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 1g8g_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAPHGGILQD LIARDALKKN ELLSEAQSSD ILVWNLTPRQ LCDIELILNG DATA SEQUENCE GFSPLTGFLN ENDYSSVVTD SRLADGTLWT IPITLDVDEA FANQIKPDTR DATA SEQUENCE IALFQDDEIP IAILTVQDVY KPNKTIEAER VFRGDPEHPA ISYLFNVAGD DATA SEQUENCE YYVGGSLEAI QLPQHYDYPG LRKTPAQLRL EFQSRQWDRV VAFQTRNPMH DATA SEQUENCE RAHRELTVRA AREANAKVLI HPVVGLTKPG DIDHHTRVRV YQEIIKRYPN DATA SEQUENCE GIAFLSLLPL AMRMSGDREA VWHAIIRKNY GASHFIVGRD HAGPGKNSKG DATA SEQUENCE VDFYGPYDAQ ELVESYKHEL DIEVVPFRMV TYLPDEDRYA PIDQIDTTKT DATA SEQUENCE RTLNISGTEL RRRLRVGGEI PEWFSYPEVV KILRESNPPR PKQGFSIVLG DATA SEQUENCE NSLTVSREQL SIALLSTFLQ FGGGRYYKIF EHNNKTELLS LIQDFIGSGS DATA SEQUENCE GLIIPDQWED DKDSVVGKQN VYLLDTSSSA DIQLESADEP ISHIVQKVVL DATA SEQUENCE FLEDNGFFVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.330 177.300 0.051 0.000 1.155 2 P CA 0.000 63.130 63.100 0.050 0.000 0.800 2 P CB 0.000 31.726 31.700 0.044 0.000 0.726 3 A N 2.197 125.044 122.820 0.045 0.000 2.462 3 A HA 0.558 4.878 4.320 -0.000 0.000 0.243 3 A C -2.042 175.577 177.584 0.058 0.000 1.076 3 A CA -0.710 51.352 52.037 0.041 0.000 0.773 3 A CB -0.723 18.296 19.000 0.031 0.000 1.010 3 A HN 0.387 nan 8.150 nan 0.000 0.493 4 P HA -0.022 nan 4.420 nan 0.000 0.269 4 P C -0.371 177.004 177.300 0.126 0.000 1.209 4 P CA 0.192 63.340 63.100 0.079 0.000 0.776 4 P CB 0.196 31.921 31.700 0.042 0.000 0.876 5 H N 1.414 120.520 119.070 0.061 0.000 3.187 5 H HA 0.197 4.753 4.556 -0.000 0.000 0.286 5 H C 1.677 177.047 175.328 0.071 0.000 0.944 5 H CA 2.304 58.401 56.048 0.082 0.000 1.429 5 H CB -0.875 28.975 29.762 0.146 0.000 1.483 5 H HN 0.791 nan 8.280 nan 0.000 0.555 6 G N 2.470 111.168 108.800 -0.169 0.000 2.194 6 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.236 6 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.236 6 G C 1.211 176.075 174.900 -0.060 0.000 0.987 6 G CA 0.668 45.684 45.100 -0.141 0.000 0.635 6 G HN 1.705 nan 8.290 nan 0.000 0.520 7 G N -1.138 107.648 108.800 -0.023 0.000 2.345 7 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 7 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 7 G C 0.181 175.078 174.900 -0.005 0.000 1.058 7 G CA 0.455 45.548 45.100 -0.012 0.000 0.632 7 G HN 1.412 nan 8.290 nan 0.000 0.508 8 I N 1.159 121.725 120.570 -0.006 0.000 2.465 8 I HA 0.556 4.726 4.170 -0.000 0.000 0.291 8 I C -0.090 176.023 176.117 -0.007 0.000 1.014 8 I CA -0.972 60.322 61.300 -0.010 0.000 1.093 8 I CB 1.999 39.988 38.000 -0.018 0.000 1.267 8 I HN 0.152 nan 8.210 nan 0.000 0.431 9 L N 6.668 127.880 121.223 -0.018 0.000 2.485 9 L HA 0.168 4.508 4.340 -0.000 0.000 0.279 9 L C 0.358 177.204 176.870 -0.040 0.000 1.124 9 L CA 0.366 55.186 54.840 -0.033 0.000 0.888 9 L CB -0.148 41.877 42.059 -0.056 0.000 1.217 9 L HN 0.488 nan 8.230 nan 0.000 0.464 10 Q N 3.300 123.080 119.800 -0.033 0.000 3.159 10 Q HA 0.035 4.375 4.340 -0.000 0.000 0.280 10 Q C -0.521 175.445 176.000 -0.057 0.000 1.403 10 Q CA 0.060 55.839 55.803 -0.039 0.000 0.957 10 Q CB -0.388 28.332 28.738 -0.030 0.000 1.729 10 Q HN 0.549 nan 8.270 nan 0.000 0.551 11 D N 1.508 121.869 120.400 -0.065 0.000 2.435 11 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 11 D C 0.862 177.125 176.300 -0.061 0.000 1.215 11 D CA -0.123 53.830 54.000 -0.078 0.000 0.947 11 D CB 0.299 41.048 40.800 -0.084 0.000 1.048 11 D HN 0.318 nan 8.370 nan 0.000 0.512 12 L N 3.349 124.536 121.223 -0.059 0.000 2.376 12 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 12 L C 1.992 178.835 176.870 -0.045 0.000 1.133 12 L CA 0.085 54.897 54.840 -0.047 0.000 0.816 12 L CB -0.142 41.891 42.059 -0.044 0.000 0.933 12 L HN 0.457 nan 8.230 nan 0.000 0.449 13 I N 0.734 121.273 120.570 -0.053 0.000 2.252 13 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 13 I C 2.811 178.901 176.117 -0.044 0.000 1.102 13 I CA 1.569 62.840 61.300 -0.048 0.000 1.385 13 I CB -1.127 36.841 38.000 -0.054 0.000 1.064 13 I HN 0.178 nan 8.210 nan 0.000 0.414 14 A N 0.555 123.347 122.820 -0.047 0.000 1.872 14 A HA -0.201 4.119 4.320 -0.000 0.000 0.214 14 A C 2.519 180.082 177.584 -0.035 0.000 1.187 14 A CA 1.335 53.346 52.037 -0.042 0.000 0.614 14 A CB -0.649 18.323 19.000 -0.047 0.000 0.826 14 A HN 0.306 nan 8.150 nan 0.000 0.442 15 R N -0.388 120.091 120.500 -0.036 0.000 2.105 15 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 15 R C 0.108 176.394 176.300 -0.025 0.000 1.135 15 R CA 1.877 57.959 56.100 -0.029 0.000 0.967 15 R CB -0.179 30.103 30.300 -0.029 0.000 0.861 15 R HN 0.375 nan 8.270 nan 0.000 0.442 16 D N -0.567 119.818 120.400 -0.026 0.000 2.402 16 D HA 0.161 4.801 4.640 -0.000 0.000 0.216 16 D C 1.062 177.349 176.300 -0.022 0.000 1.128 16 D CA 0.418 54.405 54.000 -0.021 0.000 0.833 16 D CB 0.813 41.601 40.800 -0.020 0.000 0.971 16 D HN 0.266 nan 8.370 nan 0.000 0.503 17 A N 0.587 123.392 122.820 -0.025 0.000 1.903 17 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 17 A C 1.894 179.466 177.584 -0.020 0.000 1.191 17 A CA 1.085 53.107 52.037 -0.025 0.000 0.638 17 A CB -0.653 18.331 19.000 -0.025 0.000 0.823 17 A HN 0.333 nan 8.150 nan 0.000 0.451 18 L N -1.578 119.635 121.223 -0.017 0.000 2.627 18 L HA 0.035 4.375 4.340 -0.000 0.000 0.233 18 L C 1.532 178.395 176.870 -0.011 0.000 1.144 18 L CA 0.558 55.389 54.840 -0.014 0.000 0.892 18 L CB -0.157 41.894 42.059 -0.012 0.000 1.039 18 L HN 0.354 nan 8.230 nan 0.000 0.442 19 K N -0.487 119.905 120.400 -0.012 0.000 2.374 19 K HA 0.046 4.366 4.320 -0.000 0.000 0.202 19 K C 1.641 178.234 176.600 -0.012 0.000 1.040 19 K CA -0.193 56.088 56.287 -0.009 0.000 1.085 19 K CB 0.582 33.077 32.500 -0.008 0.000 0.873 19 K HN 0.069 nan 8.250 nan 0.000 0.539 20 K N 1.885 122.275 120.400 -0.017 0.000 2.020 20 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 20 K C 1.327 177.915 176.600 -0.019 0.000 1.050 20 K CA 1.832 58.106 56.287 -0.022 0.000 0.929 20 K CB -0.016 32.468 32.500 -0.026 0.000 0.714 20 K HN 0.176 nan 8.250 nan 0.000 0.443 21 N N -0.144 118.547 118.700 -0.014 0.000 2.166 21 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 21 N C 1.493 177.000 175.510 -0.004 0.000 1.019 21 N CA 1.256 54.300 53.050 -0.010 0.000 0.856 21 N CB 0.052 38.535 38.487 -0.007 0.000 0.993 21 N HN 0.242 nan 8.380 nan 0.000 0.426 22 E N 0.925 121.123 120.200 -0.003 0.000 2.072 22 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 22 E C 1.843 178.447 176.600 0.006 0.000 0.985 22 E CA 0.688 57.090 56.400 0.003 0.000 0.801 22 E CB -0.148 29.553 29.700 0.003 0.000 0.750 22 E HN 0.306 nan 8.360 nan 0.000 0.452 23 L N 0.197 121.421 121.223 0.001 0.000 2.141 23 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 23 L C 2.271 179.141 176.870 -0.001 0.000 1.094 23 L CA 0.610 55.452 54.840 0.003 0.000 0.763 23 L CB -0.202 41.854 42.059 -0.005 0.000 0.908 23 L HN 0.169 nan 8.230 nan 0.000 0.437 24 L N -1.327 119.889 121.223 -0.013 0.000 2.056 24 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 24 L C 2.797 179.674 176.870 0.011 0.000 1.078 24 L CA 1.089 55.917 54.840 -0.020 0.000 0.749 24 L CB -0.197 41.846 42.059 -0.027 0.000 0.901 24 L HN 0.233 nan 8.230 nan 0.000 0.433 25 S N -0.343 115.367 115.700 0.017 0.000 2.343 25 S HA -0.288 4.182 4.470 -0.000 0.000 0.219 25 S C 1.899 176.527 174.600 0.046 0.000 1.033 25 S CA 1.885 60.103 58.200 0.029 0.000 1.014 25 S CB -0.172 63.041 63.200 0.021 0.000 0.915 25 S HN 0.456 nan 8.310 nan 0.000 0.435 26 E N 0.496 120.721 120.200 0.043 0.000 2.086 26 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 26 E C 2.023 178.677 176.600 0.091 0.000 1.012 26 E CA 1.317 57.751 56.400 0.057 0.000 0.812 26 E CB -0.464 29.266 29.700 0.049 0.000 0.743 26 E HN 0.571 nan 8.360 nan 0.000 0.453 27 A N 0.373 123.251 122.820 0.097 0.000 2.076 27 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 27 A C 1.766 179.518 177.584 0.280 0.000 1.160 27 A CA 1.504 53.645 52.037 0.174 0.000 0.653 27 A CB -0.241 18.792 19.000 0.054 0.000 0.801 27 A HN 0.399 nan 8.150 nan 0.000 0.455 28 Q N 0.253 120.162 119.800 0.181 0.000 2.198 28 Q HA 0.113 4.453 4.340 -0.000 0.000 0.209 28 Q C 0.146 176.212 176.000 0.110 0.000 0.848 28 Q CA 0.220 56.133 55.803 0.184 0.000 0.974 28 Q CB 0.314 29.136 28.738 0.139 0.000 1.115 28 Q HN 0.689 nan 8.270 nan 0.000 0.494 29 S N -0.693 115.063 115.700 0.093 0.000 2.565 29 S HA 0.172 4.642 4.470 -0.000 0.000 0.276 29 S C 1.091 175.719 174.600 0.047 0.000 1.326 29 S CA -0.470 57.766 58.200 0.060 0.000 1.045 29 S CB 1.705 64.937 63.200 0.053 0.000 0.918 29 S HN 0.054 nan 8.310 nan 0.000 0.505 30 S N 2.140 117.859 115.700 0.031 0.000 2.383 30 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 30 S C 1.201 175.811 174.600 0.017 0.000 1.030 30 S CA 1.708 59.918 58.200 0.017 0.000 1.002 30 S CB -0.568 62.639 63.200 0.012 0.000 0.829 30 S HN 0.839 nan 8.310 nan 0.000 0.467 31 D N 0.858 121.272 120.400 0.022 0.000 2.117 31 D HA 0.070 4.710 4.640 -0.000 0.000 0.198 31 D C 0.832 177.149 176.300 0.029 0.000 0.982 31 D CA 0.297 54.310 54.000 0.021 0.000 0.828 31 D CB -0.295 40.517 40.800 0.020 0.000 0.967 31 D HN 0.332 nan 8.370 nan 0.000 0.464 32 I N 1.428 122.025 120.570 0.046 0.000 2.775 32 I HA -0.131 4.039 4.170 -0.000 0.000 0.290 32 I C -0.069 176.093 176.117 0.074 0.000 1.203 32 I CA -0.415 60.925 61.300 0.066 0.000 1.433 32 I CB 0.525 38.583 38.000 0.098 0.000 1.354 32 I HN -0.121 nan 8.210 nan 0.000 0.579 33 L N 8.494 129.771 121.223 0.089 0.000 2.410 33 L HA 0.241 4.581 4.340 -0.000 0.000 0.273 33 L C -0.626 176.380 176.870 0.227 0.000 1.152 33 L CA 0.438 55.356 54.840 0.131 0.000 0.855 33 L CB 0.922 43.031 42.059 0.083 0.000 1.129 33 L HN 0.324 nan 8.230 nan 0.000 0.463 34 V N 5.883 125.938 119.914 0.236 0.000 2.495 34 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 34 V C -0.840 175.380 176.094 0.211 0.000 1.031 34 V CA -0.665 61.733 62.300 0.163 0.000 0.871 34 V CB 1.687 33.416 31.823 -0.157 0.000 0.988 34 V HN 0.836 nan 8.190 nan 0.000 0.432 35 W N 5.370 126.635 121.300 -0.058 0.000 2.600 35 W HA 0.476 5.136 4.660 -0.000 0.000 0.325 35 W C -0.888 175.540 176.519 -0.153 0.000 1.034 35 W CA -0.790 56.350 57.345 -0.341 0.000 1.226 35 W CB 1.847 30.946 29.460 -0.602 0.000 1.379 35 W HN 0.645 nan 8.180 nan 0.000 0.466 36 N N 5.321 123.451 118.700 -0.950 0.000 2.420 36 N HA 0.242 4.982 4.740 -0.000 0.000 0.249 36 N C -0.234 174.825 175.510 -0.751 0.000 1.033 36 N CA -0.126 52.556 53.050 -0.612 0.000 0.944 36 N CB 0.670 38.875 38.487 -0.470 0.000 1.113 36 N HN 0.415 nan 8.380 nan 0.000 0.502 37 L N 1.926 123.011 121.223 -0.230 0.000 2.543 37 L HA 0.057 4.397 4.340 -0.000 0.000 0.285 37 L C 1.326 178.181 176.870 -0.025 0.000 1.236 37 L CA -0.024 54.821 54.840 0.008 0.000 0.871 37 L CB -0.033 42.099 42.059 0.122 0.000 1.121 37 L HN 0.608 nan 8.230 nan 0.000 0.501 38 T N -0.585 114.024 114.554 0.092 0.000 2.847 38 T HA 0.281 4.631 4.350 -0.000 0.000 0.279 38 T C -1.872 172.900 174.700 0.120 0.000 0.984 38 T CA -1.783 60.371 62.100 0.090 0.000 0.988 38 T CB 1.393 70.364 68.868 0.171 0.000 1.040 38 T HN 0.325 nan 8.240 nan 0.000 0.528 39 P HA -0.051 nan 4.420 nan 0.000 0.215 39 P C 1.693 179.080 177.300 0.145 0.000 1.153 39 P CA 0.975 64.151 63.100 0.126 0.000 0.853 39 P CB 0.046 31.824 31.700 0.131 0.000 0.788 40 R N -0.121 120.483 120.500 0.173 0.000 2.092 40 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 40 R C 2.250 178.659 176.300 0.182 0.000 1.119 40 R CA 1.455 57.637 56.100 0.137 0.000 0.970 40 R CB -0.409 29.921 30.300 0.050 0.000 0.864 40 R HN 0.212 nan 8.270 nan 0.000 0.440 41 Q N 0.085 120.012 119.800 0.211 0.000 2.170 41 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 41 Q C 2.150 178.305 176.000 0.258 0.000 0.976 41 Q CA 1.314 57.277 55.803 0.266 0.000 0.858 41 Q CB -0.002 28.874 28.738 0.230 0.000 0.907 41 Q HN 0.389 nan 8.270 nan 0.000 0.433 42 L N -0.476 120.854 121.223 0.178 0.000 2.093 42 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 42 L C 2.432 179.375 176.870 0.121 0.000 1.085 42 L CA 0.646 55.563 54.840 0.128 0.000 0.755 42 L CB -0.328 41.777 42.059 0.077 0.000 0.904 42 L HN 0.398 nan 8.230 nan 0.000 0.435 43 C N -0.149 119.230 119.300 0.132 0.000 2.432 43 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 43 C C 2.434 177.480 174.990 0.094 0.000 1.249 43 C CA 0.643 59.723 59.018 0.103 0.000 1.725 43 C CB -0.709 27.095 27.740 0.107 0.000 2.028 43 C HN 0.550 nan 8.230 nan 0.000 0.477 44 D N 0.407 120.930 120.400 0.205 0.000 2.117 44 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 44 D C 1.879 178.238 176.300 0.098 0.000 0.982 44 D CA 0.860 55.029 54.000 0.282 0.000 0.828 