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 3ipo_1_A DATA FIRST_RESID 24 DATA SEQUENCE AELAKPLTLD QLQQQNGKAI DTRPSAFYNG WPQTLNGPSG HELAALNLSA DATA SEQUENCE SWLDKMSTEQ LNAWIKQHNL KTDAPVALYG NDKDVDAVKT RLQKAGLTHI DATA SEQUENCE SILSDALSEP SRLQKLPHFE QLVYPQWLHD LQQGKEVTAK PAGDWKVIEA DATA SEQUENCE AWGAPKLYLI SHIPGADYID TNEVESEPLW NKVSDEQLKA MLAKHGIRHD DATA SEQUENCE TTVILYGRDV YAAARVAQIM LYAGVKDVRL LDGGWQTWSD AGLPVERGTP DATA SEQUENCE PKVKAEPDFG VKIPAQPQLM LDMEQARGLL HRQDASLVSI RSWPEFIGTT DATA SEQUENCE SGYSYIKPKG EIAGARWGHA GSDSTHMEDF HNPDGTMRSA DDITAMWKAW DATA SEQUENCE NIKPEQQVSF YXGTGWRASE TFMYARAMGW KNVSVYDGGW YEWSSDPKNP DATA SEQUENCE VATGERGPDS SK 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.565 177.584 -0.031 0.000 1.274 24 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 24 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 25 E N 1.393 121.577 120.200 -0.028 0.000 2.413 25 E HA 0.294 4.644 4.350 0.001 0.000 0.263 25 E C -0.610 175.976 176.600 -0.024 0.000 1.015 25 E CA -0.399 55.987 56.400 -0.024 0.000 0.916 25 E CB 0.555 30.244 29.700 -0.019 0.000 0.947 25 E HN 0.296 nan 8.360 nan 0.000 0.440 26 L N 2.415 123.628 121.223 -0.018 0.000 2.543 26 L HA -0.020 4.321 4.340 0.001 0.000 0.285 26 L C 0.678 177.546 176.870 -0.003 0.000 1.236 26 L CA 0.730 55.564 54.840 -0.011 0.000 0.871 26 L CB -0.214 41.841 42.059 -0.007 0.000 1.121 26 L HN 0.672 nan 8.230 nan 0.000 0.501 27 A N 4.821 127.646 122.820 0.009 0.000 2.262 27 A HA 0.187 4.508 4.320 0.001 0.000 0.273 27 A C 0.467 178.067 177.584 0.027 0.000 1.202 27 A CA -0.364 51.689 52.037 0.028 0.000 0.811 27 A CB 0.055 19.094 19.000 0.066 0.000 1.159 27 A HN 0.694 nan 8.150 nan 0.000 0.505 28 K N 0.903 121.322 120.400 0.033 0.000 2.489 28 K HA 0.079 4.399 4.320 0.001 0.000 0.278 28 K C -2.250 174.363 176.600 0.022 0.000 1.000 28 K CA -1.024 55.277 56.287 0.023 0.000 1.012 28 K CB 0.133 32.646 32.500 0.022 0.000 0.903 28 K HN 0.364 nan 8.250 nan 0.000 0.485 29 P HA 0.022 nan 4.420 nan 0.000 0.267 29 P C -0.711 176.598 177.300 0.014 0.000 1.200 29 P CA 0.290 63.398 63.100 0.014 0.000 0.772 29 P CB 0.528 32.233 31.700 0.008 0.000 0.855 30 L N 1.661 122.894 121.223 0.016 0.000 2.381 30 L HA 0.410 4.751 4.340 0.001 0.000 0.268 30 L C 1.085 177.959 176.870 0.006 0.000 0.997 30 L CA -0.774 54.074 54.840 0.012 0.000 0.818 30 L CB 2.205 44.276 42.059 0.019 0.000 1.310 30 L HN 0.370 nan 8.230 nan 0.000 0.416 31 T N -1.186 113.367 114.554 -0.002 0.000 2.828 31 T HA 0.172 4.523 4.350 0.001 0.000 0.290 31 T C 0.996 175.691 174.700 -0.008 0.000 1.019 31 T CA -0.608 61.486 62.100 -0.011 0.000 1.031 31 T CB 1.160 70.019 68.868 -0.015 0.000 1.001 31 T HN 0.484 nan 8.240 nan 0.000 0.531 32 L N 0.942 122.153 121.223 -0.020 0.000 2.013 32 L HA -0.078 4.263 4.340 0.001 0.000 0.212 32 L C 2.266 179.133 176.870 -0.006 0.000 1.073 32 L CA 2.490 57.322 54.840 -0.014 0.000 0.753 32 L CB -1.202 40.838 42.059 -0.032 0.000 0.890 32 L HN 0.985 nan 8.230 nan 0.000 0.432 33 D N -1.275 119.118 120.400 -0.011 0.000 2.116 33 D HA -0.266 4.374 4.640 0.001 0.000 0.193 33 D C 2.132 178.430 176.300 -0.004 0.000 0.998 33 D CA 1.801 55.797 54.000 -0.008 0.000 0.836 33 D CB -0.080 40.713 40.800 -0.011 0.000 0.951 33 D HN 0.578 nan 8.370 nan 0.000 0.449 34 Q N -0.822 118.976 119.800 -0.004 0.000 2.119 34 Q HA -0.081 4.259 4.340 0.001 0.000 0.201 34 Q C 2.214 178.215 176.000 0.001 0.000 0.972 34 Q CA 0.813 56.615 55.803 -0.002 0.000 0.847 34 Q CB -0.119 28.617 28.738 -0.002 0.000 0.903 34 Q HN 0.324 nan 8.270 nan 0.000 0.433 35 L N 0.868 122.095 121.223 0.007 0.000 2.017 35 L HA -0.233 4.107 4.340 0.001 0.000 0.208 35 L C 2.118 178.995 176.870 0.012 0.000 1.073 35 L CA 1.816 56.664 54.840 0.014 0.000 0.745 35 L CB -0.294 41.782 42.059 0.027 0.000 0.894 35 L HN 0.160 nan 8.230 nan 0.000 0.432 36 Q N -0.830 118.977 119.800 0.011 0.000 2.030 36 Q HA -0.299 4.042 4.340 0.001 0.000 0.204 36 Q C 2.277 178.278 176.000 0.003 0.000 0.986 36 Q CA 2.327 58.136 55.803 0.009 0.000 0.843 36 Q CB -0.302 28.441 28.738 0.007 0.000 0.904 36 Q HN 0.635 nan 8.270 nan 0.000 0.420 37 Q N 0.195 119.995 119.800 -0.001 0.000 2.181 37 Q HA -0.190 4.151 4.340 0.001 0.000 0.205 37 Q C 1.338 177.333 176.000 -0.008 0.000 0.980 37 Q CA 1.108 56.908 55.803 -0.005 0.000 0.862 37 Q CB 0.081 28.815 28.738 -0.006 0.000 0.905 37 Q HN 0.418 nan 8.270 nan 0.000 0.429 38 Q N 0.087 119.882 119.800 -0.009 0.000 2.246 38 Q HA 0.040 4.380 4.340 0.001 0.000 0.202 38 Q C -0.353 175.638 176.000 -0.015 0.000 0.883 38 Q CA -0.315 55.477 55.803 -0.017 0.000 0.952 38 Q CB 0.255 28.979 28.738 -0.023 0.000 1.078 38 Q HN 0.283 nan 8.270 nan 0.000 0.493 39 N N 0.582 119.279 118.700 -0.006 0.000 2.707 39 N HA -0.181 4.560 4.740 0.001 0.000 0.253 39 N C -0.395 175.117 175.510 0.003 0.000 0.998 39 N CA 0.792 53.842 53.050 -0.001 0.000 0.751 39 N CB -0.726 37.758 38.487 -0.005 0.000 0.920 39 N HN 0.450 nan 8.380 nan 0.000 0.539 40 G N -0.191 108.615 108.800 0.010 0.000 2.537 40 G HA2 0.615 4.575 3.960 0.001 0.000 0.297 40 G HA3 0.615 4.575 3.960 0.001 0.000 0.297 40 G C -0.587 174.334 174.900 0.036 0.000 1.310 40 G CA -0.619 44.494 45.100 0.022 0.000 1.027 40 G HN 0.295 nan 8.290 nan 0.000 0.505 41 K N -0.660 119.769 120.400 0.049 0.000 2.371 41 K HA 0.602 4.922 4.320 0.001 0.000 0.251 41 K C -0.520 176.132 176.600 0.086 0.000 0.934 41 K CA -0.599 55.727 56.287 0.063 0.000 0.798 41 K CB 2.463 34.994 32.500 0.052 0.000 1.204 41 K HN 0.575 nan 8.250 nan 0.000 0.427 42 A N 3.483 126.373 122.820 0.117 0.000 2.328 42 A HA 0.518 4.839 4.320 0.001 0.000 0.284 42 A C -0.394 177.277 177.584 0.144 0.000 1.160 42 A CA -0.448 51.694 52.037 0.174 0.000 0.818 42 A CB -0.087 19.063 19.000 0.250 0.000 1.087 42 A HN 0.690 nan 8.150 nan 0.000 0.504 43 I N 2.398 123.013 120.570 0.075 0.000 2.389 43 I HA 0.206 4.377 4.170 0.001 0.000 0.288 43 I C -0.703 175.204 176.117 -0.351 0.000 0.999 43 I CA -0.600 60.664 61.300 -0.061 0.000 1.129 43 I CB 1.866 39.841 38.000 -0.041 0.000 1.288 43 I HN 0.592 nan 8.210 nan 0.000 0.444 44 D N 4.935 125.040 120.400 -0.492 0.000 2.347 44 D HA 0.099 4.739 4.640 0.001 0.000 0.235 44 D C 1.010 176.958 176.300 -0.586 0.000 1.149 44 D CA -0.154 53.308 54.000 -0.896 0.000 0.850 44 D CB 1.455 42.056 40.800 -0.332 0.000 1.061 44 D HN 0.656 nan 8.370 nan 0.000 0.487 45 T N 0.922 115.141 114.554 -0.559 0.000 3.144 45 T HA 0.189 4.539 4.350 0.001 0.000 0.249 45 T C 0.973 175.429 174.700 -0.406 0.000 1.089 45 T CA -0.243 61.581 62.100 -0.459 0.000 0.989 45 T CB 0.213 68.868 68.868 -0.355 0.000 0.992 45 T HN 0.182 nan 8.240 nan 0.000 0.540 46 R N 1.810 122.123 120.500 -0.313 0.000 2.615 46 R HA 0.405 4.745 4.340 0.001 0.000 0.270 46 R C -2.568 173.633 176.300 -0.165 0.000 1.081 46 R CA -2.087 53.919 56.100 -0.158 0.000 1.154 46 R CB -0.116 30.185 30.300 0.001 0.000 1.063 46 R HN 0.148 nan 8.270 nan 0.000 0.519 47 P HA -0.104 nan 4.420 nan 0.000 0.269 47 P C 0.372 177.672 177.300 -0.000 0.000 1.211 47 P CA 0.364 63.435 63.100 -0.048 0.000 0.781 47 P CB 0.589 32.303 31.700 0.023 0.000 0.877 48 S N 1.578 117.315 115.700 0.062 0.000 2.399 48 S HA -0.204 4.266 4.470 0.001 0.000 0.231 48 S C 1.933 176.579 174.600 0.076 0.000 1.022 48 S CA 1.081 59.374 58.200 0.155 0.000 0.983 48 S CB -1.433 61.921 63.200 0.256 0.000 0.803 48 S HN 0.482 nan 8.310 nan 0.000 0.480 49 A N 1.491 124.202 122.820 -0.181 0.000 1.927 49 A HA -0.054 4.267 4.320 0.001 0.000 0.220 49 A C 1.893 179.310 177.584 -0.277 0.000 1.185 49 A CA 1.902 53.736 52.037 -0.338 0.000 0.639 49 A CB -1.110 17.187 19.000 -1.171 0.000 0.820 49 A HN 0.576 nan 8.150 nan 0.000 0.451 50 F N -2.376 117.556 119.950 -0.030 0.000 2.187 50 F HA 0.003 4.530 4.527 0.001 0.000 0.295 50 F C 2.179 178.017 175.800 0.063 0.000 1.091 50 F CA 0.701 58.698 58.000 -0.006 0.000 1.308 50 F CB -1.273 37.698 39.000 -0.047 0.000 1.030 50 F HN 0.373 nan 8.300 nan 0.000 0.487 51 Y N 1.733 122.123 120.300 0.150 0.000 2.193 51 Y HA -0.288 4.263 4.550 0.001 0.000 0.285 51 Y C 2.057 178.081 175.900 0.207 0.000 1.166 51 Y CA 1.773 59.965 58.100 0.154 0.000 1.181 51 Y CB -0.674 37.803 38.460 0.028 0.000 0.976 51 Y HN -0.030 nan 8.280 nan 0.000 0.520 52 N N -0.337 118.456 118.700 0.154 0.000 2.381 52 N HA 0.008 4.749 4.740 0.001 0.000 0.182 52 N C 1.586 176.979 175.510 -0.194 0.000 1.025 52 N CA 1.498 54.578 53.050 0.050 0.000 0.888 52 N CB 0.013 38.593 38.487 0.154 0.000 0.965 52 N HN 0.622 nan 8.380 nan 0.000 0.438 53 G N -1.297 107.261 108.800 -0.402 0.000 2.624 53 G HA2 -0.166 3.794 3.960 0.001 0.000 0.190 53 G HA3 -0.166 3.794 3.960 0.001 0.000 0.190 53 G C -0.605 173.481 174.900 -1.358 0.000 1.008 53 G CA -0.638 43.858 45.100 -1.007 0.000 0.731 53 G HN 0.192 nan 8.290 nan 0.000 0.478 54 W N 2.981 123.812 121.300 -0.781 0.000 2.347 54 W HA 0.470 5.131 4.660 0.001 0.000 0.333 54 W C -1.903 174.621 176.519 0.008 0.000 1.383 54 W CA -1.160 56.009 57.345 -0.293 0.000 1.283 54 W CB 0.278 29.681 29.460 -0.094 0.000 1.253 54 W HN 0.048 nan 8.180 nan 0.000 0.563 55 P HA 0.035 nan 4.420 nan 0.000 0.275 55 P C 0.119 177.644 177.300 0.375 0.000 1.228 55 P CA -0.028 63.233 63.100 0.268 0.000 0.786 55 P CB 0.919 32.744 31.700 0.207 0.000 0.927 56 Q N 0.145 120.024 119.800 0.132 0.000 2.172 56 Q HA -0.020 4.320 4.340 0.001 0.000 0.200 56 Q C 0.719 176.754 176.000 0.058 0.000 0.964 56 Q CA 1.227 56.975 55.803 -0.092 0.000 0.855 56 Q CB -0.137 28.377 28.738 -0.374 0.000 0.918 56 Q HN 0.627 nan 8.270 nan 0.000 0.444 57 T N -2.407 112.196 114.554 0.081 0.000 2.906 57 T HA 0.446 4.796 4.350 0.001 0.000 0.295 57 T C -0.484 174.297 174.700 0.134 0.000 1.075 57 T CA -1.068 61.090 62.100 0.097 0.000 1.005 57 T CB 1.520 70.413 68.868 0.041 0.000 1.136 57 T HN 0.020 nan 8.240 nan 0.000 0.498 58 L N 2.900 124.205 121.223 0.137 0.000 2.559 58 L HA 0.185 4.526 4.340 0.001 0.000 0.282 58 L C 0.964 177.901 176.870 0.112 0.000 1.232 58 L CA 1.495 56.423 54.840 0.147 0.000 0.885 58 L CB -1.030 41.100 42.059 0.119 0.000 1.131 58 L HN 1.046 nan 8.230 nan 0.000 0.498 59 N N 0.617 119.389 118.700 0.120 0.000 2.863 59 N HA -0.195 4.546 4.740 0.001 0.000 0.245 59 N C 0.609 176.157 175.510 0.063 0.000 1.001 59 N CA 0.559 53.659 53.050 0.084 0.000 0.901 59 N CB -1.379 37.145 38.487 0.063 0.000 1.124 59 N HN 0.876 nan 8.380 nan 0.000 0.582 60 G N 1.087 109.930 108.800 0.071 0.000 2.651 60 G HA2 0.412 4.373 3.960 0.001 0.000 0.260 60 G HA3 0.412 4.373 3.960 0.001 0.000 0.260 60 G C -2.008 172.907 174.900 0.024 0.000 1.216 60 G CA -0.610 44.515 45.100 0.041 0.000 0.913 60 G HN -0.015 nan 8.290 nan 0.000 0.535 61 P HA 0.120 nan 4.420 nan 0.000 0.266 61 P C -0.511 176.766 177.300 -0.039 0.000 1.195 61 P CA 0.102 63.185 63.100 -0.027 0.000 0.768 61 P CB 1.302 32.978 31.700 -0.040 0.000 0.838 62 S N 1.790 117.439 115.700 -0.084 0.000 2.601 62 S HA 0.634 5.104 4.470 0.001 0.000 0.312 62 S C 0.072 174.538 174.600 -0.223 0.000 1.107 62 S CA 0.429 58.525 58.200 -0.174 0.000 1.129 62 S CB -0.758 62.329 63.200 -0.188 0.000 0.982 62 S HN 0.971 nan 8.310 nan 0.000 0.469 63 G N 3.864 112.539 108.800 -0.210 0.000 2.352 63 G HA2 0.058 4.018 3.960 0.001 0.000 0.324 63 G HA3 0.058 4.018 3.960 0.001 0.000 0.324 63 G C -0.997 173.816 174.900 -0.146 0.000 1.249 63 G CA -0.346 44.595 45.100 -0.264 0.000 1.053 63 G HN 1.111 nan 8.290 nan 0.000 0.492 64 H N -0.176 118.794 119.070 -0.167 0.000 2.797 64 H HA 0.745 5.302 4.556 0.001 0.000 0.362 64 H C -0.536 174.780 175.328 -0.021 0.000 1.183 64 H CA -0.666 55.371 56.048 -0.018 0.000 1.197 64 H CB 1.300 31.017 29.762 -0.074 0.000 1.835 64 H HN 0.521 nan 8.280 nan 0.000 0.567 65 E N 1.102 121.421 120.200 0.198 0.000 2.392 65 E HA -0.003 4.347 4.350 0.001 0.000 0.264 65 E C 0.151 176.843 176.600 0.154 0.000 1.024 65 E CA -0.663 55.777 56.400 0.067 0.000 0.903 65 E CB 1.240 30.934 29.700 -0.009 0.000 0.963 65 E HN 0.376 nan 8.360 nan 0.000 0.432 66 L N 2.435 123.688 121.223 0.050 0.000 2.776 66 L HA -0.172 4.169 4.340 0.001 0.000 0.283 66 L C 0.894 177.842 176.870 0.130 0.000 1.194 66 L CA 1.590 56.470 54.840 0.066 0.000 0.947 66 L CB -0.802 41.270 42.059 0.023 0.000 1.255 66 L HN 0.747 nan 8.230 nan 0.000 0.481 67 A N 2.817 125.740 122.820 0.172 0.000 2.979 67 A HA -0.154 4.166 4.320 0.001 0.000 0.260 67 A C 0.982 178.681 177.584 0.192 0.000 1.282 67 A CA 0.958 53.094 52.037 0.164 0.000 0.971 67 A CB -2.442 16.618 19.000 0.100 0.000 1.124 67 A HN 2.098 nan 8.150 nan 0.000 0.826 68 A N -0.390 122.598 122.820 0.280 0.000 2.483 68 A HA 0.505 4.826 4.320 0.001 0.000 0.238 68 A C 0.592 178.301 177.584 0.208 0.000 1.070 68 A CA 0.597 52.801 52.037 0.278 0.000 0.770 68 A CB 0.022 19.282 19.000 0.433 0.000 1.008 68 A HN 1.089 nan 8.150 nan 0.000 0.497 69 L N 1.554 122.837 121.223 0.100 0.000 2.439 69 L HA 0.333 4.673 4.340 0.001 0.000 0.259 69 L C 0.844 177.605 176.870 -0.183 0.000 1.129 69 L CA -0.401 54.424 54.840 -0.025 0.000 0.803 69 L CB 0.649 42.693 42.059 -0.026 0.000 1.161 69 L HN 0.856 nan 8.230 nan 0.000 0.462 70 N N 1.483 119.943 118.700 -0.401 0.000 2.479 70 N HA 0.399 5.140 4.740 0.001 0.000 0.261 70 N C -1.652 173.645 175.510 -0.355 0.000 0.979 70 N CA -0.583 52.089 53.050 -0.630 0.000 0.930 70 N CB 1.326 39.074 38.487 -1.233 0.000 1.172 70 N HN 0.304 nan 8.380 nan 0.000 0.499 71 L N 3.675 124.533 121.223 -0.608 0.000 2.417 71 L HA 0.312 4.653 4.340 0.001 0.000 0.259 71 L C -0.383 175.852 176.870 -1.059 0.000 1.023 71 L CA -0.288 54.011 54.840 -0.901 0.000 0.901 71 L CB 1.024 42.545 42.059 -0.897 0.000 1.227 71 L HN 0.387 nan 8.230 nan 0.000 0.454 72 S N 2.682 117.290 115.700 -1.819 0.000 2.531 72 S HA 0.432 4.903 4.470 0.001 0.000 0.279 72 S C 1.633 175.694 174.600 -0.898 0.000 1.305 72 S CA 0.226 57.591 58.200 -1.391 0.000 1.058 72 S CB 1.137 63.231 63.200 -1.843 0.000 0.899 72 S HN 0.825 nan 8.310 nan 0.000 0.493 73 A N 4.434 126.929 122.820 -0.542 0.000 1.948 73 A HA -0.109 4.212 4.320 0.001 0.000 0.220 73 A C 2.386 179.812 177.584 -0.263 0.000 1.177 73 A CA 2.250 54.085 52.037 -0.338 0.000 0.636 73 A CB -1.366 17.484 19.000 -0.249 0.000 0.815 73 A HN 1.309 nan 8.150 nan 0.000 0.449 74 S N -1.479 114.053 115.700 -0.281 0.000 2.469 74 S HA -0.167 4.304 4.470 0.001 0.000 0.238 74 S C 1.495 176.104 174.600 