 0.000 2.347 184 D HA 0.107 4.747 4.640 0.000 0.000 0.215 184 D C 1.004 177.304 176.300 0.000 0.000 0.976 184 D CA 0.892 54.891 54.000 -0.002 0.000 0.884 184 D CB 0.013 40.813 40.800 0.001 0.000 0.915 184 D HN 0.365 nan 8.370 nan 0.000 0.526 185 G N 0.933 109.732 108.800 -0.001 0.000 3.107 185 G HA2 0.535 4.495 3.960 0.000 0.000 0.232 185 G HA3 0.535 4.495 3.960 0.000 0.000 0.232 185 G C -2.854 172.046 174.900 -0.000 0.000 1.339 185 G CA -1.103 43.999 45.100 0.004 0.000 1.033 185 G HN -0.061 nan 8.290 nan 0.000 0.567 186 P HA 0.384 nan 4.420 nan 0.000 0.287 186 P C -2.553 174.739 177.300 -0.012 0.000 1.270 186 P CA -1.682 61.433 63.100 0.024 0.000 0.844 186 P CB 1.362 33.097 31.700 0.059 0.000 1.068 187 P HA 0.230 nan 4.420 nan 0.000 0.272 187 P C -0.772 176.399 177.300 -0.215 0.000 1.240 187 P CA -0.072 62.915 63.100 -0.188 0.000 0.791 187 P CB 0.603 32.102 31.700 -0.335 0.000 0.978 188 A N 0.800 123.451 122.820 -0.281 0.000 2.282 188 A HA 0.711 5.032 4.320 0.000 0.000 0.324 188 A C -1.518 175.811 177.584 -0.426 0.000 1.119 188 A CA -0.635 51.297 52.037 -0.175 0.000 0.880 188 A CB 0.669 19.641 19.000 -0.046 0.000 1.294 188 A HN 0.560 nan 8.150 nan 0.000 0.493 189 W N -0.242 121.062 121.300 0.007 0.000 2.683 189 W HA 0.523 5.184 4.660 0.000 0.000 0.329 189 W C -0.761 175.748 176.519 -0.016 0.000 1.037 189 W CA -0.318 57.030 57.345 0.005 0.000 1.232 189 W CB 1.840 31.310 29.460 0.017 0.000 1.390 189 W HN 0.525 nan 8.180 nan 0.000 0.465 190 L N 5.101 126.417 121.223 0.155 0.000 2.260 190 L HA 0.574 4.914 4.340 0.000 0.000 0.289 190 L C -0.360 176.488 176.870 -0.037 0.000 1.057 190 L CA -0.581 54.251 54.840 -0.014 0.000 0.811 190 L CB 0.186 42.185 42.059 -0.100 0.000 1.184 190 L HN 0.403 nan 8.230 nan 0.000 0.429 191 R N 4.837 125.229 120.500 -0.180 0.000 2.562 191 R HA 0.543 4.883 4.340 0.000 0.000 0.298 191 R C -1.438 174.453 176.300 -0.681 0.000 0.961 191 R CA -0.573 55.358 56.100 -0.281 0.000 0.881 191 R CB 1.616 31.792 30.300 -0.208 0.000 1.159 191 R HN 0.447 nan 8.270 nan 0.000 0.450 192 F N 2.417 122.008 119.950 -0.599 0.000 2.436 192 F HA 0.477 5.004 4.527 0.000 0.000 0.340 192 F C -0.249 175.116 175.800 -0.724 0.000 1.113 192 F CA -0.638 57.006 58.000 -0.593 0.000 1.022 192 F CB 0.970 39.630 39.000 -0.567 0.000 1.128 192 F HN 0.283 nan 8.300 nan 0.000 0.466 193 F N 0.881 120.836 119.950 0.009 0.000 2.520 193 F HA 0.725 5.252 4.527 0.000 0.000 0.322 193 F C 0.453 176.352 175.800 0.165 0.000 1.103 193 F CA -1.161 56.861 58.000 0.037 0.000 0.926 193 F CB 2.078 40.972 39.000 -0.177 0.000 1.154 193 F HN 0.534 nan 8.300 nan 0.000 0.453 194 G N -0.227 108.790 108.800 0.363 0.000 2.482 194 G HA2 0.498 4.458 3.960 0.000 0.000 0.317 194 G HA3 0.498 4.458 3.960 0.000 0.000 0.317 194 G C -0.212 174.812 174.900 0.206 0.000 1.241 194 G CA -0.695 44.542 45.100 0.229 0.000 0.967 194 G HN 0.997 nan 8.290 nan 0.000 0.482 195 C N -0.043 119.301 119.300 0.074 0.000 3.642 195 C HA 0.527 4.987 4.460 0.000 0.000 0.305 195 C C 0.292 175.227 174.990 -0.092 0.000 1.492 195 C CA -0.438 58.483 59.018 -0.162 0.000 1.809 195 C CB -1.613 25.887 27.740 -0.400 0.000 2.639 195 C HN 0.863 nan 8.230 nan 0.000 0.672 196 N N -0.928 117.751 118.700 -0.035 0.000 3.308 196 N HA 0.445 5.185 4.740 0.000 0.000 0.276 196 N C -2.949 172.534 175.510 -0.045 0.000 1.533 196 N CA -1.086 51.943 53.050 -0.035 0.000 0.878 196 N CB -0.041 38.436 38.487 -0.017 0.000 1.566 196 N HN -0.269 nan 8.380 nan 0.000 0.546 197 P HA -0.104 nan 4.420 nan 0.000 0.221 197 P C -0.232 177.028 177.300 -0.067 0.000 1.145 197 P CA 0.875 63.940 63.100 -0.059 0.000 0.795 197 P CB 0.105 31.786 31.700 -0.032 0.000 0.775 198 R N 0.389 120.869 120.500 -0.034 0.000 2.484 198 R HA -0.083 4.257 4.340 0.000 0.000 0.293 198 R C 1.774 178.055 176.300 -0.032 0.000 1.023 198 R CA 0.100 56.192 56.100 -0.014 0.000 1.037 198 R CB -0.240 30.067 30.300 0.012 0.000 0.951 198 R HN 0.218 nan 8.270 nan 0.000 0.418 199 