44 D CB -0.516 40.573 40.800 0.481 0.000 0.967 44 D HN 0.464 nan 8.370 nan 0.000 0.464 45 I N 0.819 121.484 120.570 0.159 0.000 2.361 45 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 45 I C 2.221 178.317 176.117 -0.036 0.000 1.133 45 I CA 1.163 62.508 61.300 0.075 0.000 1.413 45 I CB 0.143 38.285 38.000 0.236 0.000 1.073 45 I HN -0.040 nan 8.210 nan 0.000 0.424 46 E N 0.268 120.445 120.200 -0.038 0.000 2.106 46 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 46 E C 2.142 178.637 176.600 -0.176 0.000 0.984 46 E CA 0.830 57.188 56.400 -0.070 0.000 0.806 46 E CB 0.129 29.823 29.700 -0.010 0.000 0.750 46 E HN 0.365 nan 8.360 nan 0.000 0.458 47 L N 0.817 121.835 121.223 -0.341 0.000 2.217 47 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 47 L C 2.151 178.688 176.870 -0.555 0.000 1.107 47 L CA 1.100 55.550 54.840 -0.650 0.000 0.783 47 L CB -0.529 40.632 42.059 -1.498 0.000 0.919 47 L HN 0.324 nan 8.230 nan 0.000 0.442 48 I N -0.746 119.619 120.570 -0.342 0.000 2.296 48 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 48 I C 2.356 178.399 176.117 -0.123 0.000 1.087 48 I CA 0.707 61.928 61.300 -0.133 0.000 1.393 48 I CB -0.139 37.765 38.000 -0.161 0.000 1.093 48 I HN 0.115 nan 8.210 nan 0.000 0.421 49 L N 1.543 122.693 121.223 -0.122 0.000 2.191 49 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 49 L C 1.844 178.655 176.870 -0.099 0.000 1.103 49 L CA 1.290 56.076 54.840 -0.089 0.000 0.769 49 L CB -0.823 41.197 42.059 -0.065 0.000 0.908 49 L HN 0.516 nan 8.230 nan 0.000 0.438 50 N N -0.382 118.240 118.700 -0.130 0.000 2.280 50 N HA 0.051 4.791 4.740 -0.000 0.000 0.192 50 N C 1.196 176.595 175.510 -0.185 0.000 1.109 50 N CA 0.739 53.702 53.050 -0.145 0.000 0.855 50 N CB 0.605 39.007 38.487 -0.141 0.000 0.974 50 N HN 0.196 nan 8.380 nan 0.000 0.482 51 G N -1.312 107.395 108.800 -0.155 0.000 2.175 51 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 51 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 51 G C 1.039 175.851 174.900 -0.147 0.000 0.982 51 G CA 0.219 45.241 45.100 -0.129 0.000 0.641 51 G HN 0.662 nan 8.290 nan 0.000 0.527 52 G N -0.105 108.552 108.800 -0.239 0.000 2.448 52 G HA2 0.090 4.050 3.960 -0.000 0.000 0.219 52 G HA3 0.090 4.050 3.960 -0.000 0.000 0.219 52 G C 1.071 176.105 174.900 0.223 0.000 1.127 52 G CA 1.353 46.342 45.100 -0.184 0.000 0.766 52 G HN 0.434 nan 8.290 nan 0.000 0.552 53 F N 1.938 121.963 119.950 0.125 0.000 2.660 53 F HA 0.370 4.897 4.527 -0.000 0.000 0.297 53 F C 1.158 177.085 175.800 0.211 0.000 1.132 53 F CA -1.562 56.638 58.000 0.333 0.000 1.372 53 F CB -0.540 38.648 39.000 0.313 0.000 1.003 53 F HN -0.140 nan 8.300 nan 0.000 0.524 54 S N 3.606 119.484 115.700 0.296 0.000 2.558 54 S HA -0.017 4.453 4.470 -0.000 0.000 0.291 54 S C -1.138 173.626 174.600 0.273 0.000 1.306 54 S CA -0.511 57.793 58.200 0.173 0.000 1.056 54 S CB 0.448 63.718 63.200 0.116 0.000 0.836 54 S HN 0.181 nan 8.310 nan 0.000 0.504 55 P HA 0.077 nan 4.420 nan 0.000 0.245 55 P C -0.200 177.038 177.300 -0.103 0.000 1.212 55 P CA 0.030 63.119 63.100 -0.019 0.000 0.774 55 P CB 0.042 31.712 31.700 -0.051 0.000 0.999 56 L N 1.500 122.609 121.223 -0.190 0.000 2.525 56 L HA 0.022 4.362 4.340 -0.000 0.000 0.278 56 L C 1.615 178.421 176.870 -0.107 0.000 1.218 56 L CA 1.464 56.171 54.840 -0.222 0.000 0.878 56 L CB -0.175 41.706 42.059 -0.298 0.000 1.127 56 L HN 0.039 nan 8.230 nan 0.000 0.492 57 T N -1.179 113.309 114.554 -0.110 0.000 3.288 57 T HA 0.670 5.020 4.350 -0.000 0.000 0.293 57 T C 0.286 174.937 174.700 -0.082 0.000 1.008 57 T CA 0.062 62.116 62.100 -0.077 0.000 0.929 57 T CB -0.004 68.832 68.868 -0.054 0.000 1.152 57 T HN 0.879 nan 8.240 nan 0.000 0.517 58 G N 0.714 109.434 108.800 -0.134 0.000 2.323 58 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 58 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 58 G C -1.918 172.841 174.900 -0.234 0.000 1.278 58 G CA -1.070 43.945 45.100 -0.142 0.000 0.860 58 G HN 0.144 nan 8.290 nan 0.000 0.504 59 F N 1.015 120.976 119.950 0.019 0.000 2.396 59 F HA 0.534 5.061 4.527 -0.000 0.000 0.343 59 F C 1.274 177.078 175.800 0.006 0.000 1.104 59 F CA -0.634 57.370 58.000 0.007 0.000 1.161 59 F CB 1.205 40.196 39.000 -0.015 0.000 1.146 59 F HN 0.189 nan 8.300 nan 0.000 0.522 60 L N 3.919 125.241 121.223 0.166 0.000 2.559 60 L HA -0.002 4.338 4.340 -0.000 0.000 0.282 60 L C 0.622 177.633 176.870 0.235 0.000 1.232 60 L CA -0.014 54.910 54.840 0.141 0.000 0.885 60 L CB -0.174 41.973 42.059 0.145 0.000 1.131 60 L HN 0.734 nan 8.230 nan 0.000 0.498 61 N N 1.874 120.675 118.700 0.167 0.000 2.445 61 N HA 0.029 4.769 4.740 -0.000 0.000 0.264 61 N C 0.514 176.042 175.510 0.030 0.000 1.227 61 N CA -0.816 52.337 53.050 0.171 0.000 0.963 61 N CB 1.313 39.847 38.487 0.078 0.000 1.188 61 N HN 0.670 nan 8.380 nan 0.000 0.491 62 E N 0.485 120.457 120.200 -0.380 0.000 2.147 62 E HA -0.354 3.996 4.350 -0.000 0.000 0.199 62 E C 1.506 177.979 176.600 -0.210 0.000 1.005 62 E CA 1.401 57.321 56.400 -0.800 0.000 0.810 62 E CB -0.116 28.986 29.700 -0.996 0.000 0.736 62 E HN 0.690 nan 8.360 nan 0.000 0.460 63 N N 0.015 118.639 118.700 -0.126 0.000 2.025 63 N HA -0.190 4.550 4.740 -0.000 0.000 0.194 63 N C 1.531 177.023 175.510 -0.030 0.000 1.044 63 N CA 1.610 54.622 53.050 -0.064 0.000 0.851 63 N CB -0.051 38.407 38.487 -0.048 0.000 1.036 63 N HN 0.171 nan 8.380 nan 0.000 0.422 64 D N -0.379 120.019 120.400 -0.003 0.000 2.144 64 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 64 D C 1.730 178.054 176.300 0.040 0.000 0.978 64 D CA 0.648 54.647 54.000 -0.002 0.000 0.833 64 D CB -0.365 40.421 40.800 -0.024 0.000 0.961 64 D HN 0.399 nan 8.370 nan 0.000 0.470 65 Y N 1.683 121.975 120.300 -0.012 0.000 2.128 65 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 65 Y C 2.544 178.456 175.900 0.020 0.000 1.154 65 Y CA 2.073 60.204 58.100 0.052 0.000 1.149 65 Y CB -0.635 37.938 38.460 0.187 0.000 0.976 65 Y HN -0.132 nan 8.280 nan 0.000 0.505 66 S N -1.000 114.608 115.700 -0.153 0.000 2.356 66 S HA -0.251 4.219 4.470 -0.000 0.000 0.223 66 S C 2.416 176.895 174.600 -0.202 0.000 1.032 66 S CA 1.745 59.795 58.200 -0.249 0.000 1.005 66 S CB -1.138 62.003 63.200 -0.098 0.000 0.867 66 S HN 0.657 nan 8.310 nan 0.000 0.449 67 S N 0.129 115.759 115.700 -0.115 0.000 2.359 67 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 67 S C 1.883 176.426 174.600 -0.094 0.000 1.038 67 S CA 1.809 59.960 58.200 -0.082 0.000 1.051 67 S CB -0.837 62.334 63.200 -0.048 0.000 0.944 67 S HN 0.421 nan 8.310 nan 0.000 0.433 68 V N 1.507 121.367 119.914 -0.090 0.000 2.282 68 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 68 V C 2.491 178.489 176.094 -0.160 0.000 1.057 68 V CA 2.094 64.352 62.300 -0.069 0.000 1.032 68 V CB -0.844 30.985 31.823 0.011 0.000 0.645 68 V HN 0.452 nan 8.190 nan 0.000 0.447 69 V N 0.715 120.453 119.914 -0.294 0.000 2.255 69 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 69 V C 2.675 178.645 176.094 -0.206 0.000 1.051 69 V CA 2.726 64.832 62.300 -0.325 0.000 1.018 69 V CB -1.119 30.412 31.823 -0.487 0.000 0.641 69 V HN 0.839 nan 8.190 nan 0.000 0.445 70 T N -3.609 110.844 114.554 -0.168 0.000 3.054 70 T HA -0.031 4.319 4.350 -0.000 0.000 0.259 70 T C 1.278 175.940 174.700 -0.064 0.000 1.092 70 T CA 1.204 63.242 62.100 -0.103 0.000 1.121 70 T CB 0.022 68.838 68.868 -0.086 0.000 0.912 70 T HN 0.379 nan 8.240 nan 0.000 0.489 71 D N 0.004 120.367 120.400 -0.061 0.000 2.500 71 D HA 0.276 4.916 4.640 -0.000 0.000 0.217 71 D C 0.394 176.691 176.300 -0.005 0.000 1.159 71 D CA 0.058 54.045 54.000 -0.022 0.000 0.828 71 D CB 0.197 40.984 40.800 -0.020 0.000 1.039 71 D HN 0.173 nan 8.370 nan 0.000 0.512 72 S N -0.017 115.666 115.700 -0.027 0.000 3.521 72 S HA -0.247 4.223 4.470 -0.000 0.000 0.328 72 S C 0.251 174.837 174.600 -0.024 0.000 1.165 72 S CA 0.873 59.056 58.200 -0.029 0.000 0.941 72 S CB -0.902 62.312 63.200 0.024 0.000 0.951 72 S HN 0.416 nan 8.310 nan 0.000 0.539 73 R N -0.992 119.516 120.500 0.013 0.000 2.707 73 R HA 0.619 4.959 4.340 -0.000 0.000 0.272 73 R C -0.429 175.899 176.300 0.047 0.000 1.011 73 R CA -0.966 55.160 56.100 0.044 0.000 0.893 73 R CB 1.071 31.377 30.300 0.011 0.000 1.233 73 R HN 0.103 nan 8.270 nan 0.000 0.464 74 L N 1.039 122.293 121.223 0.052 0.000 2.475 74 L HA 0.240 4.580 4.340 -0.000 0.000 0.253 74 L C 1.685 178.542 176.870 -0.023 0.000 1.198 74 L CA 0.071 54.902 54.840 -0.015 0.000 0.814 74 L CB 0.645 42.663 42.059 -0.068 0.000 1.134 74 L HN 0.896 nan 8.230 nan 0.000 0.478 75 A N 0.962 123.760 122.820 -0.036 0.000 1.948 75 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 75 A C 1.557 179.124 177.584 -0.028 0.000 1.177 75 A CA 1.947 53.965 52.037 -0.032 0.000 0.636 75 A CB -0.711 18.269 19.000 -0.034 0.000 0.815 75 A HN 0.942 nan 8.150 nan 0.000 0.449 76 D N -2.045 118.335 120.400 -0.033 0.000 2.338 76 D HA 0.273 4.913 4.640 -0.000 0.000 0.239 76 D C 1.155 177.440 176.300 -0.025 0.000 1.095 76 D CA 1.066 55.047 54.000 -0.031 0.000 0.888 76 D CB -0.613 40.163 40.800 -0.039 0.000 0.899 76 D HN 0.818 nan 8.370 nan 0.000 0.525 77 G N -0.545 108.245 108.800 -0.018 0.000 2.268 77 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.240 77 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.240 77 G C 0.547 175.443 174.900 -0.007 0.000 1.010 77 G CA 0.192 45.286 45.100 -0.010 0.000 0.618 77 G HN 0.476 nan 8.290 nan 0.000 0.516 78 T N 2.430 116.976 114.554 -0.013 0.000 2.905 78 T HA 0.319 4.669 4.350 -0.000 0.000 0.299 78 T C 0.554 175.307 174.700 0.088 0.000 1.024 78 T CA 0.329 62.426 62.100 -0.005 0.000 1.151 78 T CB 1.301 70.152 68.868 -0.028 0.000 0.987 78 T HN 0.786 nan 8.240 nan 0.000 0.535 79 L N 5.192 126.479 121.223 0.107 0.000 2.513 79 L HA 0.296 4.636 4.340 -0.000 0.000 0.272 79 L C -0.662 176.391 176.870 0.305 0.000 1.187 79 L CA 0.291 55.182 54.840 0.086 0.000 0.895 79 L CB -0.232 41.802 42.059 -0.042 0.000 1.147 79 L HN 0.751 nan 8.230 nan 0.000 0.483 80 W N 5.576 126.833 121.300 -0.071 0.000 3.889 80 W HA 0.127 4.787 4.660 -0.000 0.000 0.310 80 W C -0.186 176.243 176.519 -0.150 0.000 1.167 80 W CA 0.121 57.423 57.345 -0.073 0.000 1.299 80 W CB 1.593 31.028 29.460 -0.041 0.000 1.214 80 W HN 0.695 nan 8.180 nan 0.000 0.451 81 T N 1.168 115.406 114.554 -0.527 0.000 3.022 81 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 81 T C 0.477 174.898 174.700 -0.464 0.000 1.060 81 T CA 0.303 62.181 62.100 -0.371 0.000 1.013 81 T CB 0.661 69.372 68.868 -0.261 0.000 0.982 81 T HN 0.134 nan 8.240 nan 0.000 0.508 82 I N 3.923 124.009 120.570 -0.806 0.000 2.382 82 I HA 0.416 4.586 4.170 -0.000 0.000 0.286 82 I C -2.653 173.286 176.117 -0.297 0.000 1.002 82 I CA -3.492 57.359 61.300 -0.749 0.000 1.135 82 I CB 1.449 38.458 38.000 -1.652 0.000 1.288 82 I HN -0.035 nan 8.210 nan 0.000 0.448 83 P HA 0.232 nan 4.420 nan 0.000 0.267 83 P C -0.525 176.833 177.300 0.097 0.000 1.205 83 P CA -0.013 63.158 63.100 0.119 0.000 0.765 83 P CB 1.119 32.959 31.700 0.234 0.000 0.828 84 I N 3.873 124.521 120.570 0.130 0.000 2.405 84 I HA 0.242 4.412 4.170 -0.000 0.000 0.280 84 I C 0.779 177.018 176.117 0.203 0.000 1.027 84 I CA 0.081 61.474 61.300 0.155 0.000 1.161 84 I CB 1.338 39.434 38.000 0.159 0.000 1.300 84 I HN 0.348 nan 8.210 nan 0.000 0.463 85 T N 3.014 117.618 114.554 0.083 0.000 2.930 85 T HA 0.645 4.995 4.350 -0.000 0.000 0.290 85 T C -0.709 173.841 174.700 -0.251 0.000 1.052 85 T CA -0.873 61.149 62.100 -0.130 0.000 1.017 85 T CB 1.937 70.261 68.868 -0.907 0.000 1.137 85 T HN 0.193 nan 8.240 nan 0.000 0.511 86 L N 3.366 124.271 121.223 -0.530 0.000 2.272 86 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 86 L C -0.631 175.927 176.870 -0.519 0.000 1.045 86 L CA -0.527 53.843 54.840 -0.784 0.000 0.842 86 L CB 0.101 41.517 42.059 -1.072 0.000 1.224 86 L HN 0.767 nan 8.230 nan 0.000 0.430 87 D N 5.426 125.619 120.400 -0.344 0.000 2.280 87 D HA 0.388 5.028 4.640 -0.000 0.000 0.243 87 D C -0.017 176.170 176.300 -0.190 0.000 1.129 87 D CA -0.344 53.588 54.000 -0.113 0.000 0.848 87 D CB 1.847 42.696 40.800 0.081 0.000 1.107 87 D HN 0.310 nan 8.370 nan 0.000 0.471 88 V N -0.776 118.994 119.914 -0.240 0.000 3.155 88 V HA 0.557 4.677 4.120 -0.000 0.000 0.313 88 V C -0.160 175.978 176.094 0.075 0.000 1.162 88 V CA -1.108 60.971 62.300 -0.369 0.000 1.048 88 V CB 1.983 33.333 31.823 -0.789 0.000 1.092 88 V HN 0.653 nan 8.190 nan 0.000 0.447 89 D N -0.495 120.024 120.400 0.197 0.000 2.348 89 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 89 D C 0.633 176.997 176.300 0.106 0.000 1.110 89 D CA -0.182 53.954 54.000 0.227 0.000 0.967 89 D CB 2.351 43.288 40.800 