0.015 0.000 0.998 74 S CA 1.086 59.208 58.200 -0.131 0.000 0.957 74 S CB -0.639 62.506 63.200 -0.091 0.000 0.764 74 S HN 0.722 nan 8.310 nan 0.000 0.514 75 W N 1.510 122.717 121.300 -0.154 0.000 2.658 75 W HA 0.397 5.057 4.660 0.001 0.000 0.263 75 W C 1.815 178.239 176.519 -0.158 0.000 1.274 75 W CA -0.886 56.363 57.345 -0.160 0.000 1.343 75 W CB -1.228 28.109 29.460 -0.205 0.000 1.106 75 W HN 0.334 nan 8.180 nan 0.000 0.615 76 L N 1.142 122.372 121.223 0.012 0.000 2.127 76 L HA -0.248 4.092 4.340 0.001 0.000 0.211 76 L C 2.115 178.969 176.870 -0.026 0.000 1.089 76 L CA 1.951 56.765 54.840 -0.043 0.000 0.757 76 L CB -0.948 41.051 42.059 -0.100 0.000 0.899 76 L HN -0.030 nan 8.230 nan 0.000 0.434 77 D N -0.419 119.972 120.400 -0.015 0.000 2.363 77 D HA -0.145 4.496 4.640 0.001 0.000 0.220 77 D C 1.246 177.541 176.300 -0.008 0.000 0.994 77 D CA 0.765 54.755 54.000 -0.016 0.000 0.890 77 D CB -0.112 40.677 40.800 -0.018 0.000 0.906 77 D HN 0.233 nan 8.370 nan 0.000 0.530 78 K N -0.576 119.826 120.400 0.002 0.000 2.537 78 K HA 0.323 4.643 4.320 0.001 0.000 0.206 78 K C -0.127 176.462 176.600 -0.018 0.000 1.041 78 K CA -0.207 56.075 56.287 -0.008 0.000 1.090 78 K CB 0.537 33.031 32.500 -0.010 0.000 0.833 78 K HN 0.081 nan 8.250 nan 0.000 0.493 79 M N 1.601 121.190 119.600 -0.018 0.000 2.046 79 M HA 0.162 4.643 4.480 0.001 0.000 0.309 79 M C -0.078 176.209 176.300 -0.022 0.000 0.935 79 M CA -0.625 54.659 55.300 -0.026 0.000 0.915 79 M CB 1.781 34.355 32.600 -0.042 0.000 1.474 79 M HN 0.025 nan 8.290 nan 0.000 0.415 80 S N 1.416 117.108 115.700 -0.015 0.000 2.606 80 S HA 0.182 4.652 4.470 0.001 0.000 0.257 80 S C 1.096 175.693 174.600 -0.006 0.000 1.327 80 S CA -0.057 58.137 58.200 -0.011 0.000 0.984 80 S CB 0.584 63.780 63.200 -0.008 0.000 0.941 80 S HN 0.695 nan 8.310 nan 0.000 0.576 81 T N 1.280 115.832 114.554 -0.004 0.000 2.665 81 T HA -0.159 4.192 4.350 0.001 0.000 0.268 81 T C 1.648 176.356 174.700 0.013 0.000 1.035 81 T CA 2.087 64.188 62.100 0.002 0.000 1.151 81 T CB -0.633 68.235 68.868 -0.000 0.000 0.862 81 T HN 0.743 nan 8.240 nan 0.000 0.438 82 E N 0.808 121.015 120.200 0.011 0.000 2.150 82 E HA -0.123 4.228 4.350 0.001 0.000 0.193 82 E C 2.526 179.144 176.600 0.030 0.000 0.985 82 E CA 0.753 57.163 56.400 0.018 0.000 0.814 82 E CB -0.123 29.582 29.700 0.009 0.000 0.752 82 E HN 0.595 nan 8.360 nan 0.000 0.466 83 Q N 0.365 120.181 119.800 0.026 0.000 2.084 83 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 83 Q C 2.293 178.348 176.000 0.093 0.000 0.978 83 Q CA 0.902 56.730 55.803 0.043 0.000 0.844 83 Q CB -0.114 28.634 28.738 0.016 0.000 0.898 83 Q HN 0.171 nan 8.270 nan 0.000 0.426 84 L N 1.415 122.678 121.223 0.067 0.000 2.017 84 L HA -0.173 4.168 4.340 0.001 0.000 0.208 84 L C 1.624 178.596 176.870 0.171 0.000 1.073 84 L CA 1.737 56.633 54.840 0.094 0.000 0.745 84 L CB -0.640 41.428 42.059 0.015 0.000 0.894 84 L HN 0.142 nan 8.230 nan 0.000 0.432 85 N N 0.193 118.957 118.700 0.106 0.000 2.104 85 N HA -0.159 4.582 4.740 0.001 0.000 0.190 85 N C 1.810 177.384 175.510 0.107 0.000 1.024 85 N CA 1.641 54.748 53.050 0.095 0.000 0.853 85 N CB -0.478 38.040 38.487 0.051 0.000 1.008 85 N HN 0.539 nan 8.380 nan 0.000 0.424 86 A N -0.381 122.501 122.820 0.104 0.000 1.930 86 A HA -0.125 4.196 4.320 0.001 0.000 0.217 86 A C 2.194 179.851 177.584 0.122 0.000 1.175 86 A CA 1.056 53.138 52.037 0.075 0.000 0.627 86 A CB -1.069 17.959 19.000 0.047 0.000 0.815 86 A HN 0.536 nan 8.150 nan 0.000 0.443 87 W N 0.463 121.781 121.300 0.029 0.000 2.381 87 W HA -0.113 4.548 4.660 0.001 0.000 0.301 87 W C 1.709 178.335 176.519 0.178 0.000 1.205 87 W CA 1.676 59.092 57.345 0.119 0.000 1.285 87 W CB -0.115 29.398 29.460 0.088 0.000 1.133 87 W HN 0.287 nan 8.180 nan 0.000 0.521 88 I N 0.896 121.709 120.570 0.406 0.000 2.127 88 I HA -0.377 3.794 4.170 0.001 0.000 0.241 88 I C 2.579 178.703 176.117 0.013 0.000 1.075 88 I CA 1.410 62.846 61.300 0.227 0.000 1.334 88 I CB -0.592 37.540 38.000 0.220 0.000 1.040 88 I HN -0.155 nan 8.210 nan 0.000 0.405 89 K N 0.427 120.830 120.400 0.005 0.000 2.026 89 K HA -0.256 4.065 4.320 0.001 0.000 0.208 89 K C 2.008 178.520 176.600 -0.146 0.000 1.048 89 K CA 1.521 57.775 56.287 -0.055 0.000 0.929 89 K CB -0.576 31.901 32.500 -0.039 0.000 0.713 89 K HN 0.456 nan 8.250 nan 0.000 0.439 90 Q N 0.191 119.859 119.800 -0.220 0.000 2.291 90 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 90 Q C 0.846 176.471 176.000 -0.626 0.000 0.976 90 Q CA 1.245 56.807 55.803 -0.402 0.000 0.875 90 Q CB 0.114 28.564 28.738 -0.480 0.000 0.927 90 Q HN 0.456 nan 8.270 nan 0.000 0.450 91 H N -0.279 118.522 119.070 -0.449 0.000 2.549 91 H HA 0.186 4.742 4.556 0.001 0.000 0.279 91 H C -0.269 174.894 175.328 -0.274 0.000 1.018 91 H CA 0.217 55.986 56.048 -0.464 0.000 1.175 91 H CB 0.269 29.535 29.762 -0.826 0.000 1.485 91 H HN 0.386 nan 8.280 nan 0.000 0.543 92 N N 0.901 119.517 118.700 -0.139 0.000 2.738 92 N HA -0.166 4.575 4.740 0.001 0.000 0.249 92 N C -0.904 174.581 175.510 -0.042 0.000 1.047 92 N CA -0.031 52.970 53.050 -0.082 0.000 0.707 92 N CB -1.259 37.183 38.487 -0.076 0.000 0.937 92 N HN 0.276 nan 8.380 nan 0.000 0.545 93 L N 0.749 121.954 121.223 -0.029 0.000 2.325 93 L HA 0.173 4.513 4.340 0.001 0.000 0.284 93 L C 0.746 177.627 176.870 0.018 0.000 1.089 93 L CA -0.016 54.830 54.840 0.010 0.000 0.836 93 L CB 0.447 42.534 42.059 0.047 0.000 1.184 93 L HN 0.086 nan 8.230 nan 0.000 0.444 94 K N 1.026 121.436 120.400 0.017 0.000 2.326 94 K HA 0.047 4.367 4.320 0.001 0.000 0.275 94 K C 1.263 177.887 176.600 0.040 0.000 1.018 94 K CA -0.112 56.187 56.287 0.020 0.000 0.962 94 K CB 1.289 33.795 32.500 0.011 0.000 0.953 94 K HN 0.514 nan 8.250 nan 0.000 0.475 95 T N 0.839 115.419 114.554 0.042 0.000 2.788 95 T HA -0.143 4.208 4.350 0.001 0.000 0.268 95 T C 0.685 175.445 174.700 0.101 0.000 1.044 95 T CA 1.612 63.747 62.100 0.058 0.000 1.139 95 T CB 0.002 68.896 68.868 0.043 0.000 0.867 95 T HN 0.507 nan 8.240 nan 0.000 0.454 96 D N 0.713 121.178 120.400 0.109 0.000 2.369 96 D HA 0.348 4.989 4.640 0.001 0.000 0.211 96 D C 0.634 176.984 176.300 0.083 0.000 1.077 96 D CA 0.084 54.203 54.000 0.198 0.000 0.842 96 D CB 0.370 41.249 40.800 0.131 0.000 0.947 96 D HN 0.549 nan 8.370 nan 0.000 0.509 97 A N 2.175 125.022 122.820 0.045 0.000 2.371 97 A HA 0.409 4.729 4.320 0.001 0.000 0.257 97 A C -2.340 175.267 177.584 0.038 0.000 1.089 97 A CA -0.955 51.082 52.037 0.001 0.000 0.794 97 A CB 0.112 19.117 19.000 0.008 0.000 1.029 97 A HN -0.146 nan 8.150 nan 0.000 0.488 98 P HA 0.269 nan 4.420 nan 0.000 0.268 98 P C -0.576 176.762 177.300 0.062 0.000 1.204 98 P CA 0.084 63.216 63.100 0.053 0.000 0.768 98 P CB 0.778 32.489 31.700 0.019 0.000 0.842 99 V N 0.225 120.185 119.914 0.077 0.000 2.540 99 V HA 0.906 5.026 4.120 0.001 0.000 0.302 99 V C -0.720 175.413 176.094 0.065 0.000 1.035 99 V CA -1.279 61.062 62.300 0.069 0.000 0.873 99 V CB 1.651 33.517 31.823 0.071 0.000 0.992 99 V HN 0.570 nan 8.190 nan 0.000 0.428 100 A N 6.239 129.103 122.820 0.073 0.000 2.319 100 A HA 0.851 5.171 4.320 0.001 0.000 0.310 100 A C -0.599 177.046 177.584 0.101 0.000 1.152 100 A CA -0.717 51.367 52.037 0.080 0.000 0.783 100 A CB 0.861 19.911 19.000 0.083 0.000 1.184 100 A HN 1.014 nan 8.150 nan 0.000 0.474 101 L N 2.699 123.962 121.223 0.067 0.000 2.343 101 L HA 0.730 5.070 4.340 0.001 0.000 0.275 101 L C -0.154 176.781 176.870 0.108 0.000 1.056 101 L CA -0.772 54.079 54.840 0.018 0.000 0.804 101 L CB 1.016 43.050 42.059 -0.042 0.000 1.203 101 L HN 0.874 nan 8.230 nan 0.000 0.440 102 Y N -0.007 120.273 120.300 -0.034 0.000 2.689 102 Y HA 0.915 5.465 4.550 0.001 0.000 0.333 102 Y C 0.028 175.895 175.900 -0.055 0.000 1.190 102 Y CA -0.368 57.710 58.100 -0.036 0.000 1.063 102 Y CB 1.417 39.867 38.460 -0.016 0.000 1.294 102 Y HN 0.809 nan 8.280 nan 0.000 0.466 103 G N 1.020 109.919 108.800 0.166 0.000 2.337 103 G HA2 -0.099 3.862 3.960 0.001 0.000 0.197 103 G HA3 -0.099 3.862 3.960 0.001 0.000 0.197 103 G C -1.512 173.370 174.900 -0.030 0.000 1.238 103 G CA -0.573 44.535 45.100 0.013 0.000 1.119 103 G HN 1.228 nan 8.290 nan 0.000 0.514 104 N N 0.789 119.437 118.700 -0.087 0.000 2.513 104 N HA 0.114 4.854 4.740 0.001 0.000 0.268 104 N C 0.516 175.980 175.510 -0.078 0.000 1.180 104 N CA 0.410 53.408 53.050 -0.086 0.000 0.948 104 N CB 0.910 39.331 38.487 -0.111 0.000 1.083 104 N HN 0.429 nan 8.380 nan 0.000 0.455 105 D N 3.415 123.779 120.400 -0.061 0.000 2.149 105 D HA -0.156 4.485 4.640 0.001 0.000 0.198 105 D C 1.318 177.580 176.300 -0.064 0.000 0.990 105 D CA 1.499 55.467 54.000 -0.054 0.000 0.839 105 D CB 0.183 40.958 40.800 -0.043 0.000 0.948 105 D HN 0.651 nan 8.370 nan 0.000 0.460 106 K N 0.378 120.737 120.400 -0.069 0.000 2.097 106 K HA -0.124 4.197 4.320 0.001 0.000 0.206 106 K C 1.562 178.106 176.600 -0.093 0.000 1.049 106 K CA 1.032 57.275 56.287 -0.074 0.000 0.933 106 K CB 0.044 32.501 32.500 -0.071 0.000 0.717 106 K HN 0.074 nan 8.250 nan 0.000 0.442 107 D N 0.455 120.788 120.400 -0.111 0.000 2.123 107 D HA -0.104 4.537 4.640 0.001 0.000 0.200 107 D C 1.994 178.203 176.300 -0.151 0.000 0.976 107 D CA 0.733 54.645 54.000 -0.147 0.000 0.831 107 D CB -0.278 40.416 40.800 -0.175 0.000 0.974 107 D HN -0.108 nan 8.370 nan 0.000 0.469 108 V N 1.631 121.470 119.914 -0.125 0.000 2.287 108 V HA -0.239 3.881 4.120 0.001 0.000 0.248 108 V C 1.799 177.836 176.094 -0.096 0.000 1.053 108 V CA 1.866 64.100 62.300 -0.110 0.000 1.027 108 V CB -0.399 31.381 31.823 -0.071 0.000 0.646 108 V HN 0.093 nan 8.190 nan 0.000 0.447 109 D N 0.303 120.654 120.400 -0.082 0.000 2.117 109 D HA -0.103 4.537 4.640 0.001 0.000 0.197 109 D C 2.219 178.470 176.300 -0.080 0.000 0.987 109 D CA 1.623 55.581 54.000 -0.070 0.000 0.829 109 D CB -0.426 40.339 40.800 -0.059 0.000 0.961 109 D HN 0.443 nan 8.370 nan 0.000 0.460 110 A N 0.558 123.321 122.820 -0.095 0.000 1.902 110 A HA -0.126 4.195 4.320 0.001 0.000 0.217 110 A C 2.496 180.009 177.584 -0.120 0.000 1.181 110 A CA 1.160 53.136 52.037 -0.103 0.000 0.623 110 A CB -0.676 18.256 19.000 -0.113 0.000 0.818 110 A HN 0.152 nan 8.150 nan 0.000 0.443 111 V N 0.405 120.231 119.914 -0.146 0.000 2.379 111 V HA -0.239 3.881 4.120 0.001 0.000 0.245 111 V C 2.518 178.540 176.094 -0.120 0.000 1.044 111 V CA 2.207 64.407 62.300 -0.168 0.000 1.036 111 V CB -0.624 31.065 31.823 -0.222 0.000 0.664 111 V HN 0.715 nan 8.190 nan 0.000 0.453 112 K N 0.155 120.498 120.400 -0.094 0.000 2.020 112 K HA -0.249 4.072 4.320 0.001 0.000 0.212 112 K C 2.116 178.681 176.600 -0.059 0.000 1.050 112 K CA 2.342 58.589 56.287 -0.065 0.000 0.929 112 K CB -0.418 32.049 32.500 -0.054 0.000 0.714 112 K HN 0.511 nan 8.250 nan 0.000 0.443 113 T N 1.285 115.801 114.554 -0.063 0.000 2.708 113 T HA -0.088 4.262 4.350 0.001 0.000 0.266 113 T C 1.949 176.616 174.700 -0.054 0.000 1.037 113 T CA 0.974 63.041 62.100 -0.054 0.000 1.146 113 T CB -0.153 68.682 68.868 -0.054 0.000 0.865 113 T HN 0.223 nan 8.240 nan 0.000 0.435 114 R N 1.023 121.482 120.500 -0.068 0.000 2.070 114 R HA 0.060 4.401 4.340 0.001 0.000 0.233 114 R C 2.548 178.818 176.300 -0.050 0.000 1.137 114 R CA 1.073 57.134 56.100 -0.065 0.000 0.945 114 R CB -1.254 28.992 30.300 -0.090 0.000 0.845 114 R HN 0.423 nan 8.270 nan 0.000 0.430 115 L N 0.911 122.102 121.223 -0.053 0.000 2.129 115 L HA -0.241 4.099 4.340 0.001 0.000 0.212 115 L C 2.623 179.484 176.870 -0.015 0.000 1.087 115 L CA 1.457 56.283 54.840 -0.022 0.000 0.757 115 L CB -0.487 41.562 42.059 -0.017 0.000 0.896 115 L HN 0.280 nan 8.230 nan 0.000 0.434 116 Q N 0.064 119.848 119.800 -0.028 0.000 2.020 116 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 116 Q C 2.294 178.280 176.000 -0.024 0.000 0.982 116 Q CA 1.547 57.333 55.803 -0.029 0.000 0.838 116 Q CB -0.025 28.691 28.738 -0.035 0.000 0.899 116 Q HN 0.413 nan 8.270 nan 0.000 0.423 117 K N 0.139 120.524 120.400 -0.025 0.000 2.103 117 K HA -0.131 4.190 4.320 0.001 0.000 0.207 117 K C 1.935 178.529 176.600 -0.010 0.000 1.048 117 K CA 1.145 57.420 56.287 -0.019 0.000 0.930 117 K CB -0.145 32.342 32.500 -0.023 0.000 0.716 117 K HN 0.146 nan 8.250 nan 0.000 0.444 118 A N 0.185 123.002 122.820 -0.005 0.000 2.172 118 A HA 0.042 4.363 4.320 0.001 0.000 0.216 118 A C 1.458 179.050 177.584 0.014 0.000 1.154 118 A CA 1.300 53.343 52.037 0.011 0.000 0.701 118 A CB -0.379 18.636 19.000 0.025 0.000 0.789 118 A HN 0.470 nan 8.150 nan 0.000 0.465 119 G N -1.753 107.049 108.800 0.004 0.000 2.144 119 G HA2 -0.164 3.796 3.960 0.001 0.000 0.218 119 G HA3 -0.164 3.796 3.960 0.001 0.000 0.218 119 G C 0.013 174.917 174.900 0.007 0.000 0.988 119 G CA 0.006 45.107 45.100 0.002 0.000 0.659 119 G HN 0.399 nan 8.290 nan 0.000 0.522 120 L N 1.158 122.389 121.223 0.013 0.000 2.416 120 L HA 0.406 4.747 4.340 0.001 0.000 0.272 120 L C 1.928 178.788 176.870 -0.017 0.000 1.161 120 L CA 0.683 55.536 54.840 0.021 0.000 0.845 120 L CB 0.933 43.018 42.059 0.043 0.000 1.119 120 L HN 0.382 nan 8.230 nan 0.000 0.464 121 T N -2.994 111.542 114.554 -0.031 0.000 2.990 121 T HA 0.086 4.437 4.350 0.001 0.000 0.250 121 T C 0.699 175.159 174.700 -0.399 0.000 1.041 121 T CA 0.142 62.120 62.100 -0.203 0.000 1.010 121 T CB 0.087 68.801 68.868 -0.257 0.000 1.003 121 T HN 0.513 nan 8.240 nan 0.000 0.499 122 H N 1.070 120.144 119.070 0.008 0.000 2.423 122 H HA 0.457 5.014 4.556 0.001 0.000 0.237 122 H C -0.938 174.396 175.328 0.009 0.000 1.391 122 H CA -0.576 55.477 56.048 0.008 0.000 1.453 122 H CB 0.316 30.083 29.762 0.009 0.000 1.484 122 H HN 0.354 nan 8.280 nan 0.000 0.505 123 I N 2.017 122.620 120.570 0.054 0.000 2.330 123 I HA 0.205 4.376 4.170 0.001 0.000 0.289 123 I C 0.237 176.373 176.117 0.032 0.000 1.001 123 I CA -0.164 61.158 61.300 0.037 0.000 1.193 123 I CB 1.245 39.249 38.000 0.006 0.000 1.345 123 I HN 0.201 nan 8.210 nan 0.000 0.461 124 S N 5.992 121.716 115.700 0.040 0.000 2.759 124 S HA 0.682 5.153 4.470 0.001 0.000 0.310 124 S C -0.244 174.374 174.600 0.031 0.000 1.123 124 S CA -0.784 57.436 58.200 0.033 0.000 0.959 124 S CB 2.145 65.370 63.200 0.041 0.000 1.172 124 S HN 0.568 nan 8.310 nan 0.000 0.539 125 I N -0.617 119.970 120.570 0.029 0.000 2.499 125 I HA 0.599 4.770 4.170 0.001 0.000 0.296 125 I