H N 4.427 123.418 119.070 -0.131 0.000 2.292 199 H HA -0.206 4.350 4.556 0.000 0.000 0.292 199 H C -0.307 175.004 175.328 -0.027 0.000 1.100 199 H CA 2.336 58.273 56.048 -0.185 0.000 1.238 199 H CB 0.178 29.855 29.762 -0.142 0.000 1.355 199 H HN 0.773 nan 8.280 nan 0.000 0.484 200 H N -2.622 116.469 119.070 0.035 0.000 2.806 200 H HA 0.366 4.922 4.556 0.000 0.000 0.367 200 H C -0.181 175.249 175.328 0.170 0.000 1.136 200 H CA -0.309 55.762 56.048 0.039 0.000 1.178 200 H CB 1.802 31.597 29.762 0.056 0.000 1.718 200 H HN -0.022 nan 8.280 nan 0.000 0.540 201 S N 1.330 117.212 115.700 0.304 0.000 2.502 201 S HA 0.132 4.602 4.470 0.000 0.000 0.215 201 S C 0.090 174.928 174.600 0.397 0.000 1.009 201 S CA -0.087 58.337 58.200 0.373 0.000 0.908 201 S CB 0.093 63.603 63.200 0.517 0.000 0.801 201 S HN 0.486 nan 8.310 nan 0.000 0.505 202 L N 0.644 122.022 121.223 0.259 0.000 2.549 202 L HA 0.775 5.115 4.340 0.000 0.000 0.259 202 L C -1.645 175.108 176.870 -0.195 0.000 0.934 202 L CA -0.307 54.514 54.840 -0.031 0.000 0.865 202 L CB 1.388 43.291 42.059 -0.260 0.000 1.352 202 L HN -0.036 nan 8.230 nan 0.000 0.410 203 A N 3.156 125.649 122.820 -0.545 0.000 2.556 203 A HA 0.892 5.212 4.320 0.000 0.000 0.294 203 A C -1.973 175.025 177.584 -0.977 0.000 1.091 203 A CA -0.375 51.249 52.037 -0.688 0.000 0.704 203 A CB 1.332 19.722 19.000 -1.017 0.000 1.300 203 A HN 0.453 nan 8.150 nan 0.000 0.406 204 F N 0.503 120.278 119.950 -0.292 0.000 2.499 204 F HA 0.522 5.049 4.527 0.000 0.000 0.333 204 F C -0.344 175.343 175.800 -0.188 0.000 1.138 204 F CA -0.484 57.397 58.000 -0.199 0.000 0.945 204 F CB 2.038 40.963 39.000 -0.125 0.000 1.181 204 F HN 0.428 nan 8.300 nan 0.000 0.435 205 L N 7.353 128.557 121.223 -0.032 0.000 2.265 205 L HA 0.554 4.894 4.340 0.000 0.000 0.288 205 L C -2.053 174.837 176.870 0.034 0.000 1.058 205 L CA -2.043 52.778 54.840 -0.032 0.000 0.809 205 L CB 0.932 42.954 42.059 -0.062 0.000 1.179 205 L HN 0.220 nan 8.230 nan 0.000 0.429 206 P HA 0.159 nan 4.420 nan 0.000 0.220 206 P C -1.050 176.259 177.300 0.015 0.000 1.778 206 P CA 0.236 63.358 63.100 0.037 0.000 0.912 206 P CB -0.230 31.498 31.700 0.047 0.000 1.861 207 M N 1.302 120.910 119.600 0.014 0.000 2.433 207 M HA 0.446 4.926 4.480 0.000 0.000 0.290 207 M C -2.772 173.539 176.300 0.019 0.000 1.173 207 M CA -2.411 52.894 55.300 0.008 0.000 0.905 207 M CB 3.488 36.085 32.600 -0.005 0.000 1.692 207 M HN -0.210 nan 8.290 nan 0.000 0.462 208 P HA 0.384 nan 4.420 nan 0.000 0.279 208 P C -1.111 176.212 177.300 0.038 0.000 1.252 208 P CA -0.206 62.912 63.100 0.029 0.000 0.811 208 P CB 1.043 32.758 31.700 0.025 0.000 1.035 209 T N -3.389 111.193 114.554 0.048 0.000 2.903 209 T HA 0.336 4.686 4.350 0.000 0.000 0.299 209 T C 1.133 175.878 174.700 0.074 0.000 1.093 209 T CA -0.393 61.747 62.100 0.067 0.000 1.002 209 T CB 0.981 69.896 68.868 0.079 0.000 1.127 209 T HN 0.325 nan 8.240 nan 0.000 0.488 210 S N 1.072 116.828 115.700 0.093 0.000 2.406 210 S HA -0.116 4.354 4.470 0.000 0.000 0.228 210 S C 2.035 176.704 174.600 0.116 0.000 1.020 210 S CA 1.087 59.347 58.200 0.100 0.000 0.965 210 S CB -0.861 62.403 63.200 0.107 0.000 0.798 210 S HN 1.004 nan 8.310 nan 0.000 0.488 211 S N 0.446 116.233 115.700 0.145 0.000 2.478 211 S HA 0.448 4.918 4.470 0.000 0.000 0.222 211 S C 1.829 176.463 174.600 0.057 0.000 1.008 211 S CA 0.649 58.939 58.200 0.150 0.000 0.928 211 S CB -0.512 62.859 63.200 0.286 0.000 0.781 211 S HN 1.332 nan 8.310 nan 0.000 0.518 212 G N 1.153 109.978 108.800 0.043 0.000 2.241 212 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 212 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 212 G C 0.028 174.907 174.900 -0.034 0.000 0.998 212 G CA 0.158 45.263 45.100 0.009 0.000 0.621 212 G HN 0.582 nan 8.290 nan 0.000 0.519 213 I N 1.465 121.987 120.570 -0.080 0.000 2.353 213 I HA 0.384 4.555 4.170 0.000 0.000 0.293 213 I C 1.705 177.833 176.117 0.018 0.000 0.992 213 I CA -0.953 