0.228 0.000 1.139 89 D HN 0.816 nan 8.370 nan 0.000 0.466 90 E N 0.368 120.590 120.200 0.037 0.000 2.130 90 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 90 E C 2.008 178.485 176.600 -0.205 0.000 0.998 90 E CA 1.496 57.703 56.400 -0.321 0.000 0.806 90 E CB -0.188 29.456 29.700 -0.095 0.000 0.738 90 E HN 0.590 nan 8.360 nan 0.000 0.459 91 A N 0.229 123.035 122.820 -0.024 0.000 1.902 91 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 91 A C 1.969 179.570 177.584 0.029 0.000 1.181 91 A CA 1.337 53.381 52.037 0.012 0.000 0.623 91 A CB -0.754 18.293 19.000 0.078 0.000 0.818 91 A HN 0.483 nan 8.150 nan 0.000 0.443 92 F N 0.566 120.502 119.950 -0.023 0.000 2.118 92 F HA 0.111 4.638 4.527 -0.000 0.000 0.293 92 F C 2.596 178.327 175.800 -0.116 0.000 1.102 92 F CA 0.940 58.937 58.000 -0.004 0.000 1.247 92 F CB -0.574 38.487 39.000 0.102 0.000 1.017 92 F HN 0.238 nan 8.300 nan 0.000 0.475 93 A N 0.345 123.080 122.820 -0.143 0.000 1.958 93 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 93 A C 1.949 179.337 177.584 -0.327 0.000 1.178 93 A CA 2.325 54.191 52.037 -0.284 0.000 0.642 93 A CB -1.383 17.341 19.000 -0.461 0.000 0.816 93 A HN 0.655 nan 8.150 nan 0.000 0.453 94 N N -0.885 117.628 118.700 -0.311 0.000 2.453 94 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 94 N C 1.547 176.926 175.510 -0.218 0.000 1.041 94 N CA 0.863 53.770 53.050 -0.238 0.000 0.900 94 N CB -0.063 38.309 38.487 -0.190 0.000 0.961 94 N HN 0.680 nan 8.380 nan 0.000 0.443 95 Q N 0.060 119.680 119.800 -0.300 0.000 2.384 95 Q HA 0.194 4.534 4.340 -0.000 0.000 0.207 95 Q C 0.122 175.942 176.000 -0.300 0.000 0.904 95 Q CA 0.202 55.833 55.803 -0.286 0.000 0.933 95 Q CB 0.836 29.369 28.738 -0.342 0.000 1.077 95 Q HN 0.352 nan 8.270 nan 0.000 0.522 96 I N 1.635 121.999 120.570 -0.343 0.000 2.519 96 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 96 I C -0.023 176.009 176.117 -0.142 0.000 1.047 96 I CA -0.171 60.977 61.300 -0.255 0.000 1.381 96 I CB 0.892 38.740 38.000 -0.254 0.000 1.417 96 I HN -0.083 nan 8.210 nan 0.000 0.540 97 K N 7.805 128.149 120.400 -0.093 0.000 2.502 97 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 97 K C -2.797 173.787 176.600 -0.026 0.000 0.938 97 K CA -1.670 54.585 56.287 -0.053 0.000 0.819 97 K CB 2.490 34.961 32.500 -0.048 0.000 1.333 97 K HN 0.119 nan 8.250 nan 0.000 0.434 98 P HA 0.060 nan 4.420 nan 0.000 0.269 98 P C -0.875 176.428 177.300 0.005 0.000 1.217 98 P CA 0.644 63.749 63.100 0.007 0.000 0.783 98 P CB 0.200 31.909 31.700 0.015 0.000 0.898 99 D N -2.907 117.501 120.400 0.013 0.000 3.028 99 D HA -0.126 4.514 4.640 -0.000 0.000 0.207 99 D C -0.390 175.918 176.300 0.013 0.000 1.100 99 D CA 1.533 55.542 54.000 0.014 0.000 0.995 99 D CB -1.801 39.004 40.800 0.009 0.000 1.108 99 D HN 0.350 nan 8.370 nan 0.000 0.421 100 T N 0.101 114.662 114.554 0.011 0.000 2.882 100 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 100 T C 0.465 175.185 174.700 0.032 0.000 1.014 100 T CA -0.321 61.786 62.100 0.011 0.000 1.049 100 T CB 1.291 70.152 68.868 -0.011 0.000 1.001 100 T HN 0.020 nan 8.240 nan 0.000 0.525 101 R N 1.706 122.231 120.500 0.042 0.000 2.337 101 R HA 0.488 4.828 4.340 -0.000 0.000 0.319 101 R C -0.626 175.732 176.300 0.096 0.000 0.954 101 R CA -0.374 55.767 56.100 0.067 0.000 0.840 101 R CB 0.813 31.149 30.300 0.060 0.000 1.164 101 R HN 0.536 nan 8.270 nan 0.000 0.472 102 I N 1.908 122.556 120.570 0.130 0.000 2.437 102 I HA 0.399 4.569 4.170 -0.000 0.000 0.298 102 I C 0.269 176.518 176.117 0.220 0.000 0.984 102 I CA -0.795 60.625 61.300 0.199 0.000 1.214 102 I CB 1.937 40.096 38.000 0.264 0.000 1.365 102 I HN 0.554 nan 8.210 nan 0.000 0.469 103 A N 7.537 130.520 122.820 0.272 0.000 2.260 103 A HA 0.670 4.990 4.320 -0.000 0.000 0.308 103 A C -0.535 177.305 177.584 0.427 0.000 1.254 103 A CA -0.486 51.751 52.037 0.333 0.000 0.874 103 A CB 0.270 19.542 19.000 0.453 0.000 1.153 103 A HN 0.667 nan 8.150 nan 0.000 0.527 104 L N 3.062 124.487 121.223 0.336 0.000 2.264 104 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 104 L C -0.901 176.140 176.870 0.285 0.000 1.044 104 L CA -0.236 54.806 54.840 0.336 0.000 0.807 104 L CB 0.542 42.757 42.059 0.260 0.000 1.192 104 L HN 0.598 nan 8.230 nan 0.000 0.425 105 F N 1.281 121.246 119.950 0.024 0.000 2.557 105 F HA 0.491 5.018 4.527 -0.000 0.000 0.336 105 F C 0.313 176.087 175.800 -0.042 0.000 1.058 105 F CA -0.634 57.357 58.000 -0.016 0.000 0.988 105 F CB 1.683 40.659 39.000 -0.040 0.000 1.275 105 F HN 0.388 nan 8.300 nan 0.000 0.488 106 Q N 0.780 120.649 119.800 0.115 0.000 2.337 106 Q HA 0.283 4.623 4.340 -0.000 0.000 0.266 106 Q C -1.110 174.927 176.000 0.061 0.000 1.023 106 Q CA -0.546 55.282 55.803 0.040 0.000 0.829 106 Q CB 1.298 30.020 28.738 -0.026 0.000 1.306 106 Q HN 0.707 nan 8.270 nan 0.000 0.449 107 D N 3.182 123.595 120.400 0.022 0.000 2.792 107 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 107 D C -0.733 175.584 176.300 0.029 0.000 1.160 107 D CA 1.650 55.659 54.000 0.015 0.000 0.697 107 D CB -0.750 40.067 40.800 0.029 0.000 1.070 107 D HN 0.899 nan 8.370 nan 0.000 0.426 108 D N -1.217 119.202 120.400 0.031 0.000 2.882 108 D HA -0.262 4.378 4.640 -0.000 0.000 0.229 108 D C 1.043 177.407 176.300 0.107 0.000 1.167 108 D CA 1.605 55.605 54.000 -0.000 0.000 0.759 108 D CB -0.557 40.192 40.800 -0.085 0.000 1.088 108 D HN 0.761 nan 8.370 nan 0.000 0.425 109 E N -0.765 119.606 120.200 0.285 0.000 2.701 109 E HA 0.092 4.442 4.350 -0.000 0.000 0.201 109 E C 0.362 177.133 176.600 0.287 0.000 0.961 109 E CA -0.170 56.402 56.400 0.287 0.000 1.659 109 E CB 0.787 30.562 29.700 0.125 0.000 1.970 109 E HN 0.149 nan 8.360 nan 0.000 1.021 110 I N 5.275 125.923 120.570 0.129 0.000 2.304 110 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 110 I C -2.321 173.525 176.117 -0.452 0.000 1.018 110 I CA -2.198 59.040 61.300 -0.103 0.000 1.260 110 I CB 1.327 39.283 38.000 -0.074 0.000 1.390 110 I HN -0.035 nan 8.210 nan 0.000 0.475 111 P HA 0.137 nan 4.420 nan 0.000 0.276 111 P C 0.246 177.260 177.300 -0.476 0.000 1.243 111 P CA -0.076 62.343 63.100 -1.135 0.000 0.768 111 P CB 1.756 32.879 31.700 -0.962 0.000 0.856 112 I N 1.784 122.154 120.570 -0.332 0.000 3.039 112 I HA 0.267 4.437 4.170 -0.000 0.000 0.270 112 I C 1.223 177.295 176.117 -0.075 0.000 1.150 112 I CA 0.438 61.652 61.300 -0.143 0.000 1.448 112 I CB -0.747 37.218 38.000 -0.057 0.000 1.197 112 I HN 0.363 nan 8.210 nan 0.000 0.450 113 A N 0.508 123.308 122.820 -0.034 0.000 2.586 113 A HA 0.656 4.976 4.320 -0.000 0.000 0.290 113 A C -1.504 176.118 177.584 0.064 0.000 1.086 113 A CA -0.406 51.644 52.037 0.021 0.000 0.665 113 A CB 1.414 20.453 19.000 0.066 0.000 1.279 113 A HN -0.063 nan 8.150 nan 0.000 0.423 114 I N 1.572 122.184 120.570 0.070 0.000 2.404 114 I HA 0.405 4.575 4.170 -0.000 0.000 0.293 114 I C -0.751 175.430 176.117 0.106 0.000 0.992 114 I CA -0.576 60.780 61.300 0.094 0.000 1.149 114 I CB 1.468 39.510 38.000 0.070 0.000 1.315 114 I HN 0.588 nan 8.210 nan 0.000 0.446 115 L N 6.538 127.838 121.223 0.129 0.000 2.313 115 L HA 0.499 4.839 4.340 -0.000 0.000 0.283 115 L C -0.437 176.494 176.870 0.101 0.000 1.013 115 L CA -0.061 54.857 54.840 0.131 0.000 0.816 115 L CB 1.577 43.729 42.059 0.155 0.000 1.236 115 L HN 0.551 nan 8.230 nan 0.000 0.419 116 T N 4.880 119.484 114.554 0.083 0.000 2.762 116 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 116 T C 0.300 175.038 174.700 0.063 0.000 0.977 116 T CA -0.277 61.860 62.100 0.063 0.000 0.961 116 T CB 0.961 69.857 68.868 0.047 0.000 0.944 116 T HN 0.403 nan 8.240 nan 0.000 0.481 117 V N 4.669 124.616 119.914 0.055 0.000 2.655 117 V HA 0.036 4.156 4.120 -0.000 0.000 0.300 117 V C 1.150 177.274 176.094 0.049 0.000 1.044 117 V CA 0.482 62.813 62.300 0.052 0.000 1.095 117 V CB 1.058 32.900 31.823 0.031 0.000 0.952 117 V HN 0.918 nan 8.190 nan 0.000 0.485 118 Q N 1.717 121.556 119.800 0.065 0.000 2.391 118 Q HA 0.188 4.528 4.340 -0.000 0.000 0.243 118 Q C -0.296 175.747 176.000 0.073 0.000 0.874 118 Q CA 0.369 56.209 55.803 0.061 0.000 0.950 118 Q CB 0.837 29.614 28.738 0.064 0.000 1.103 118 Q HN 1.038 nan 8.270 nan 0.000 0.544 119 D N -1.839 118.624 120.400 0.105 0.000 2.755 119 D HA 0.239 4.879 4.640 -0.000 0.000 0.277 119 D C -1.219 175.185 176.300 0.174 0.000 1.261 119 D CA -0.610 53.472 54.000 0.137 0.000 0.759 119 D CB 1.049 41.947 40.800 0.163 0.000 1.279 119 D HN -0.173 nan 8.370 nan 0.000 0.420 120 V N 0.657 120.679 119.914 0.179 0.000 2.623 120 V HA 0.742 4.862 4.120 -0.000 0.000 0.304 120 V C -1.184 175.045 176.094 0.226 0.000 1.054 120 V CA -0.746 61.623 62.300 0.114 0.000 0.882 120 V CB 1.067 32.905 31.823 0.025 0.000 1.002 120 V HN 0.723 nan 8.190 nan 0.000 0.424 121 Y N 1.257 121.600 120.300 0.071 0.000 2.597 121 Y HA 0.740 5.290 4.550 -0.000 0.000 0.340 121 Y C -0.671 175.178 175.900 -0.086 0.000 1.097 121 Y CA -1.500 56.614 58.100 0.023 0.000 1.037 121 Y CB 1.966 40.417 38.460 -0.015 0.000 1.305 121 Y HN 0.481 nan 8.280 nan 0.000 0.463 122 K N 4.580 124.953 120.400 -0.045 0.000 2.347 122 K HA 0.433 4.753 4.320 -0.000 0.000 0.262 122 K C -2.667 173.774 176.600 -0.264 0.000 1.052 122 K CA -2.020 54.022 56.287 -0.409 0.000 0.946 122 K CB 0.724 32.970 32.500 -0.424 0.000 1.220 122 K HN 0.592 nan 8.250 nan 0.000 0.450 123 P HA 0.030 nan 4.420 nan 0.000 0.274 123 P C -1.135 176.057 177.300 -0.180 0.000 1.237 123 P CA -0.352 62.601 63.100 -0.244 0.000 0.793 123 P CB 0.645 31.967 31.700 -0.630 0.000 0.977 124 N N 1.133 119.823 118.700 -0.016 0.000 2.439 124 N HA 0.031 4.771 4.740 -0.000 0.000 0.243 124 N C 1.047 176.560 175.510 0.005 0.000 1.088 124 N CA -0.442 52.604 53.050 -0.007 0.000 0.940 124 N CB 0.167 38.673 38.487 0.032 0.000 1.180 124 N HN 0.190 nan 8.380 nan 0.000 0.505 125 K N 1.321 121.679 120.400 -0.071 0.000 2.280 125 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 125 K C 1.205 177.836 176.600 0.052 0.000 1.047 125 K CA 1.083 57.286 56.287 -0.139 0.000 0.942 125 K CB 0.140 32.328 32.500 -0.519 0.000 0.739 125 K HN 0.552 nan 8.250 nan 0.000 0.457 126 T N 1.711 116.378 114.554 0.189 0.000 2.812 126 T HA -0.027 4.323 4.350 -0.000 0.000 0.264 126 T C 1.916 176.704 174.700 0.147 0.000 1.042 126 T CA 0.844 63.102 62.100 0.263 0.000 1.140 126 T CB -0.067 68.919 68.868 0.195 0.000 0.870 126 T HN 0.130 nan 8.240 nan 0.000 0.445 127 I N 0.975 121.595 120.570 0.083 0.000 2.179 127 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 127 I C 2.740 178.857 176.117 -0.001 0.000 1.088 127 I CA 1.370 62.689 61.300 0.032 0.000 1.357 127 I CB -0.354 37.652 38.000 0.010 0.000 1.051 127 I HN 0.326 nan 8.210 nan 0.000 0.409 128 E N 1.351 121.561 120.200 0.018 0.000 2.085 128 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 128 E C 2.236 178.790 176.600 -0.077 0.000 0.994 128 E CA 1.485 57.862 56.400 -0.039 0.000 0.801 128 E CB -0.033 29.742 29.700 0.125 0.000 0.743 128 E HN 0.490 nan 8.360 nan 0.000 0.453 129 A N 0.744 123.634 122.820 0.117 0.000 1.930 129 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 129 A C 1.911 179.566 177.584 0.118 0.000 1.175 129 A CA 1.537 53.726 52.037 0.254 0.000 0.627 129 A CB -0.367 18.883 19.000 0.418 0.000 0.815 129 A HN 0.325 nan 8.150 nan 0.000 0.443 130 E N -0.847 119.394 120.200 0.068 0.000 2.016 130 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 130 E C 2.368 178.950 176.600 -0.029 0.000 0.985 130 E CA 0.674 57.095 56.400 0.034 0.000 0.802 130 E CB -0.148 29.575 29.700 0.037 0.000 0.762 130 E HN 0.236 nan 8.360 nan 0.000 0.448 131 R N 0.502 120.955 120.500 -0.080 0.000 2.075 131 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 131 R C 2.321 178.504 176.300 -0.196 0.000 1.126 131 R CA 0.810 56.840 56.100 -0.116 0.000 0.963 131 R CB -0.785 29.439 30.300 -0.127 0.000 0.858 131 R HN 0.135 nan 8.270 nan 0.000 0.435 132 V N -0.384 119.293 119.914 -0.393 0.000 2.599 132 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 132 V C 1.119 176.860 176.094 -0.588 0.000 1.046 132 V CA 1.187 63.091 62.300 -0.660 0.000 1.065 132 V CB -0.307 30.785 31.823 -1.217 0.000 0.703 132 V HN 0.041 nan 8.190 nan 0.000 0.464 133 F N -0.371 119.528 119.950 -0.083 0.000 2.654 133 F HA 0.487 5.014 4.527 -0.000 0.000 0.303 133 F C 1.198 176.894 175.800 -0.173 0.000 1.099 133 F CA -0.924 56.937 58.000 -0.232 0.000 1.270 133 F CB -0.425 38.252 39.000 -0.538 0.000 1.024 133 F HN -0.053 nan 8.300 nan 0.000 0.548 134 R N -0.269 120.263 120.500 0.053 0.000 3.878 134 R HA -0.222 4.118 4.340 -0.000 0.000 0.330 134 R C 1.569 177.918 176.300 0.082 0.000 1.186 134 R CA 0.459 56.589 56.100 0.051 0.000 0.885 134 R CB -2.106 