C -0.706 175.442 176.117 0.051 0.000 0.992 125 I CA -0.880 60.445 61.300 0.041 0.000 1.297 125 I CB 0.491 38.508 38.000 0.028 0.000 1.410 125 I HN 0.395 nan 8.210 nan 0.000 0.507 126 L N 5.495 126.768 121.223 0.082 0.000 2.312 126 L HA 0.255 4.596 4.340 0.001 0.000 0.287 126 L C 1.421 178.300 176.870 0.015 0.000 1.091 126 L CA 0.577 55.452 54.840 0.058 0.000 0.846 126 L CB 0.731 42.849 42.059 0.098 0.000 1.219 126 L HN 0.905 nan 8.230 nan 0.000 0.439 127 S N 1.766 117.466 115.700 -0.000 0.000 2.383 127 S HA -0.119 4.351 4.470 0.001 0.000 0.227 127 S C 1.031 175.612 174.600 -0.031 0.000 1.026 127 S CA 0.931 59.125 58.200 -0.010 0.000 0.981 127 S CB -0.317 62.879 63.200 -0.008 0.000 0.818 127 S HN 0.771 nan 8.310 nan 0.000 0.472 128 D N 1.753 122.124 120.400 -0.049 0.000 2.388 128 D HA 0.388 5.028 4.640 0.001 0.000 0.221 128 D C 0.424 176.652 176.300 -0.120 0.000 1.133 128 D CA -0.031 53.928 54.000 -0.068 0.000 0.831 128 D CB -0.333 40.433 40.800 -0.056 0.000 0.962 128 D HN 0.505 nan 8.370 nan 0.000 0.502 129 A N 0.913 123.634 122.820 -0.165 0.000 2.565 129 A HA 0.192 4.513 4.320 0.001 0.000 0.237 129 A C 1.441 178.857 177.584 -0.280 0.000 1.053 129 A CA 0.081 51.908 52.037 -0.351 0.000 0.755 129 A CB -0.316 18.384 19.000 -0.500 0.000 0.980 129 A HN 0.528 nan 8.150 nan 0.000 0.506 130 L N 1.036 122.073 121.223 -0.309 0.000 4.884 130 L HA -0.306 4.035 4.340 0.001 0.000 0.430 130 L C 1.886 178.685 176.870 -0.118 0.000 1.087 130 L CA 0.924 55.650 54.840 -0.190 0.000 1.033 130 L CB -2.416 39.559 42.059 -0.140 0.000 2.030 130 L HN 1.005 nan 8.230 nan 0.000 0.762 131 S N -1.428 114.205 115.700 -0.111 0.000 2.496 131 S HA -0.008 4.462 4.470 0.001 0.000 0.224 131 S C 0.701 175.263 174.600 -0.063 0.000 0.996 131 S CA 0.693 58.848 58.200 -0.075 0.000 0.927 131 S CB 0.330 63.490 63.200 -0.065 0.000 0.774 131 S HN 0.547 nan 8.310 nan 0.000 0.524 132 E N 1.636 121.792 120.200 -0.073 0.000 2.255 132 E HA 0.346 4.697 4.350 0.001 0.000 0.245 132 E C -2.365 174.196 176.600 -0.066 0.000 0.909 132 E CA -2.450 53.914 56.400 -0.060 0.000 0.747 132 E CB 1.338 31.005 29.700 -0.055 0.000 1.215 132 E HN 0.089 nan 8.360 nan 0.000 0.424 133 P HA -0.180 nan 4.420 nan 0.000 0.219 133 P C 1.198 178.462 177.300 -0.061 0.000 1.146 133 P CA 1.095 64.161 63.100 -0.058 0.000 0.808 133 P CB 0.224 31.900 31.700 -0.040 0.000 0.779 134 S N -0.038 115.632 115.700 -0.051 0.000 2.489 134 S HA -0.101 4.370 4.470 0.001 0.000 0.228 134 S C 1.647 176.214 174.600 -0.056 0.000 0.995 134 S CA 0.165 58.337 58.200 -0.047 0.000 0.934 134 S CB -0.790 62.389 63.200 -0.035 0.000 0.771 134 S HN 0.293 nan 8.310 nan 0.000 0.522 135 R N 0.557 121.018 120.500 -0.065 0.000 2.427 135 R HA 0.434 4.774 4.340 0.001 0.000 0.262 135 R C -0.062 176.180 176.300 -0.097 0.000 0.943 135 R CA -0.347 55.711 56.100 -0.070 0.000 1.081 135 R CB -0.374 29.890 30.300 -0.060 0.000 1.166 135 R HN 0.316 nan 8.270 nan 0.000 0.534 136 L N 1.707 122.857 121.223 -0.121 0.000 2.418 136 L HA 0.248 4.588 4.340 0.001 0.000 0.265 136 L C 0.218 176.944 176.870 -0.240 0.000 1.143 136 L CA -0.730 54.001 54.840 -0.182 0.000 0.809 136 L CB 1.055 43.006 42.059 -0.181 0.000 1.124 136 L HN 0.133 nan 8.230 nan 0.000 0.456 137 Q N 2.611 122.161 119.800 -0.417 0.000 2.306 137 Q HA 0.520 4.860 4.340 0.001 0.000 0.265 137 Q C -1.018 174.593 176.000 -0.648 0.000 1.022 137 Q CA -0.701 54.823 55.803 -0.465 0.000 0.853 137 Q CB 2.713 31.188 28.738 -0.440 0.000 1.327 137 Q HN 0.559 nan 8.270 nan 0.000 0.449 138 K N -0.184 120.011 120.400 -0.342 0.000 2.509 138 K HA 0.476 4.796 4.320 0.001 0.000 0.266 138 K C -0.939 175.623 176.600 -0.063 0.000 0.987 138 K CA -1.079 55.064 56.287 -0.239 0.000 0.868 138 K CB 1.247 33.627 32.500 -0.200 0.000 1.421 138 K HN 0.304 nan 8.250 nan 0.000 0.444 139 L N 2.749 123.983 121.223 0.020 0.000 2.534 139 L HA 0.144 4.484 4.340 0.001 0.000 0.271 139 L C -1.849 175.067 176.870 0.077 0.000 1.178 139 L CA -1.543 53.351 54.840 0.091 0.000 0.907 139 L CB 0.516 42.657 42.059 0.138 0.000 1.164 139 L HN 0.608 nan 8.230 nan 0.000 0.482 140 P HA -0.151 nan 4.420 nan 0.000 0.217 140 P C -0.083 176.945 177.300 -0.452 0.000 1.148 140 P CA 1.604 64.612 63.100 -0.154 0.000 0.828 140 P CB 0.063 31.714 31.700 -0.081 0.000 0.783 141 H N -2.081 116.961 119.070 -0.047 0.000 2.551 141 H HA 0.152 4.709 4.556 0.001 0.000 0.238 141 H C 0.891 176.058 175.328 -0.269 0.000 1.345 141 H CA -0.516 55.411 56.048 -0.202 0.000 1.105 141 H CB -0.261 29.434 29.762 -0.113 0.000 1.805 141 H HN 0.177 nan 8.280 nan 0.000 0.553 142 F N 1.682 121.523 119.950 -0.182 0.000 2.202 142 F HA -0.180 4.347 4.527 0.001 0.000 0.301 142 F C 2.128 177.683 175.800 -0.409 0.000 1.082 142 F CA 1.087 58.917 58.000 -0.284 0.000 1.313 142 F CB -0.090 38.633 39.000 -0.463 0.000 1.024 142 F HN 0.130 nan 8.300 nan 0.000 0.495 143 E N 1.505 120.925 120.200 -1.300 0.000 2.401 143 E HA -0.249 4.102 4.350 0.001 0.000 0.199 143 E C 1.500 177.969 176.600 -0.218 0.000 1.023 143 E CA 1.287 57.112 56.400 -0.958 0.000 0.859 143 E CB -0.823 28.293 29.700 -0.974 0.000 0.780 143 E HN 0.732 nan 8.360 nan 0.000 0.523 144 Q N 0.093 119.829 119.800 -0.107 0.000 2.389 144 Q HA 0.194 4.534 4.340 0.001 0.000 0.204 144 Q C 0.415 176.492 176.000 0.128 0.000 0.944 144 Q CA 0.339 56.160 55.803 0.030 0.000 0.908 144 Q CB 0.307 29.068 28.738 0.037 0.000 1.002 144 Q HN 0.241 nan 8.270 nan 0.000 0.493 145 L N 1.972 123.322 121.223 0.212 0.000 2.297 145 L HA 0.285 4.626 4.340 0.001 0.000 0.277 145 L C -0.195 176.924 176.870 0.414 0.000 1.040 145 L CA -0.878 54.134 54.840 0.288 0.000 0.867 145 L CB 0.877 43.109 42.059 0.289 0.000 1.244 145 L HN -0.070 nan 8.230 nan 0.000 0.433 146 V N 0.763 120.792 119.914 0.193 0.000 3.036 146 V HA 0.517 4.637 4.120 0.001 0.000 0.308 146 V C -0.434 175.661 176.094 0.002 0.000 1.070 146 V CA -0.371 61.874 62.300 -0.092 0.000 1.056 146 V CB 1.159 32.783 31.823 -0.331 0.000 1.084 146 V HN 0.573 nan 8.190 nan 0.000 0.471 147 Y N -0.312 119.789 120.300 -0.331 0.000 2.630 147 Y HA 0.769 5.320 4.550 0.001 0.000 0.337 147 Y C -2.515 173.379 175.900 -0.010 0.000 1.051 147 Y CA -2.721 55.272 58.100 -0.177 0.000 1.121 147 Y CB 0.971 39.229 38.460 -0.336 0.000 1.299 147 Y HN 0.351 nan 8.280 nan 0.000 0.498 148 P HA -0.153 nan 4.420 nan 0.000 0.216 148 P C 1.325 178.561 177.300 -0.107 0.000 1.153 148 P CA 1.731 64.874 63.100 0.072 0.000 0.848 148 P CB 0.288 31.958 31.700 -0.050 0.000 0.787 149 Q N -1.241 118.458 119.800 -0.169 0.000 2.096 149 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 149 Q C 1.947 177.835 176.000 -0.187 0.000 0.982 149 Q CA 1.721 57.455 55.803 -0.116 0.000 0.850 149 Q CB -1.230 27.562 28.738 0.091 0.000 0.901 149 Q HN 0.259 nan 8.270 nan 0.000 0.422 150 W N -0.309 120.505 121.300 -0.810 0.000 2.335 150 W HA -0.221 4.439 4.660 0.001 0.000 0.311 150 W C 1.655 177.920 176.519 -0.425 0.000 1.213 150 W CA 1.524 58.408 57.345 -0.767 0.000 1.274 150 W CB -0.461 28.132 29.460 -1.445 0.000 1.148 150 W HN 0.328 nan 8.180 nan 0.000 0.498 151 L N 0.491 121.649 121.223 -0.108 0.000 2.056 151 L HA -0.165 4.175 4.340 0.001 0.000 0.207 151 L C 2.530 179.342 176.870 -0.098 0.000 1.078 151 L CA 2.754 57.516 54.840 -0.129 0.000 0.749 151 L CB -1.685 40.518 42.059 0.239 0.000 0.901 151 L HN 0.207 nan 8.230 nan 0.000 0.433 152 H N -0.238 118.854 119.070 0.036 0.000 2.319 152 H HA -0.181 4.376 4.556 0.001 0.000 0.297 152 H C 1.807 177.061 175.328 -0.124 0.000 1.097 152 H CA 2.353 58.419 56.048 0.031 0.000 1.285 152 H CB -0.160 29.540 29.762 -0.104 0.000 1.368 152 H HN 0.417 nan 8.280 nan 0.000 0.495 153 D N -0.166 120.048 120.400 -0.310 0.000 2.117 153 D HA -0.132 4.509 4.640 0.001 0.000 0.198 153 D C 2.374 178.421 176.300 -0.422 0.000 0.982 153 D CA 0.950 54.737 54.000 -0.355 0.000 0.828 153 D CB -0.542 40.099 40.800 -0.264 0.000 0.967 153 D HN 0.325 nan 8.370 nan 0.000 0.464 154 L N 1.122 121.955 121.223 -0.650 0.000 2.012 154 L HA -0.231 4.110 4.340 0.001 0.000 0.210 154 L C 2.154 178.794 176.870 -0.383 0.000 1.073 154 L CA 1.820 56.230 54.840 -0.717 0.000 0.748 154 L CB -0.630 40.654 42.059 -1.291 0.000 0.891 154 L HN -0.021 nan 8.230 nan 0.000 0.431 155 Q N -1.042 118.583 119.800 -0.293 0.000 2.112 155 Q HA -0.231 4.110 4.340 0.001 0.000 0.206 155 Q C 1.918 177.914 176.000 -0.007 0.000 0.987 155 Q CA 1.787 57.606 55.803 0.027 0.000 0.858 155 Q CB -0.185 28.604 28.738 0.085 0.000 0.905 155 Q HN 0.591 nan 8.270 nan 0.000 0.420 156 Q N -1.203 118.497 119.800 -0.167 0.000 2.444 156 Q HA 0.065 4.406 4.340 0.001 0.000 0.206 156 Q C 0.904 176.856 176.000 -0.080 0.000 0.948 156 Q CA 0.852 56.572 55.803 -0.138 0.000 0.946 156 Q CB 1.045 29.636 28.738 -0.244 0.000 1.027 156 Q HN 0.580 nan 8.270 nan 0.000 0.513 157 G N 1.877 110.636 108.800 -0.068 0.000 2.141 157 G HA2 -0.312 3.648 3.960 0.001 0.000 0.242 157 G HA3 -0.312 3.648 3.960 0.001 0.000 0.242 157 G C 0.175 175.042 174.900 -0.055 0.000 0.982 157 G CA 0.483 45.565 45.100 -0.031 0.000 0.662 157 G HN 0.333 nan 8.290 nan 0.000 0.527 158 K N 0.984 121.323 120.400 -0.102 0.000 2.326 158 K HA 0.365 4.685 4.320 0.001 0.000 0.275 158 K C 0.613 177.164 176.600 -0.082 0.000 1.018 158 K CA -0.267 55.968 56.287 -0.086 0.000 0.962 158 K CB 0.371 32.809 32.500 -0.104 0.000 0.953 158 K HN 0.314 nan 8.250 nan 0.000 0.475 159 E N 3.301 123.483 120.200 -0.031 0.000 2.366 159 E HA 0.077 4.427 4.350 0.001 0.000 0.266 159 E C -0.735 175.875 176.600 0.016 0.000 1.015 159 E CA -0.556 55.844 56.400 -0.001 0.000 0.906 159 E CB 0.544 30.262 29.700 0.029 0.000 0.979 159 E HN 0.413 nan 8.360 nan 0.000 0.443 160 V N 1.126 121.058 119.914 0.029 0.000 3.074 160 V HA 0.498 4.618 4.120 0.001 0.000 0.314 160 V C 0.091 176.379 176.094 0.323 0.000 1.117 160 V CA -1.047 61.328 62.300 0.125 0.000 1.014 160 V CB 1.730 33.462 31.823 -0.152 0.000 1.057 160 V HN 0.576 nan 8.190 nan 0.000 0.438 161 T N 2.301 117.177 114.554 0.537 0.000 2.930 161 T HA 0.493 4.843 4.350 0.001 0.000 0.306 161 T C 0.901 175.990 174.700 0.648 0.000 1.045 161 T CA 0.883 63.313 62.100 0.551 0.000 1.134 161 T CB 0.736 69.996 68.868 0.654 0.000 0.961 161 T HN 2.363 nan 8.240 nan 0.000 0.545 162 A N 2.305 125.347 122.820 0.371 0.000 2.687 162 A HA -0.185 4.135 4.320 0.001 0.000 0.299 162 A C 0.668 178.487 177.584 0.391 0.000 1.497 162 A CA 0.966 53.162 52.037 0.264 0.000 0.751 162 A CB -1.686 17.354 19.000 0.067 0.000 1.048 162 A HN 0.807 nan 8.150 nan 0.000 0.464 163 K N -0.213 120.387 120.400 0.333 0.000 2.485 163 K HA 0.229 4.549 4.320 0.001 0.000 0.277 163 K C -2.036 174.686 176.600 0.203 0.000 0.990 163 K CA -0.786 55.647 56.287 0.242 0.000 0.994 163 K CB 0.223 32.802 32.500 0.131 0.000 0.906 163 K HN 0.290 nan 8.250 nan 0.000 0.488 164 P HA -0.050 nan 4.420 nan 0.000 0.267 164 P C -0.368 177.034 177.300 0.169 0.000 1.200 164 P CA 0.087 63.299 63.100 0.187 0.000 0.772 164 P CB 0.884 32.726 31.700 0.237 0.000 0.855 165 A N 2.594 125.494 122.820 0.133 0.000 1.930 165 A HA 0.131 4.452 4.320 0.001 0.000 0.217 165 A C 1.351 178.994 177.584 0.099 0.000 1.175 165 A CA 2.114 54.209 52.037 0.098 0.000 0.627 165 A CB -0.947 18.092 19.000 0.065 0.000 0.815 165 A HN 0.639 nan 8.150 nan 0.000 0.443 166 G N -1.413 107.456 108.800 0.115 0.000 3.366 166 G HA2 0.434 4.394 3.960 0.001 0.000 0.179 166 G HA3 0.434 4.394 3.960 0.001 0.000 0.179 166 G C -1.389 173.594 174.900 0.139 0.000 1.143 166 G CA -0.064 45.092 45.100 0.093 0.000 0.810 166 G HN 0.093 nan 8.290 nan 0.000 0.697 167 D N 0.979 121.409 120.400 0.050 0.000 2.382 167 D HA 0.348 4.989 4.640 0.001 0.000 0.240 167 D C -0.075 176.296 176.300 0.118 0.000 1.146 167 D CA 0.489 54.477 54.000 -0.020 0.000 0.897 167 D CB 0.604 41.360 40.800 -0.074 0.000 1.197 167 D HN 0.464 nan 8.370 nan 0.000 0.432 168 W N -0.576 120.743 121.300 0.031 0.000 3.062 168 W HA 0.640 5.300 4.660 0.001 0.000 0.336 168 W C -0.968 175.584 176.519 0.055 0.000 1.224 168 W CA -0.978 56.399 57.345 0.054 0.000 1.159 168 W CB 1.112 30.619 29.460 0.079 0.000 1.454 168 W HN 0.078 nan 8.180 nan 0.000 0.569 169 K N 1.148 121.756 120.400 0.347 0.000 2.498 169 K HA 0.545 4.865 4.320 0.001 0.000 0.254 169 K C -1.400 175.413 176.600 0.355 0.000 0.933 169 K CA -0.863 55.559 56.287 0.225 0.000 0.806 169 K CB 3.288 35.854 32.500 0.110 0.000 1.301 169 K HN 0.266 nan 8.250 nan 0.000 0.432 170 V N 4.150 124.266 119.914 0.337 0.000 2.513 170 V HA 0.568 4.689 4.120 0.001 0.000 0.299 170 V C -0.452 175.788 176.094 0.243 0.000 1.035 170 V CA -0.662 61.829 62.300 0.319 0.000 0.889 170 V CB 1.318 33.343 31.823 0.336 0.000 0.988 170 V HN 0.596 nan 8.190 nan 0.000 0.440 171 I N 3.181 123.874 120.570 0.206 0.000 2.571 171 I HA 0.414 4.584 4.170 0.001 0.000 0.289 171 I C -0.401 175.618 176.117 -0.164 0.000 1.115 171 I CA -0.502 60.820 61.300 0.036 0.000 1.045 171 I CB 2.396 40.352 38.000 -0.073 0.000 1.238 171 I HN 0.607 nan 8.210 nan 0.000 0.424 172 E N 4.406 124.405 120.200 -0.335 0.000 2.283 172 E HA 0.659 5.009 4.350 0.001 0.000 0.278 172 E C -0.858 175.347 176.600 -0.658 0.000 1.027 172 E CA -0.454 55.485 56.400 -0.768 0.000 0.843 172 E CB 1.436 30.866 29.700 -0.451 0.000 1.062 172 E HN 0.719 nan 8.360 nan 0.000 0.401 173 A N 2.993 125.463 122.820 -0.582 0.000 2.355 173 A HA 0.839 5.160 4.320 0.001 0.000 0.317 173 A C -1.069 176.297 177.584 -0.364 0.000 1.094 173 A CA -0.008 51.704 52.037 -0.541 0.000 0.764 173 A CB 1.595 20.345 19.000 -0.416 0.000 1.230 173 A HN 0.696 nan 8.150 nan 0.000 0.448 174 A N 1.430 124.050 122.820 -0.334 0.000 2.586 174 A HA 0.657 4.977 4.320 0.001 0.000 0.290 174 A C -1.328 176.327 177.584 0.118 0.000 1.086 174 A CA -0.484 51.554 52.037 0.001 0.000 0.665 174 A CB 0.519 19.601 19.000 0.137 0.000 1.279 174 A HN 1.645 nan 8.150 nan 0.000 0.423 175 W N 1.853 123.238 121.300 0.142 0.000 2.304 175 W HA 0.468 5.129 4.660 0.001 0.000 0.313 175 W C 0.361 176.947 176.519 0.111 0.000 1.323 175 W CA 1.691 59.121 57.345 0.141 0.000 1.223 175 W CB 0.248 29.777 29.460 0.115 0.000 1.237 175 W HN 2.096 nan 8.180 nan 0.000 0.535 176 G N 3.119 111.574 108.800 -0.575 0.000 2.698 176 G HA2 0.124 4.084 3.960 0.001 0.000 0.225 176 G HA3 0.124 4.084 3.960 0.001 0.000 0.225 176 G C -0.553 174.279 174.900 -0.114 0.000 1.345 176 G CA -0.339 44.447 