60.251 61.300 -0.159 0.000 1.268 213 I CB 1.703 39.363 38.000 -0.566 0.000 1.387 213 I HN -0.082 nan 8.210 nan 0.000 0.478 214 V N 4.852 124.776 119.914 0.017 0.000 2.326 214 V HA -0.018 4.102 4.120 0.000 0.000 0.238 214 V C 0.474 176.751 176.094 0.305 0.000 1.038 214 V CA 1.026 63.403 62.300 0.127 0.000 1.032 214 V CB -0.464 31.391 31.823 0.053 0.000 0.675 214 V HN 0.837 nan 8.190 nan 0.000 0.467 215 H N -0.972 118.212 119.070 0.191 0.000 3.012 215 H HA 0.602 5.158 4.556 0.000 0.000 0.367 215 H C -1.745 173.697 175.328 0.191 0.000 1.211 215 H CA -1.168 55.055 56.048 0.291 0.000 1.139 215 H CB 2.232 32.253 29.762 0.432 0.000 1.838 215 H HN 0.191 nan 8.280 nan 0.000 0.550 216 L N 3.151 124.561 121.223 0.311 0.000 2.313 216 L HA 0.424 4.764 4.340 0.000 0.000 0.283 216 L C -0.644 176.335 176.870 0.182 0.000 1.013 216 L CA -0.639 54.297 54.840 0.161 0.000 0.816 216 L CB 1.546 43.713 42.059 0.179 0.000 1.236 216 L HN 0.710 nan 8.230 nan 0.000 0.419 217 M N 7.009 126.628 119.600 0.031 0.000 2.180 217 M HA 0.514 4.994 4.480 0.000 0.000 0.350 217 M C -1.328 174.822 176.300 -0.250 0.000 1.125 217 M CA -0.674 54.521 55.300 -0.174 0.000 1.031 217 M CB 1.304 33.587 32.600 -0.528 0.000 1.623 217 M HN 0.530 nan 8.290 nan 0.000 0.451 218 V N 2.862 122.645 119.914 -0.218 0.000 2.715 218 V HA 0.713 4.833 4.120 0.000 0.000 0.310 218 V C -0.748 175.139 176.094 -0.346 0.000 1.054 218 V CA -0.775 61.378 62.300 -0.246 0.000 0.928 218 V CB 1.788 33.495 31.823 -0.193 0.000 1.007 218 V HN 0.955 nan 8.190 nan 0.000 0.437 219 E N 2.307 122.365 120.200 -0.238 0.000 2.199 219 E HA 0.712 5.062 4.350 0.000 0.000 0.269 219 E C -0.899 175.584 176.600 -0.195 0.000 0.899 219 E CA -0.811 55.436 56.400 -0.255 0.000 0.772 219 E CB 2.301 31.901 29.700 -0.166 0.000 1.155 219 E HN 0.970 nan 8.360 nan 0.000 0.408 220 V N 0.840 120.554 119.914 -0.333 0.000 3.103 220 V HA 0.405 4.525 4.120 0.000 0.000 0.318 220 V C 0.901 176.916 176.094 -0.133 0.000 1.114 220 V CA -0.516 61.611 62.300 -0.289 0.000 1.020 220 V CB 1.660 33.207 31.823 -0.459 0.000 1.085 220 V HN 0.869 nan 8.190 nan 0.000 0.446 221 E N -0.185 119.970 120.200 -0.075 0.000 2.106 221 E HA -0.038 4.312 4.350 0.000 0.000 0.192 221 E C 0.360 176.955 176.600 -0.007 0.000 0.984 221 E CA 1.113 57.498 56.400 -0.025 0.000 0.806 221 E CB 0.174 29.872 29.700 -0.003 0.000 0.750 221 E HN 0.708 nan 8.360 nan 0.000 0.458 222 Q N -1.759 118.042 119.800 0.002 0.000 2.423 222 Q HA 0.433 4.773 4.340 0.000 0.000 0.278 222 Q C 0.092 176.120 176.000 0.047 0.000 1.097 222 Q CA -0.288 55.531 55.803 0.028 0.000 0.809 222 Q CB 1.938 30.698 28.738 0.038 0.000 1.391 222 Q HN 0.050 nan 8.270 nan 0.000 0.428 223 A N 1.715 124.570 122.820 0.060 0.000 1.940 223 A HA -0.229 4.091 4.320 0.000 0.000 0.219 223 A C 1.172 178.810 177.584 0.090 0.000 1.176 223 A CA 2.057 54.144 52.037 0.084 0.000 0.631 223 A CB -0.266 18.786 19.000 0.086 0.000 0.814 223 A HN 0.767 nan 8.150 nan 0.000 0.446 224 D N 0.398 120.841 120.400 0.071 0.000 2.149 224 D HA -0.129 4.511 4.640 0.000 0.000 0.198 224 D C 1.362 177.717 176.300 0.092 0.000 0.990 224 D CA 1.367 55.408 54.000 0.068 0.000 0.839 224 D CB -0.363 40.470 40.800 0.054 0.000 0.948 224 D HN 0.442 nan 8.370 nan 0.000 0.460 225 D N 0.074 120.540 120.400 0.110 0.000 2.123 225 D HA -0.110 4.530 4.640 0.000 0.000 0.196 225 D C 2.308 178.753 176.300 0.240 0.000 0.992 225 D CA 0.540 54.635 54.000 0.158 0.000 0.833 225 D CB -0.301 40.565 40.800 0.109 0.000 0.954 225 D HN 0.124 nan 8.370 nan 0.000 0.455 226 V N 1.163 121.234 119.914 0.263 0.000 2.295 226 V HA -0.154 3.966 4.120 0.000 0.000 0.246 226 V C 2.622 178.869 176.094 0.254 0.000 1.049 226 V CA 2.096 64.640 62.300 0.407 0.000 1.024 226 V CB -1.105 30.920 31.823 0.337 0.000 0.648 226 V HN 0.246 nan 8.190 nan 0.000 0.447 227 G N -0.366 108.508 108.800 0.123 0.000 2.408 227 G HA2 -0.175 3.786 3.960 0.000 0.000 0.217 227 G HA3 -0.175 3.786 3.960 0.000 0.000 0.217 