28.198 30.300 0.006 0.000 1.377 134 R HN 0.621 nan 8.270 nan 0.000 0.523 135 G N 0.284 109.147 108.800 0.104 0.000 2.322 135 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.264 135 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.264 135 G C 0.037 175.028 174.900 0.151 0.000 0.992 135 G CA 0.590 45.765 45.100 0.124 0.000 0.624 135 G HN 0.537 nan 8.290 nan 0.000 0.543 136 D N 1.588 122.113 120.400 0.208 0.000 2.401 136 D HA 0.255 4.895 4.640 -0.000 0.000 0.254 136 D C -0.157 176.305 176.300 0.271 0.000 1.192 136 D CA -1.301 52.851 54.000 0.252 0.000 0.885 136 D CB 1.303 42.338 40.800 0.393 0.000 1.147 136 D HN 0.227 nan 8.370 nan 0.000 0.478 137 P HA -0.094 nan 4.420 nan 0.000 0.228 137 P C 0.363 177.775 177.300 0.186 0.000 1.151 137 P CA 0.856 64.037 63.100 0.135 0.000 0.770 137 P CB 0.382 32.101 31.700 0.031 0.000 0.786 138 E N -1.702 118.661 120.200 0.273 0.000 2.474 138 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 138 E C 0.797 177.569 176.600 0.287 0.000 1.041 138 E CA -0.214 56.363 56.400 0.295 0.000 0.874 138 E CB -0.253 29.647 29.700 0.334 0.000 0.914 138 E HN 0.382 nan 8.360 nan 0.000 0.498 139 H N 2.277 121.423 119.070 0.127 0.000 3.004 139 H HA -0.002 4.554 4.556 -0.000 0.000 0.316 139 H C -1.790 173.445 175.328 -0.154 0.000 1.014 139 H CA -1.570 54.306 56.048 -0.288 0.000 1.454 139 H CB 1.202 30.872 29.762 -0.153 0.000 1.472 139 H HN -0.135 nan 8.280 nan 0.000 0.571 140 P HA -0.197 nan 4.420 nan 0.000 0.216 140 P C 1.166 178.519 177.300 0.088 0.000 1.154 140 P CA 2.340 65.443 63.100 0.004 0.000 0.865 140 P CB 0.050 31.689 31.700 -0.102 0.000 0.789 141 A N -0.923 121.963 122.820 0.111 0.000 1.933 141 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 141 A C 2.226 179.661 177.584 -0.248 0.000 1.175 141 A CA 1.522 53.336 52.037 -0.371 0.000 0.628 141 A CB -1.553 16.666 19.000 -1.303 0.000 0.814 141 A HN 0.142 nan 8.150 nan 0.000 0.444 142 I N -1.142 119.406 120.570 -0.037 0.000 2.353 142 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 142 I C 2.769 179.092 176.117 0.343 0.000 1.119 142 I CA 1.276 62.709 61.300 0.221 0.000 1.417 142 I CB -0.257 37.915 38.000 0.286 0.000 1.078 142 I HN 0.392 nan 8.210 nan 0.000 0.421 143 S N 0.248 116.096 115.700 0.247 0.000 2.368 143 S HA -0.255 4.215 4.470 -0.000 0.000 0.225 143 S C 2.158 176.881 174.600 0.205 0.000 1.030 143 S CA 1.362 59.696 58.200 0.223 0.000 0.999 143 S CB -0.378 62.917 63.200 0.159 0.000 0.844 143 S HN 0.477 nan 8.310 nan 0.000 0.459 144 Y N 1.427 121.775 120.300 0.080 0.000 2.114 144 Y HA -0.097 4.453 4.550 -0.000 0.000 0.284 144 Y C 2.131 178.068 175.900 0.060 0.000 1.143 144 Y CA 1.854 59.987 58.100 0.056 0.000 1.135 144 Y CB -0.559 37.907 38.460 0.010 0.000 0.980 144 Y HN 0.331 nan 8.280 nan 0.000 0.499 145 L N -0.562 120.821 121.223 0.267 0.000 2.081 145 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 145 L C 1.753 178.547 176.870 -0.127 0.000 1.080 145 L CA 1.985 56.891 54.840 0.109 0.000 0.754 145 L CB -0.845 41.251 42.059 0.061 0.000 0.893 145 L HN 0.288 nan 8.230 nan 0.000 0.433 146 F N -1.125 118.870 119.950 0.076 0.000 2.446 146 F HA 0.065 4.592 4.527 -0.000 0.000 0.292 146 F C 1.960 177.757 175.800 -0.006 0.000 1.096 146 F CA 1.044 59.068 58.000 0.039 0.000 1.438 146 F CB -0.126 38.905 39.000 0.051 0.000 1.107 146 F HN 0.175 nan 8.300 nan 0.000 0.546 147 N N -1.258 117.512 118.700 0.117 0.000 2.282 147 N HA 0.065 4.805 4.740 -0.000 0.000 0.185 147 N C 0.957 176.411 175.510 -0.092 0.000 1.099 147 N CA 0.212 53.279 53.050 0.028 0.000 0.878 147 N CB 0.890 39.400 38.487 0.038 0.000 0.993 147 N HN -0.009 nan 8.380 nan 0.000 0.481 148 V N 0.056 119.816 119.914 -0.256 0.000 3.058 148 V HA 0.320 4.440 4.120 -0.000 0.000 0.233 148 V C 0.808 176.732 176.094 -0.283 0.000 1.255 148 V CA -0.059 62.008 62.300 -0.390 0.000 1.267 148 V CB -0.283 31.013 31.823 -0.878 0.000 1.049 148 V HN 0.146 nan 8.190 nan 0.000 0.486 149 A N 1.328 123.978 122.820 -0.284 0.000 2.531 149 A HA 0.492 4.812 4.320 -0.000 0.000 0.236 149 A C 0.955 178.570 177.584 0.052 0.000 1.062 149 A CA 0.705 52.759 52.037 0.028 0.000 0.760 149 A CB -0.396 18.724 19.000 0.200 0.000 0.995 149 A HN 0.551 nan 8.150 nan 0.000 0.501 150 G N 0.425 109.292 108.800 0.112 0.000 2.614 150 G HA2 0.313 4.273 3.960 -0.000 0.000 0.239 150 G HA3 0.313 4.273 3.960 -0.000 0.000 0.239 150 G C 0.036 174.961 174.900 0.043 0.000 1.240 150 G CA -0.127 45.036 45.100 0.106 0.000 0.842 150 G HN 0.683 nan 8.290 nan 0.000 0.584 151 D N -0.889 119.509 120.400 -0.003 0.000 2.340 151 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 151 D C -0.332 175.591 176.300 -0.629 0.000 1.039 151 D CA 0.703 54.541 54.000 -0.269 0.000 0.866 151 D CB 0.158 40.808 40.800 -0.250 0.000 0.913 151 D HN 0.331 nan 8.370 nan 0.000 0.523 152 Y N -0.553 119.647 120.300 -0.166 0.000 2.446 152 Y HA 0.358 4.908 4.550 -0.000 0.000 0.345 152 Y C -0.255 175.538 175.900 -0.178 0.000 0.984 152 Y CA -0.994 56.960 58.100 -0.244 0.000 1.058 152 Y CB 1.383 39.745 38.460 -0.162 0.000 1.220 152 Y HN -0.170 nan 8.280 nan 0.000 0.455 153 Y N 1.459 121.417 120.300 -0.570 0.000 2.420 153 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 153 Y C -0.577 174.941 175.900 -0.636 0.000 1.094 153 Y CA -1.377 56.273 58.100 -0.750 0.000 1.126 153 Y CB 2.006 39.702 38.460 -1.273 0.000 1.217 153 Y HN 0.151 nan 8.280 nan 0.000 0.462 154 V N 2.691 122.453 119.914 -0.254 0.000 2.349 154 V HA 0.378 4.498 4.120 -0.000 0.000 0.284 154 V C 0.237 176.319 176.094 -0.020 0.000 1.014 154 V CA -0.719 61.501 62.300 -0.134 0.000 0.826 154 V CB 1.168 32.893 31.823 -0.163 0.000 1.009 154 V HN 0.939 nan 8.190 nan 0.000 0.431 155 G N 2.613 111.499 108.800 0.142 0.000 2.420 155 G HA2 0.736 4.696 3.960 -0.000 0.000 0.284 155 G HA3 0.736 4.696 3.960 -0.000 0.000 0.284 155 G C 0.029 175.016 174.900 0.145 0.000 1.177 155 G CA 0.109 45.328 45.100 0.199 0.000 0.841 155 G HN 1.214 nan 8.290 nan 0.000 0.527 156 G N -0.529 108.363 108.800 0.154 0.000 2.355 156 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 156 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 156 G C -0.461 174.511 174.900 0.119 0.000 1.507 156 G CA 0.044 45.216 45.100 0.120 0.000 0.823 156 G HN 1.350 nan 8.290 nan 0.000 0.569 157 S N -0.248 115.499 115.700 0.079 0.000 2.610 157 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 157 S C -0.299 174.342 174.600 0.069 0.000 1.274 157 S CA -0.691 57.541 58.200 0.053 0.000 1.023 157 S CB 1.628 64.844 63.200 0.027 0.000 0.962 157 S HN 0.594 nan 8.310 nan 0.000 0.523 158 L N 1.303 122.553 121.223 0.046 0.000 2.330 158 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 158 L C 0.074 176.960 176.870 0.027 0.000 1.013 158 L CA -0.435 54.437 54.840 0.054 0.000 0.816 158 L CB 1.417 43.503 42.059 0.044 0.000 1.287 158 L HN 0.887 nan 8.230 nan 0.000 0.435 159 E N 0.985 121.204 120.200 0.032 0.000 2.216 159 E HA 0.585 4.935 4.350 -0.000 0.000 0.260 159 E C -0.924 175.681 176.600 0.009 0.000 0.880 159 E CA -0.737 55.672 56.400 0.014 0.000 0.765 159 E CB 2.071 31.782 29.700 0.019 0.000 1.174 159 E HN 0.688 nan 8.360 nan 0.000 0.417 160 A N 3.810 126.625 122.820 -0.008 0.000 2.440 160 A HA 0.275 4.595 4.320 -0.000 0.000 0.251 160 A C 0.572 178.138 177.584 -0.029 0.000 1.089 160 A CA 0.051 52.076 52.037 -0.020 0.000 0.779 160 A CB 0.126 19.107 19.000 -0.032 0.000 1.022 160 A HN 0.778 nan 8.150 nan 0.000 0.492 161 I N 0.087 120.632 120.570 -0.043 0.000 3.300 161 I HA 0.114 4.284 4.170 -0.000 0.000 0.279 161 I C 0.734 176.810 176.117 -0.067 0.000 1.172 161 I CA 0.534 61.798 61.300 -0.060 0.000 1.431 161 I CB 0.161 38.107 38.000 -0.090 0.000 1.240 161 I HN 0.892 nan 8.210 nan 0.000 0.453 162 Q N 0.551 120.307 119.800 -0.072 0.000 2.666 162 Q HA 0.401 4.741 4.340 -0.000 0.000 0.276 162 Q C -1.551 174.404 176.000 -0.074 0.000 0.952 162 Q CA -0.776 54.983 55.803 -0.074 0.000 0.850 162 Q CB 1.526 30.211 28.738 -0.088 0.000 1.512 162 Q HN 0.023 nan 8.270 nan 0.000 0.395 163 L N 1.146 122.327 121.223 -0.069 0.000 2.452 163 L HA 0.429 4.769 4.340 -0.000 0.000 0.267 163 L C -1.976 174.833 176.870 -0.102 0.000 1.188 163 L CA -1.889 52.913 54.840 -0.063 0.000 0.821 163 L CB -0.087 41.950 42.059 -0.038 0.000 1.102 163 L HN 0.495 nan 8.230 nan 0.000 0.470 164 P HA -0.057 nan 4.420 nan 0.000 0.266 164 P C -0.867 176.196 177.300 -0.396 0.000 1.193 164 P CA -0.047 62.917 63.100 -0.226 0.000 0.770 164 P CB 0.404 31.980 31.700 -0.207 0.000 0.836 165 Q N 1.994 121.534 119.800 -0.433 0.000 2.288 165 Q HA 0.246 4.586 4.340 -0.000 0.000 0.254 165 Q C -0.987 174.591 176.000 -0.703 0.000 0.932 165 Q CA 0.428 55.927 55.803 -0.507 0.000 0.902 165 Q CB 0.299 28.780 28.738 -0.428 0.000 1.203 165 Q HN 0.463 nan 8.270 nan 0.000 0.415 166 H N 2.471 121.319 119.070 -0.370 0.000 2.934 166 H HA 0.227 4.783 4.556 -0.000 0.000 0.340 166 H C -0.915 174.232 175.328 -0.301 0.000 1.008 166 H CA -0.471 55.441 56.048 -0.227 0.000 1.317 166 H CB 0.999 30.704 29.762 -0.094 0.000 1.670 166 H HN 0.729 nan 8.280 nan 0.000 0.516 167 Y N -0.071 120.289 120.300 0.099 0.000 2.478 167 Y HA 0.022 4.572 4.550 -0.000 0.000 0.261 167 Y C 0.408 176.294 175.900 -0.024 0.000 1.127 167 Y CA -0.489 57.628 58.100 0.028 0.000 1.288 167 Y CB 0.435 38.894 38.460 -0.001 0.000 1.084 167 Y HN 0.603 nan 8.280 nan 0.000 0.530 168 D N -1.443 119.004 120.400 0.079 0.000 2.177 168 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 168 D C -0.441 175.744 176.300 -0.192 0.000 1.063 168 D CA -0.883 52.984 54.000 -0.221 0.000 0.867 168 D CB 0.490 41.093 40.800 -0.328 0.000 1.168 168 D HN 0.177 nan 8.370 nan 0.000 0.445 169 Y N -1.287 119.057 120.300 0.072 0.000 3.234 169 Y HA -0.173 4.377 4.550 -0.000 0.000 0.207 169 Y C -1.603 174.300 175.900 0.006 0.000 1.316 169 Y CA 0.006 58.120 58.100 0.023 0.000 1.309 169 Y CB -2.704 35.751 38.460 -0.008 0.000 1.408 169 Y HN 0.444 nan 8.280 nan 0.000 0.544 170 P HA -0.241 nan 4.420 nan 0.000 0.220 170 P C 1.708 179.044 177.300 0.059 0.000 1.155 170 P CA 2.641 65.782 63.100 0.069 0.000 0.880 170 P CB 0.024 31.757 31.700 0.055 0.000 0.790 171 G N -2.240 106.597 108.800 0.063 0.000 3.126 171 G HA2 0.068 4.028 3.960 -0.000 0.000 0.224 171 G HA3 0.068 4.028 3.960 -0.000 0.000 0.224 171 G C 1.130 176.055 174.900 0.042 0.000 1.142 171 G CA -0.116 45.010 45.100 0.043 0.000 0.759 171 G HN 0.217 nan 8.290 nan 0.000 0.550 172 L N -0.621 120.633 121.223 0.051 0.000 2.446 172 L HA 0.276 4.616 4.340 -0.000 0.000 0.219 172 L C 1.625 178.499 176.870 0.007 0.000 1.116 172 L CA 0.032 54.880 54.840 0.014 0.000 0.844 172 L CB 0.209 42.255 42.059 -0.022 0.000 0.970 172 L HN -0.012 nan 8.230 nan 0.000 0.457 173 R N 1.602 122.105 120.500 0.006 0.000 2.891 173 R HA 0.098 4.438 4.340 -0.000 0.000 0.248 173 R C -0.425 175.895 176.300 0.034 0.000 1.439 173 R CA -0.312 55.777 56.100 -0.018 0.000 1.288 173 R CB 0.219 30.478 30.300 -0.067 0.000 1.212 173 R HN -0.094 nan 8.270 nan 0.000 0.605 174 K N 1.777 122.219 120.400 0.071 0.000 2.350 174 K HA 0.054 4.374 4.320 -0.000 0.000 0.279 174 K C 0.612 177.308 176.600 0.160 0.000 1.027 174 K CA -0.017 56.318 56.287 0.081 0.000 0.969 174 K CB 0.992 33.530 32.500 0.064 0.000 0.954 174 K HN 0.436 nan 8.250 nan 0.000 0.474 175 T N -0.287 114.312 114.554 0.075 0.000 2.849 175 T HA 0.205 4.555 4.350 -0.000 0.000 0.284 175 T C -1.709 172.951 174.700 -0.066 0.000 1.004 175 T CA -1.742 60.380 62.100 0.036 0.000 1.021 175 T CB 0.974 69.804 68.868 -0.063 0.000 1.013 175 T HN 0.137 nan 8.240 nan 0.000 0.527 176 P HA -0.116 nan 4.420 nan 0.000 0.216 176 P C 1.656 178.806 177.300 -0.249 0.000 1.153 176 P CA 1.782 64.587 63.100 -0.492 0.000 0.858 176 P CB -0.294 30.983 31.700 -0.705 0.000 0.789 177 A N -0.766 121.931 122.820 -0.205 0.000 1.898 177 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 177 A C 2.240 179.729 177.584 -0.159 0.000 1.181 177 A CA 1.626 53.571 52.037 -0.154 0.000 0.620 177 A CB -1.266 17.661 19.000 -0.121 0.000 0.819 177 A HN 0.190 nan 8.150 nan 0.000 0.442 178 Q N -0.610 119.102 119.800 -0.147 0.000 2.079 178 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 178 Q C 2.125 177.965 176.000 -0.267 0.000 0.974 178 Q CA 1.209 56.920 55.803 -0.153 0.000 0.840 178 Q CB -0.242 28.442 28.738 -0.091 0.000 0.898 178 Q HN 0.639 nan 8.270 nan 0.000 0.430 179 L N 0.276 121.302 121.223 -0.328 0.000 2.017 179 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 179 L C 2.419 178.732 176.870 -0.929 0.000 1.073 179 L CA 1.337 55.757 54.840 -0.699 0.000 0.745 179 L CB -0.214 41.469 42.059 -0.626 0.000 0.894 179 L HN 0.218 nan 8.230 nan 0.000 0.432 180 R N -0.498 119.685 120.500 -0.528 0.000 