45.100 -0.524 0.000 0.871 176 G HN 1.297 nan 8.290 nan 0.000 0.540 177 A N 0.853 123.611 122.820 -0.104 0.000 2.466 177 A HA 0.631 4.951 4.320 0.001 0.000 0.238 177 A C -1.445 176.040 177.584 -0.165 0.000 1.074 177 A CA 0.209 52.193 52.037 -0.088 0.000 0.774 177 A CB -0.445 18.497 19.000 -0.096 0.000 1.015 177 A HN 0.835 nan 8.150 nan 0.000 0.498 178 P HA 0.142 nan 4.420 nan 0.000 0.264 178 P C -0.026 177.110 177.300 -0.274 0.000 1.193 178 P CA 0.294 62.909 63.100 -0.808 0.000 0.763 178 P CB 0.795 31.831 31.700 -1.106 0.000 0.810 179 K N 2.471 122.791 120.400 -0.133 0.000 2.804 179 K HA 0.233 4.553 4.320 0.001 0.000 0.248 179 K C 1.756 178.364 176.600 0.014 0.000 1.516 179 K CA -0.308 55.965 56.287 -0.022 0.000 0.881 179 K CB -0.416 32.099 32.500 0.025 0.000 1.964 179 K HN 0.112 nan 8.250 nan 0.000 0.358 180 L N 1.389 122.631 121.223 0.031 0.000 2.127 180 L HA -0.171 4.170 4.340 0.001 0.000 0.211 180 L C 2.380 179.237 176.870 -0.021 0.000 1.089 180 L CA 1.462 56.302 54.840 0.001 0.000 0.757 180 L CB -0.410 41.640 42.059 -0.015 0.000 0.899 180 L HN 0.442 nan 8.230 nan 0.000 0.434 181 Y N 0.726 120.951 120.300 -0.125 0.000 2.256 181 Y HA -0.257 4.294 4.550 0.001 0.000 0.288 181 Y C 2.266 178.184 175.900 0.028 0.000 1.155 181 Y CA 1.403 59.448 58.100 -0.091 0.000 1.203 181 Y CB -0.030 38.322 38.460 -0.180 0.000 0.980 181 Y HN 0.070 nan 8.280 nan 0.000 0.530 182 L N -0.633 120.675 121.223 0.142 0.000 2.156 182 L HA -0.200 4.140 4.340 0.001 0.000 0.208 182 L C 2.062 178.944 176.870 0.021 0.000 1.095 182 L CA 0.344 55.245 54.840 0.103 0.000 0.770 182 L CB -0.427 41.669 42.059 0.061 0.000 0.914 182 L HN 0.286 nan 8.230 nan 0.000 0.439 183 I N -0.779 119.788 120.570 -0.004 0.000 2.162 183 I HA -0.065 4.106 4.170 0.001 0.000 0.238 183 I C 1.130 177.216 176.117 -0.052 0.000 1.076 183 I CA 0.970 62.262 61.300 -0.014 0.000 1.353 183 I CB -0.955 37.050 38.000 0.008 0.000 1.063 183 I HN 0.306 nan 8.210 nan 0.000 0.408 184 S N 0.834 116.467 115.700 -0.112 0.000 2.550 184 S HA 0.618 5.088 4.470 0.001 0.000 0.270 184 S C -0.719 173.658 174.600 -0.372 0.000 1.145 184 S CA -0.823 57.270 58.200 -0.178 0.000 0.852 184 S CB 2.669 65.919 63.200 0.083 0.000 1.119 184 S HN 0.526 nan 8.310 nan 0.000 0.465 185 H N -0.093 118.792 119.070 -0.309 0.000 2.990 185 H HA 0.539 5.096 4.556 0.001 0.000 0.336 185 H C -1.090 174.220 175.328 -0.029 0.000 1.306 185 H CA -1.150 54.699 56.048 -0.331 0.000 1.118 185 H CB 0.673 30.029 29.762 -0.678 0.000 1.856 185 H HN 0.653 nan 8.280 nan 0.000 0.538 186 I N 1.950 122.579 120.570 0.099 0.000 2.710 186 I HA 0.021 4.192 4.170 0.001 0.000 0.286 186 I C -2.105 174.009 176.117 -0.006 0.000 1.181 186 I CA -1.346 59.763 61.300 -0.318 0.000 1.430 186 I CB 0.274 37.772 38.000 -0.837 0.000 1.367 186 I HN 0.255 nan 8.210 nan 0.000 0.577 187 P HA 0.008 nan 4.420 nan 0.000 0.266 187 P C 0.723 178.117 177.300 0.156 0.000 1.195 187 P CA 0.540 63.710 63.100 0.117 0.000 0.768 187 P CB 0.569 32.371 31.700 0.170 0.000 0.838 188 G N 1.520 110.430 108.800 0.182 0.000 2.175 188 G HA2 -0.235 3.725 3.960 0.001 0.000 0.265 188 G HA3 -0.235 3.725 3.960 0.001 0.000 0.265 188 G C 0.433 175.454 174.900 0.203 0.000 0.979 188 G CA 0.129 45.330 45.100 0.169 0.000 0.663 188 G HN 0.856 nan 8.290 nan 0.000 0.533 189 A N -0.082 122.901 122.820 0.271 0.000 2.409 189 A HA 0.574 4.895 4.320 0.001 0.000 0.262 189 A C 0.459 178.212 177.584 0.281 0.000 1.113 189 A CA 0.578 52.799 52.037 0.306 0.000 0.790 189 A CB 0.533 19.797 19.000 0.440 0.000 1.046 189 A HN 0.448 nan 8.150 nan 0.000 0.496 190 D N 0.038 120.559 120.400 0.201 0.000 2.433 190 D HA 0.394 5.034 4.640 0.001 0.000 0.255 190 D C -1.000 175.328 176.300 0.046 0.000 1.226 190 D CA 0.244 54.325 54.000 0.134 0.000 1.015 190 D CB 0.407 41.283 40.800 0.127 0.000 1.091 190 D HN 0.437 nan 8.370 nan 0.000 0.527 191 Y N 0.139 120.287 120.300 -0.253 0.000 2.406 191 Y HA 0.502 5.053 4.550 0.001 0.000 0.340 191 Y C -1.182 174.541 175.900 -0.296 0.000 0.975 191 Y CA -0.813 57.011 58.100 -0.459 0.000 1.056 191 Y CB 0.977 38.841 38.460 -0.994 0.000 1.210 191 Y HN 0.273 nan 8.280 nan 0.000 0.448 192 I N 5.724 125.711 120.570 -0.972 0.000 2.406 192 I HA 0.202 4.372 4.170 0.001 0.000 0.290 192 I C -0.853 174.742 176.117 -0.869 0.000 0.999 192 I CA -0.836 60.013 61.300 -0.751 0.000 1.124 192 I CB 1.395 39.015 38.000 -0.634 0.000 1.289 192 I HN 0.613 nan 8.210 nan 0.000 0.441 193 D N 4.304 124.454 120.400 -0.417 0.000 2.308 193 D HA 0.034 4.675 4.640 0.001 0.000 0.251 193 D C 1.344 177.519 176.300 -0.209 0.000 1.127 193 D CA -0.129 53.729 54.000 -0.236 0.000 0.876 193 D CB 1.606 42.365 40.800 -0.069 0.000 1.176 193 D HN 0.700 nan 8.370 nan 0.000 0.446 194 T N 1.313 115.779 114.554 -0.146 0.000 2.881 194 T HA -0.170 4.181 4.350 0.001 0.000 0.270 194 T C 1.374 176.095 174.700 0.035 0.000 1.068 194 T CA 0.661 62.732 62.100 -0.048 0.000 1.131 194 T CB -0.132 68.813 68.868 0.129 0.000 0.871 194 T HN 0.379 nan 8.240 nan 0.000 0.479 195 N N 1.679 120.364 118.700 -0.025 0.000 2.430 195 N HA -0.087 4.654 4.740 0.001 0.000 0.186 195 N C 1.657 177.172 175.510 0.008 0.000 1.032 195 N CA 1.058 54.116 53.050 0.012 0.000 0.893 195 N CB -0.180 38.223 38.487 -0.140 0.000 0.957 195 N HN 0.694 nan 8.380 nan 0.000 0.442 196 E N 0.060 120.243 120.200 -0.030 0.000 2.274 196 E HA -0.071 4.280 4.350 0.001 0.000 0.194 196 E C 1.762 178.353 176.600 -0.016 0.000 0.996 196 E CA 0.662 57.051 56.400 -0.020 0.000 0.840 196 E CB 0.299 29.989 29.700 -0.017 0.000 0.772 196 E HN 0.297 nan 8.360 nan 0.000 0.491 197 V N -1.496 118.409 119.914 -0.015 0.000 3.605 197 V HA 0.171 4.291 4.120 0.001 0.000 0.284 197 V C 0.161 176.271 176.094 0.027 0.000 1.386 197 V CA -0.033 62.257 62.300 -0.017 0.000 1.053 197 V CB -0.173 31.610 31.823 -0.065 0.000 0.857 197 V HN 0.141 nan 8.190 nan 0.000 0.436 198 E N 0.732 120.995 120.200 0.105 0.000 2.413 198 E HA 0.768 5.118 4.350 0.001 0.000 0.277 198 E C -0.895 175.839 176.600 0.224 0.000 0.958 198 E CA -0.166 56.348 56.400 0.189 0.000 0.779 198 E CB 2.231 32.134 29.700 0.338 0.000 1.278 198 E HN 0.439 nan 8.360 nan 0.000 0.456 199 S N 0.507 116.248 115.700 0.069 0.000 2.636 199 S HA 0.311 4.782 4.470 0.001 0.000 0.268 199 S C -0.695 173.389 174.600 -0.861 0.000 1.159 199 S CA -1.118 56.900 58.200 -0.303 0.000 0.815 199 S CB 1.169 64.256 63.200 -0.188 0.000 1.130 199 S HN 0.502 nan 8.310 nan 0.000 0.471 200 E N 1.508 121.013 120.200 -1.158 0.000 2.459 200 E HA 0.124 4.474 4.350 0.001 0.000 0.264 200 E C -1.441 174.874 176.600 -0.475 0.000 1.055 200 E CA -0.819 55.046 56.400 -0.893 0.000 0.957 200 E CB 0.196 29.575 29.700 -0.536 0.000 0.952 200 E HN 0.567 nan 8.360 nan 0.000 0.448 201 P HA 0.117 nan 4.420 nan 0.000 0.245 201 P C 1.056 178.182 177.300 -0.291 0.000 1.199 201 P CA 0.429 63.335 63.100 -0.324 0.000 0.807 201 P CB 0.485 32.064 31.700 -0.202 0.000 1.002 202 L N -2.813 118.254 121.223 -0.261 0.000 2.616 202 L HA 0.253 4.593 4.340 0.001 0.000 0.229 202 L C 0.140 177.118 176.870 0.180 0.000 1.110 202 L CA -0.039 54.754 54.840 -0.079 0.000 0.884 202 L CB -0.526 41.467 42.059 -0.110 0.000 1.115 202 L HN -0.115 nan 8.230 nan 0.000 0.481 203 W N 0.338 121.712 121.300 0.123 0.000 5.361 203 W HA -0.266 4.394 4.660 0.001 0.000 0.385 203 W C 0.370 176.939 176.519 0.084 0.000 1.458 203 W CA -0.221 57.190 57.345 0.109 0.000 0.922 203 W CB -2.044 27.476 29.460 0.101 0.000 2.606 203 W HN 0.201 nan 8.180 nan 0.000 1.450 204 N N 1.303 120.081 118.700 0.130 0.000 2.476 204 N HA 0.332 5.072 4.740 0.001 0.000 0.276 204 N C 0.396 175.927 175.510 0.035 0.000 1.204 204 N CA -0.730 52.358 53.050 0.064 0.000 0.974 204 N CB 0.453 38.936 38.487 -0.008 0.000 1.204 204 N HN 0.157 nan 8.380 nan 0.000 0.543 205 K N -0.677 119.708 120.400 -0.027 0.000 2.414 205 K HA 0.186 4.507 4.320 0.001 0.000 0.272 205 K C 0.371 176.940 176.600 -0.052 0.000 0.993 205 K CA -0.651 55.603 56.287 -0.055 0.000 0.964 205 K CB 0.156 32.559 32.500 -0.162 0.000 0.925 205 K HN 0.294 nan 8.250 nan 0.000 0.487 206 V N -0.145 119.749 119.914 -0.033 0.000 3.611 206 V HA 0.060 4.180 4.120 0.001 0.000 0.296 206 V C 0.518 176.595 176.094 -0.028 0.000 1.091 206 V CA -0.339 61.940 62.300 -0.034 0.000 1.103 206 V CB 0.654 32.462 31.823 -0.025 0.000 1.157 206 V HN 0.999 nan 8.190 nan 0.000 0.471 207 S N -0.023 115.664 115.700 -0.021 0.000 2.589 207 S HA 0.105 4.575 4.470 0.001 0.000 0.265 207 S C 0.639 175.250 174.600 0.018 0.000 1.342 207 S CA 0.198 58.397 58.200 -0.003 0.000 1.005 207 S CB 0.641 63.834 63.200 -0.012 0.000 0.909 207 S HN 0.794 nan 8.310 nan 0.000 0.555 208 D N 0.847 121.274 120.400 0.044 0.000 2.158 208 D HA -0.157 4.484 4.640 0.001 0.000 0.197 208 D C 1.677 177.966 176.300 -0.019 0.000 0.995 208 D CA 1.760 55.782 54.000 0.036 0.000 0.846 208 D CB -0.309 40.510 40.800 0.032 0.000 0.941 208 D HN 0.864 nan 8.370 nan 0.000 0.456 209 E N 0.218 120.407 120.200 -0.018 0.000 2.072 209 E HA -0.154 4.197 4.350 0.001 0.000 0.191 209 E C 1.995 178.577 176.600 -0.031 0.000 0.985 209 E CA 0.696 57.079 56.400 -0.028 0.000 0.801 209 E CB 0.128 29.815 29.700 -0.021 0.000 0.750 209 E HN 0.285 nan 8.360 nan 0.000 0.452 210 Q N -0.080 119.705 119.800 -0.024 0.000 2.224 210 Q HA -0.096 4.245 4.340 0.001 0.000 0.203 210 Q C 2.215 178.199 176.000 -0.027 0.000 0.970 210 Q CA 0.789 56.578 55.803 -0.024 0.000 0.865 210 Q CB 0.121 28.846 28.738 -0.022 0.000 0.922 210 Q HN 0.340 nan 8.270 nan 0.000 0.445 211 L N 0.322 121.526 121.223 -0.031 0.000 2.072 211 L HA -0.165 4.176 4.340 0.001 0.000 0.205 211 L C 2.444 179.254 176.870 -0.099 0.000 1.079 211 L CA 1.072 55.883 54.840 -0.048 0.000 0.752 211 L CB -0.307 41.737 42.059 -0.024 0.000 0.906 211 L HN 0.129 nan 8.230 nan 0.000 0.436 212 K N 0.623 120.950 120.400 -0.123 0.000 2.032 212 K HA -0.212 4.109 4.320 0.001 0.000 0.209 212 K C 2.133 178.694 176.600 -0.065 0.000 1.048 212 K CA 1.542 57.739 56.287 -0.150 0.000 0.927 212 K CB -0.169 32.258 32.500 -0.120 0.000 0.712 212 K HN 0.239 nan 8.250 nan 0.000 0.441 213 A N 1.475 124.272 122.820 -0.037 0.000 1.908 213 A HA -0.217 4.103 4.320 0.001 0.000 0.218 213 A C 2.193 179.779 177.584 0.003 0.000 1.181 213 A CA 1.828 53.855 52.037 -0.015 0.000 0.627 213 A CB -0.649 18.340 19.000 -0.017 0.000 0.818 213 A HN 0.543 nan 8.150 nan 0.000 0.445 214 M N -0.421 119.187 119.600 0.012 0.000 2.132 214 M HA -0.064 4.417 4.480 0.001 0.000 0.263 214 M C 1.996 178.376 176.300 0.134 0.000 1.065 214 M CA 1.683 57.029 55.300 0.076 0.000 1.122 214 M CB -0.703 31.926 32.600 0.048 0.000 1.365 214 M HN 0.420 nan 8.290 nan 0.000 0.411 215 L N 0.386 121.645 121.223 0.060 0.000 2.017 215 L HA -0.153 4.187 4.340 0.001 0.000 0.208 215 L C 2.806 179.766 176.870 0.149 0.000 1.073 215 L CA 1.325 56.231 54.840 0.109 0.000 0.745 215 L CB -1.090 40.986 42.059 0.029 0.000 0.894 215 L HN 0.355 nan 8.230 nan 0.000 0.432 216 A N 0.127 123.009 122.820 0.102 0.000 1.883 216 A HA -0.297 4.023 4.320 0.001 0.000 0.217 216 A C 2.404 180.012 177.584 0.041 0.000 1.186 216 A CA 2.239 54.328 52.037 0.086 0.000 0.624 216 A CB -0.582 18.451 19.000 0.055 0.000 0.822 216 A HN 0.357 nan 8.150 nan 0.000 0.444 217 K N -1.207 119.192 120.400 -0.001 0.000 2.063 217 K HA -0.202 4.119 4.320 0.001 0.000 0.208 217 K C 1.297 177.782 176.600 -0.190 0.000 1.048 217 K CA 1.608 57.827 56.287 -0.113 0.000 0.928 217 K CB -0.266 32.124 32.500 -0.184 0.000 0.713 217 K HN 0.684 nan 8.250 nan 0.000 0.442 218 H N -0.952 118.122 119.070 0.007 0.000 2.524 218 H HA 0.098 4.654 4.556 0.001 0.000 0.280 218 H C 0.661 176.002 175.328 0.020 0.000 1.018 218 H CA 0.704 56.755 56.048 0.005 0.000 1.165 218 H CB 0.516 30.274 29.762 -0.006 0.000 1.411 218 H HN 0.554 nan 8.280 nan 0.000 0.569 219 G N 1.748 110.605 108.800 0.095 0.000 2.221 219 G HA2 -0.284 3.676 3.960 0.001 0.000 0.265 219 G HA3 -0.284 3.676 3.960 0.001 0.000 0.265 219 G C 0.060 175.016 174.900 0.094 0.000 1.041 219 G CA 0.096 45.238 45.100 0.071 0.000 0.807 219 G HN 0.353 nan 8.290 nan 0.000 0.502 220 I N 0.251 120.912 120.570 0.152 0.000 2.321 220 I HA 0.476 4.646 4.170 0.001 0.000 0.291 220 I C 0.942 177.190 176.117 0.219 0.000 0.998 220 I CA -0.681 60.721 61.300 0.171 0.000 1.227 220 I CB 1.042 39.170 38.000 0.214 0.000 1.368 220 I HN 0.089 nan 8.210 nan 0.000 0.466 221 R N 2.756 123.274 120.500 0.031 0.000 2.782 221 R HA 0.318 4.658 4.340 0.001 0.000 0.258 221 R C 1.018 176.984 176.300 -0.556 0.000 1.055 221 R CA -0.760 55.208 56.100 -0.220 0.000 1.065 221 R CB 0.873 31.074 30.300 -0.164 0.000 1.172 221 R HN 0.729 nan 8.270 nan 0.000 0.510 222 H N -0.473 117.875 119.070 -1.203 0.000 2.489 222 H HA -0.097 4.460 4.556 0.001 0.000 0.295 222 H C 0.419 175.563 175.328 -0.306 0.000 1.082 222 H CA 1.825 57.337 56.048 -0.894 0.000 1.295 222 H CB 0.029 29.312 29.762 -0.799 0.000 1.380 222 H HN 0.611 nan 8.280 nan 0.000 0.548 223 D N -0.091 119.758 120.400 -0.918 0.000 2.424 223 D HA 0.053 4.693 4.640 0.001 0.000 0.220 223 D C -0.166 175.991 176.300 -0.239 0.000 1.150 223 D CA -0.320 53.339 54.000 -0.570 0.000 0.831 223 D CB -0.452 39.976 40.800 -0.621 0.000 0.981 223 D HN 0.231 nan 8.370 nan 0.000 0.500 224 T N 0.839 115.294 114.554 -0.165 0.000 2.794 224 T HA 0.236 4.587 4.350 0.001 0.000 0.296 224 T C 0.263 174.994 174.700 0.052 0.000 0.949 224 T CA -0.158 61.926 62.100 -0.025 0.000 1.101 224 T CB 1.070 69.940 68.868 0.002 0.000 0.905 224 T HN 0.006 nan 8.240 nan 0.000 0.516 225 T N 3.688 118.319 114.554 0.130 0.000 2.834 225 T HA 0.277 4.627 4.350 0.001 0.000 0.298 225 T C 0.189 175.017 174.700 0.214 0.000 0.966 225 T CA -0.314 61.894 62.100 0.180 0.000 1.141 225 T CB 0.320 69.337 68.868 0.248 0.000 0.905 225 T HN 0.312 nan 8.240 nan 0.000 0.535 226 V N 5.709 125.728 119.914 0.175 0.000 2.384 226 V HA 0.422 4.542 4.120 0.001 0.000 0.287 226 V C 0.018 176.220 176.094 0.181 0.000 1.020 226 V CA -0.727 61.676 62.300 0.172 0.000 0.850 226 V CB 1.333 33.229 31.823 0.121 0.000 0.987 226 V HN 0.771 nan 8.190 nan 0.000 0.436 227 I N 6.513 127.217 120.570 0.222 0.000 2.330 227 I HA 0.408 4.578 4.170 0.001 0.000 0.286 227 I C -0.451 175.796 176.117 0.216 0.000 1.025 227 I CA -0.122 61.313 61.300 0.226 0.000 1.197 227 I CB 1.128 39.292 38.000 0.273 0.000 1.358 227 I HN 0.369 