227 G C 1.608 176.477 174.900 -0.052 0.000 1.150 227 G CA 0.793 45.900 45.100 0.011 0.000 0.776 227 G HN 0.462 nan 8.290 nan 0.000 0.542 228 L N -0.125 121.091 121.223 -0.011 0.000 2.093 228 L HA -0.060 4.280 4.340 0.000 0.000 0.208 228 L C 2.960 179.742 176.870 -0.146 0.000 1.085 228 L CA 0.739 55.547 54.840 -0.052 0.000 0.755 228 L CB -0.505 41.562 42.059 0.014 0.000 0.904 228 L HN 0.371 nan 8.230 nan 0.000 0.435 229 C N -0.068 119.136 119.300 -0.161 0.000 2.429 229 C HA -0.168 4.292 4.460 0.000 0.000 0.277 229 C C 2.754 177.566 174.990 -0.297 0.000 1.262 229 C CA 0.659 59.469 59.018 -0.346 0.000 1.733 229 C CB -0.699 26.567 27.740 -0.789 0.000 2.010 229 C HN 0.486 nan 8.230 nan 0.000 0.483 230 L N 0.558 121.547 121.223 -0.391 0.000 2.012 230 L HA -0.157 4.183 4.340 0.000 0.000 0.210 230 L C 2.305 178.923 176.870 -0.420 0.000 1.073 230 L CA 2.346 56.709 54.840 -0.795 0.000 0.748 230 L CB -0.758 40.758 42.059 -0.904 0.000 0.891 230 L HN 0.345 nan 8.230 nan 0.000 0.431 231 D N -0.398 119.831 120.400 -0.285 0.000 2.149 231 D HA -0.194 4.446 4.640 0.000 0.000 0.198 231 D C 2.311 178.500 176.300 -0.185 0.000 0.990 231 D CA 1.137 55.019 54.000 -0.198 0.000 0.839 231 D CB -0.033 40.681 40.800 -0.142 0.000 0.948 231 D HN 0.313 nan 8.370 nan 0.000 0.460 232 R N 0.342 120.707 120.500 -0.225 0.000 2.066 232 R HA 0.027 4.367 4.340 0.000 0.000 0.232 232 R C 2.301 178.492 176.300 -0.182 0.000 1.131 232 R CA 1.124 57.085 56.100 -0.232 0.000 0.955 232 R CB -0.299 29.780 30.300 -0.367 0.000 0.851 232 R HN 0.100 nan 8.270 nan 0.000 0.432 233 A N 1.578 124.288 122.820 -0.183 0.000 1.883 233 A HA -0.152 4.168 4.320 0.000 0.000 0.217 233 A C 2.233 179.765 177.584 -0.087 0.000 1.186 233 A CA 1.232 53.209 52.037 -0.100 0.000 0.624 233 A CB -0.655 18.325 19.000 -0.034 0.000 0.822 233 A HN 0.167 nan 8.150 nan 0.000 0.444 234 L N -1.535 119.609 121.223 -0.132 0.000 2.012 234 L HA -0.220 4.120 4.340 0.000 0.000 0.210 234 L C 2.850 179.673 176.870 -0.078 0.000 1.073 234 L CA 1.913 56.689 54.840 -0.107 0.000 0.748 234 L CB -0.460 41.520 42.059 -0.131 0.000 0.891 234 L HN 0.357 nan 8.230 nan 0.000 0.431 235 R N 0.006 120.456 120.500 -0.084 0.000 2.105 235 R HA -0.115 4.225 4.340 0.000 0.000 0.239 235 R C 2.056 178.328 176.300 -0.047 0.000 1.135 235 R CA 1.312 57.374 56.100 -0.062 0.000 0.967 235 R CB -0.020 30.239 30.300 -0.067 0.000 0.861 235 R HN 0.239 nan 8.270 nan 0.000 0.442 236 R N 0.356 120.826 120.500 -0.049 0.000 2.320 236 R HA 0.095 4.435 4.340 0.000 0.000 0.211 236 R C -0.217 176.072 176.300 -0.020 0.000 0.931 236 R CA 0.118 56.201 56.100 -0.028 0.000 1.071 236 R CB 0.284 30.571 30.300 -0.022 0.000 1.025 236 R HN 0.098 nan 8.270 nan 0.000 0.495 237 K N -0.079 120.304 120.400 -0.027 0.000 3.035 237 K HA -0.147 4.173 4.320 0.000 0.000 0.262 237 K C -0.447 176.143 176.600 -0.017 0.000 1.024 237 K CA 0.410 56.682 56.287 -0.024 0.000 0.748 237 K CB -1.980 30.505 32.500 -0.024 0.000 1.247 237 K HN 0.018 nan 8.250 nan 0.000 0.482 238 V N 1.541 121.454 119.914 -0.001 0.000 2.529 238 V HA 0.054 4.174 4.120 0.000 0.000 0.292 238 V C -1.550 174.551 176.094 0.012 0.000 1.028 238 V CA -0.988 61.325 62.300 0.022 0.000 1.074 238 V CB 0.356 32.242 31.823 0.105 0.000 0.958 238 V HN 0.110 nan 8.190 nan 0.000 0.481 239 P HA 0.187 nan 4.420 nan 0.000 0.271 239 P C -0.284 177.038 177.300 0.038 0.000 1.220 239 P CA -0.187 62.913 63.100 -0.000 0.000 0.768 239 P CB 0.335 32.022 31.700 -0.022 0.000 0.848 240 M N 2.064 121.689 119.600 0.042 0.000 2.235 240 M HA 0.155 4.635 4.480 0.000 0.000 0.351 240 M C 1.048 177.387 176.300 0.065 0.000 1.178 240 M CA 0.422 55.767 55.300 0.074 0.000 1.143 240 M CB 0.708 33.332 32.600 0.041 0.000 1.530 240 M HN 0.299 nan 8.290 nan 0.000 0.461 241 S N 1.054 116.805 115.700 0.085 0.000 2.599 241 S HA 0.481 4.952 4.470 0.000 0.000 0.236 241 S C 0.341 174.830 174.600 -0.185 0.000 1.077 241 S CA -0.048 58.180 58.200 0.047 0.000 0.906 241 S CB 