2.139 180 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 180 R C 2.200 178.349 176.300 -0.252 0.000 1.145 180 R CA 1.173 57.082 56.100 -0.319 0.000 0.976 180 R CB -0.197 30.017 30.300 -0.143 0.000 0.866 180 R HN 0.372 nan 8.270 nan 0.000 0.449 181 L N 0.241 121.304 121.223 -0.266 0.000 2.131 181 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 181 L C 2.281 179.008 176.870 -0.239 0.000 1.087 181 L CA 0.938 55.663 54.840 -0.191 0.000 0.767 181 L CB -0.218 41.750 42.059 -0.151 0.000 0.917 181 L HN 0.175 nan 8.230 nan 0.000 0.441 182 E N 0.011 119.977 120.200 -0.391 0.000 2.085 182 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 182 E C 2.161 178.521 176.600 -0.401 0.000 0.994 182 E CA 1.349 57.476 56.400 -0.454 0.000 0.801 182 E CB -0.203 29.026 29.700 -0.785 0.000 0.743 182 E HN 0.336 nan 8.360 nan 0.000 0.453 183 F N 1.737 121.435 119.950 -0.420 0.000 2.102 183 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 183 F C 2.559 178.229 175.800 -0.218 0.000 1.105 183 F CA 0.963 58.769 58.000 -0.322 0.000 1.239 183 F CB -1.247 37.699 39.000 -0.091 0.000 0.991 183 F HN 0.071 nan 8.300 nan 0.000 0.474 184 Q N 0.030 119.855 119.800 0.042 0.000 2.096 184 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 184 Q C 2.358 178.336 176.000 -0.037 0.000 0.982 184 Q CA 2.199 58.010 55.803 0.014 0.000 0.850 184 Q CB -0.579 28.156 28.738 -0.005 0.000 0.901 184 Q HN 0.499 nan 8.270 nan 0.000 0.422 185 S N 0.498 116.143 115.700 -0.092 0.000 2.442 185 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 185 S C 1.663 176.195 174.600 -0.113 0.000 1.007 185 S CA 0.880 59.024 58.200 -0.094 0.000 0.965 185 S CB -0.081 63.054 63.200 -0.110 0.000 0.773 185 S HN 0.287 nan 8.310 nan 0.000 0.504 186 R N 0.304 120.682 120.500 -0.202 0.000 2.362 186 R HA 0.282 4.622 4.340 -0.000 0.000 0.227 186 R C 0.282 176.573 176.300 -0.014 0.000 0.905 186 R CA 0.260 56.206 56.100 -0.256 0.000 1.067 186 R CB -0.028 29.754 30.300 -0.864 0.000 1.078 186 R HN 0.453 nan 8.270 nan 0.000 0.516 187 Q N -0.982 118.844 119.800 0.043 0.000 2.503 187 Q HA -0.176 4.164 4.340 -0.000 0.000 0.267 187 Q C -1.256 174.920 176.000 0.293 0.000 1.030 187 Q CA 0.467 56.356 55.803 0.143 0.000 1.041 187 Q CB -1.220 27.594 28.738 0.127 0.000 1.406 187 Q HN 0.285 nan 8.270 nan 0.000 0.524 188 W N 2.011 123.310 121.300 -0.002 0.000 2.437 188 W HA 0.177 4.837 4.660 -0.000 0.000 0.312 188 W C 0.847 177.325 176.519 -0.068 0.000 1.242 188 W CA -0.050 57.253 57.345 -0.069 0.000 1.340 188 W CB 0.205 29.568 29.460 -0.161 0.000 1.327 188 W HN 0.218 nan 8.180 nan 0.000 0.476 189 D N 1.208 121.677 120.400 0.116 0.000 2.433 189 D HA 0.090 4.730 4.640 -0.000 0.000 0.211 189 D C 0.139 176.452 176.300 0.022 0.000 1.114 189 D CA -0.061 53.981 54.000 0.070 0.000 0.837 189 D CB 0.185 41.023 40.800 0.063 0.000 0.984 189 D HN 0.232 nan 8.370 nan 0.000 0.505 190 R N 0.258 120.728 120.500 -0.050 0.000 2.518 190 R HA 0.597 4.937 4.340 -0.000 0.000 0.296 190 R C -1.690 174.488 176.300 -0.204 0.000 1.080 190 R CA -0.645 55.414 56.100 -0.068 0.000 0.922 190 R CB 2.696 32.942 30.300 -0.090 0.000 1.184 190 R HN -0.125 nan 8.270 nan 0.000 0.445 191 V N 3.375 123.194 119.914 -0.160 0.000 2.525 191 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 191 V C -0.590 175.456 176.094 -0.080 0.000 1.034 191 V CA -0.898 61.239 62.300 -0.272 0.000 0.863 191 V CB 2.190 33.667 31.823 -0.577 0.000 0.999 191 V HN 0.487 nan 8.190 nan 0.000 0.423 192 V N 5.284 125.143 119.914 -0.091 0.000 2.407 192 V HA 0.871 4.991 4.120 -0.000 0.000 0.278 192 V C 0.488 176.646 176.094 0.108 0.000 1.037 192 V CA -0.047 62.288 62.300 0.058 0.000 0.900 192 V CB 1.360 33.186 31.823 0.006 0.000 0.983 192 V HN 1.104 nan 8.190 nan 0.000 0.459 193 A N 6.548 129.508 122.820 0.233 0.000 2.306 193 A HA 0.756 5.076 4.320 -0.000 0.000 0.314 193 A C -0.962 176.831 177.584 0.349 0.000 1.164 193 A CA -0.457 51.754 52.037 0.290 0.000 0.822 193 A CB 0.746 19.949 19.000 0.338 0.000 1.130 193 A HN 1.038 nan 8.150 nan 0.000 0.496 194 F N 2.047 122.056 119.950 0.099 0.000 2.427 194 F HA 0.524 5.051 4.527 -0.000 0.000 0.348 194 F C 0.060 175.872 175.800 0.021 0.000 1.125 194 F CA -0.721 57.281 58.000 0.003 0.000 0.989 194 F CB 1.728 40.695 39.000 -0.055 0.000 1.165 194 F HN 0.700 nan 8.300 nan 0.000 0.442 195 Q N 4.209 123.721 119.800 -0.481 0.000 2.259 195 Q HA 0.634 4.974 4.340 -0.000 0.000 0.246 195 Q C -1.057 174.369 176.000 -0.957 0.000 0.920 195 Q CA -0.021 55.495 55.803 -0.478 0.000 0.895 195 Q CB 1.696 30.377 28.738 -0.094 0.000 1.220 195 Q HN 0.768 nan 8.270 nan 0.000 0.439 196 T N 1.936 116.091 114.554 -0.666 0.000 3.128 196 T HA 0.455 4.805 4.350 -0.000 0.000 0.363 196 T C -1.231 173.283 174.700 -0.309 0.000 1.610 196 T CA -0.480 61.283 62.100 -0.562 0.000 1.126 196 T CB 0.503 69.006 68.868 -0.609 0.000 1.416 196 T HN 0.848 nan 8.240 nan 0.000 0.480 197 R N 2.231 122.620 120.500 -0.185 0.000 2.572 197 R HA 0.470 4.810 4.340 -0.000 0.000 0.370 197 R C 0.093 176.389 176.300 -0.006 0.000 1.005 197 R CA -0.630 55.427 56.100 -0.073 0.000 1.146 197 R CB 0.093 30.347 30.300 -0.076 0.000 1.390 197 R HN 0.375 nan 8.270 nan 0.000 0.553 198 N N 1.026 119.724 118.700 -0.003 0.000 2.469 198 N HA 0.441 5.181 4.740 -0.000 0.000 0.286 198 N C -2.868 172.650 175.510 0.012 0.000 1.275 198 N CA -2.260 50.793 53.050 0.004 0.000 0.790 198 N CB 2.410 40.890 38.487 -0.012 0.000 1.446 198 N HN -0.127 nan 8.380 nan 0.000 0.501 199 P HA 0.100 nan 4.420 nan 0.000 0.272 199 P C -1.116 176.008 177.300 -0.293 0.000 1.230 199 P CA 0.208 63.190 63.100 -0.197 0.000 0.788 199 P CB 0.751 32.320 31.700 -0.219 0.000 0.949 200 M N 1.916 121.401 119.600 -0.190 0.000 2.264 200 M HA 0.298 4.778 4.480 -0.000 0.000 0.352 200 M C 0.523 176.705 176.300 -0.196 0.000 1.173 200 M CA -0.306 54.928 55.300 -0.109 0.000 1.075 200 M CB 0.898 33.574 32.600 0.126 0.000 1.621 200 M HN 0.389 nan 8.290 nan 0.000 0.457 201 H N 0.478 119.782 119.070 0.390 0.000 2.896 201 H HA 0.418 4.974 4.556 -0.000 0.000 0.318 201 H C 0.456 175.627 175.328 -0.262 0.000 1.409 201 H CA -0.803 55.184 56.048 -0.102 0.000 1.328 201 H CB 0.773 30.178 29.762 -0.594 0.000 1.940 201 H HN 0.497 nan 8.280 nan 0.000 0.665 202 R N 0.877 121.182 120.500 -0.324 0.000 2.134 202 R HA -0.207 4.133 4.340 -0.000 0.000 0.248 202 R C 2.182 177.953 176.300 -0.883 0.000 1.143 202 R CA 2.182 57.967 56.100 -0.525 0.000 0.957 202 R CB -0.978 28.999 30.300 -0.537 0.000 0.867 202 R HN 0.725 nan 8.270 nan 0.000 0.441 203 A N 0.262 122.363 122.820 -1.199 0.000 1.892 203 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 203 A C 1.887 179.041 177.584 -0.717 0.000 1.188 203 A CA 1.974 53.338 52.037 -1.121 0.000 0.631 203 A CB -0.830 17.725 19.000 -0.741 0.000 0.822 203 A HN 0.459 nan 8.150 nan 0.000 0.447 204 H N -0.976 117.889 119.070 -0.341 0.000 2.353 204 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 204 H C 2.253 177.313 175.328 -0.446 0.000 1.090 204 H CA 1.561 57.391 56.048 -0.363 0.000 1.327 204 H CB -0.401 29.240 29.762 -0.200 0.000 1.383 204 H HN 0.397 nan 8.280 nan 0.000 0.508 205 R N 1.362 121.719 120.500 -0.239 0.000 2.083 205 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 205 R C 1.864 177.937 176.300 -0.377 0.000 1.137 205 R CA 1.405 57.310 56.100 -0.326 0.000 0.951 205 R CB -0.011 30.127 30.300 -0.271 0.000 0.851 205 R HN 0.224 nan 8.270 nan 0.000 0.434 206 E N 0.701 120.688 120.200 -0.356 0.000 2.077 206 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 206 E C 1.902 178.338 176.600 -0.273 0.000 0.989 206 E CA 1.418 57.654 56.400 -0.274 0.000 0.800 206 E CB -0.369 29.192 29.700 -0.232 0.000 0.746 206 E HN 0.419 nan 8.360 nan 0.000 0.452 207 L N -0.396 120.585 121.223 -0.405 0.000 2.109 207 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 207 L C 2.140 178.676 176.870 -0.557 0.000 1.086 207 L CA 2.225 56.687 54.840 -0.630 0.000 0.760 207 L CB -1.731 39.787 42.059 -0.902 0.000 0.910 207 L HN 0.126 nan 8.230 nan 0.000 0.437 208 T N -2.841 111.437 114.554 -0.459 0.000 2.821 208 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 208 T C 1.845 176.486 174.700 -0.098 0.000 1.046 208 T CA 1.492 63.417 62.100 -0.292 0.000 1.139 208 T CB -1.154 67.556 68.868 -0.264 0.000 0.871 208 T HN 0.187 nan 8.240 nan 0.000 0.454 209 V N 1.649 121.497 119.914 -0.109 0.000 2.358 209 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 209 V C 3.037 179.116 176.094 -0.024 0.000 1.047 209 V CA 1.765 64.030 62.300 -0.059 0.000 1.035 209 V CB -0.678 31.069 31.823 -0.127 0.000 0.658 209 V HN 0.428 nan 8.190 nan 0.000 0.452 210 R N 0.207 120.704 120.500 -0.005 0.000 2.083 210 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 210 R C 2.448 178.850 176.300 0.169 0.000 1.137 210 R CA 1.614 57.776 56.100 0.103 0.000 0.951 210 R CB -0.675 29.755 30.300 0.218 0.000 0.851 210 R HN 0.536 nan 8.270 nan 0.000 0.434 211 A N 1.117 124.086 122.820 0.248 0.000 1.908 211 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 211 A C 2.365 179.970 177.584 0.035 0.000 1.181 211 A CA 1.801 53.980 52.037 0.237 0.000 0.627 211 A CB -0.714 18.448 19.000 0.270 0.000 0.818 211 A HN 0.432 nan 8.150 nan 0.000 0.445 212 A N -0.641 122.171 122.820 -0.012 0.000 1.902 212 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 212 A C 2.268 179.796 177.584 -0.093 0.000 1.181 212 A CA 1.740 53.724 52.037 -0.087 0.000 0.623 212 A CB -0.446 18.506 19.000 -0.080 0.000 0.818 212 A HN 0.545 nan 8.150 nan 0.000 0.443 213 R N -0.376 120.096 120.500 -0.046 0.000 2.062 213 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 213 R C 2.098 178.370 176.300 -0.047 0.000 1.128 213 R CA 1.422 57.496 56.100 -0.044 0.000 0.960 213 R CB -0.159 30.129 30.300 -0.020 0.000 0.855 213 R HN 0.606 nan 8.270 nan 0.000 0.432 214 E N 0.071 120.253 120.200 -0.030 0.000 2.072 214 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 214 E C 1.659 178.217 176.600 -0.069 0.000 0.985 214 E CA 1.338 57.714 56.400 -0.040 0.000 0.801 214 E CB -0.127 29.550 29.700 -0.038 0.000 0.750 214 E HN 0.388 nan 8.360 nan 0.000 0.452 215 A N 0.721 123.469 122.820 -0.120 0.000 2.218 215 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 215 A C 0.381 177.815 177.584 -0.250 0.000 1.168 215 A CA 0.238 52.134 52.037 -0.236 0.000 0.804 215 A CB -0.550 18.143 19.000 -0.510 0.000 0.834 215 A HN 0.335 nan 8.150 nan 0.000 0.482 216 N N -1.586 117.010 118.700 -0.174 0.000 2.714 216 N HA -0.146 4.594 4.740 -0.000 0.000 0.253 216 N C -0.273 175.105 175.510 -0.219 0.000 1.024 216 N CA 0.474 53.429 53.050 -0.158 0.000 0.726 216 N CB -0.848 37.575 38.487 -0.106 0.000 0.908 216 N HN 0.790 nan 8.380 nan 0.000 0.542 217 A N -0.322 122.332 122.820 -0.276 0.000 2.469 217 A HA 0.717 5.037 4.320 -0.000 0.000 0.299 217 A C -0.167 177.184 177.584 -0.389 0.000 1.098 217 A CA -0.775 51.059 52.037 -0.338 0.000 0.737 217 A CB 1.336 20.103 19.000 -0.389 0.000 1.312 217 A HN 0.022 nan 8.150 nan 0.000 0.414 218 K N -0.025 120.028 120.400 -0.578 0.000 2.120 218 K HA 0.501 4.821 4.320 -0.000 0.000 0.245 218 K C -0.450 175.844 176.600 -0.510 0.000 1.024 218 K CA -0.229 55.566 56.287 -0.819 0.000 0.906 218 K CB 1.129 32.496 32.500 -1.888 0.000 1.051 218 K HN 0.423 nan 8.250 nan 0.000 0.491 219 V N 2.358 122.038 119.914 -0.390 0.000 2.435 219 V HA 0.265 4.385 4.120 -0.000 0.000 0.290 219 V C -0.397 175.684 176.094 -0.022 0.000 1.030 219 V CA -0.953 61.246 62.300 -0.168 0.000 0.881 219 V CB 1.361 33.101 31.823 -0.138 0.000 0.983 219 V HN 0.471 nan 8.190 nan 0.000 0.445 220 L N 6.624 127.873 121.223 0.042 0.000 2.324 220 L HA 0.549 4.889 4.340 -0.000 0.000 0.274 220 L C -0.437 176.510 176.870 0.129 0.000 1.012 220 L CA -0.033 54.904 54.840 0.161 0.000 0.859 220 L CB 0.840 43.002 42.059 0.173 0.000 1.224 220 L HN 0.421 nan 8.230 nan 0.000 0.429 221 I N 4.867 125.480 120.570 0.072 0.000 2.379 221 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 221 I C 0.259 176.401 176.117 0.042 0.000 1.063 221 I CA 0.311 61.627 61.300 0.027 0.000 1.351 221 I CB 0.057 37.983 38.000 -0.124 0.000 1.410 221 I HN 0.701 nan 8.210 nan 0.000 0.505 222 H N 7.797 126.788 119.070 -0.131 0.000 2.317 222 H HA 0.292 4.848 4.556 -0.000 0.000 0.231 222 H C -2.342 172.780 175.328 -0.343 0.000 1.442 222 H CA -1.744 54.176 56.048 -0.213 0.000 1.336 222 H CB 1.103 30.765 29.762 -0.167 0.000 1.533 222 H HN 0.366 nan 8.280 nan 0.000 0.522 223 P HA -0.016 nan 4.420 nan 0.000 0.275 223 P C 0.080 177.129 177.300 -0.420 0.000 1.228 223 P CA -0.207 62.595 63.100 -0.496 0.000 0.786 223 P CB 2.236 33.503 31.700 -0.721 0.000 0.927 224 V N 3.664 123.367 119.914 -0.351 0.000 2.508 224 V HA 0.027 