nan 8.210 nan 0.000 0.467 228 L N 7.446 128.771 121.223 0.171 0.000 2.334 228 L HA 0.562 4.902 4.340 0.001 0.000 0.275 228 L C -0.686 176.315 176.870 0.218 0.000 1.036 228 L CA -0.640 54.273 54.840 0.121 0.000 0.807 228 L CB 1.354 43.422 42.059 0.016 0.000 1.231 228 L HN 0.499 nan 8.230 nan 0.000 0.438 229 Y N 0.658 120.993 120.300 0.058 0.000 2.644 229 Y HA 0.949 5.500 4.550 0.001 0.000 0.338 229 Y C -0.423 175.529 175.900 0.088 0.000 1.119 229 Y CA -1.024 57.136 58.100 0.101 0.000 1.060 229 Y CB 1.821 40.373 38.460 0.154 0.000 1.294 229 Y HN 0.534 nan 8.280 nan 0.000 0.472 230 G N 0.926 109.835 108.800 0.182 0.000 2.692 230 G HA2 0.435 4.395 3.960 0.001 0.000 0.291 230 G HA3 0.435 4.395 3.960 0.001 0.000 0.291 230 G C -0.765 174.320 174.900 0.310 0.000 1.423 230 G CA -1.242 43.900 45.100 0.071 0.000 0.843 230 G HN 0.580 nan 8.290 nan 0.000 0.486 231 R N -0.311 120.340 120.500 0.252 0.000 2.133 231 R HA -0.022 4.319 4.340 0.001 0.000 0.247 231 R C 0.223 176.689 176.300 0.276 0.000 1.151 231 R CA 1.439 57.719 56.100 0.301 0.000 0.971 231 R CB 0.023 30.448 30.300 0.209 0.000 0.866 231 R HN 0.515 nan 8.270 nan 0.000 0.447 232 D N -1.315 119.242 120.400 0.261 0.000 2.375 232 D HA 0.102 4.743 4.640 0.001 0.000 0.247 232 D C 0.785 177.249 176.300 0.273 0.000 1.061 232 D CA -0.331 53.829 54.000 0.266 0.000 0.834 232 D CB 2.324 43.373 40.800 0.414 0.000 1.247 232 D HN -0.261 nan 8.370 nan 0.000 0.489 233 V N 2.645 122.684 119.914 0.208 0.000 2.392 233 V HA -0.286 3.834 4.120 0.001 0.000 0.249 233 V C 2.132 178.350 176.094 0.208 0.000 1.059 233 V CA 1.651 64.064 62.300 0.189 0.000 1.051 233 V CB -0.911 31.020 31.823 0.181 0.000 0.658 233 V HN 0.672 nan 8.190 nan 0.000 0.455 234 Y N 0.022 120.353 120.300 0.053 0.000 2.352 234 Y HA -0.028 4.523 4.550 0.001 0.000 0.292 234 Y C 2.401 178.141 175.900 -0.267 0.000 1.136 234 Y CA 0.661 58.751 58.100 -0.017 0.000 1.227 234 Y CB -0.664 37.874 38.460 0.130 0.000 0.991 234 Y HN 0.149 nan 8.280 nan 0.000 0.545 235 A N 1.883 124.605 122.820 -0.163 0.000 1.877 235 A HA -0.091 4.229 4.320 0.001 0.000 0.216 235 A C 2.459 179.720 177.584 -0.538 0.000 1.186 235 A CA 1.884 53.442 52.037 -0.799 0.000 0.620 235 A CB -1.213 17.585 19.000 -0.336 0.000 0.822 235 A HN 0.636 nan 8.150 nan 0.000 0.443 236 A N -0.404 122.268 122.820 -0.247 0.000 1.968 236 A HA 0.264 4.584 4.320 0.001 0.000 0.217 236 A C 2.433 179.912 177.584 -0.175 0.000 1.169 236 A CA 1.759 53.682 52.037 -0.190 0.000 0.638 236 A CB -0.822 18.142 19.000 -0.059 0.000 0.812 236 A HN 0.994 nan 8.150 nan 0.000 0.446 237 A N -0.059 122.667 122.820 -0.157 0.000 1.930 237 A HA -0.083 4.238 4.320 0.001 0.000 0.217 237 A C 2.148 179.607 177.584 -0.208 0.000 1.175 237 A CA 1.932 53.887 52.037 -0.136 0.000 0.627 237 A CB -0.394 18.528 19.000 -0.130 0.000 0.815 237 A HN 0.460 nan 8.150 nan 0.000 0.443 238 R N 0.190 120.469 120.500 -0.369 0.000 2.070 238 R HA -0.085 4.256 4.340 0.001 0.000 0.233 238 R C 1.784 177.885 176.300 -0.333 0.000 1.137 238 R CA 2.278 58.110 56.100 -0.448 0.000 0.945 238 R CB -1.293 28.459 30.300 -0.913 0.000 0.845 238 R HN 0.217 nan 8.270 nan 0.000 0.430 239 V N 1.175 120.883 119.914 -0.344 0.000 2.392 239 V HA -0.244 3.876 4.120 0.001 0.000 0.249 239 V C 2.408 178.414 176.094 -0.148 0.000 1.059 239 V CA 2.024 64.180 62.300 -0.239 0.000 1.051 239 V CB -1.086 30.579 31.823 -0.263 0.000 0.658 239 V HN 0.569 nan 8.190 nan 0.000 0.455 240 A N -0.912 121.834 122.820 -0.122 0.000 1.898 240 A HA -0.247 4.073 4.320 0.001 0.000 0.216 240 A C 2.271 179.847 177.584 -0.013 0.000 1.181 240 A CA 1.785 53.802 52.037 -0.035 0.000 0.620 240 A CB -0.519 18.484 19.000 0.004 0.000 0.819 240 A HN 0.495 nan 8.150 nan 0.000 0.442 241 Q N -0.028 119.721 119.800 -0.084 0.000 2.119 241 Q HA -0.116 4.224 4.340 0.001 0.000 0.201 241 Q C 2.012 177.931 176.000 -0.135 0.000 0.972 241 Q CA 1.589 57.275 55.803 -0.195 0.000 0.847 241 Q CB -0.251 28.211 28.738 -0.461 0.000 0.903 241 Q HN 0.719 nan 8.270 nan 0.000 0.433 242 I N 0.324 120.827 120.570 -0.113 0.000 2.226 242 I HA -0.313 3.858 4.170 0.001 0.000 0.245 242 I C 2.543 178.714 176.117 0.090 0.000 1.100 242 I CA 1.086 62.362 61.300 -0.040 0.000 1.374 242 I CB -0.221 37.725 38.000 -0.090 0.000 1.057 242 I HN 0.211 nan 8.210 nan 0.000 0.413 243 M N -0.175 119.453 119.600 0.047 0.000 2.213 243 M HA -0.192 4.288 4.480 0.001 0.000 0.263 243 M C 2.311 178.692 176.300 0.136 0.000 1.062 243 M CA 1.680 57.033 55.300 0.088 0.000 1.105 243 M CB -0.306 32.337 32.600 0.072 0.000 1.385 243 M HN 0.261 nan 8.290 nan 0.000 0.417 244 L N -1.146 120.155 121.223 0.130 0.000 2.056 244 L HA -0.225 4.116 4.340 0.001 0.000 0.207 244 L C 2.613 179.580 176.870 0.161 0.000 1.078 244 L CA 1.355 56.291 54.840 0.159 0.000 0.749 244 L CB -0.776 41.402 42.059 0.198 0.000 0.901 244 L HN 0.258 nan 8.230 nan 0.000 0.433 245 Y N 0.770 121.081 120.300 0.018 0.000 2.114 245 Y HA -0.351 4.200 4.550 0.001 0.000 0.282 245 Y C 2.409 178.322 175.900 0.022 0.000 1.165 245 Y CA 1.640 59.745 58.100 0.009 0.000 1.148 245 Y CB -0.325 38.110 38.460 -0.041 0.000 0.972 245 Y HN 0.105 nan 8.280 nan 0.000 0.504 246 A N -0.427 122.379 122.820 -0.024 0.000 1.930 246 A HA 0.184 4.505 4.320 0.001 0.000 0.217 246 A C 1.984 179.518 177.584 -0.083 0.000 1.175 246 A CA 1.697 53.628 52.037 -0.177 0.000 0.627 246 A CB -1.162 17.782 19.000 -0.093 0.000 0.815 246 A HN 1.111 nan 8.150 nan 0.000 0.443 247 G N -2.557 106.325 108.800 0.136 0.000 2.276 247 G HA2 0.025 3.986 3.960 0.001 0.000 0.177 247 G HA3 0.025 3.986 3.960 0.001 0.000 0.177 247 G C -0.097 175.053 174.900 0.417 0.000 1.017 247 G CA -0.144 45.132 45.100 0.293 0.000 0.750 247 G HN 0.680 nan 8.290 nan 0.000 0.506 248 V N 1.942 122.104 119.914 0.414 0.000 2.485 248 V HA 0.194 4.315 4.120 0.001 0.000 0.287 248 V C 1.775 177.966 176.094 0.161 0.000 1.022 248 V CA 1.068 63.528 62.300 0.265 0.000 1.067 248 V CB 1.418 33.386 31.823 0.241 0.000 0.967 248 V HN 0.421 nan 8.190 nan 0.000 0.479 249 K N 3.042 123.506 120.400 0.105 0.000 2.076 249 K HA -0.068 4.252 4.320 0.001 0.000 0.204 249 K C 0.645 177.286 176.600 0.069 0.000 1.051 249 K CA 1.002 57.341 56.287 0.086 0.000 0.949 249 K CB 0.227 32.769 32.500 0.070 0.000 0.726 249 K HN 0.747 nan 8.250 nan 0.000 0.443 250 D N 1.101 121.539 120.400 0.063 0.000 2.473 250 D HA 0.184 4.824 4.640 0.001 0.000 0.226 250 D C -1.616 174.739 176.300 0.093 0.000 1.089 250 D CA -0.363 53.677 54.000 0.067 0.000 0.883 250 D CB 1.049 41.890 40.800 0.069 0.000 1.029 250 D HN -0.160 nan 8.370 nan 0.000 0.517 251 V N 4.480 124.449 119.914 0.092 0.000 2.487 251 V HA 0.577 4.698 4.120 0.001 0.000 0.298 251 V C 0.186 176.340 176.094 0.100 0.000 1.028 251 V CA -0.779 61.584 62.300 0.105 0.000 0.860 251 V CB 1.925 33.813 31.823 0.108 0.000 0.991 251 V HN 0.347 nan 8.190 nan 0.000 0.427 252 R N 3.392 123.960 120.500 0.114 0.000 2.807 252 R HA 0.807 5.148 4.340 0.001 0.000 0.276 252 R C -1.463 174.916 176.300 0.131 0.000 0.979 252 R CA -0.627 55.543 56.100 0.115 0.000 0.928 252 R CB 2.275 32.645 30.300 0.116 0.000 1.191 252 R HN 0.599 nan 8.270 nan 0.000 0.471 253 L N 2.246 123.554 121.223 0.142 0.000 2.346 253 L HA 0.460 4.801 4.340 0.001 0.000 0.274 253 L C -0.714 176.268 176.870 0.186 0.000 1.007 253 L CA -1.235 53.704 54.840 0.164 0.000 0.818 253 L CB 1.698 43.855 42.059 0.164 0.000 1.284 253 L HN 0.364 nan 8.230 nan 0.000 0.424 254 L N 2.988 124.339 121.223 0.214 0.000 2.515 254 L HA 0.112 4.452 4.340 0.001 0.000 0.281 254 L C 0.142 177.135 176.870 0.205 0.000 1.131 254 L CA 0.144 55.109 54.840 0.208 0.000 0.905 254 L CB -0.318 41.877 42.059 0.227 0.000 1.246 254 L HN 0.409 nan 8.230 nan 0.000 0.463 255 D N 4.494 125.009 120.400 0.192 0.000 2.570 255 D HA 0.231 4.871 4.640 0.001 0.000 0.243 255 D C 1.264 177.641 176.300 0.128 0.000 1.171 255 D CA 1.597 55.703 54.000 0.177 0.000 0.879 255 D CB 0.398 41.299 40.800 0.168 0.000 1.143 255 D HN 0.886 nan 8.370 nan 0.000 0.511 256 G N 2.164 111.022 108.800 0.097 0.000 2.217 256 G HA2 -0.068 3.893 3.960 0.001 0.000 0.246 256 G HA3 -0.068 3.893 3.960 0.001 0.000 0.246 256 G C 0.933 175.886 174.900 0.088 0.000 0.990 256 G CA 0.346 45.461 45.100 0.024 0.000 0.627 256 G HN 1.559 nan 8.290 nan 0.000 0.522 257 G N -0.854 108.052 108.800 0.178 0.000 2.645 257 G HA2 -0.187 3.773 3.960 0.001 0.000 0.239 257 G HA3 -0.187 3.773 3.960 0.001 0.000 0.239 257 G C 0.926 176.030 174.900 0.340 0.000 1.331 257 G CA 0.835 46.110 45.100 0.291 0.000 0.890 257 G HN 1.570 nan 8.290 nan 0.000 0.572 258 W N 0.545 122.014 121.300 0.282 0.000 2.363 258 W HA -0.107 4.554 4.660 0.001 0.000 0.296 258 W C 2.148 178.788 176.519 0.202 0.000 1.212 258 W CA 2.509 60.005 57.345 0.251 0.000 1.260 258 W CB -0.245 29.429 29.460 0.357 0.000 1.131 258 W HN 0.619 nan 8.180 nan 0.000 0.530 259 Q N 0.981 120.810 119.800 0.048 0.000 2.112 259 Q HA -0.223 4.118 4.340 0.001 0.000 0.206 259 Q C 2.485 178.374 176.000 -0.185 0.000 0.987 259 Q CA 3.625 59.357 55.803 -0.117 0.000 0.858 259 Q CB -0.995 27.768 28.738 0.043 0.000 0.905 259 Q HN 0.411 nan 8.270 nan 0.000 0.420 260 T N -2.816 111.690 114.554 -0.079 0.000 2.833 260 T HA -0.168 4.183 4.350 0.001 0.000 0.269 260 T C 1.563 176.184 174.700 -0.131 0.000 1.054 260 T CA 1.134 63.194 62.100 -0.067 0.000 1.135 260 T CB -0.718 68.161 68.868 0.018 0.000 0.869 260 T HN 0.535 nan 8.240 nan 0.000 0.466 261 W N 1.323 122.394 121.300 -0.381 0.000 2.409 261 W HA 0.030 4.690 4.660 0.001 0.000 0.299 261 W C 2.581 178.728 176.519 -0.620 0.000 1.203 261 W CA 1.012 58.081 57.345 -0.461 0.000 1.298 261 W CB -0.497 28.659 29.460 -0.506 0.000 1.127 261 W HN 0.398 nan 8.180 nan 0.000 0.528 262 S N 0.810 116.082 115.700 -0.713 0.000 2.348 262 S HA -0.203 4.268 4.470 0.001 0.000 0.221 262 S C 1.333 175.724 174.600 -0.348 0.000 1.033 262 S CA 2.083 59.904 58.200 -0.632 0.000 1.010 262 S CB -0.501 62.302 63.200 -0.662 0.000 0.891 262 S HN 0.135 nan 8.310 nan 0.000 0.442 263 D N 1.172 121.406 120.400 -0.277 0.000 2.218 263 D HA 0.034 4.674 4.640 0.001 0.000 0.204 263 D C 1.892 178.068 176.300 -0.207 0.000 0.976 263 D CA 1.062 54.952 54.000 -0.183 0.000 0.853 263 D CB -0.425 40.301 40.800 -0.123 0.000 0.939 263 D HN 0.473 nan 8.370 nan 0.000 0.481 264 A N -0.018 122.626 122.820 -0.294 0.000 2.119 264 A HA 0.292 4.613 4.320 0.001 0.000 0.216 264 A C 1.830 179.204 177.584 -0.351 0.000 1.152 264 A CA 1.146 52.989 52.037 -0.322 0.000 0.708 264 A CB -0.433 18.308 19.000 -0.431 0.000 0.805 264 A HN 0.247 nan 8.150 nan 0.000 0.460 265 G N -0.810 107.779 108.800 -0.352 0.000 2.249 265 G HA2 -0.233 3.727 3.960 0.001 0.000 0.273 265 G HA3 -0.233 3.727 3.960 0.001 0.000 0.273 265 G C 0.070 174.747 174.900 -0.371 0.000 1.036 265 G CA 0.482 45.410 45.100 -0.287 0.000 0.824 265 G HN 0.467 nan 8.290 nan 0.000 0.504 266 L N -0.064 120.783 121.223 -0.625 0.000 2.466 266 L HA 0.409 4.749 4.340 0.001 0.000 0.257 266 L C -1.176 175.538 176.870 -0.260 0.000 1.189 266 L CA -2.049 52.358 54.840 -0.721 0.000 0.813 266 L CB 0.211 41.344 42.059 -1.544 0.000 1.118 266 L HN -0.036 nan 8.230 nan 0.000 0.471 267 P HA 0.097 nan 4.420 nan 0.000 0.269 267 P C -1.033 176.472 177.300 0.342 0.000 1.217 267 P CA -0.180 62.999 63.100 0.132 0.000 0.783 267 P CB 0.650 32.447 31.700 0.161 0.000 0.898 268 V N -1.767 118.282 119.914 0.224 0.000 3.126 268 V HA 0.661 4.782 4.120 0.001 0.000 0.314 268 V C -0.435 175.654 176.094 -0.008 0.000 1.138 268 V CA -0.846 61.567 62.300 0.189 0.000 1.034 268 V CB 2.150 34.117 31.823 0.241 0.000 1.075 268 V HN 0.429 nan 8.190 nan 0.000 0.442 269 E N 0.385 120.436 120.200 -0.248 0.000 2.339 269 E HA 0.769 5.120 4.350 0.001 0.000 0.262 269 E C -0.920 175.246 176.600 -0.723 0.000 0.934 269 E CA -1.067 55.104 56.400 -0.381 0.000 0.802 269 E CB 2.693 32.231 29.700 -0.271 0.000 1.275 269 E HN 0.865 nan 8.360 nan 0.000 0.427 270 R N -0.467 119.783 120.500 -0.417 0.000 2.947 270 R HA 0.836 5.177 4.340 0.001 0.000 0.253 270 R C -0.025 176.286 176.300 0.019 0.000 1.208 270 R CA -0.590 55.358 56.100 -0.252 0.000 1.012 270 R CB 0.759 30.990 30.300 -0.116 0.000 1.267 270 R HN 0.703 nan 8.270 nan 0.000 0.473 271 G N 0.238 109.080 108.800 0.071 0.000 2.760 271 G HA2 -0.208 3.752 3.960 0.001 0.000 0.246 271 G HA3 -0.208 3.752 3.960 0.001 0.000 0.246 271 G C -0.222 174.800 174.900 0.203 0.000 1.359 271 G CA -0.358 44.808 45.100 0.111 0.000 0.861 271 G HN 1.101 nan 8.290 nan 0.000 0.541 272 T N -0.070 114.570 114.554 0.144 0.000 2.856 272 T HA 0.560 4.911 4.350 0.001 0.000 0.306 272 T C -1.968 172.845 174.700 0.188 0.000 1.062 272 T CA -0.304 61.874 62.100 0.130 0.000 1.083 272 T CB 1.326 70.218 68.868 0.039 0.000 0.984 272 T HN 0.629 nan 8.240 nan 0.000 0.542 273 P HA 0.254 nan 4.420 nan 0.000 0.271 273 P C -2.217 175.131 177.300 0.080 0.000 1.220 273 P CA -1.203 61.967 63.100 0.117 0.000 0.768 273 P CB -0.634 31.029 31.700 -0.062 0.000 0.848 274 P HA 0.072 nan 4.420 nan 0.000 0.269 274 P C -0.065 177.253 177.300 0.031 0.000 1.215 274 P CA -0.238 62.900 63.100 0.063 0.000 0.780 274 P CB 0.468 32.213 31.700 0.074 0.000 0.898 275 K N 1.763 122.171 120.400 0.012 0.000 2.543 275 K HA 0.062 4.382 4.320 0.001 0.000 0.279 275 K C -0.882 175.712 176.600 -0.010 0.000 1.001 275 K CA 0.374 56.656 56.287 -0.008 0.000 1.088 275 K CB -0.240 32.254 32.500 -0.009 0.000 0.863 275 K HN 0.172 nan 8.250 nan 0.000 0.488 276 V N 5.209 125.105 119.914 -0.030 0.000 2.483 276 V HA 0.226 4.347 4.120 0.001 0.000 0.295 276 V C 0.098 176.172 176.094 -0.034 0.000 1.035 276 V CA -0.825 61.459 62.300 -0.027 0.000 0.896 276 V CB 1.532 33.340 31.823 -0.026 0.000 0.986 276 V HN 0.799 nan 8.190 nan 0.000 0.447 277 K N 3.614 124.000 120.400 -0.023 0.000 2.338 277 K HA 0.484 4.805 4.320 0.001 0.000 0.290 277 K C 0.346 176.936 176.600 -0.016 0.000 1.069 277 K CA -0.275 55.999 56.287 -0.021 0.000 0.941 277 K CB 0.578 33.066 32.500 -0.020 0.000 1.023 277 K HN 0.901 nan 8.250 nan 0.000 0.477 278 A N 4.422 127.230 122.820 -0.019 0.000 2.561 278 A HA -0.005 4.315 4.320 0.001 0.000 0.234 278 A C -0.275 177.315 177.584 0.011 0.000 1.055 278 A CA 0.391 52.423 52.037 -0.008 0.000 0.756 278 A CB 0.208 19.200 19.000 -0.014 0.000 0.986 278 A HN 0.763 nan 8.150 nan 0.000 0.505 279 E N 2.485 122.705 120.200 