0.702 63.998 63.200 0.159 0.000 0.804 241 S HN 0.808 nan 8.310 nan 0.000 0.497 242 A N 1.823 124.478 122.820 -0.276 0.000 2.520 242 A HA 0.636 4.956 4.320 0.000 0.000 0.298 242 A C -0.006 177.512 177.584 -0.109 0.000 1.051 242 A CA -0.752 50.961 52.037 -0.541 0.000 0.690 242 A CB 0.643 18.656 19.000 -1.645 0.000 1.281 242 A HN 0.205 nan 8.150 nan 0.000 0.402 243 T N 0.150 114.656 114.554 -0.081 0.000 2.748 243 T HA 0.481 4.831 4.350 0.000 0.000 0.304 243 T C 0.553 175.293 174.700 0.066 0.000 1.041 243 T CA -0.431 61.677 62.100 0.013 0.000 1.033 243 T CB -0.042 68.826 68.868 -0.000 0.000 0.995 243 T HN 0.544 nan 8.240 nan 0.000 0.536 244 L N 1.631 122.891 121.223 0.062 0.000 2.525 244 L HA 0.462 4.802 4.340 0.000 0.000 0.278 244 L C 1.103 177.754 176.870 -0.366 0.000 1.218 244 L CA 0.634 55.477 54.840 0.006 0.000 0.878 244 L CB -0.298 41.821 42.059 0.099 0.000 1.127 244 L HN 1.109 nan 8.230 nan 0.000 0.492 245 G N 3.188 111.395 108.800 -0.988 0.000 2.550 245 G HA2 0.467 4.427 3.960 0.000 0.000 0.293 245 G HA3 0.467 4.427 3.960 0.000 0.000 0.293 245 G C -1.934 171.831 174.900 -1.893 0.000 1.402 245 G CA -0.769 43.158 45.100 -1.955 0.000 0.784 245 G HN 0.479 nan 8.290 nan 0.000 0.482 246 R N -0.191 119.242 120.500 -1.779 0.000 2.534 246 R HA 0.487 4.827 4.340 0.000 0.000 0.301 246 R C -0.734 175.346 176.300 -0.367 0.000 0.961 246 R CA -0.663 54.967 56.100 -0.784 0.000 0.871 246 R CB 1.032 31.060 30.300 -0.453 0.000 1.170 246 R HN 0.745 nan 8.270 nan 0.000 0.446 247 H N 1.255 120.361 119.070 0.060 0.000 2.690 247 H HA 0.014 4.570 4.556 0.000 0.000 0.365 247 H C 1.338 176.670 175.328 0.007 0.000 1.142 247 H CA -0.342 55.766 56.048 0.100 0.000 1.417 247 H CB 1.543 31.376 29.762 0.119 0.000 1.446 247 H HN 0.288 nan 8.280 nan 0.000 0.599 248 V N 1.945 121.957 119.914 0.163 0.000 2.270 248 V HA -0.288 3.832 4.120 0.000 0.000 0.245 248 V C 1.968 178.059 176.094 -0.004 0.000 1.043 248 V CA 2.218 64.559 62.300 0.068 0.000 1.014 248 V CB -0.382 31.474 31.823 0.056 0.000 0.645 248 V HN 0.856 nan 8.190 nan 0.000 0.447 249 N N 1.501 120.131 118.700 -0.116 0.000 2.173 249 N HA -0.135 4.605 4.740 0.000 0.000 0.184 249 N C 1.194 176.330 175.510 -0.623 0.000 1.025 249 N CA 1.798 54.660 53.050 -0.313 0.000 0.852 249 N CB -0.675 37.545 38.487 -0.444 0.000 0.998 249 N HN 0.618 nan 8.380 nan 0.000 0.427 250 D N -0.687 119.410 120.400 -0.506 0.000 2.395 250 D HA 0.071 4.711 4.640 0.000 0.000 0.213 250 D C 0.417 176.674 176.300 -0.071 0.000 1.110 250 D CA -0.493 53.269 54.000 -0.396 0.000 0.835 250 D CB -0.038 40.639 40.800 -0.205 0.000 0.965 250 D HN -0.025 nan 8.370 nan 0.000 0.505 251 L N -0.655 120.570 121.223 0.004 0.000 4.367 251 L HA -0.230 4.110 4.340 0.000 0.000 0.424 251 L C 0.186 177.103 176.870 0.080 0.000 1.152 251 L CA 0.364 55.239 54.840 0.059 0.000 0.974 251 L CB -2.583 39.509 42.059 0.055 0.000 2.012 251 L HN 0.358 nan 8.230 nan 0.000 0.922 252 M N 0.170 119.852 119.600 0.137 0.000 2.217 252 M HA 0.341 4.821 4.480 0.000 0.000 0.352 252 M C 0.005 176.361 176.300 0.093 0.000 1.376 252 M CA 0.078 55.459 55.300 0.136 0.000 1.107 252 M CB 0.535 33.261 32.600 0.211 0.000 1.723 252 M HN 0.160 nan 8.290 nan 0.000 0.461 253 L N 6.769 128.013 121.223 0.035 0.000 2.261 253 L HA 0.683 5.023 4.340 0.000 0.000 0.289 253 L C -0.769 176.121 176.870 0.033 0.000 1.059 253 L CA 0.556 55.384 54.840 -0.019 0.000 0.816 253 L CB 0.009 42.097 42.059 0.049 0.000 1.191 253 L HN 0.873 nan 8.230 nan 0.000 0.431 254 S N 3.740 119.471 115.700 0.052 0.000 2.611 254 S HA 0.766 5.236 4.470 0.000 0.000 0.268 254 S C -0.793 173.974 174.600 0.279 0.000 1.156 254 S CA -0.837 57.445 58.200 0.137 0.000 0.817 254 S CB 1.123 64.350 63.200 0.045 0.000 1.122 254 S HN 0.645 nan 8.310 nan 0.000 0.466 255 F N -0.932 119.096 119.950 0.129 0.000 2.611 255 F HA 0.920 5.447 4.527 0.000 0.000 0.324 255 F C -1.830 174.045 175.800 0.126 0.000 1.061 255 F CA -1.423 56.669 58.000 0.154 0.000 