0.034 0.000 2.346 279 E HA 0.250 4.601 4.350 0.001 0.000 0.239 279 E C -2.156 174.487 176.600 0.072 0.000 0.943 279 E CA -1.542 54.887 56.400 0.049 0.000 0.751 279 E CB 1.249 30.984 29.700 0.057 0.000 1.241 279 E HN 0.410 nan 8.360 nan 0.000 0.423 280 P HA -0.044 nan 4.420 nan 0.000 0.225 280 P C 0.141 177.491 177.300 0.083 0.000 1.156 280 P CA 0.638 63.772 63.100 0.057 0.000 0.787 280 P CB 0.430 32.150 31.700 0.033 0.000 0.802 281 D N -1.039 119.414 120.400 0.088 0.000 2.427 281 D HA 0.092 4.732 4.640 0.001 0.000 0.226 281 D C 0.359 176.756 176.300 0.160 0.000 1.076 281 D CA -0.794 53.270 54.000 0.106 0.000 0.849 281 D CB 0.012 40.851 40.800 0.066 0.000 1.052 281 D HN -0.186 nan 8.370 nan 0.000 0.515 282 F N 3.497 123.476 119.950 0.048 0.000 2.234 282 F HA 0.123 4.650 4.527 0.001 0.000 0.299 282 F C 2.010 177.891 175.800 0.134 0.000 1.087 282 F CA 1.865 59.912 58.000 0.079 0.000 1.340 282 F CB 0.190 39.221 39.000 0.051 0.000 1.031 282 F HN 0.619 nan 8.300 nan 0.000 0.500 283 G N -0.117 108.739 108.800 0.093 0.000 2.213 283 G HA2 -0.169 3.791 3.960 0.001 0.000 0.236 283 G HA3 -0.169 3.791 3.960 0.001 0.000 0.236 283 G C 0.040 174.792 174.900 -0.246 0.000 0.991 283 G CA 0.300 45.372 45.100 -0.048 0.000 0.629 283 G HN 1.153 nan 8.290 nan 0.000 0.517 284 V N -3.267 116.581 119.914 -0.109 0.000 3.188 284 V HA 0.829 4.949 4.120 0.001 0.000 0.305 284 V C -0.116 176.048 176.094 0.117 0.000 1.232 284 V CA -1.478 60.782 62.300 -0.068 0.000 1.043 284 V CB 1.610 33.331 31.823 -0.169 0.000 1.068 284 V HN 0.260 nan 8.190 nan 0.000 0.439 285 K N 1.824 122.249 120.400 0.041 0.000 2.368 285 K HA 0.538 4.858 4.320 0.001 0.000 0.282 285 K C -0.570 176.034 176.600 0.007 0.000 1.035 285 K CA -0.006 56.295 56.287 0.023 0.000 0.973 285 K CB 0.756 33.251 32.500 -0.009 0.000 0.957 285 K HN 0.606 nan 8.250 nan 0.000 0.474 286 I N 6.370 126.909 120.570 -0.051 0.000 2.342 286 I HA 0.192 4.363 4.170 0.001 0.000 0.291 286 I C -1.800 174.232 176.117 -0.141 0.000 1.010 286 I CA -2.065 59.143 61.300 -0.153 0.000 1.308 286 I CB 1.043 38.883 38.000 -0.266 0.000 1.400 286 I HN 0.452 nan 8.210 nan 0.000 0.488 287 P HA 0.288 nan 4.420 nan 0.000 0.294 287 P C -0.127 177.023 177.300 -0.250 0.000 1.294 287 P CA -0.525 62.335 63.100 -0.400 0.000 0.827 287 P CB 1.974 33.163 31.700 -0.853 0.000 0.992 288 A N 2.861 125.581 122.820 -0.166 0.000 2.132 288 A HA 0.002 4.322 4.320 0.001 0.000 0.213 288 A C 0.899 178.442 177.584 -0.069 0.000 1.154 288 A CA 0.897 52.895 52.037 -0.065 0.000 0.753 288 A CB -0.242 18.775 19.000 0.028 0.000 0.826 288 A HN 0.478 nan 8.150 nan 0.000 0.469 289 Q N -0.600 119.118 119.800 -0.137 0.000 2.928 289 Q HA 0.174 4.515 4.340 0.001 0.000 0.353 289 Q C -2.278 173.692 176.000 -0.050 0.000 0.870 289 Q CA -1.509 54.269 55.803 -0.042 0.000 0.963 289 Q CB 1.065 29.833 28.738 0.051 0.000 1.419 289 Q HN 0.424 nan 8.270 nan 0.000 0.396 290 P HA -0.192 nan 4.420 nan 0.000 0.222 290 P C 1.197 178.626 177.300 0.216 0.000 1.147 290 P CA 1.135 64.272 63.100 0.061 0.000 0.790 290 P CB 0.350 32.072 31.700 0.036 0.000 0.780 291 Q N 0.434 120.321 119.800 0.144 0.000 2.437 291 Q HA -0.079 4.262 4.340 0.001 0.000 0.210 291 Q C 1.862 177.977 176.000 0.191 0.000 0.972 291 Q CA 1.007 56.899 55.803 0.149 0.000 0.903 291 Q CB -1.346 27.461 28.738 0.115 0.000 0.967 291 Q HN 0.328 nan 8.270 nan 0.000 0.486 292 L N -0.460 120.903 121.223 0.234 0.000 2.465 292 L HA 0.145 4.485 4.340 0.001 0.000 0.224 292 L C 0.892 177.850 176.870 0.146 0.000 1.145 292 L CA 0.229 55.211 54.840 0.237 0.000 0.834 292 L CB -0.072 42.130 42.059 0.237 0.000 0.944 292 L HN 0.201 nan 8.230 nan 0.000 0.451 293 M N 0.320 120.019 119.600 0.166 0.000 2.259 293 M HA 0.451 4.931 4.480 0.001 0.000 0.304 293 M C -1.105 175.259 176.300 0.107 0.000 1.019 293 M CA -0.160 55.175 55.300 0.058 0.000 0.922 293 M CB 1.722 34.233 32.600 -0.147 0.000 1.600 293 M HN -0.170 nan 8.290 nan 0.000 0.433 294 L N 3.414 124.722 121.223 0.141 0.000 2.360 294 L HA 0.570 4.911 4.340 0.001 0.000 0.271 294 L C -0.222 176.776 176.870 0.214 0.000 1.057 294 L CA -1.050 53.882 54.840 0.152 0.000 0.803 294 L CB 1.332 43.470 42.059 0.132 0.000 1.207 294 L HN 0.709 nan 8.230 nan 0.000 0.445 295 D N 0.917 121.401 120.400 0.140 0.000 2.529 295 D HA 0.154 4.794 4.640 0.001 0.000 0.273 295 D C 0.920 177.255 176.300 0.059 0.000 1.197 295 D CA -0.689 53.413 54.000 0.172 0.000 1.070 295 D CB 0.859 41.713 40.800 0.090 0.000 1.134 295 D HN 0.547 nan 8.370 nan 0.000 0.590 296 M N -0.272 119.389 119.600 0.102 0.000 2.082 296 M HA -0.205 4.275 4.480 0.001 0.000 0.258 296 M C 1.437 177.662 176.300 -0.124 0.000 1.069 296 M CA 1.722 56.982 55.300 -0.067 0.000 1.102 296 M CB -0.037 32.594 32.600 0.052 0.000 1.336 296 M HN 0.342 nan 8.290 nan 0.000 0.404 297 E N 0.094 120.255 120.200 -0.065 0.000 2.106 297 E HA -0.203 4.148 4.350 0.001 0.000 0.192 297 E C 1.908 178.480 176.600 -0.046 0.000 0.984 297 E CA 1.369 57.738 56.400 -0.051 0.000 0.806 297 E CB -0.605 29.073 29.700 -0.037 0.000 0.750 297 E HN 0.688 nan 8.360 nan 0.000 0.458 298 Q N 0.679 120.449 119.800 -0.051 0.000 2.079 298 Q HA -0.024 4.316 4.340 0.001 0.000 0.200 298 Q C 2.214 178.163 176.000 -0.085 0.000 0.974 298 Q CA 1.662 57.441 55.803 -0.039 0.000 0.840 298 Q CB -0.246 28.489 28.738 -0.005 0.000 0.898 298 Q HN 0.302 nan 8.270 nan 0.000 0.430 299 A N 1.209 123.903 122.820 -0.211 0.000 1.877 299 A HA -0.225 4.095 4.320 0.001 0.000 0.216 299 A C 2.040 179.514 177.584 -0.182 0.000 1.186 299 A CA 1.585 53.427 52.037 -0.324 0.000 0.620 299 A CB -0.574 17.835 19.000 -0.986 0.000 0.822 299 A HN 0.241 nan 8.150 nan 0.000 0.443 300 R N -0.493 119.972 120.500 -0.059 0.000 2.127 300 R HA -0.135 4.205 4.340 0.001 0.000 0.238 300 R C 2.058 178.386 176.300 0.046 0.000 1.134 300 R CA 1.412 57.582 56.100 0.116 0.000 0.975 300 R CB -0.618 29.808 30.300 0.210 0.000 0.865 300 R HN 0.485 nan 8.270 nan 0.000 0.447 301 G N 0.335 109.140 108.800 0.008 0.000 2.559 301 G HA2 -0.130 3.831 3.960 0.001 0.000 0.216 301 G HA3 -0.130 3.831 3.960 0.001 0.000 0.216 301 G C 1.283 176.186 174.900 0.006 0.000 1.126 301 G CA 0.129 45.238 45.100 0.015 0.000 0.778 301 G HN 0.251 nan 8.290 nan 0.000 0.543 302 L N -0.121 121.089 121.223 -0.022 0.000 2.418 302 L HA 0.280 4.621 4.340 0.001 0.000 0.218 302 L C 0.989 177.832 176.870 -0.045 0.000 1.125 302 L CA -0.236 54.587 54.840 -0.028 0.000 0.835 302 L CB -0.209 41.823 42.059 -0.045 0.000 0.953 302 L HN 0.104 nan 8.230 nan 0.000 0.454 303 L N 0.256 121.433 121.223 -0.076 0.000 2.439 303 L HA 0.080 4.421 4.340 0.001 0.000 0.269 303 L C 0.508 177.280 176.870 -0.164 0.000 1.179 303 L CA -0.223 54.475 54.840 -0.238 0.000 0.828 303 L CB 0.060 41.929 42.059 -0.316 0.000 1.106 303 L HN 0.310 nan 8.230 nan 0.000 0.467 304 H N 1.047 120.156 119.070 0.065 0.000 2.826 304 H HA -0.133 4.424 4.556 0.001 0.000 0.306 304 H C -0.292 175.067 175.328 0.052 0.000 1.235 304 H CA 0.447 56.533 56.048 0.063 0.000 1.150 304 H CB -1.284 28.513 29.762 0.059 0.000 1.409 304 H HN 0.591 nan 8.280 nan 0.000 0.420 305 R N -0.040 120.516 120.500 0.093 0.000 2.744 305 R HA 0.217 4.558 4.340 0.001 0.000 0.279 305 R C 1.164 177.501 176.300 0.061 0.000 0.977 305 R CA -0.688 55.455 56.100 0.072 0.000 0.906 305 R CB 1.594 31.923 30.300 0.047 0.000 1.197 305 R HN -0.019 nan 8.270 nan 0.000 0.463 306 Q N 1.123 120.955 119.800 0.054 0.000 2.172 306 Q HA -0.114 4.226 4.340 0.001 0.000 0.200 306 Q C 0.728 176.746 176.000 0.031 0.000 0.964 306 Q CA 1.906 57.736 55.803 0.045 0.000 0.855 306 Q CB 0.229 28.991 28.738 0.039 0.000 0.918 306 Q HN 0.664 nan 8.270 nan 0.000 0.444 307 D N -1.061 119.353 120.400 0.023 0.000 2.328 307 D HA 0.251 4.892 4.640 0.001 0.000 0.221 307 D C -0.332 175.971 176.300 0.005 0.000 1.072 307 D CA 0.388 54.395 54.000 0.010 0.000 0.850 307 D CB 0.103 40.908 40.800 0.010 0.000 0.922 307 D HN 0.174 nan 8.370 nan 0.000 0.516 308 A N -0.758 122.068 122.820 0.010 0.000 2.594 308 A HA 0.686 5.006 4.320 0.001 0.000 0.295 308 A C -1.163 176.420 177.584 -0.001 0.000 1.071 308 A CA -0.709 51.328 52.037 -0.000 0.000 0.685 308 A CB 1.784 20.784 19.000 0.000 0.000 1.285 308 A HN -0.011 nan 8.150 nan 0.000 0.405 309 S N 0.088 115.774 115.700 -0.024 0.000 2.575 309 S HA 0.578 5.049 4.470 0.001 0.000 0.278 309 S C -1.432 173.130 174.600 -0.064 0.000 1.139 309 S CA -0.389 57.794 58.200 -0.028 0.000 0.954 309 S CB 1.461 64.646 63.200 -0.024 0.000 1.054 309 S HN 1.052 nan 8.310 nan 0.000 0.483 310 L N 4.441 125.647 121.223 -0.029 0.000 2.265 310 L HA 0.657 4.998 4.340 0.001 0.000 0.289 310 L C -1.194 175.733 176.870 0.096 0.000 1.033 310 L CA -0.301 54.548 54.840 0.015 0.000 0.814 310 L CB 0.949 42.992 42.059 -0.027 0.000 1.203 310 L HN 0.454 nan 8.230 nan 0.000 0.423 311 V N 4.208 124.153 119.914 0.051 0.000 2.347 311 V HA 0.376 4.497 4.120 0.001 0.000 0.280 311 V C 0.396 176.441 176.094 -0.082 0.000 1.021 311 V CA -0.487 61.795 62.300 -0.030 0.000 0.847 311 V CB 1.249 32.928 31.823 -0.241 0.000 0.990 311 V HN 0.835 nan 8.190 nan 0.000 0.444 312 S N 5.999 121.614 115.700 -0.141 0.000 2.448 312 S HA 0.389 4.860 4.470 0.001 0.000 0.279 312 S C -0.008 174.504 174.600 -0.147 0.000 1.195 312 S CA -0.586 57.343 58.200 -0.453 0.000 1.051 312 S CB -0.028 63.147 63.200 -0.042 0.000 0.948 312 S HN 0.494 nan 8.310 nan 0.000 0.493 313 I N 6.735 127.192 120.570 -0.189 0.000 2.517 313 I HA 0.370 4.541 4.170 0.001 0.000 0.289 313 I C 0.523 176.678 176.117 0.062 0.000 1.149 313 I CA 0.109 61.413 61.300 0.006 0.000 1.189 313 I CB -0.676 37.326 38.000 0.004 0.000 1.641 313 I HN 0.591 nan 8.210 nan 0.000 0.560 314 R N 1.287 121.883 120.500 0.160 0.000 2.795 314 R HA 0.482 4.822 4.340 0.001 0.000 0.275 314 R C 0.225 176.730 176.300 0.342 0.000 0.981 314 R CA -0.665 55.549 56.100 0.190 0.000 0.917 314 R CB 2.461 32.825 30.300 0.107 0.000 1.202 314 R HN 0.428 nan 8.270 nan 0.000 0.469 315 S N 0.603 116.447 115.700 0.239 0.000 2.576 315 S HA -0.065 4.405 4.470 0.001 0.000 0.272 315 S C 1.090 175.848 174.600 0.264 0.000 1.352 315 S CA -0.690 57.686 58.200 0.294 0.000 1.021 315 S CB 0.601 63.902 63.200 0.167 0.000 0.887 315 S HN 0.822 nan 8.310 nan 0.000 0.542 316 W N 2.248 123.597 121.300 0.083 0.000 2.318 316 W HA -0.077 4.583 4.660 0.001 0.000 0.313 316 W C -1.624 174.801 176.519 -0.156 0.000 1.221 316 W CA 1.744 58.936 57.345 -0.255 0.000 1.266 316 W CB -1.659 27.693 29.460 -0.180 0.000 1.150 316 W HN 0.596 nan 8.180 nan 0.000 0.496 317 P HA -0.169 nan 4.420 nan 0.000 0.218 317 P C 1.116 178.273 177.300 -0.239 0.000 1.149 317 P CA 2.142 65.126 63.100 -0.193 0.000 0.817 317 P CB -0.287 31.385 31.700 -0.046 0.000 0.785 318 E N -1.488 118.612 120.200 -0.166 0.000 2.047 318 E HA -0.167 4.183 4.350 0.001 0.000 0.191 318 E C 1.747 178.148 176.600 -0.332 0.000 0.987 318 E CA 0.791 57.062 56.400 -0.215 0.000 0.799 318 E CB -0.636 28.995 29.700 -0.114 0.000 0.752 318 E HN 0.162 nan 8.360 nan 0.000 0.449 319 F N 1.517 121.159 119.950 -0.513 0.000 2.202 319 F HA -0.133 4.394 4.527 0.001 0.000 0.301 319 F C 1.982 177.371 175.800 -0.686 0.000 1.082 319 F CA 1.266 58.882 58.000 -0.640 0.000 1.313 319 F CB 0.056 38.499 39.000 -0.928 0.000 1.024 319 F HN 0.006 nan 8.300 nan 0.000 0.495 320 I N -3.510 116.629 120.570 -0.718 0.000 3.860 320 I HA 0.443 4.613 4.170 0.001 0.000 0.319 320 I C 1.490 177.319 176.117 -0.480 0.000 1.279 320 I CA 0.732 61.601 61.300 -0.719 0.000 1.220 320 I CB -0.278 37.185 38.000 -0.893 0.000 1.027 320 I HN 0.130 nan 8.210 nan 0.000 0.428 321 G N 1.450 109.993 108.800 -0.428 0.000 2.132 321 G HA2 -0.259 3.701 3.960 0.001 0.000 0.234 321 G HA3 -0.259 3.701 3.960 0.001 0.000 0.234 321 G C 0.591 175.370 174.900 -0.201 0.000 0.989 321 G CA 0.516 45.436 45.100 -0.300 0.000 0.676 321 G HN 0.353 nan 8.290 nan 0.000 0.522 322 T N -0.604 113.826 114.554 -0.206 0.000 2.821 322 T HA 0.227 4.578 4.350 0.001 0.000 0.267 322 T C 1.179 175.824 174.700 -0.092 0.000 1.046 322 T CA 2.129 64.150 62.100 -0.131 0.000 1.139 322 T CB 0.129 68.924 68.868 -0.120 0.000 0.871 322 T HN 0.902 nan 8.240 nan 0.000 0.454 323 T N -0.539 113.950 114.554 -0.107 0.000 2.868 323 T HA 0.391 4.742 4.350 0.001 0.000 0.306 323 T C 1.038 175.696 174.700 -0.070 0.000 1.224 323 T CA -0.143 61.917 62.100 -0.067 0.000 1.012 323 T CB 1.742 70.571 68.868 -0.065 0.000 1.221 323 T HN 0.013 nan 8.240 nan 0.000 0.499 324 S N 1.337 117.041 115.700 0.007 0.000 2.461 324 S HA 0.311 4.782 4.470 0.001 0.000 0.228 324 S C 1.830 176.500 174.600 0.117 0.000 1.005 324 S CA 1.207 59.463 58.200 0.093 0.000 0.942 324 S CB -0.385 62.962 63.200 0.244 0.000 0.776 324 S HN 2.085 nan 8.310 nan 0.000 0.514 325 G N -0.395 108.395 108.800 -0.017 0.000 2.195 325 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 325 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 325 G C -0.149 174.428 174.900 -0.539 0.000 0.984 325 G CA 0.266 45.227 45.100 -0.233 0.000 0.633 325 G HN 0.601 nan 8.290 nan 0.000 0.525 326 Y N -0.296 119.872 120.300 -0.219 0.000 2.433 326 Y HA 0.571 5.121 4.550 0.001 0.000 0.337 326 Y C 1.425 177.103 175.900 -0.371 0.000 1.026 326 Y CA -0.107 57.740 58.100 -0.422 0.000 1.037 326 Y CB 1.906 39.902 38.460 -0.773 0.000 1.245 326 Y HN -0.004 nan 8.280 nan 0.000 0.443 327 S N 0.991 116.589 115.700 -0.171 0.000 2.392 327 S HA -0.275 4.196 4.470 0.001 0.000 0.232 327 S C 1.233 175.833 174.600 0.001 0.000 1.041 327 S CA 2.420 60.589 58.200 -0.052 0.000 1.026 327 S CB -0.382 62.839 63.200 0.035 0.000 0.845 327 S HN 0.807 nan 8.310 nan 0.000 0.465 328 Y N -0.839 119.479 120.300 0.030 0.000 2.458 328 Y HA 0.574 5.124 4.550 0.001 0.000 0.256 328 Y C 0.238 176.159 175.900 0.035 0.000 1.159 328 Y CA -0.772 57.337 58.100 0.015 0.000 1.261 328 Y CB -0.140 38.306 38.460 -0.023 0.000 1.119 328 Y HN 0.031 nan 8.280 nan 0.000 0.524 329 I N 2.283 122.766 120.570 -0.144 0.000 2.328 329 I HA 0.240 4.411 4.170 0.001 0.000 0.287 329 I C 0.914 177.099 176.117 0.114 0.000 1.012 329 I CA -0.506 60.813 61.300 0.032 0.000 1.195 329 I CB 1.956 39.946 38.000 -0.016 0.000 1.350 329 I HN 0.115 nan 8.210 nan 0.000 0.464 330 K N 6.241 126.724 120.400 0.139 0.000 2.076 330 K HA 0.121 4.442 4.320 0.001 0.000 0.204 330 K C -1.428 175.270 176.600 0.162 0.000 1.051 330 K CA 0.458 56.818 56.287 0.123 0.000 0.949 330 K CB -0.416 32.142 32.500 0.096 0.000 0.726 330 K HN 0.371 nan 8.250 nan 0.000 0.443 331 P HA 0.069 nan 4.420 nan 0.000 0.271 331 P C -1.332 176.283 177.300 0.526 0.000 1.216 331 P CA 0.281 63.549 63.100 0.280 0.000 0.776 331 P CB 1.056 32.852 31.700 0.160 0.000 0.881 332 K N 1.680 122.324 120.400 0.407 0.000 2.259 332 K HA 0.761 5.081 4.320 0.001 0.000 0.252 332 K C 0.116 176.796 176.600 0.133 0.000 0.936 332 K CA -0.684 55.737 56.287 0.224 0.000 0.810 332 K CB 2.107 34.645 32.500 0.063 0.000 1.143 332 K HN 0.787 nan 8.250 nan 0.000 0.427 333 G N 1.224 109.806 108.800 -0.363 0.000 2.325 333 G HA2 0.023 3.984 3.960 0.001 0.000 0.285 333 G HA3 0.023 3.984 3.960 0.001 0.000 0.285 333 G C -1.838 172.375 174.900 -1.145 0.000 1.303 333 G CA -0.654 44.156 45.100 -0.482 0.000 0.970 333 G HN 0.505 nan 8.290 nan 0.000 0.490 334 E N -1.217 118.558 120.200 -0.709 0.000 2.410 334 E HA 0.720 5.071 4.350 0.001 0.000 0.269 334 E C -0.132 176.389 176.600 -0.132 0.000 0.937 334 E CA -0.959 55.075 56.400 -0.610 0.000 0.793 334 E CB 1.533 30.842 29.700 -0.650 0.000 1.314 334 E HN 0.608 nan 8.360 nan 0.000 0.447 335 I N 2.338 122.851 120.570 -0.094 0.000 2.581 335 I HA 0.201 4.371 4.170 0.001 0.000 0.285 335 I C 0.260 176.278 176.117 -0.165 0.000 1.129 335 I CA -0.234 60.860 61.300 -0.343 0.000 1.397 335 I CB 0.540 38.022 38.000 -0.863 0.000 1.399 335 I HN 0.517 nan 8.210 nan 0.000 0.537 336 A N 5.216 128.037 122.820 0.002 0.000 2.524 336 A HA 0.440 4.761 4.320 0.001 0.000 0.250 336 A C 1.289 178.907 177.584 0.056 0.000 1.078 336 A CA 0.584 52.664 52.037 0.072 0.000 0.761 336 A CB -0.070 19.039 19.000 0.182 0.000 1.012 336 A HN 1.188 nan 8.150 nan 0.000 0.500 337 G N 1.136 109.982 108.800 0.077 0.000 2.217 337 G HA2 0.117 4.078 3.960 0.001 0.000 0.246 337 G HA3 0.117 4.078 3.960 0.001 0.000 0.246 337 G C 0.692 175.585 174.900 -0.012 0.000 0.990 337 G CA 0.374 45.459 45.100 -0.025 0.000 0.627 337 G HN 2.251 nan 8.290 nan 0.000 0.522 338 A N 0.664 123.502 122.820 0.030 0.000 2.540 338 A HA 0.577 4.898 4.320 0.001 0.000 0.239 338 A C 0.780 178.533 177.584 0.282 0.000 1.061 338 A CA 0.516 52.648 52.037 0.160 0.000 0.758 338 A CB 0.116 19.293 19.000 0.294 0.000 0.991 338 A HN 0.549 nan 8.150 nan 0.000 0.502 339 R N 1.413 122.056 120.500 0.238 0.000 2.254 339 R HA 0.130 4.470 4.340 0.001 0.000 0.318 339 R C -0.881 175.386 176.300 -0.054 0.000 1.031 339 R CA -0.389 55.877 56.100 0.277 0.000 0.905 339 R CB 0.926 31.421 30.300 0.324 0.000 1.050 339 R HN 0.791 nan 8.270 nan 0.000 0.456 340 W N 3.172 123.843 121.300 -1.048 0.000 2.381 340 W HA 0.107 4.767 4.660 0.001 0.000 0.321 340 W C 0.686 176.732 176.519 -0.789 0.000 1.407 340 W CA -0.261 56.261 57.345 -1.371 0.000 1.274 340 W CB 0.698 28.670 29.460 -2.480 0.000 1.310 340 W HN 0.802 nan 8.180 nan 0.000 0.551 341 G N 3.398 111.950 108.800 -0.412 0.000 3.189 341 G HA2 0.154 4.114 3.960 0.001 0.000 0.225 341 G HA3 0.154 4.114 3.960 0.001 0.000 0.225 341 G C -0.461 174.439 174.900 0.000 0.000 1.159 341 G CA 0.051 45.116 45.100 -0.058 0.000 0.763 341 G HN 0.744 nan 8.290 nan 0.000 0.549 342 H N -2.727 115.640 119.070 -1.172 0.000 4.734 342 H HA 0.014 4.571 4.556 0.001 0.000 0.252 342 H C 0.711 175.948 175.328 -0.151 0.000 0.525 342 H CA 0.926 56.286 56.048 -1.147 0.000 0.682 342 H CB -0.790 28.398 29.762 -0.957 0.000 0.876 342 H HN 0.638 nan 8.280 nan 0.000 0.317 343 A N -0.435 122.459 122.820 0.124 0.000 1.568 343 A HA 0.739 5.059 4.320 0.001 0.000 0.147 343 A C 0.611 178.307 177.584 0.185 0.000 1.552 343 A CA 0.982 53.194 52.037 0.293 0.000 2.807 343 A CB 0.024 19.163 19.000 0.232 0.000 2.976 343 A HN 1.511 nan 8.150 nan 0.000 1.316 344 G N -1.347 107.549 108.800 0.160 0.000 2.650 344 G HA2 0.522 4.482 3.960 0.001 0.000 0.310 344 G HA3 0.522 4.482 3.960 0.001 0.000 0.310 344 G C 0.670 175.650 174.900 0.133 0.000 1.270 344 G CA 1.186 46.354 45.100 0.112 0.000 0.810 344 G HN 1.309 nan 8.290 nan 0.000 0.493 345 S N -0.968 114.785 115.700 0.087 0.000 2.436 345 S HA 0.218 4.688 4.470 0.001 0.000 0.228 345 S C 0.590 175.228 174.600 0.064 0.000 1.014 345 S CA 1.692 59.927 58.200 0.058 0.000 0.950 345 S CB -0.299 62.879 63.200 -0.035 0.000 0.784 345 S HN 0.941 nan 8.310 nan 0.000 0.504 346 D N 0.093 120.545 120.400 0.086 0.000 2.921 346 D HA 0.302 4.943 4.640 0.001 0.000 0.329 346 D C 0.594 176.914 176.300 0.034 0.000 1.293 346 D CA -0.059 53.968 54.000 0.046 0.000 0.964 346 D CB 0.343 41.158 40.800 0.025 0.000 1.435 346 D HN 0.039 nan 8.370 nan 0.000 0.548 347 S N -1.841 113.804 115.700 -0.092 0.000 2.522 347 S HA -0.013 4.458 4.470 0.001 0.000 0.227 347 S C 1.230 175.799 174.600 -0.052 0.000 0.986 347 S CA 1.139 59.243 58.200 -0.160 0.000 0.929 347 S CB -1.009 61.822 63.200 -0.615 0.000 0.769 347 S HN 0.714 nan 8.310 nan 0.000 0.529 348 T N -1.392 113.140 114.554 -0.037 0.000 3.129 348 T HA 0.326 4.676 4.350 0.001 0.000 0.267 348 T C 0.066 174.493 174.700 -0.455 0.000 1.018 348 T CA -0.525 61.514 62.100 -0.101 0.000 0.903 348 T CB -0.199 68.572 68.868 -0.161 0.000 1.067 348 T HN 0.473 nan 8.240 nan 0.000 0.549 349 H N 0.503 119.520 119.070 -0.090 0.000 2.821 349 H HA 0.471 5.028 4.556 0.001 0.000 0.373 349 H C -0.326 174.945 175.328 -0.095 0.000 1.165 349 H CA -1.034 54.950 56.048 -0.105 0.000 1.154 349 H CB 1.956 31.693 29.762 -0.042 0.000 1.765 349 H HN 0.072 nan 8.280 nan 0.000 0.549 350 M N 2.168 121.753 119.600 -0.024 0.000 3.114 350 M HA 0.110 4.591 4.480 0.001 0.000 0.386 350 M C 0.514 176.628 176.300 -0.310 0.000 1.417 350 M CA -0.113 55.101 55.300 -0.144 0.000 0.785 350 M CB 0.153 32.599 32.600 -0.256 0.000 1.413 350 M HN 0.588 nan 8.290 nan 0.000 0.498 351 E N 0.896 121.040 120.200 -0.093 0.000 2.147 351 E HA -0.203 4.148 4.350 0.001 0.000 0.199 351 E C 0.982 177.481 176.600 -0.168 0.000 1.005 351 E CA 1.527 57.877 56.400 -0.085 0.000 0.810 351 E CB 0.017 29.700 29.700 -0.029 0.000 0.736 351 E HN 0.423 nan 8.360 nan 0.000 0.460 352 D N -0.728 119.558 120.400 -0.189 0.000 2.378 352 D HA -0.098 4.542 4.640 0.001 0.000 0.222 352 D C 0.581 176.481 176.300 -0.665 0.000 0.980 352 D CA 0.723 54.480 54.000 -0.406 0.000 0.907 352 D CB -0.033 40.478 40.800 -0.481 0.000 0.899 352 D HN 0.264 nan 8.370 nan 0.000 0.527 353 F N -0.535 119.227 119.950 -0.312 0.000 2.682 353 F HA 0.205 4.733 4.527 0.001 0.000 0.308 353 F C 0.607 176.324 175.800 -0.140 0.000 1.093 353 F CA -0.245 57.604 58.000 -0.251 0.000 1.244 353 F CB 0.344 39.280 39.000 -0.107 0.000 1.052 353 F HN -0.120 nan 8.300 nan 0.000 0.573 354 H N -0.602 118.432 119.070 -0.060 0.000 2.495 354 H HA 0.292 4.849 4.556 0.001 0.000 0.348 354 H C -0.312 174.851 175.328 -0.275 0.000 1.113 354 H CA -1.084 54.888 56.048 -0.126 0.000 1.195 354 H CB 1.078 30.803 29.762 -0.063 0.000 1.521 354 H HN 0.018 nan 8.280 nan 0.000 0.509 355 N N 2.867 121.392 118.700 -0.292 0.000 2.326 355 N HA -0.030 4.711 4.740 0.001 0.000 0.239 355 N C -1.617 173.530 175.510 -0.605 0.000 1.301 355 N CA -1.250 51.363 53.050 -0.728 0.000 0.909 355 N CB 0.578 38.347 38.487 -1.198 0.000 1.156 355 N HN 0.462 nan 8.380 nan 0.000 0.462 356 P HA -0.142 nan 4.420 nan 0.000 0.221 356 P C -0.018 177.121 177.300 -0.268 0.000 1.145 356 P CA 1.128 64.004 63.100 -0.374 0.000 0.795 356 P CB 0.026 31.564 31.700 -0.269 0.000 0.775 357 D N -2.230 117.961 120.400 -0.349 0.000 2.328 357 D HA 0.123 4.763 4.640 0.001 0.000 0.221 357 D C 1.410 177.621 176.300 -0.149 0.000 1.072 357 D CA 0.325 54.242 54.000 -0.138 0.000 0.850 357 D CB -0.877 39.934 40.800 0.019 0.000 0.922 357 D HN 0.188 nan 8.370 nan 0.000 0.516 358 G N 0.260 108.925 108.800 -0.224 0.000 2.176 358 G HA2 -0.296 3.664 3.960 0.001 0.000 0.253 358 G HA3 -0.296 3.664 3.960 0.001 0.000 0.253 358 G C 0.578 175.252 174.900 -0.376 0.000 0.979 358 G CA 0.608 45.510 45.100 -0.331 0.000 0.641 358 G HN 0.794 nan 8.290 nan 0.000 0.530 359 T N -1.702 112.727 114.554 -0.208 0.000 2.788 359 T HA 0.583 4.934 4.350 0.001 0.000 0.287 359 T C 0.938 175.566 174.700 -0.119 0.000 1.007 359 T CA 0.098 62.130 62.100 -0.113 0.000 1.005 359 T CB 1.277 70.132 68.868 -0.020 0.000 1.012 359 T HN 0.597 nan 8.240 nan 0.000 0.530 360 M N 2.157 121.677 119.600 -0.135 0.000 2.303 360 M HA 0.117 4.598 4.480 0.001 0.000 0.350 360 M C 0.623 176.799 176.300 -0.206 0.000 1.518 360 M CA -0.168 54.937 55.300 -0.325 0.000 1.070 360 M CB 0.143 32.332 32.600 -0.686 0.000 1.910 360 M HN 0.651 nan 8.290 nan 0.000 0.458 361 R N 2.439 122.820 120.500 -0.199 0.000 2.817 361 R HA -0.014 4.327 4.340 0.001 0.000 0.264 361 R C 0.460 176.691 176.300 -0.115 0.000 1.009 361 R CA 0.331 56.328 56.100 -0.172 0.000 1.133 361 R CB 0.156 30.328 30.300 -0.214 0.000 1.013 361 R HN 0.806 nan 8.270 nan 0.000 0.453 362 S N 1.145 116.824 115.700 -0.035 0.000 2.546 362 S HA 0.022 4.493 4.470 0.001 0.000 0.290 362 S C 1.433 176.044 174.600 0.018 0.000 1.290 362 S CA -0.028 58.216 58.200 0.073 0.000 1.069 362 S CB 1.338 64.590 63.200 0.085 0.000 0.846 362 S HN 0.655 nan 8.310 nan 0.000 0.495 363 A N 4.055 126.916 122.820 0.069 0.000 1.927 363 A HA -0.174 4.146 4.320 0.001 0.000 0.220 363 A C 1.838 179.441 177.584 0.031 0.000 1.185 363 A CA 2.180 54.233 52.037 0.026 0.000 0.639 363 A CB -1.095 17.963 19.000 0.098 0.000 0.820 363 A HN 0.914 nan 8.150 nan 0.000 0.451 364 D N -0.035 120.418 120.400 0.089 0.000 2.144 364 D HA -0.112 4.529 4.640 0.001 0.000 0.199 364 D C 1.398 177.692 176.300 -0.009 0.000 0.984 364 D CA 1.466 55.511 54.000 0.075 0.000 0.834 364 D CB -0.364 40.502 40.800 0.110 0.000 0.955 364 D HN 0.437 nan 8.370 nan 0.000 0.465 365 D N -0.058 120.309 120.400 -0.055 0.000 2.123 365 D HA -0.030 4.610 4.640 0.001 0.000 0.200 365 D C 2.303 178.434 176.300 -0.282 0.000 0.976 365 D CA 0.351 54.255 54.000 -0.160 0.000 0.831 365 D CB -0.182 40.534 40.800 -0.140 0.000 0.974 365 D HN 0.259 nan 8.370 nan 0.000 0.469 366 I N 0.794 121.155 120.570 -0.348 0.000 2.252 366 I HA -0.226 3.944 4.170 0.001 0.000 0.245 366 I C 2.210 178.015 176.117 -0.521 0.000 1.102 366 I CA 1.033 61.956 61.300 -0.627 0.000 1.385 366 I CB -0.484 37.109 38.000 -0.679 0.000 1.064 366 I HN -0.026 nan 8.210 nan 0.000 0.414 367 T N 1.005 115.459 114.554 -0.168 0.000 2.684 367 T HA -0.200 4.150 4.350 0.001 0.000 0.267 367 T C 2.055 176.849 174.700 0.156 0.000 1.036 367 T CA 1.664 63.858 62.100 0.157 0.000 1.148 367 T CB -0.322 68.692 68.868 0.245 0.000 0.863 367 T HN 0.498 nan 8.240 nan 0.000 0.436 368 A N 1.070 123.903 122.820 0.022 0.000 1.930 368 A HA 0.037 4.358 4.320 0.001 0.000 0.217 368 A C 2.301 179.900 177.584 0.024 0.000 1.175 368 A CA 1.607 53.657 52.037 0.021 0.000 0.627 368 A CB -0.670 18.298 19.000 -0.053 0.000 0.815 368 A HN 0.519 nan 8.150 nan 0.000 0.443 369 M N -1.684 117.860 119.600 -0.094 0.000 2.159 369 M HA -0.146 4.335 4.480 0.001 0.000 0.263 369 M C 1.833 178.283 176.300 0.248 0.000 1.063 369 M CA 1.614 56.852 55.300 -0.104 0.000 1.110 369 M CB -0.147 32.185 32.600 -0.446 0.000 1.374 369 M HN 0.592 nan 8.290 nan 0.000 0.411 370 W N 0.738 122.115 121.300 0.129 0.000 2.443 370 W HA -0.002 4.658 4.660 0.001 0.000 0.296 370 W C 2.402 179.103 176.519 0.303 0.000 1.202 370 W CA 0.884 58.380 57.345 0.252 0.000 1.312 370 W CB -1.010 28.628 29.460 0.298 0.000 1.120 370 W HN 0.268 nan 8.180 nan 0.000 0.536 371 K N 0.577 121.262 120.400 0.475 0.000 2.103 371 K HA -0.161 4.160 4.320 0.001 0.000 0.207 371 K C 2.013 178.763 176.600 0.251 0.000 1.048 371 K CA 1.758 58.239 56.287 0.323 0.000 0.930 371 K CB -0.260 32.380 32.500 0.233 0.000 0.716 371 K HN -0.035 nan 8.250 nan 0.000 0.444 372 A N -0.266 122.699 122.820 0.242 0.000 2.070 372 A HA -0.143 4.178 4.320 0.001 0.000 0.220 372 A C 1.128 178.779 177.584 0.112 0.000 1.159 372 A CA 0.944 53.069 52.037 0.147 0.000 0.656 372 A CB -0.595 18.483 19.000 0.130 0.000 0.800 372 A HN 0.552 nan 8.150 nan 0.000 0.453 373 W N -0.669 120.747 121.300 0.194 0.000 3.325 373 W HA 0.279 4.940 4.660 0.001 0.000 0.370 373 W C 0.757 177.375 176.519 0.165 0.000 1.169 373 W CA 0.127 57.588 57.345 0.193 0.000 1.874 373 W CB 0.028 29.621 29.460 0.221 0.000 1.076 373 W HN 0.510 nan 8.180 nan 0.000 0.684 374 N N 0.876 119.740 118.700 0.274 0.000 2.747 374 N HA -0.228 4.513 4.740 0.001 0.000 0.249 374 N C -0.876 174.768 175.510 0.222 0.000 1.107 374 N CA 0.727 53.900 53.050 0.205 0.000 0.707 374 N CB -1.568 37.009 38.487 0.151 0.000 1.054 374 N HN 0.170 nan 8.380 nan 0.000 0.555 375 I N 0.632 121.379 120.570 0.294 0.000 2.328 375 I HA 0.284 4.454 4.170 0.001 0.000 0.287 375 I C 0.203 176.552 176.117 0.386 0.000 1.012 375 I CA -0.339 61.123 61.300 0.270 0.000 1.195 375 I CB 1.126 39.251 38.000 0.208 0.000 1.350 375 I HN -0.019 nan 8.210 nan 0.000 0.464 376 K N 7.466 127.977 120.400 0.184 0.000 2.477 376 K HA 0.403 4.724 4.320 0.001 0.000 0.255 376 K C -2.020 174.212 176.600 -0.613 0.000 0.952 376 K CA -1.554 54.694 56.287 -0.065 0.000 0.826 376 K CB 2.495 34.976 32.500 -0.031 0.000 1.331 376 K HN 0.132 nan 8.250 nan 0.000 0.437 377 P HA -0.168 nan 4.420 nan 0.000 0.220 377 P C 0.052 176.991 177.300 -0.601 0.000 1.148 377 P CA 1.399 63.572 63.100 -1.546 0.000 0.803 377 P CB 0.313 31.132 31.700 -1.469 0.000 0.782 378 E N -0.405 119.584 120.200 -0.352 0.000 2.478 378 E HA -0.064 4.286 4.350 0.001 0.000 0.198 378 E C 0.859 177.388 176.600 -0.119 0.000 1.046 378 E CA 0.474 56.767 56.400 -0.177 0.000 0.870 378 E CB -0.684 28.951 29.700 -0.110 0.000 0.818 378 E HN 0.516 nan 8.360 nan 0.000 0.527 379 Q N 0.913 120.635 119.800 -0.130 0.000 2.256 379 Q HA 0.214 4.555 4.340 0.001 0.000 0.232 379 Q C -0.132 175.851 176.000 -0.029 0.000 0.965 379 Q CA -0.657 55.112 55.803 -0.057 0.000 0.908 379 Q CB 0.693 29.411 28.738 -0.034 0.000 1.209 379 Q HN 0.058 nan 8.270 nan 0.000 0.489 380 Q N 1.326 121.122 119.800 -0.006 0.000 2.300 380 Q HA 0.165 4.505 4.340 0.001 0.000 0.262 380 Q C -0.912 175.081 176.000 -0.012 0.000 1.109 380 Q CA 0.113 55.923 55.803 0.011 0.000 0.905 380 Q CB 0.344 29.092 28.738 0.017 0.000 1.280 380 Q HN 0.299 nan 8.270 nan 0.000 0.426 381 V N 1.943 121.845 119.914 -0.019 0.000 2.459 381 V HA 0.440 4.561 4.120 0.001 0.000 0.295 381 V C 0.025 175.967 176.094 -0.252 0.000 1.029 381 V CA -0.546 61.659 62.300 -0.159 0.000 0.874 