0.954 255 F CB 0.696 39.736 39.000 0.067 0.000 1.301 255 F HN 0.607 nan 8.300 nan 0.000 0.482 256 Y N 2.245 122.524 120.300 -0.035 0.000 2.429 256 Y HA 0.723 5.273 4.550 0.000 0.000 0.342 256 Y C -0.065 175.876 175.900 0.069 0.000 1.004 256 Y CA -1.285 56.759 58.100 -0.093 0.000 1.075 256 Y CB 2.199 40.588 38.460 -0.118 0.000 1.214 256 Y HN 0.789 nan 8.280 nan 0.000 0.455 257 M N 1.036 120.759 119.600 0.205 0.000 2.484 257 M HA 0.617 5.097 4.480 0.000 0.000 0.289 257 M C -1.469 174.908 176.300 0.129 0.000 1.206 257 M CA -1.218 54.209 55.300 0.211 0.000 0.892 257 M CB 2.183 34.963 32.600 0.300 0.000 1.712 257 M HN 0.174 nan 8.290 nan 0.000 0.462 258 K N 2.727 123.155 120.400 0.047 0.000 2.368 258 K HA 0.296 4.616 4.320 0.000 0.000 0.282 258 K C 0.104 176.499 176.600 -0.341 0.000 1.035 258 K CA 0.165 56.396 56.287 -0.093 0.000 0.973 258 K CB 1.262 33.707 32.500 -0.092 0.000 0.957 258 K HN 0.939 nan 8.250 nan 0.000 0.474 259 T N -0.470 113.734 114.554 -0.583 0.000 2.862 259 T HA 0.298 4.648 4.350 0.000 0.000 0.276 259 T C -1.780 172.249 174.700 -1.118 0.000 0.974 259 T CA -1.774 59.616 62.100 -1.184 0.000 0.966 259 T CB 1.098 69.226 68.868 -1.233 0.000 1.072 259 T HN 0.177 nan 8.240 nan 0.000 0.538 260 P HA 0.114 nan 4.420 nan 0.000 0.225 260 P C 1.367 178.275 177.300 -0.653 0.000 1.148 260 P CA 0.688 63.143 63.100 -1.075 0.000 0.779 260 P CB -0.320 30.544 31.700 -1.393 0.000 0.780 261 G N -1.542 106.925 108.800 -0.555 0.000 2.985 261 G HA2 0.263 4.223 3.960 0.000 0.000 0.209 261 G HA3 0.263 4.223 3.960 0.000 0.000 0.209 261 G C 1.201 176.076 174.900 -0.041 0.000 1.165 261 G CA 0.431 45.549 45.100 0.030 0.000 0.776 261 G HN 0.368 nan 8.290 nan 0.000 0.541 262 G N -0.501 108.149 108.800 -0.250 0.000 2.217 262 G HA2 -0.233 3.727 3.960 0.000 0.000 0.246 262 G HA3 -0.233 3.727 3.960 0.000 0.000 0.246 262 G C 0.345 175.258 174.900 0.021 0.000 0.990 262 G CA 0.368 45.420 45.100 -0.080 0.000 0.627 262 G HN 0.979 nan 8.290 nan 0.000 0.522 263 F N 0.901 120.907 119.950 0.094 0.000 2.411 263 F HA 0.824 5.352 4.527 0.000 0.000 0.324 263 F C -0.047 175.842 175.800 0.148 0.000 1.086 263 F CA -1.985 56.096 58.000 0.134 0.000 1.028 263 F CB 0.648 39.742 39.000 0.157 0.000 1.284 263 F HN -0.096 nan 8.300 nan 0.000 0.501 264 D N 1.332 121.994 120.400 0.437 0.000 2.304 264 D HA 0.366 5.006 4.640 0.000 0.000 0.247 264 D C -0.245 176.323 176.300 0.448 0.000 1.089 264 D CA 0.125 54.347 54.000 0.371 0.000 0.910 264 D CB 1.740 42.844 40.800 0.508 0.000 1.199 264 D HN 0.468 nan 8.370 nan 0.000 0.426 265 I N 1.332 122.068 120.570 0.278 0.000 2.336 265 I HA 0.094 4.264 4.170 0.000 0.000 0.292 265 I C 0.599 176.691 176.117 -0.042 0.000 0.991 265 I CA -0.570 60.871 61.300 0.234 0.000 1.227 265 I CB 1.332 39.519 38.000 0.311 0.000 1.366 265 I HN 0.182 nan 8.210 nan 0.000 0.466 266 E N 6.679 126.742 120.200 -0.230 0.000 2.229 266 E HA 0.193 4.544 4.350 0.000 0.000 0.283 266 E C -1.593 174.798 176.600 -0.349 0.000 1.030 266 E CA -0.459 55.543 56.400 -0.664 0.000 0.836 266 E CB 0.976 30.069 29.700 -1.013 0.000 1.068 266 E HN 0.396 nan 8.360 nan 0.000 0.401 267 F N 4.326 123.901 119.950 -0.625 0.000 2.366 267 F HA 0.531 5.058 4.527 0.000 0.000 0.366 267 F C 0.011 175.616 175.800 -0.325 0.000 1.096 267 F CA -0.224 57.501 58.000 -0.458 0.000 1.060 267 F CB 1.061 39.696 39.000 -0.609 0.000 1.282 267 F HN 0.499 nan 8.300 nan 0.000 0.450 268 G N 2.673 111.277 108.800 -0.328 0.000 2.818 268 G HA2 0.663 4.624 3.960 0.000 0.000 0.286 268 G HA3 0.663 4.624 3.960 0.000 0.000 0.286 268 G C -1.602 173.201 174.900 -0.162 0.000 1.364 268 G CA -0.616 44.389 45.100 -0.158 0.000 0.938 268 G HN 0.917 nan 8.290 nan 0.000 0.490 269 C N -2.458 116.806 119.300 -0.060 0.000 3.318 269 C HA 0.822 5.282 4.460 0.000 0.000 0.322 269 C C 0.069 175.057 174.990 -0.003 0.000 1.398 269 C CA -0.637 58.355 59.018 -0.044 0.000 1.339 269 C CB 0.917 28.649 27.740 -0.014 0.000 1.668 269 C HN 1.065 nan 8.230 