381 V CB 1.887 33.620 31.823 -0.150 0.000 0.985 381 V HN 0.677 nan 8.190 nan 0.000 0.438 382 S N 4.470 119.985 115.700 -0.307 0.000 2.594 382 S HA 0.758 5.229 4.470 0.001 0.000 0.296 382 S C -1.059 173.408 174.600 -0.221 0.000 1.124 382 S CA -0.452 57.649 58.200 -0.166 0.000 1.011 382 S CB 0.595 63.826 63.200 0.051 0.000 1.016 382 S HN 0.356 nan 8.310 nan 0.000 0.485 383 F N 4.996 125.049 119.950 0.172 0.000 2.385 383 F HA 0.614 5.142 4.527 0.001 0.000 0.336 383 F C 0.297 176.236 175.800 0.232 0.000 1.100 383 F CA -0.455 57.614 58.000 0.114 0.000 1.116 383 F CB 0.809 39.834 39.000 0.042 0.000 1.166 383 F HN 0.698 nan 8.300 nan 0.000 0.511 387 T N -2.851 111.727 114.554 0.041 0.000 3.130 387 T HA 0.505 4.855 4.350 0.001 0.000 0.288 387 T C 1.546 176.355 174.700 0.182 0.000 0.936 387 T CA 1.497 63.658 62.100 0.102 0.000 0.897 387 T CB 1.025 69.932 68.868 0.065 0.000 1.178 387 T HN 2.016 nan 8.240 nan 0.000 0.543 388 G N 0.196 109.119 108.800 0.204 0.000 2.284 388 G HA2 -0.185 3.775 3.960 0.001 0.000 0.201 388 G HA3 -0.185 3.775 3.960 0.001 0.000 0.201 388 G C 0.688 175.735 174.900 0.246 0.000 0.998 388 G CA 0.055 45.274 45.100 0.199 0.000 0.651 388 G HN 0.315 nan 8.290 nan 0.000 0.489 389 W N 1.333 122.607 121.300 -0.042 0.000 2.353 389 W HA 0.147 4.808 4.660 0.001 0.000 0.319 389 W C 2.782 179.318 176.519 0.028 0.000 1.207 389 W CA 1.917 59.193 57.345 -0.115 0.000 1.291 389 W CB -0.722 28.504 29.460 -0.390 0.000 1.159 389 W HN 0.278 nan 8.180 nan 0.000 0.478 390 R N -0.108 120.633 120.500 0.401 0.000 2.105 390 R HA -0.107 4.234 4.340 0.001 0.000 0.239 390 R C 2.295 178.618 176.300 0.038 0.000 1.135 390 R CA 1.600 57.860 56.100 0.267 0.000 0.967 390 R CB -0.983 29.454 30.300 0.228 0.000 0.861 390 R HN 0.146 nan 8.270 nan 0.000 0.442 391 A N 0.553 123.415 122.820 0.069 0.000 1.933 391 A HA -0.145 4.176 4.320 0.001 0.000 0.218 391 A C 2.180 179.746 177.584 -0.029 0.000 1.175 391 A CA 1.657 53.715 52.037 0.036 0.000 0.628 391 A CB -0.363 18.741 19.000 0.172 0.000 0.814 391 A HN 0.224 nan 8.150 nan 0.000 0.444 392 S N -0.697 114.989 115.700 -0.023 0.000 2.356 392 S HA -0.187 4.284 4.470 0.001 0.000 0.223 392 S C 1.943 176.466 174.600 -0.127 0.000 1.032 392 S CA 1.423 59.578 58.200 -0.074 0.000 1.005 392 S CB -0.291 62.825 63.200 -0.139 0.000 0.867 392 S HN 0.771 nan 8.310 nan 0.000 0.449 393 E N 0.751 120.828 120.200 -0.204 0.000 2.049 393 E HA -0.216 4.135 4.350 0.001 0.000 0.198 393 E C 2.144 178.258 176.600 -0.810 0.000 1.007 393 E CA 1.917 58.045 56.400 -0.453 0.000 0.809 393 E CB -0.263 29.259 29.700 -0.295 0.000 0.749 393 E HN 0.704 nan 8.360 nan 0.000 0.450 394 T N -1.308 112.819 114.554 -0.713 0.000 2.867 394 T HA -0.175 4.176 4.350 0.001 0.000 0.268 394 T C 1.760 175.973 174.700 -0.812 0.000 1.057 394 T CA 1.022 62.621 62.100 -0.836 0.000 1.136 394 T CB -0.683 67.604 68.868 -0.968 0.000 0.874 394 T HN 0.321 nan 8.240 nan 0.000 0.466 395 F N 2.047 121.522 119.950 -0.792 0.000 2.095 395 F HA -0.085 4.442 4.527 0.001 0.000 0.298 395 F C 2.254 177.954 175.800 -0.166 0.000 1.104 395 F CA 1.484 59.280 58.000 -0.340 0.000 1.232 395 F CB -0.333 38.638 39.000 -0.048 0.000 0.987 395 F HN -0.019 nan 8.300 nan 0.000 0.475 396 M N -0.582 118.999 119.600 -0.032 0.000 2.159 396 M HA -0.216 4.265 4.480 0.001 0.000 0.263 396 M C 2.078 178.349 176.300 -0.050 0.000 1.063 396 M CA 1.498 56.769 55.300 -0.048 0.000 1.110 396 M CB -1.541 31.041 32.600 -0.030 0.000 1.374 396 M HN 0.259 nan 8.290 nan 0.000 0.411 397 Y N 0.414 120.641 120.300 -0.123 0.000 2.153 397 Y HA 0.014 4.565 4.550 0.001 0.000 0.289 397 Y C 2.729 178.541 175.900 -0.147 0.000 1.127 397 Y CA 0.869 58.902 58.100 -0.111 0.000 1.131 397 Y CB -1.736 36.645 38.460 -0.130 0.000 0.995 397 Y HN 0.247 nan 8.280 nan 0.000 0.505 398 A N 0.464 123.258 122.820 -0.043 0.000 1.927 398 A HA -0.298 4.022 4.320 0.001 0.000 0.220 398 A C 2.434 179.993 177.584 -0.041 0.000 1.185 398 A CA 2.262 54.218 52.037 -0.135 0.000 0.639 398 A CB -0.861 18.137 19.000 -0.003 0.000 0.820 398 A HN 0.460 nan 8.150 nan 0.000 0.451 399 R N -0.481 119.925 120.500 -0.156 0.000 2.081 399 R HA -0.060 4.281 4.340 0.001 0.000 0.235 399 R C 2.228 178.552 176.300 0.039 0.000 1.131 399 R CA 1.452 57.475 56.100 -0.128 0.000 0.960 399 R CB -0.423 29.693 30.300 -0.307 0.000 0.856 399 R HN 0.423 nan 8.270 nan 0.000 0.436 400 A N 0.514 123.376 122.820 0.070 0.000 2.015 400 A HA -0.090 4.231 4.320 0.001 0.000 0.219 400 A C 1.988 179.679 177.584 0.179 0.000 1.163 400 A CA 1.206 53.328 52.037 0.143 0.000 0.646 400 A CB -0.267 18.825 19.000 0.154 0.000 0.806 400 A HN 0.383 nan 8.150 nan 0.000 0.448 401 M N -1.393 118.303 119.600 0.159 0.000 2.618 401 M HA 0.164 4.645 4.480 0.001 0.000 0.240 401 M C 1.322 177.839 176.300 0.361 0.000 1.123 401 M CA 0.858 56.283 55.300 0.208 0.000 1.060 401 M CB 0.318 32.973 32.600 0.090 0.000 1.535 401 M HN 0.610 nan 8.290 nan 0.000 0.507 402 G N -0.687 108.334 108.800 0.368 0.000 2.157 402 G HA2 -0.201 3.759 3.960 0.001 0.000 0.239 402 G HA3 -0.201 3.759 3.960 0.001 0.000 0.239 402 G C -0.587 174.564 174.900 0.418 0.000 0.982 402 G CA -0.629 44.699 45.100 0.381 0.000 0.650 402 G HN 0.409 nan 8.290 nan 0.000 0.527 403 W N 1.781 123.158 121.300 0.128 0.000 2.469 403 W HA 0.558 5.219 4.660 0.002 0.000 0.321 403 W C 1.389 177.952 176.519 0.073 0.000 1.415 403 W CA -0.329 57.087 57.345 0.120 0.000 1.308 403 W CB 0.498 30.064 29.460 0.176 0.000 1.368 403 W HN 0.084 nan 8.180 nan 0.000 0.546 404 K N 2.015 122.528 120.400 0.190 0.000 2.305 404 K HA 0.011 4.331 4.320 0.001 0.000 0.199 404 K C 0.060 176.735 176.600 0.124 0.000 1.047 404 K CA 0.718 57.081 56.287 0.127 0.000 0.976 404 K CB 0.204 32.751 32.500 0.079 0.000 0.765 404 K HN 0.406 nan 8.250 nan 0.000 0.474 405 N N 1.518 120.301 118.700 0.139 0.000 2.790 405 N HA 0.112 4.853 4.740 0.001 0.000 0.256 405 N C -0.766 174.850 175.510 0.177 0.000 1.409 405 N CA -0.147 52.984 53.050 0.136 0.000 0.799 405 N CB 1.634 40.172 38.487 0.086 0.000 1.170 405 N HN -0.137 nan 8.380 nan 0.000 0.507 406 V N -1.233 118.821 119.914 0.232 0.000 2.919 406 V HA 0.935 5.056 4.120 0.001 0.000 0.316 406 V C 0.248 176.635 176.094 0.487 0.000 1.077 406 V CA -0.748 61.733 62.300 0.301 0.000 0.977 406 V CB 1.725 33.728 31.823 0.300 0.000 1.039 406 V HN 0.503 nan 8.190 nan 0.000 0.441 407 S N 0.893 116.912 115.700 0.533 0.000 2.643 407 S HA 0.819 5.289 4.470 0.001 0.000 0.270 407 S C -1.255 173.604 174.600 0.433 0.000 1.166 407 S CA -0.721 57.764 58.200 0.475 0.000 0.815 407 S CB 1.581 64.936 63.200 0.258 0.000 1.139 407 S HN 1.187 nan 8.310 nan 0.000 0.472 408 V N 2.224 122.254 119.914 0.194 0.000 2.495 408 V HA 0.472 4.593 4.120 0.001 0.000 0.298 408 V C -1.329 174.892 176.094 0.213 0.000 1.031 408 V CA -0.658 61.757 62.300 0.191 0.000 0.871 408 V CB 1.436 33.262 31.823 0.005 0.000 0.988 408 V HN 0.881 nan 8.190 nan 0.000 0.432 409 Y N 3.868 124.262 120.300 0.156 0.000 2.595 409 Y HA 0.276 4.827 4.550 0.001 0.000 0.347 409 Y C 1.148 177.132 175.900 0.140 0.000 1.025 409 Y CA -0.986 57.189 58.100 0.125 0.000 1.295 409 Y CB 0.376 38.903 38.460 0.112 0.000 1.147 409 Y HN 0.799 nan 8.280 nan 0.000 0.515 410 D N 3.766 124.145 120.400 -0.035 0.000 2.116 410 D HA -0.183 4.458 4.640 0.001 0.000 0.193 410 D C 2.140 178.282 176.300 -0.263 0.000 0.998 410 D CA 2.056 55.989 54.000 -0.112 0.000 0.836 410 D CB -0.234 40.534 40.800 -0.053 0.000 0.951 410 D HN 0.866 nan 8.370 nan 0.000 0.449 411 G N -0.613 107.898 108.800 -0.481 0.000 2.422 411 G HA2 0.086 4.046 3.960 0.001 0.000 0.218 411 G HA3 0.086 4.046 3.960 0.001 0.000 0.218 411 G C 1.051 175.726 174.900 -0.375 0.000 1.146 411 G CA 1.207 46.108 45.100 -0.332 0.000 0.769 411 G HN 0.741 nan 8.290 nan 0.000 0.547 412 G N -0.704 107.528 108.800 -0.947 0.000 2.601 412 G HA2 -0.366 3.594 3.960 0.001 0.000 0.261 412 G HA3 -0.366 3.594 3.960 0.001 0.000 0.261 412 G C 0.936 175.930 174.900 0.156 0.000 1.289 412 G CA 0.396 45.370 45.100 -0.210 0.000 0.920 412 G HN 0.509 nan 8.290 nan 0.000 0.571 413 W N -0.718 120.701 121.300 0.199 0.000 2.363 413 W HA -0.110 4.550 4.660 0.001 0.000 0.296 413 W C 2.144 178.807 176.519 0.240 0.000 1.212 413 W CA 2.253 59.732 57.345 0.223 0.000 1.260 413 W CB -0.258 29.339 29.460 0.228 0.000 1.131 413 W HN 0.574 nan 8.180 nan 0.000 0.530 414 Y N 1.823 122.109 120.300 -0.023 0.000 2.165 414 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 414 Y C 2.570 178.386 175.900 -0.141 0.000 1.155 414 Y CA 2.387 60.409 58.100 -0.129 0.000 1.164 414 Y CB -1.009 37.438 38.460 -0.023 0.000 0.978 414 Y HN 0.127 nan 8.280 nan 0.000 0.513 415 E N -0.786 119.377 120.200 -0.061 0.000 2.028 415 E HA -0.231 4.119 4.350 0.001 0.000 0.190 415 E C 2.350 178.903 176.600 -0.078 0.000 0.984 415 E CA 1.011 57.334 56.400 -0.129 0.000 0.800 415 E CB -0.792 28.896 29.700 -0.020 0.000 0.758 415 E HN 0.614 nan 8.360 nan 0.000 0.448 416 W N 1.955 123.165 121.300 -0.150 0.000 2.304 416 W HA -0.230 4.431 4.660 0.001 0.000 0.315 416 W C 2.230 178.525 176.519 -0.374 0.000 1.233 416 W CA 2.452 59.696 57.345 -0.167 0.000 1.261 416 W CB -0.457 28.972 29.460 -0.052 0.000 1.150 416 W HN 0.206 nan 8.180 nan 0.000 0.494 417 S N -0.828 114.585 115.700 -0.478 0.000 2.603 417 S HA -0.032 4.438 4.470 0.001 0.000 0.220 417 S C 1.610 175.968 174.600 -0.404 0.000 0.967 417 S CA 0.915 58.698 58.200 -0.694 0.000 0.920 417 S CB -0.056 62.224 63.200 -1.532 0.000 0.773 417 S HN 0.078 nan 8.310 nan 0.000 0.529 418 S N 1.496 116.992 115.700 -0.340 0.000 2.453 418 S HA 0.043 4.513 4.470 0.001 0.000 0.231 418 S C 0.377 174.839 174.600 -0.229 0.000 1.005 418 S CA 0.612 58.654 58.200 -0.262 0.000 0.949 418 S CB -0.263 62.762 63.200 -0.292 0.000 0.774 418 S HN 0.680 nan 8.310 nan 0.000 0.510 419 D N 0.717 120.951 120.400 -0.276 0.000 2.454 419 D HA 0.306 4.946 4.640 0.001 0.000 0.225 419 D C -2.209 173.943 176.300 -0.246 0.000 1.081 419 D CA -2.450 51.395 54.000 -0.258 0.000 0.864 419 D CB 1.445 42.062 40.800 -0.305 0.000 1.040 419 D HN -0.040 nan 8.370 nan 0.000 0.517 420 P HA -0.035 nan 4.420 nan 0.000 0.231 420 P C 0.851 178.089 177.300 -0.102 0.000 1.158 420 P CA 0.699 63.733 63.100 -0.109 0.000 0.763 420 P CB 0.311 31.969 31.700 -0.070 0.000 0.805 421 K N -0.829 119.486 120.400 -0.141 0.000 2.296 421 K HA 0.014 4.334 4.320 0.001 0.000 0.200 421 K C 0.482 176.986 176.600 -0.159 0.000 1.048 421 K CA 0.184 56.394 56.287 -0.128 0.000 0.966 421 K CB -0.335 32.082 32.500 -0.138 0.000 0.754 421 K HN 0.291 nan 8.250 nan 0.000 0.466 422 N N 2.397 120.927 118.700 -0.283 0.000 2.492 422 N HA 0.019 4.759 4.740 0.001 0.000 0.262 422 N C -2.623 172.892 175.510 0.009 0.000 1.202 422 N CA -1.188 51.623 53.050 -0.399 0.000 0.926 422 N CB 0.656 38.440 38.487 -1.171 0.000 1.078 422 N HN -0.030 nan 8.380 nan 0.000 0.454 423 P HA 0.012 nan 4.420 nan 0.000 0.267 423 P C -0.882 176.690 177.300 0.453 0.000 1.209 423 P CA 0.130 63.407 63.100 0.294 0.000 0.763 423 P CB 0.709 32.588 31.700 0.299 0.000 0.816 424 V N 2.970 123.069 119.914 0.307 0.000 2.555 424 V HA 0.672 4.793 4.120 0.001 0.000 0.302 424 V C 0.272 176.441 176.094 0.125 0.000 1.038 424 V CA -0.828 61.652 62.300 0.301 0.000 0.887 424 V CB 1.835 33.859 31.823 0.335 0.000 0.991 424 V HN 0.712 nan 8.190 nan 0.000 0.434 425 A N 3.137 125.966 122.820 0.016 0.000 2.337 425 A HA 0.959 5.280 4.320 0.001 0.000 0.329 425 A C 0.029 177.489 177.584 -0.206 0.000 1.146 425 A CA -0.229 51.749 52.037 -0.099 0.000 0.800 425 A CB 1.509 20.410 19.000 -0.165 0.000 1.220 425 A HN 1.016 nan 8.150 nan 0.000 0.472 426 T N -1.458 112.983 114.554 -0.188 0.000 2.865 426 T HA 0.875 5.225 4.350 0.001 0.000 0.294 426 T C 0.196 174.761 174.700 -0.225 0.000 1.119 426 T CA -0.094 61.861 62.100 -0.242 0.000 1.007 426 T CB 1.186 69.962 68.868 -0.154 0.000 1.225 426 T HN 2.658 nan 8.240 nan 0.000 0.515 427 G N 0.591 109.237 108.800 -0.256 0.000 2.746 427 G HA2 -0.023 3.937 3.960 0.001 0.000 0.685 427 G HA3 -0.023 3.937 3.960 0.001 0.000 0.685 427 G C -0.862 173.902 174.900 -0.226 0.000 1.350 427 G CA -0.747 44.235 45.100 -0.196 0.000 0.837 427 G HN 1.016 nan 8.290 nan 0.000 0.564 428 E N 0.733 120.872 120.200 -0.101 0.000 2.344 428 E HA 0.482 4.832 4.350 0.001 0.000 0.270 428 E C 0.914 177.613 176.600 0.164 0.000 1.021 428 E CA 0.257 56.695 56.400 0.063 0.000 0.887 428 E CB 0.507 30.343 29.700 0.226 0.000 0.997 428 E HN 0.707 nan 8.360 nan 0.000 0.429 429 R N 0.788 121.487 120.500 0.332 0.000 2.712 429 R HA 0.671 5.012 4.340 0.001 0.000 0.272 429 R C -0.589 176.009 176.300 0.496 0.000 1.032 429 R CA -1.122 55.169 56.100 0.318 0.000 0.874 429 R CB 1.008 31.445 30.300 0.230 0.000 1.256 429 R HN 0.493 nan 8.270 nan 0.000 0.468 430 G N 0.058 109.021 108.800 0.271 0.000 3.108 430 G HA2 0.520 4.480 3.960 0.001 0.000 0.268 430 G HA3 0.520 4.480 3.960 0.001 0.000 0.268 430 G C -2.189 172.407 174.900 -0.507 0.000 1.361 430 G CA -1.769 43.350 45.100 0.031 0.000 1.047 430 G HN 0.309 nan 8.290 nan 0.000 0.540 431 P HA -0.120 nan 4.420 nan 0.000 0.217 431 P C 1.410 178.461 177.300 -0.415 0.000 1.151 431 P CA 1.761 64.078 63.100 -1.305 0.000 0.849 431 P CB 0.114 31.247 31.700 -0.945 0.000 0.787 432 D N -0.474 119.792 120.400 -0.222 0.000 2.221 432 D HA -0.138 4.503 4.640 0.001 0.000 0.204 432 D C 1.453 177.771 176.300 0.029 0.000 0.982 432 D CA 1.690 55.656 54.000 -0.058 0.000 0.857 432 D CB -1.231 39.547 40.800 -0.036 0.000 0.934 432 D HN 0.256 nan 8.370 nan 0.000 0.475 433 S N -1.454 114.282 115.700 0.061 0.000 2.603 433 S HA 0.137 4.608 4.470 0.001 0.000 0.220 433 S C 1.113 175.848 174.600 0.225 0.000 0.967 433 S CA -0.242 58.042 58.200 0.140 0.000 0.920 433 S CB -0.068 63.227 63.200 0.158 0.000 0.773 433 S HN 0.089 nan 8.310 nan 0.000 0.529 434 S N 0.623 116.479 115.700 0.260 0.000 2.855 434 S HA 0.321 4.791 4.470 0.001 0.000 0.249 434 S C 0.183 174.932 174.600 0.249 0.000 1.033 434 S CA -0.694 57.694 58.200 0.313 0.000 1.038 434 S CB 0.299 63.790 63.200 0.485 0.000 0.960 434 S HN 0.446 nan 8.310 nan 0.000 0.548 435 K N 0.000 120.524 120.400 0.207 0.000 2.780 435 K HA 0.000 4.321 4.320 0.001 0.000 0.191 435 K CA 0.000 56.397 56.287 0.183 0.000 0.838 435 K CB 0.000 32.575 32.500 0.125 0.000 1.064 435 K HN 0.000 nan 8.250 nan 0.000 0.543