nan 0.000 0.462 270 E N -0.322 119.879 120.200 0.002 0.000 2.553 270 E HA -0.129 4.221 4.350 0.000 0.000 0.264 270 E C 0.591 177.206 176.600 0.025 0.000 1.068 270 E CA 0.741 57.154 56.400 0.022 0.000 0.774 270 E CB -1.629 28.097 29.700 0.043 0.000 1.349 270 E HN 1.268 nan 8.360 nan 0.000 0.404 271 G N 1.558 110.363 108.800 0.008 0.000 2.365 271 G HA2 0.103 4.063 3.960 0.000 0.000 0.249 271 G HA3 0.103 4.063 3.960 0.000 0.000 0.249 271 G C 0.293 175.203 174.900 0.017 0.000 1.288 271 G CA -0.156 44.951 45.100 0.013 0.000 0.887 271 G HN 0.229 nan 8.290 nan 0.000 0.524 272 R N 2.363 122.875 120.500 0.020 0.000 2.590 272 R HA 0.127 4.467 4.340 0.000 0.000 0.274 272 R C -0.349 175.956 176.300 0.008 0.000 1.061 272 R CA 0.145 56.260 56.100 0.024 0.000 1.081 272 R CB 0.466 30.784 30.300 0.029 0.000 0.984 272 R HN 0.565 nan 8.270 nan 0.000 0.448 273 Q N 2.295 122.096 119.800 0.002 0.000 2.309 273 Q HA 0.416 4.757 4.340 0.000 0.000 0.264 273 Q C -1.117 174.848 176.000 -0.060 0.000 1.008 273 Q CA -1.018 54.769 55.803 -0.028 0.000 0.853 273 Q CB 2.724 31.459 28.738 -0.005 0.000 1.314 273 Q HN 0.410 nan 8.270 nan 0.000 0.448 274 V N 1.635 121.467 119.914 -0.137 0.000 2.604 274 V HA 0.226 4.346 4.120 0.000 0.000 0.305 274 V C -0.737 175.311 176.094 -0.077 0.000 1.043 274 V CA -0.715 61.455 62.300 -0.217 0.000 0.888 274 V CB 2.080 33.510 31.823 -0.655 0.000 0.995 274 V HN 0.693 nan 8.190 nan 0.000 0.429 275 D N 2.666 123.089 120.400 0.039 0.000 2.349 275 D HA 0.236 4.876 4.640 0.000 0.000 0.232 275 D C 0.528 176.897 176.300 0.116 0.000 1.071 275 D CA -0.291 53.747 54.000 0.064 0.000 0.832 275 D CB 1.756 42.607 40.800 0.084 0.000 1.086 275 D HN 0.494 nan 8.370 nan 0.000 0.504 276 D N 2.869 123.311 120.400 0.070 0.000 2.265 276 D HA -0.116 4.524 4.640 0.000 0.000 0.208 276 D C 1.691 178.057 176.300 0.112 0.000 0.977 276 D CA 0.724 54.784 54.000 0.100 0.000 0.871 276 D CB 0.293 41.120 40.800 0.045 0.000 0.925 276 D HN 0.474 nan 8.370 nan 0.000 0.485 277 R N 0.187 120.738 120.500 0.085 0.000 2.115 277 R HA -0.103 4.237 4.340 0.000 0.000 0.230 277 R C 1.205 177.555 176.300 0.083 0.000 1.111 277 R CA 1.576 57.717 56.100 0.069 0.000 0.976 277 R CB 0.037 30.367 30.300 0.049 0.000 0.870 277 R HN 0.345 nan 8.270 nan 0.000 0.445 278 D N -2.257 118.215 120.400 0.121 0.000 2.479 278 D HA -0.078 4.562 4.640 0.000 0.000 0.216 278 D C 0.131 176.522 176.300 0.151 0.000 1.110 278 D CA -0.463 53.605 54.000 0.113 0.000 0.841 278 D CB -0.240 40.616 40.800 0.093 0.000 1.040 278 D HN 0.106 nan 8.370 nan 0.000 0.505 279 W N 2.274 123.583 121.300 0.014 0.000 2.264 279 W HA 0.202 4.862 4.660 0.000 0.000 0.331 279 W C -0.813 175.712 176.519 0.010 0.000 1.364 279 W CA -0.124 57.231 57.345 0.017 0.000 1.253 279 W CB 0.574 30.041 29.460 0.012 0.000 1.215 279 W HN -0.106 nan 8.180 nan 0.000 0.561 280 I N 6.583 126.777 120.570 -0.626 0.000 2.328 280 I HA 0.151 4.321 4.170 0.000 0.000 0.287 280 I C 0.565 176.343 176.117 -0.565 0.000 1.012 280 I CA -0.725 60.308 61.300 -0.445 0.000 1.195 280 I CB 0.301 38.087 38.000 -0.356 0.000 1.350 280 I HN 0.385 nan 8.210 nan 0.000 0.464 281 A N 8.313 131.021 122.820 -0.187 0.000 2.444 281 A HA 0.455 4.776 4.320 0.000 0.000 0.273 281 A C 0.450 177.992 177.584 -0.070 0.000 1.136 281 A CA -0.038 51.983 52.037 -0.026 0.000 0.799 281 A CB 0.131 19.169 19.000 0.063 0.000 1.081 281 A HN 0.782 nan 8.150 nan 0.000 0.509 282 R N 0.874 121.345 120.500 -0.048 0.000 2.950 282 R HA 0.478 4.818 4.340 0.000 0.000 0.253 282 R C -0.616 175.707 176.300 0.039 0.000 1.168 282 R CA -0.848 55.230 56.100 -0.036 0.000 1.014 282 R CB 1.463 31.712 30.300 -0.084 0.000 1.228 282 R HN 0.835 nan 8.270 nan 0.000 0.487 283 E N 0.975 121.213 120.200 0.063 0.000 2.146 283 E HA 0.210 4.560 4.350 0.000 0.000 0.282 283 E C -1.091 175.575 176.600 0.111 0.000 0.989 283 E CA -0.252 56.235 56.400 0.146 0.000 0.799 283 E CB 1.209 31.043 29.700 0.224 0.000 1.088 283 E HN 0.363 nan 8.360 nan 0.000 0.397 284 S N 2.492 118.260 115.700 0.112 0.000 2.562 284 S HA 0.147 4.617 4.470 0.000 0.000 0.275 284 S C 0.664 175.307 174.600 0.072 0.000 1.281 284 S CA -0.385 57.856 58.200 0.069 0.000 1.045 284 S CB 1.420 64.636 63.200 0.027 0.000 0.962 284 S HN 0.722 nan 8.310 nan 0.000 0.503 285 T N -1.371 113.214 114.554 0.052 0.000 3.084 285 T HA 0.645 4.995 4.350 0.000 0.000 0.270 285 T C 0.007 174.727 174.700 0.033 0.000 1.008 285 T CA -0.085 62.038 62.100 0.039 0.000 0.900 285 T CB 0.135 69.025 68.868 0.036 0.000 1.084 285 T HN 0.662 nan 8.240 nan 0.000 0.538 286 A N -0.081 122.765 122.820 0.042 0.000 2.594 286 A HA 0.729 5.049 4.320 0.000 0.000 0.295 286 A C 0.560 178.185 177.584 0.069 0.000 1.071 286 A CA -0.550 51.518 52.037 0.052 0.000 0.685 286 A CB 1.098 20.134 19.000 0.061 0.000 1.285 286 A HN 0.010 nan 8.150 nan 0.000 0.405 287 V N 0.385 120.355 119.914 0.093 0.000 2.446 287 V HA 0.087 4.207 4.120 0.000 0.000 0.244 287 V C 0.921 177.174 176.094 0.266 0.000 1.039 287 V CA 2.085 64.478 62.300 0.154 0.000 1.045 287 V CB 0.024 31.926 31.823 0.131 0.000 0.681 287 V HN 0.775 nan 8.190 nan 0.000 0.459 288 S N -1.337 114.480 115.700 0.195 0.000 2.570 288 S HA 0.562 5.032 4.470 0.000 0.000 0.286 288 S C 0.368 175.011 174.600 0.071 0.000 1.099 288 S CA -0.621 57.666 58.200 0.145 0.000 0.913 288 S CB 2.442 65.722 63.200 0.135 0.000 1.085 288 S HN 0.106 nan 8.310 nan 0.000 0.480 289 L N 0.964 122.197 121.223 0.016 0.000 2.072 289 L HA 0.158 4.498 4.340 0.000 0.000 0.205 289 L C 0.518 177.507 176.870 0.198 0.000 1.079 289 L CA 0.915 55.815 54.840 0.101 0.000 0.752 289 L CB -0.006 42.144 42.059 0.153 0.000 0.906 289 L HN 0.658 nan 8.230 nan 0.000 0.436 290 W N -2.171 119.124 121.300 -0.008 0.000 3.066 290 W HA 0.520 5.180 4.660 0.000 0.000 0.330 290 W C 0.283 176.749 176.519 -0.088 0.000 1.253 290 W CA -0.425 56.902 57.345 -0.031 0.000 1.187 290 W CB -0.037 29.401 29.460 -0.037 0.000 1.434 290 W HN 0.133 nan 8.180 nan 0.000 0.572 291 G N 1.107 110.027 108.800 0.200 0.000 2.564 291 G HA2 -0.354 3.606 3.960 0.000 0.000 0.273 291 G HA3 -0.354 3.606 3.960 0.000 0.000 0.273 291 G C -0.028 174.812 174.900 -0.100 0.000 1.242 291 G CA 1.151 46.255 45.100 0.006 0.000 0.951 291 G HN 1.637 nan 8.290 nan 0.000 0.564 292 H N -0.508 118.449 119.070 -0.189 0.000 2.677 292 H HA -0.127 4.429 4.556 0.000 0.000 0.321 292 H C 0.068 175.296 175.328 -0.167 0.000 1.171 292 H CA 0.663 56.556 56.048 -0.258 0.000 1.139 292 H CB -0.912 28.718 29.762 -0.222 0.000 1.515 292 H HN 0.718 nan 8.280 nan 0.000 0.423 293 D N 0.322 120.705 120.400 -0.028 0.000 2.359 293 D HA 0.008 4.648 4.640 0.000 0.000 0.250 293 D C 0.414 176.678 176.300 -0.060 0.000 1.264 293 D CA -0.104 53.906 54.000 0.016 0.000 0.911 293 D CB -0.104 40.711 40.800 0.024 0.000 1.056 293 D HN 0.319 nan 8.370 nan 0.000 0.499 294 F N 1.310 121.252 119.950 -0.014 0.000 2.804 294 F HA -0.017 4.510 4.527 0.000 0.000 0.303 294 F C 2.444 178.235 175.800 -0.015 0.000 1.154 294 F CA 0.496 58.469 58.000 -0.044 0.000 1.401 294 F CB 0.103 39.045 39.000 -0.096 0.000 1.106 294 F HN 0.388 nan 8.300 nan 0.000 0.568 295 T N -3.704 110.924 114.554 0.124 0.000 3.081 295 T HA -0.053 4.297 4.350 0.000 0.000 0.255 295 T C 2.069 176.799 174.700 0.049 0.000 1.113 295 T CA 0.862 63.010 62.100 0.080 0.000 1.082 295 T CB -0.874 68.031 68.868 0.061 0.000 0.939 295 T HN 0.184 nan 8.240 nan 0.000 0.506 296 V N 0.306 120.236 119.914 0.026 0.000 2.568 296 V HA 0.168 4.288 4.120 0.000 0.000 0.253 296 V C 1.746 177.851 176.094 0.019 0.000 1.072 296 V CA 0.657 62.963 62.300 0.011 0.000 1.084 296 V CB -1.898 29.919 31.823 -0.011 0.000 0.676 296 V HN 0.546 nan 8.190 nan 0.000 0.469 297 G N 0.000 108.820 108.800 0.034 0.000 5.446 297 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 297 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 297 G CA 0.000 45.122 45.100 0.036 0.000 0.502 297 G HN 0.000 nan 8.290 nan 0.000 0.925