4.147 4.120 -0.000 0.000 0.281 224 V C 1.567 177.535 176.094 -0.210 0.000 1.041 224 V CA 0.214 62.331 62.300 -0.306 0.000 1.016 224 V CB 0.938 32.613 31.823 -0.248 0.000 0.984 224 V HN 0.523 nan 8.190 nan 0.000 0.478 225 V N 1.912 121.664 119.914 -0.270 0.000 3.380 225 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 225 V C 0.884 176.747 176.094 -0.384 0.000 1.434 225 V CA 0.615 62.707 62.300 -0.347 0.000 1.075 225 V CB -0.092 31.461 31.823 -0.451 0.000 0.954 225 V HN 0.742 nan 8.190 nan 0.000 0.444 226 G N 0.600 109.272 108.800 -0.214 0.000 2.630 226 G HA2 0.543 4.503 3.960 -0.000 0.000 0.223 226 G HA3 0.543 4.503 3.960 -0.000 0.000 0.223 226 G C -0.616 174.270 174.900 -0.022 0.000 1.434 226 G CA -0.839 44.197 45.100 -0.107 0.000 1.057 226 G HN 0.162 nan 8.290 nan 0.000 0.570 227 L N 0.949 122.186 121.223 0.024 0.000 2.416 227 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 227 L C 1.340 178.227 176.870 0.028 0.000 1.161 227 L CA 0.227 55.094 54.840 0.045 0.000 0.845 227 L CB 0.943 43.029 42.059 0.045 0.000 1.119 227 L HN 0.856 nan 8.230 nan 0.000 0.464 228 T N -0.294 114.280 114.554 0.032 0.000 2.555 228 T HA 0.413 4.763 4.350 -0.000 0.000 0.234 228 T C 0.002 174.714 174.700 0.019 0.000 0.837 228 T CA -0.825 61.286 62.100 0.018 0.000 1.163 228 T CB 0.486 69.358 68.868 0.006 0.000 1.556 228 T HN 0.339 nan 8.240 nan 0.000 0.520 229 K N 2.079 122.485 120.400 0.010 0.000 2.270 229 K HA 0.399 4.719 4.320 -0.000 0.000 0.276 229 K C -2.591 174.025 176.600 0.026 0.000 1.023 229 K CA -1.974 54.317 56.287 0.006 0.000 0.955 229 K CB 0.280 32.776 32.500 -0.007 0.000 0.975 229 K HN 0.241 nan 8.250 nan 0.000 0.471 230 P HA 0.064 nan 4.420 nan 0.000 0.267 230 P C -0.039 177.286 177.300 0.042 0.000 1.209 230 P CA 0.536 63.664 63.100 0.048 0.000 0.763 230 P CB 0.851 32.586 31.700 0.058 0.000 0.816 231 G N 1.801 110.625 108.800 0.040 0.000 2.176 231 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.232 231 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.232 231 G C 0.064 174.984 174.900 0.033 0.000 0.986 231 G CA -0.436 44.687 45.100 0.037 0.000 0.643 231 G HN 0.459 nan 8.290 nan 0.000 0.522 232 D N 0.466 120.885 120.400 0.030 0.000 2.371 232 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 232 D C 1.342 177.653 176.300 0.017 0.000 1.218 232 D CA -0.300 53.716 54.000 0.026 0.000 0.945 232 D CB 0.505 41.318 40.800 0.022 0.000 1.137 232 D HN 0.081 nan 8.370 nan 0.000 0.464 233 I N 1.990 122.567 120.570 0.010 0.000 2.618 233 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 233 I C 1.105 177.209 176.117 -0.022 0.000 1.146 233 I CA -0.267 61.029 61.300 -0.007 0.000 1.425 233 I CB -0.405 37.583 38.000 -0.019 0.000 1.383 233 I HN 0.386 nan 8.210 nan 0.000 0.562 234 D N 6.719 127.099 120.400 -0.034 0.000 2.474 234 D HA -0.157 4.483 4.640 -0.000 0.000 0.232 234 D C 1.282 177.515 176.300 -0.112 0.000 1.177 234 D CA 0.105 54.056 54.000 -0.082 0.000 0.876 234 D CB 0.555 41.314 40.800 -0.068 0.000 1.208 234 D HN 0.721 nan 8.370 nan 0.000 0.464 235 H N 1.244 120.251 119.070 -0.105 0.000 2.457 235 H HA -0.117 4.439 4.556 -0.000 0.000 0.294 235 H C 1.012 176.217 175.328 -0.206 0.000 1.064 235 H CA 1.203 57.141 56.048 -0.183 0.000 1.330 235 H CB -0.547 29.088 29.762 -0.213 0.000 1.395 235 H HN 0.581 nan 8.280 nan 0.000 0.541 236 H N 1.047 120.112 119.070 -0.009 0.000 2.326 236 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 236 H C 2.233 177.583 175.328 0.037 0.000 1.081 236 H CA 2.130 58.273 56.048 0.159 0.000 1.334 236 H CB -0.065 29.727 29.762 0.051 0.000 1.385 236 H HN 0.285 nan 8.280 nan 0.000 0.504 237 T N 0.582 115.166 114.554 0.051 0.000 2.708 237 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 237 T C 1.958 176.558 174.700 -0.166 0.000 1.037 237 T CA 1.194 63.273 62.100 -0.035 0.000 1.146 237 T CB -0.098 68.746 68.868 -0.041 0.000 0.865 237 T HN 0.319 nan 8.240 nan 0.000 0.435 238 R N 0.356 120.708 120.500 -0.246 0.000 2.096 238 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 238 R C 2.478 178.248 176.300 -0.885 0.000 1.127 238 R CA 0.898 56.645 56.100 -0.588 0.000 0.968 238 R CB -0.679 29.362 30.300 -0.433 0.000 0.861 238 R HN 0.246 nan 8.270 nan 0.000 0.440 239 V N 0.893 120.569 119.914 -0.396 0.000 2.343 239 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 239 V C 2.362 178.328 176.094 -0.213 0.000 1.051 239 V CA 1.691 63.823 62.300 -0.279 0.000 1.036 239 V CB -0.459 31.104 31.823 -0.434 0.000 0.654 239 V HN 0.304 nan 8.190 nan 0.000 0.451 240 R N -0.579 119.836 120.500 -0.142 0.000 2.081 240 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 240 R C 2.267 178.487 176.300 -0.133 0.000 1.131 240 R CA 1.448 57.501 56.100 -0.078 0.000 0.960 240 R CB -0.536 29.747 30.300 -0.028 0.000 0.856 240 R HN 0.399 nan 8.270 nan 0.000 0.436 241 V N 0.302 120.068 119.914 -0.247 0.000 2.287 241 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 241 V C 1.918 177.910 176.094 -0.170 0.000 1.053 241 V CA 1.825 63.977 62.300 -0.246 0.000 1.027 241 V CB -0.608 30.994 31.823 -0.368 0.000 0.646 241 V HN 0.358 nan 8.190 nan 0.000 0.447 242 Y N 0.014 120.261 120.300 -0.088 0.000 2.181 242 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 242 Y C 2.773 178.611 175.900 -0.103 0.000 1.146 242 Y CA 1.377 59.419 58.100 -0.097 0.000 1.164 242 Y CB -0.335 38.053 38.460 -0.121 0.000 0.982 242 Y HN 0.255 nan 8.280 nan 0.000 0.515 243 Q N -0.095 119.721 119.800 0.027 0.000 2.170 243 Q HA -0.231 4.109 4.340 -0.000 0.000 0.203 243 Q C 1.938 177.918 176.000 -0.033 0.000 0.976 243 Q CA 1.582 57.371 55.803 -0.023 0.000 0.858 243 Q CB -0.056 28.662 28.738 -0.034 0.000 0.907 243 Q HN 0.381 nan 8.270 nan 0.000 0.433 244 E N 0.894 121.072 120.200 -0.038 0.000 2.076 244 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 244 E C 1.571 178.117 176.600 -0.090 0.000 0.979 244 E CA 0.565 56.931 56.400 -0.056 0.000 0.807 244 E CB -0.069 29.599 29.700 -0.053 0.000 0.761 244 E HN 0.297 nan 8.360 nan 0.000 0.454 245 I N 0.080 120.606 120.570 -0.075 0.000 2.493 245 I HA -0.147 4.023 4.170 -0.000 0.000 0.254 245 I C 2.026 178.164 176.117 0.035 0.000 1.160 245 I CA 0.427 61.660 61.300 -0.111 0.000 1.445 245 I CB 0.062 38.056 38.000 -0.010 0.000 1.086 245 I HN 0.192 nan 8.210 nan 0.000 0.433 246 I N 0.891 121.475 120.570 0.022 0.000 2.361 246 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 246 I C 2.055 178.208 176.117 0.060 0.000 1.133 246 I CA 1.464 62.753 61.300 -0.019 0.000 1.413 246 I CB -0.232 37.700 38.000 -0.113 0.000 1.073 246 I HN 0.037 nan 8.210 nan 0.000 0.424 247 K N 0.541 120.942 120.400 0.002 0.000 2.439 247 K HA -0.005 4.315 4.320 -0.000 0.000 0.197 247 K C 1.402 177.995 176.600 -0.012 0.000 1.041 247 K CA 0.560 56.842 56.287 -0.007 0.000 0.970 247 K CB -0.253 32.224 32.500 -0.039 0.000 0.773 247 K HN 0.294 nan 8.250 nan 0.000 0.479 248 R N 0.100 120.568 120.500 -0.053 0.000 2.356 248 R HA 0.124 4.464 4.340 -0.000 0.000 0.234 248 R C 0.046 176.288 176.300 -0.097 0.000 0.929 248 R CA -0.068 55.935 56.100 -0.161 0.000 1.084 248 R CB -0.545 29.421 30.300 -0.557 0.000 1.105 248 R HN 0.127 nan 8.270 nan 0.000 0.515 249 Y N 1.385 121.631 120.300 -0.089 0.000 2.419 249 Y HA 0.351 4.901 4.550 -0.000 0.000 0.328 249 Y C -1.639 174.243 175.900 -0.031 0.000 1.162 249 Y CA -2.960 55.107 58.100 -0.056 0.000 1.174 249 Y CB 0.513 38.940 38.460 -0.056 0.000 1.228 249 Y HN -0.074 nan 8.280 nan 0.000 0.473 250 P HA -0.006 nan 4.420 nan 0.000 0.265 250 P C -1.057 176.298 177.300 0.091 0.000 1.193 250 P CA -0.114 63.030 63.100 0.073 0.000 0.765 250 P CB 0.445 32.172 31.700 0.043 0.000 0.823 251 N N 1.549 120.291 118.700 0.071 0.000 2.294 251 N HA 0.235 4.975 4.740 -0.000 0.000 0.263 251 N C 1.556 177.125 175.510 0.098 0.000 1.281 251 N CA 1.643 54.739 53.050 0.076 0.000 0.846 251 N CB -0.504 38.018 38.487 0.058 0.000 1.061 251 N HN 0.778 nan 8.380 nan 0.000 0.478 252 G N 1.227 110.107 108.800 0.133 0.000 2.159 252 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.256 252 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.256 252 G C 0.579 175.624 174.900 0.242 0.000 0.977 252 G CA 0.205 45.434 45.100 0.215 0.000 0.652 252 G HN 0.616 nan 8.290 nan 0.000 0.531 253 I N 0.114 120.761 120.570 0.128 0.000 3.462 253 I HA 0.567 4.737 4.170 -0.000 0.000 0.290 253 I C 1.312 177.389 176.117 -0.066 0.000 1.236 253 I CA 0.979 62.269 61.300 -0.017 0.000 1.418 253 I CB 0.137 38.139 38.000 0.005 0.000 1.102 253 I HN 0.415 nan 8.210 nan 0.000 0.441 254 A N -0.049 122.816 122.820 0.074 0.000 2.380 254 A HA 0.598 4.918 4.320 -0.000 0.000 0.315 254 A C -1.545 176.215 177.584 0.292 0.000 1.101 254 A CA -0.362 51.695 52.037 0.034 0.000 0.771 254 A CB 1.207 19.957 19.000 -0.415 0.000 1.287 254 A HN 0.160 nan 8.150 nan 0.000 0.436 255 F N 1.042 121.095 119.950 0.171 0.000 2.556 255 F HA 0.653 5.180 4.527 -0.000 0.000 0.314 255 F C -1.193 174.632 175.800 0.042 0.000 1.106 255 F CA -0.936 57.160 58.000 0.161 0.000 0.911 255 F CB 1.885 41.074 39.000 0.314 0.000 1.190 255 F HN 0.527 nan 8.300 nan 0.000 0.448 256 L N 4.760 125.736 121.223 -0.412 0.000 2.296 256 L HA 0.696 5.036 4.340 -0.000 0.000 0.286 256 L C -0.946 175.856 176.870 -0.113 0.000 1.023 256 L CA 0.053 54.767 54.840 -0.209 0.000 0.812 256 L CB 1.400 43.303 42.059 -0.260 0.000 1.223 256 L HN 0.538 nan 8.230 nan 0.000 0.421 257 S N 5.007 120.772 115.700 0.108 0.000 2.572 257 S HA 0.652 5.122 4.470 -0.000 0.000 0.274 257 S C -0.996 173.658 174.600 0.090 0.000 1.150 257 S CA -0.699 57.605 58.200 0.174 0.000 0.944 257 S CB 0.711 64.091 63.200 0.299 0.000 1.071 257 S HN 0.586 nan 8.310 nan 0.000 0.479 258 L N 3.847 125.038 121.223 -0.053 0.000 2.350 258 L HA 0.575 4.915 4.340 -0.000 0.000 0.275 258 L C -0.505 176.189 176.870 -0.294 0.000 1.099 258 L CA -0.858 53.863 54.840 -0.200 0.000 0.808 258 L CB 0.892 42.813 42.059 -0.231 0.000 1.149 258 L HN 0.502 nan 8.230 nan 0.000 0.442 259 L N 6.081 127.007 121.223 -0.496 0.000 2.316 259 L HA 0.470 4.810 4.340 -0.000 0.000 0.280 259 L C -2.143 174.485 176.870 -0.403 0.000 1.006 259 L CA -1.629 52.850 54.840 -0.602 0.000 0.836 259 L CB 1.459 42.880 42.059 -1.064 0.000 1.221 259 L HN 0.252 nan 8.230 nan 0.000 0.418 260 P HA 0.049 nan 4.420 nan 0.000 0.246 260 P C -0.259 176.946 177.300 -0.157 0.000 1.686 260 P CA -0.192 62.776 63.100 -0.221 0.000 0.867 260 P CB 0.012 31.613 31.700 -0.166 0.000 1.733 261 L N 0.647 121.748 121.223 -0.202 0.000 2.418 261 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 261 L C -0.035 176.818 176.870 -0.027 0.000 1.143 261 L CA -0.402 54.361 54.840 -0.128 0.000 0.809 261 L CB 0.839 42.753 42.059 -0.241 0.000 1.124 261 L HN 0.038 nan 8.230 nan 0.000 0.456 262 A N 6.275 129.161 122.820 0.111 0.000 2.277 262 A HA 0.568 4.888 4.320 -0.000 0.000 0.318 262 A C -0.167 177.559 177.584 0.237 0.000 1.339 262 A CA -0.657 51.461 52.037 0.134 0.000 0.875 262 A CB -0.032 19.059 19.000 0.152 0.000 1.158 262 A HN 0.810 nan 8.150 nan 0.000 0.514 263 M N 0.985 120.684 119.600 0.164 0.000 2.198 263 M HA 0.281 4.761 4.480 -0.000 0.000 0.315 263 M C 1.059 177.472 176.300 0.188 0.000 1.134 263 M CA 0.096 55.551 55.300 0.259 0.000 1.171 263 M CB 0.623 33.318 32.600 0.158 0.000 1.413 263 M HN 0.660 nan 8.290 nan 0.000 0.467 264 R N 0.505 121.133 120.500 0.213 0.000 2.476 264 R HA 0.307 4.647 4.340 -0.000 0.000 0.276 264 R C -0.449 175.879 176.300 0.047 0.000 0.941 264 R CA 0.147 56.267 56.100 0.033 0.000 1.088 264 R CB 0.363 30.672 30.300 0.014 0.000 1.216 264 R HN 0.678 nan 8.270 nan 0.000 0.533 265 M N 0.027 119.670 119.600 0.073 0.000 2.302 265 M HA -0.198 4.282 4.480 -0.000 0.000 0.200 265 M C 0.093 176.456 176.300 0.104 0.000 0.366 265 M CA 0.728 56.031 55.300 0.004 0.000 0.440 265 M CB -2.794 29.727 32.600 -0.132 0.000 1.475 265 M HN 0.051 nan 8.290 nan 0.000 0.905 266 S N -0.225 115.581 115.700 0.177 0.000 2.738 266 S HA 0.487 4.957 4.470 -0.000 0.000 0.227 266 S C 1.657 176.178 174.600 -0.132 0.000 1.311 266 S CA 0.598 58.988 58.200 0.316 0.000 1.249 266 S CB -0.299 63.157 63.200 0.425 0.000 1.030 266 S HN 0.895 nan 8.310 nan 0.000 0.512 267 G N 3.474 111.904 108.800 -0.616 0.000 2.990 267 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.359 267 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.359 267 G C 0.926 175.567 174.900 -0.431 0.000 0.951 267 G CA 1.502 46.039 45.100 -0.938 0.000 0.794 267 G HN 0.713 nan 8.290 nan 0.000 0.982 268 D N 0.296 120.457 120.400 -0.398 0.000 2.123 268 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 268 D C 2.340 178.633 176.300 -0.013 0.000 0.992 268 D CA 1.794 55.751 54.000 -0.073 0.000 0.833 268 D CB -0.676 40.157 40.800 0.055 0.000 0.954 268 D HN 0.591 nan 8.370 nan 0.000 0.455 269 R N 0.093 120.598 120.500 0.008 0.000 2.092 269 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 269 R C 2.391 178.675 176.300 -0.027 0.000 1.119 269 R CA 1.353 57.456 56.100 0.005 0.000 0.970 269 R CB -0.239 30.055 30.300 -0.009 0.000 0.864 269 R HN 0.385 nan 8.270 nan 0.000 0.440 270 E N 0.729 120.915 120.200 -0.024 0.000 2.106 270 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 270 E C 1.844 178.350 176.600 -0.156 0.000 0.984 270 E CA 1.124 57.526 56.400 0.005 0.000 0.806 270 E CB -0.002 29.682 29.700 -0.026 0.000 0.750 270 E HN 0.318 nan 8.360 nan 0.000 0.458 271 A N 0.333 123.097 122.820 -0.093 0.000 1.883 271 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 271 A C 2.415 179.993 177.584 -0.010 0.000 1.186 271 A CA 1.734 53.721 52.037 -0.084 0.000 0.624 271 A CB -0.822 18.102 19.000 -0.126 0.000 0.822 271 A HN 0.226 nan 8.150 nan 0.000 0.444 272 V N -2.075 117.843 119.914 0.006 0.000 2.295 272 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 272 V C 2.213 178.263 176.094 -0.072 0.000 1.049 272 V CA 1.888 64.191 62.300 0.004 0.000 1.024 272 V CB -1.096 30.754 31.823 0.044 0.000 0.648 272 V HN 0.859 nan 8.190 nan 0.000 0.447 273 W N 1.037 122.137 121.300 -0.333 0.000 2.318 273 W HA -0.208 4.452 4.660 -0.000 0.000 0.313 273 W C 2.547 178.909 176.519 -0.263 0.000 1.221 273 W CA 2.055 59.126 57.345 -0.458 0.000 1.266 273 W CB -0.854 28.328 29.460 -0.463 0.000 1.150 273 W HN 0.413 nan 8.180 nan 0.000 0.496 274 H N -1.051 117.877 119.070 -0.236 0.000 2.387 274 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 274 H C 2.298 177.163 175.328 -0.772 0.000 1.090 274 H CA 1.137 56.904 56.048 -0.467 0.000 1.332 274 H CB -0.308 29.387 29.762 -0.112 0.000 1.386 274 H HN 0.197 nan 8.280 nan 0.000 0.516 275 A N 1.089 123.616 122.820 -0.489 0.000 1.877 275 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 275 A C 2.380 179.749 177.584 -0.358 0.000 1.186 275 A CA 1.310 53.038 52.037 -0.516 0.000 0.620 275 A CB -0.692 18.221 19.000 -0.145 0.000 0.822 275 A HN 0.297 nan 8.150 nan 0.000 0.443 276 I N -0.329 120.047 120.570 -0.323 0.000 2.208 276 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 276 I C 2.321 178.330 176.117 -0.180 0.000 1.097 276 I CA 1.413 62.508 61.300 -0.342 0.000 1.363 276 I CB -0.279 37.398 38.000 -0.539 0.000 1.051 276 I HN 0.331 nan 8.210 nan 0.000 0.413 277 I N 0.041 120.485 120.570 -0.210 0.000 2.179 277 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 277 I C 2.619 178.769 176.117 0.055 0.000 1.088 277 I CA 1.269 62.542 61.300 -0.046 0.000 1.357 277 I CB -0.292 37.603 38.000 -0.174 0.000 1.051 277 I HN 0.100 nan 8.210 nan 0.000 0.409 278 R N 0.832 121.245 120.500 -0.146 0.000 2.120 278 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 278 R C 2.183 178.505 176.300 0.037 0.000 1.123 278 R CA 1.005 57.069 56.100 -0.060 0.000 0.975 278 R CB -0.425 29.715 30.300 -0.266 0.000 0.866 278 R HN 0.251 nan 8.270 nan 0.000 0.446 279 K N 0.439 120.827 120.400 -0.020 0.000 2.026 279 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 279 K C 1.294 177.936 176.600 0.070 0.000 1.048 279 K CA 1.465 57.771 56.287 0.031 0.000 0.929 279 K CB -0.071 32.436 32.500 0.012 0.000 0.713 279 K HN 0.123 nan 8.250 nan 0.000 0.439 280 N N 0.261 119.003 118.700 0.070 0.000 2.205 280 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 280 N C 1.342 176.830 175.510 -0.036 0.000 1.015 280 N CA 1.195 54.263 53.050 0.030 0.000 0.862 280 N CB -0.337 38.168 38.487 0.031 0.000 0.986 280 N HN 0.297 nan 8.380 nan 0.000 0.429 281 Y N -0.267 120.025 120.300 -0.013 0.000 2.529 281 Y HA 0.175 4.725 4.550 -0.000 0.000 0.290 281 Y C 1.691 177.576 175.900 -0.025 0.000 1.177 281 Y CA 0.459 58.528 58.100 -0.051 0.000 1.305 281 Y CB 0.083 38.497 38.460 -0.077 0.000 1.047 281 Y HN 0.171 nan 8.280 nan 0.000 0.522 282 G N -0.615 108.286 108.800 0.169 0.000 2.179 282 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 282 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 282 G C 0.272 175.366 174.900 0.323 0.000 0.990 282 G CA -0.204 45.041 45.100 0.243 0.000 0.646 282 G HN 0.556 nan 8.290 nan 0.000 0.517 283 A N 0.468 123.434 122.820 0.243 0.000 2.371 283 A HA 0.758 5.078 4.320 -0.000 0.000 0.257 283 A C 1.492 179.151 177.584 0.125 0.000 1.089 283 A CA 1.072 53.208 52.037 0.166 0.000 0.794 283 A CB 0.704 19.797 19.000 0.155 0.000 1.029 283 A HN 1.533 nan 8.150 nan 0.000 0.488 284 S N 0.696 116.477 115.700 0.136 0.000 2.503 284 S HA 0.214 4.684 4.470 -0.000 0.000 0.215 284 S C 0.287 174.898 174.600 0.018 0.000 1.003 284 S CA 0.351 58.617 58.200 0.111 0.000 0.910 284 S CB -0.211 63.098 63.200 0.181 0.000 0.790 284 S HN 0.789 nan 8.310 nan 0.000 0.514 285 H N -0.444 118.670 119.070 0.073 0.000 2.851 285 H HA 0.693 5.249 4.556 -0.000 0.000 0.372 285 H C -1.909 173.558 175.328 0.232 0.000 1.158 285 H CA -0.911 55.206 56.048 0.116 0.000 1.159 285 H CB 1.425 31.227 29.762 0.067 0.000 1.757 285 H HN 0.215 nan 8.280 nan 0.000 0.546 286 F N 2.340 122.387 119.950 0.161 0.000 2.557 286 F HA 0.491 5.018 4.527 -0.000 0.000 0.316 286 F C -1.189 174.712 175.800 0.169 0.000 1.141 286 F CA -0.936 57.146 58.000 0.138 0.000 0.922 286 F CB 0.854 39.902 39.000 0.079 0.000 1.194 286 F HN 0.467 nan 8.300 nan 0.000 0.443 287 I N 6.081 126.462 120.570 -0.315 0.000 2.529 287 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 287 I C -0.692 175.143 176.117 -0.470 0.000 1.082 287 I CA -0.463 60.741 61.300 -0.160 0.000 1.406 287 I CB 1.084 39.164 38.000 0.133 0.000 1.405 287 I HN 0.285 nan 8.210 nan 0.000 0.548 288 V N 6.169 126.023 119.914 -0.101 0.000 2.462 288 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 288 V C 0.520 176.739 176.094 0.209 0.000 1.020 288 V CA -0.428 61.837 62.300 -0.059 0.000 0.857 288 V CB 1.150 32.889 31.823 -0.140 0.000 1.013 288 V HN 0.959 nan 8.190 nan 0.000 0.431 289 G N 3.561 112.548 108.800 0.312 0.000 2.695 289 G HA2 0.405 4.365 3.960 -0.000 0.000 0.213 289 G HA3 0.405 4.365 3.960 -0.000 0.000 0.213 289 G C -0.153 174.940 174.900 0.321 0.000 1.406 289 G CA -0.727 44.578 45.100 0.343 0.000 1.049 289 G HN 0.574 nan 8.290 nan 0.000 0.573 290 R N 0.035 120.701 120.500 0.277 0.000 2.491 290 R HA 0.151 4.491 4.340 -0.000 0.000 0.283 290 R C -0.165 176.156 176.300 0.035 0.000 1.072 290 R CA 0.337 56.494 56.100 0.096 0.000 1.048 290 R CB 0.192 30.531 30.300 0.064 0.000 0.983 290 R HN 0.573 nan 8.270 nan 0.000 0.450 291 D N 1.762 122.124 120.400 -0.063 0.000 2.702 291 D HA -0.273 4.367 4.640 -0.000 0.000 0.233 291 D C -0.566 175.766 176.300 0.053 0.000 1.164 291 D CA 0.807 54.812 54.000 0.008 0.000 0.638 291 D CB -1.129 39.684 40.800 0.020 0.000 1.041 291 D HN 0.522 nan 8.370 nan 0.000 0.422 292 H N 0.483 119.552 119.070 -0.002 0.000 3.167 292 H HA 0.176 4.732 4.556 -0.000 0.000 0.306 292 H C 1.339 176.635 175.328 -0.052 0.000 0.965 292 H CA 1.508 57.557 56.048 0.001 0.000 1.408 292 H CB 0.032 29.811 29.762 0.028 0.000 1.406 292 H HN 0.470 nan 8.280 nan 0.000 0.576 293 A N 3.315 125.980 122.820 -0.258 0.000 2.799 293 A HA -0.185 4.135 4.320 -0.000 0.000 0.287 293 A C 1.028 178.546 177.584 -0.110 0.000 1.484 293 A CA 1.120 53.075 52.037 -0.135 0.000 0.813 293 A CB -1.811 17.155 19.000 -0.057 0.000 1.009 293 A HN 0.968 nan 8.150 nan 0.000 0.545 294 G N -0.811 107.951 108.800 -0.064 0.000 2.377 294 G HA2 0.578 4.538 3.960 -0.000 0.000 0.299 294 G HA3 0.578 4.538 3.960 -0.000 0.000 0.299 294 G C -1.053 173.882 174.900 0.059 0.000 1.150 294 G CA -0.805 44.315 45.100 0.033 0.000 0.847 294 G HN 0.279 nan 8.290 nan 0.000 0.501 295 P HA 0.200 nan 4.420 nan 0.000 0.261 295 P C 1.158 178.601 177.300 0.240 0.000 1.352 295 P CA 0.781 63.865 63.100 -0.026 0.000 0.891 295 P CB 0.553 31.975 31.700 -0.463 0.000 1.383 296 G N 1.014 110.021 108.800 0.345 0.000 2.603 296 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.245 296 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.245 296 G C -0.868 174.206 174.900 0.290 0.000 1.195 296 G CA -0.382 44.896 45.100 0.297 0.000 0.953 296 G HN 0.351 nan 8.290 nan 0.000 0.566 297 K N 1.448 121.914 120.400 0.110 0.000 2.267 297 K HA 0.490 4.810 4.320 -0.000 0.000 0.246 297 K C 0.791 177.207 176.600 -0.307 0.000 0.954 297 K CA -0.237 55.933 56.287 -0.195 0.000 0.824 297 K CB 1.832 34.274 32.500 -0.096 0.000 1.167 297 K HN 0.861 nan 8.250 nan 0.000 0.431 298 N N -0.641 117.686 118.700 -0.622 0.000 2.383 298 N HA 0.076 4.816 4.740 -0.000 0.000 0.288 298 N C 0.392 175.831 175.510 -0.119 0.000 1.320 298 N CA -0.673 52.147 53.050 -0.382 0.000 0.941 298 N CB 0.211 38.421 38.487 -0.461 0.000 1.078 298 N HN 0.214 nan 8.380 nan 0.000 0.509 299 S N -0.208 115.458 115.700 -0.055 0.000 2.357 299 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 299 S C 1.368 175.949 174.600 -0.032 0.000 1.031 299 S CA 0.895 59.085 58.200 -0.016 0.000 0.982 299 S CB -0.256 62.948 63.200 0.007 0.000 0.853 299 S HN 0.428 nan 8.310 nan 0.000 0.458 300 K N 0.877 121.245 120.400 -0.052 0.000 2.589 300 K HA 0.141 4.461 4.320 -0.000 0.000 0.192 300 K C 1.158 177.724 176.600 -0.056 0.000 1.029 300 K CA 0.463 56.722 56.287 -0.046 0.000 1.031 300 K CB -0.233 32.239 32.500 -0.047 0.000 0.821 300 K HN 0.449 nan 8.250 nan 0.000 0.502 301 G N 1.532 110.289 108.800 -0.072 0.000 2.148 301 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 301 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 301 G C 0.132 174.977 174.900 -0.092 0.000 0.981 301 G CA 0.366 45.427 45.100 -0.067 0.000 0.670 301 G HN 0.314 nan 8.290 nan 0.000 0.528 302 V N 0.050 119.879 119.914 -0.140 0.000 2.686 302 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 302 V C 0.004 175.957 176.094 -0.235 0.000 1.057 302 V CA -0.806 61.404 62.300 -0.149 0.000 1.012 302 V CB 1.311 33.055 31.823 -0.132 0.000 1.006 302 V HN 0.172 nan 8.190 nan 0.000 0.477 303 D N 4.189 124.500 120.400 -0.148 0.000 2.389 303 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 303 D C 0.564 176.780 176.300 -0.139 0.000 1.128 303 D CA 0.379 54.314 54.000 -0.108 0.000 0.884 303 D CB 1.091 41.891 40.800 0.001 0.000 1.194 303 D HN 0.606 nan 8.370 nan 0.000 0.441 304 F N 0.649 120.587 119.950 -0.020 0.000 2.259 304 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 304 F C 0.518 176.052 175.800 -0.444 0.000 1.088 304 F CA 0.915 58.818 58.000 -0.162 0.000 1.358 304 F CB 0.142 39.096 39.000 -0.076 0.000 1.040 304 F HN 0.319 nan 8.300 nan 0.000 0.505 305 Y N -1.396 119.048 120.300 0.239 0.000 2.615 305 Y HA 0.544 5.094 4.550 -0.000 0.000 0.341 305 Y C 0.515 176.468 175.900 0.089 0.000 1.089 305 Y CA -1.846 56.349 58.100 0.158 0.000 1.049 305 Y CB 0.683 39.235 38.460 0.154 0.000 1.296 305 Y HN -0.244 nan 8.280 nan 0.000 0.470 306 G N 1.576 110.513 108.800 0.229 0.000 2.467 306 G HA2 0.305 4.265 3.960 -0.000 0.000 0.257 306 G HA3 0.305 4.265 3.960 -0.000 0.000 0.257 306 G C -1.696 173.243 174.900 0.064 0.000 1.227 306 G CA -1.323 43.851 45.100 0.124 0.000 0.835 306 G HN 0.460 nan 8.290 nan 0.000 0.556 307 P HA -0.160 nan 4.420 nan 0.000 0.222 307 P C -0.100 176.822 177.300 -0.631 0.000 1.142 307 P CA 1.434 64.301 63.100 -0.387 0.000 0.788 307 P CB 0.053 31.402 31.700 -0.584 0.000 0.767 308 Y N -1.610 118.760 120.300 0.118 0.000 2.738 308 Y HA 0.174 4.724 4.550 -0.000 0.000 0.249 308 Y C 1.519 177.471 175.900 0.086 0.000 1.153 308 Y CA -0.578 57.580 58.100 0.097 0.000 1.165 308 Y CB 0.115 38.622 38.460 0.077 0.000 1.235 308 Y HN -0.192 nan 8.280 nan 0.000 0.559 309 D N 1.132 121.641 120.400 0.181 0.000 2.097 309 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 309 D C 2.260 178.629 176.300 0.116 0.000 0.989 309 D CA 1.536 55.631 54.000 0.159 0.000 0.827 309 D CB -0.135 40.791 40.800 0.211 0.000 0.966 309 D HN 0.369 nan 8.370 nan 0.000 0.456 310 A N 0.703 123.579 122.820 0.094 0.000 1.908 310 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 310 A C 2.124 179.741 177.584 0.055 0.000 1.181 310 A CA 1.738 53.804 52.037 0.049 0.000 0.627 310 A CB -0.721 18.305 19.000 0.044 0.000 0.818 310 A HN 0.237 nan 8.150 nan 0.000 0.445 311 Q N -0.789 119.076 119.800 0.107 0.000 2.124 311 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 311 Q C 2.042 178.074 176.000 0.053 0.000 0.977 311 Q CA 1.664 57.522 55.803 0.091 0.000 0.850 311 Q CB -0.139 28.690 28.738 0.152 0.000 0.901 311 Q HN 0.799 nan 8.270 nan 0.000 0.429 312 E N 0.466 120.705 120.200 0.064 0.000 2.047 312 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 312 E C 2.058 178.637 176.600 -0.034 0.000 0.987 312 E CA 0.588 57.001 56.400 0.021 0.000 0.799 312 E CB -0.063 29.663 29.700 0.043 0.000 0.752 312 E HN 0.287 nan 8.360 nan 0.000 0.449 313 L N 0.918 122.123 121.223 -0.030 0.000 2.012 313 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 313 L C 2.457 179.257 176.870 -0.116 0.000 1.073 313 L CA 1.203 55.977 54.840 -0.109 0.000 0.748 313 L CB -0.243 41.809 42.059 -0.011 0.000 0.891 313 L HN 0.090 nan 8.230 nan 0.000 0.431 314 V N 0.096 120.015 119.914 0.009 0.000 2.392 314 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 314 V C 2.500 178.611 176.094 0.029 0.000 1.059 314 V CA 2.022 64.362 62.300 0.067 0.000 1.051 314 V CB -0.399 31.458 31.823 0.057 0.000 0.658 314 V HN 0.506 nan 8.190 nan 0.000 0.455 315 E N 1.062 121.252 120.200 -0.016 0.000 2.077 315 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 315 E C 2.276 178.844 176.600 -0.054 0.000 0.989 315 E CA 1.757 58.137 56.400 -0.034 0.000 0.800 315 E CB -0.464 29.217 29.700 -0.032 0.000 0.746 315 E HN 0.686 nan 8.360 nan 0.000 0.452 316 S N -1.313 114.312 115.700 -0.124 0.000 2.507 316 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 316 S C 1.387 175.899 174.600 -0.147 0.000 0.988 316 S CA 0.626 58.716 58.200 -0.183 0.000 0.944 316 S CB -0.505 62.497 63.200 -0.330 0.000 0.762 316 S HN 0.478 nan 8.310 nan 0.000 0.526 317 Y N 0.772 121.086 120.300 0.024 0.000 2.531 317 Y HA 0.378 4.928 4.550 -0.000 0.000 0.249 317 Y C 1.972 177.878 175.900 0.010 0.000 1.168 317 Y CA -0.571 57.549 58.100 0.034 0.000 1.226 317 Y CB 0.228 38.705 38.460 0.028 0.000 1.177 317 Y HN 0.207 nan 8.280 nan 0.000 0.527 318 K N 0.847 121.291 120.400 0.074 0.000 2.049 318 K HA -0.308 4.012 4.320 -0.000 0.000 0.219 318 K C 0.969 177.493 176.600 -0.127 0.000 1.056 318 K CA 2.567 58.801 56.287 -0.089 0.000 0.946 318 K CB -0.276 32.067 32.500 -0.262 0.000 0.723 318 K HN 0.477 nan 8.250 nan 0.000 0.453 319 H N -0.564 118.554 119.070 0.080 0.000 2.545 319 H HA 0.010 4.566 4.556 -0.000 0.000 0.282 319 H C 1.581 176.953 175.328 0.074 0.000 1.020 319 H CA 1.185 57.272 56.048 0.064 0.000 1.243 319 H CB 0.277 30.071 29.762 0.053 0.000 1.377 319 H HN 0.450 nan 8.280 nan 0.000 0.581 320 E N -0.021 120.287 120.200 0.180 0.000 2.201 320 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 320 E C 1.735 178.418 176.600 0.139 0.000 0.957 320 E CA -0.012 56.477 56.400 0.147 0.000 0.858 320 E CB 0.276 30.058 29.700 0.136 0.000 0.816 320 E HN 0.368 nan 8.360 nan 0.000 0.475 321 L N 0.827 122.118 121.223 0.114 0.000 2.042 321 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 321 L C 0.984 177.903 176.870 0.083 0.000 1.076 321 L CA 1.213 56.103 54.840 0.084 0.000 0.749 321 L CB -0.306 41.782 42.059 0.048 0.000 0.893 321 L HN 0.223 nan 8.230 nan 0.000 0.432 322 D N -0.731 119.704 120.400 0.059 0.000 2.945 322 D HA -0.236 4.404 4.640 -0.000 0.000 0.225 322 D C -0.250 176.058 176.300 0.013 0.000 1.158 322 D CA 0.677 54.703 54.000 0.043 0.000 0.805 322 D CB -0.829 40.015 40.800 0.073 0.000 1.098 322 D HN 0.343 nan 8.370 nan 0.000 0.426 323 I N -0.008 120.556 120.570 -0.010 0.000 2.607 323 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 323 I C -0.561 175.517 176.117 -0.065 0.000 1.129 323 I CA -0.986 60.292 61.300 -0.036 0.000 1.042 323 I CB 1.579 39.577 38.000 -0.004 0.000 1.242 323 I HN -0.052 nan 8.210 nan 0.000 0.421 324 E N 6.023 126.108 120.200 -0.192 0.000 2.217 324 E HA 0.282 4.632 4.350 -0.000 0.000 0.279 324 E C -1.278 175.305 176.600 -0.029 0.000 1.068 324 E CA -0.324 55.953 56.400 -0.205 0.000 0.882 324 E CB 1.031 30.434 29.700 -0.494 0.000 1.039 324 E HN 0.462 nan 8.360 nan 0.000 0.418 325 V N 5.536 125.468 119.914 0.030 0.000 2.530 325 V HA 0.129 4.249 4.120 -0.000 0.000 0.282 325 V C -0.198 175.936 176.094 0.066 0.000 1.048 325 V CA -0.525 61.828 62.300 0.090 0.000 0.997 325 V CB 1.502 33.367 31.823 0.069 0.000 0.987 325 V HN 0.515 nan 8.190 nan 0.000 0.477 326 V N 8.682 128.650 119.914 0.090 0.000 2.293 326 V HA 0.341 4.461 4.120 -0.000 0.000 0.275 326 V C -1.999 174.094 176.094 -0.002 0.000 1.021 326 V CA -1.440 60.881 62.300 0.035 0.000 0.815 326 V CB 1.567 33.459 31.823 0.115 0.000 1.025 326 V HN 0.764 nan 8.190 nan 0.000 0.448 327 P HA 0.498 nan 4.420 nan 0.000 0.281 327 P C -1.233 175.926 177.300 -0.237 0.000 1.249 327 P CA -0.410 62.658 63.100 -0.053 0.000 0.810 327 P CB 1.428 33.098 31.700 -0.051 0.000 1.008 328 F N 0.710 120.701 119.950 0.068 0.000 2.569 328 F HA 0.453 4.980 4.527 -0.000 0.000 0.312 328 F C 0.921 176.794 175.800 0.121 0.000 1.109 328 F CA -0.823 57.224 58.000 0.078 0.000 0.919 328 F CB 2.186 41.246 39.000 0.099 0.000 1.211 328 F HN 0.141 nan 8.300 nan 0.000 0.446 329 R N 1.350 121.997 120.500 0.246 0.000 2.541 329 R HA 0.519 4.859 4.340 -0.000 0.000 0.263 329 R C -0.412 176.086 176.300 0.330 0.000 1.112 329 R CA -0.954 55.265 56.100 0.198 0.000 1.170 329 R CB 0.473 30.787 30.300 0.024 0.000 1.167 329 R HN 0.642 nan 8.270 nan 0.000 0.582 330 M N 1.437 121.254 119.600 0.362 0.000 2.394 330 M HA -0.002 4.478 4.480 -0.000 0.000 0.394 330 M C -1.237 175.198 176.300 0.224 0.000 1.611 330 M CA 0.712 56.182 55.300 0.284 0.000 0.941 330 M CB -0.010 32.744 32.600 0.258 0.000 2.094 330 M HN 0.177 nan 8.290 nan 0.000 0.485 331 V N 6.457 126.493 119.914 0.202 0.000 2.406 331 V HA 0.461 4.581 4.120 -0.000 0.000 0.272 331 V C 0.453 176.693 176.094 0.243 0.000 1.043 331 V CA -0.286 62.126 62.300 0.187 0.000 0.915 331 V CB 0.894 32.768 31.823 0.085 0.000 0.988 331 V HN 0.945 nan 8.190 nan 0.000 0.466 332 T N 3.791 118.493 114.554 0.247 0.000 2.888 332 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 332 T C -1.445 173.293 174.700 0.063 0.000 1.063 332 T CA -0.418 61.822 62.100 0.232 0.000 1.010 332 T CB 1.398 70.340 68.868 0.124 0.000 1.214 332 T HN 0.487 nan 8.240 nan 0.000 0.533 333 Y N 2.173 122.286 120.300 -0.311 0.000 2.308 333 Y HA 0.616 5.166 4.550 -0.000 0.000 0.329 333 Y C -0.801 174.808 175.900 -0.485 0.000 1.111 333 Y CA -1.150 56.498 58.100 -0.753 0.000 1.179 333 Y CB 0.563 38.476 38.460 -0.912 0.000 1.201 333 Y HN 0.416 nan 8.280 nan 0.000 0.483 334 L N 9.755 130.301 121.223 -1.128 0.000 2.313 334 L HA 0.311 4.651 4.340 -0.000 0.000 0.273 334 L C -1.954 174.168 176.870 -1.247 0.000 1.028 334 L CA -1.859 52.464 54.840 -0.862 0.000 0.871 334 L CB 1.204 42.970 42.059 -0.489 0.000 1.242 334 L HN 0.541 nan 8.230 nan 0.000 0.434 335 P HA -0.211 nan 4.420 nan 0.000 0.214 335 P C 0.811 177.827 177.300 -0.474 0.000 1.169 335 P CA 1.371 63.990 63.100 -0.800 0.000 0.908 335 P CB 0.280 31.718 31.700 -0.436 0.000 0.791 336 D N -0.917 119.272 120.400 -0.352 0.000 2.309 336 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 336 D C 1.326 177.504 176.300 -0.203 0.000 0.968 336 D CA 1.017 54.883 54.000 -0.224 0.000 0.882 336 D CB -0.260 40.435 40.800 -0.175 0.000 0.918 336 D HN 0.460 nan 8.370 nan 0.000 0.503 337 E N -0.156 119.883 120.200 -0.269 0.000 2.562 337 E HA 0.006 4.356 4.350 -0.000 0.000 0.214 337 E C -0.376 176.112 176.600 -0.187 0.000 0.979 337 E CA -0.235 56.048 56.400 -0.195 0.000 1.002 337 E CB 0.730 30.322 29.700 -0.179 0.000 1.048 337 E HN -0.105 nan 8.360 nan 0.000 0.488 338 D N 2.108 122.340 120.400 -0.280 0.000 2.803 338 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 338 D C -0.668 175.615 176.300 -0.029 0.000 1.182 338 D CA 1.158 55.085 54.000 -0.122 0.000 0.726 338 D CB -0.733 40.078 40.800 0.018 0.000 0.987 338 D HN 0.432 nan 8.370 nan 0.000 0.412 339 R N -0.623 119.781 120.500 -0.159 0.000 2.728 339 R HA 0.517 4.857 4.340 -0.000 0.000 0.274 339 R C -1.307 174.947 176.300 -0.077 0.000 1.032 339 R CA -0.998 55.102 56.100 0.001 0.000 0.866 339 R CB 0.520 30.809 30.300 -0.018 0.000 1.263 339 R HN -0.037 nan 8.270 nan 0.000 0.475 340 Y N -0.028 120.305 120.300 0.056 0.000 2.453 340 Y HA 0.836 5.386 4.550 -0.000 0.000 0.326 340 Y C 0.196 176.102 175.900 0.011 0.000 1.186 340 Y CA 0.234 58.367 58.100 0.055 0.000 1.200 340 Y CB 2.487 40.978 38.460 0.052 0.000 1.247 340 Y HN 0.959 nan 8.280 nan 0.000 0.482 341 A N 2.286 125.211 122.820 0.175 0.000 2.599 341 A HA 0.619 4.939 4.320 -0.000 0.000 0.294 341 A C -3.211 174.454 177.584 0.134 0.000 1.055 341 A CA -1.758 50.350 52.037 0.119 0.000 0.683 341 A CB 1.080 20.108 19.000 0.046 0.000 1.278 341 A HN 0.400 nan 8.150 nan 0.000 0.412 342 P HA 0.252 nan 4.420 nan 0.000 0.271 342 P C 0.841 178.203 177.300 0.103 0.000 1.216 342 P CA -0.198 63.003 63.100 0.167 0.000 0.776 342 P CB 0.607 32.419 31.700 0.188 0.000 0.881 343 I N 2.433 123.068 120.570 0.108 0.000 2.614 343 I HA -0.203 3.967 4.170 -0.000 0.000 0.258 343 I C 1.245 177.387 176.117 0.042 0.000 1.189 343 I CA 1.396 62.739 61.300 0.073 0.000 1.462 343 I CB -0.031 38.026 38.000 0.095 0.000 1.092 343 I HN 0.383 nan 8.210 nan 0.000 0.442 344 D N 0.603 121.022 120.400 0.032 0.000 2.310 344 D HA -0.273 4.367 4.640 -0.000 0.000 0.212 344 D C 1.170 177.466 176.300 -0.007 0.000 0.965 344 D CA 0.770 54.767 54.000 -0.005 0.000 0.879 344 D CB -0.426 40.349 40.800 -0.041 0.000 0.921 344 D HN 0.617 nan 8.370 nan 0.000 0.510 345 Q N 0.517 120.320 119.800 0.005 0.000 2.404 345 Q HA 0.472 4.812 4.340 -0.000 0.000 0.368 345 Q C 0.558 176.554 176.000 -0.006 0.000 0.939 345 Q CA -0.474 55.327 55.803 -0.003 0.000 1.099 345 Q CB -0.177 28.561 28.738 0.000 0.000 1.284 345 Q HN 0.532 nan 8.270 nan 0.000 0.421 346 I N -5.252 115.313 120.570 -0.009 0.000 3.981 346 I HA 0.427 4.597 4.170 -0.000 0.000 0.248 346 I C 0.002 176.107 176.117 -0.020 0.000 0.862 346 I CA -0.607 60.681 61.300 -0.020 0.000 1.956 346 I CB 0.119 38.103 38.000 -0.028 0.000 1.107 346 I HN 0.044 nan 8.210 nan 0.000 0.394 347 D N 1.149 121.533 120.400 -0.025 0.000 4.541 347 D HA -0.335 4.305 4.640 -0.000 0.000 0.226 347 D C 1.022 177.307 176.300 -0.025 0.000 0.548 347 D CA 4.166 58.152 54.000 -0.023 0.000 1.208 347 D CB -1.525 39.270 40.800 -0.008 0.000 0.737 347 D HN 1.188 nan 8.370 nan 0.000 0.401 348 T N -1.637 112.906 114.554 -0.018 0.000 7.714 348 T HA -0.281 4.069 4.350 -0.000 0.000 0.312 348 T C 0.965 175.655 174.700 -0.018 0.000 1.937 348 T CA 2.692 64.782 62.100 -0.018 0.000 2.886 348 T CB -2.302 66.553 68.868 -0.022 0.000 2.426 348 T HN 1.023 nan 8.240 nan 0.000 1.226 349 T N -0.410 114.133 114.554 -0.018 0.000 5.221 349 T HA -0.281 4.069 4.350 -0.000 0.000 0.299 349 T C 0.867 175.552 174.700 -0.025 0.000 1.489 349 T CA 2.111 64.200 62.100 -0.018 0.000 2.593 349 T CB -1.116 67.745 68.868 -0.012 0.000 1.859 349 T HN 1.032 nan 8.240 nan 0.000 0.982 350 K N -0.702 119.679 120.400 -0.031 0.000 2.438 350 K HA 0.349 4.669 4.320 -0.000 0.000 0.206 350 K C -0.225 176.345 176.600 -0.050 0.000 1.081 350 K CA -0.363 55.902 56.287 -0.037 0.000 1.053 350 K CB 0.895 33.376 32.500 -0.033 0.000 0.908 350 K HN 0.217 nan 8.250 nan 0.000 0.556 351 T N 1.885 116.405 114.554 -0.056 0.000 2.809 351 T HA 0.348 4.698 4.350 -0.000 0.000 0.284 351 T C -0.753 173.893 174.700 -0.090 0.000 0.992 351 T CA -0.717 61.336 62.100 -0.078 0.000 0.957 351 T CB 1.667 70.488 68.868 -0.079 0.000 0.942 351 T HN 0.111 nan 8.240 nan 0.000 0.439 352 R N 2.170 122.601 120.500 -0.115 0.000 2.438 352 R HA 0.509 4.848 4.340 -0.000 0.000 0.287 352 R C 0.590 176.786 176.300 -0.174 0.000 1.077 352 R CA -0.314 55.710 56.100 -0.127 0.000 1.034 352 R CB 0.537 30.755 30.300 -0.136 0.000 0.993 352 R HN 0.743 nan 8.270 nan 0.000 0.459 353 T N 0.146 114.618 114.554 -0.138 0.000 2.907 353 T HA 0.633 4.983 4.350 -0.000 0.000 0.292 353 T C -0.402 174.232 174.700 -0.110 0.000 1.043 353 T CA -0.912 61.098 62.100 -0.150 0.000 1.003 353 T CB 1.359 70.184 68.868 -0.073 0.000 1.084 353 T HN 0.299 nan 8.240 nan 0.000 0.483 354 L N 2.059 123.216 121.223 -0.109 0.000 2.401 354 L HA 0.665 5.005 4.340 -0.000 0.000 0.266 354 L C -0.495 176.472 176.870 0.162 0.000 0.991 354 L CA -0.847 53.985 54.840 -0.013 0.000 0.818 354 L CB 2.234 44.198 42.059 -0.158 0.000 1.321 354 L HN 0.881 nan 8.230 nan 0.000 0.413 355 N N 2.713 121.571 118.700 0.262 0.000 2.484 355 N HA 0.537 5.277 4.740 -0.000 0.000 0.269 355 N C -1.848 173.832 175.510 0.284 0.000 1.237 355 N CA -0.527 52.736 53.050 0.354 0.000 0.838 355 N CB 2.571 41.207 38.487 0.248 0.000 1.593 355 N HN 0.478 nan 8.380 nan 0.000 0.485 356 I N 2.463 123.182 120.570 0.248 0.000 2.420 356 I HA 0.142 4.312 4.170 -0.000 0.000 0.282 356 I C 0.579 176.706 176.117 0.017 0.000 1.019 356 I CA -0.534 60.738 61.300 -0.047 0.000 1.130 356 I CB 1.617 39.247 38.000 -0.618 0.000 1.262 356 I HN 0.514 nan 8.210 nan 0.000 0.454 357 S N 3.745 119.464 115.700 0.031 0.000 2.584 357 S HA 0.192 4.662 4.470 -0.000 0.000 0.270 357 S C 1.468 176.092 174.600 0.040 0.000 1.346 357 S CA -0.044 58.199 58.200 0.070 0.000 1.018 357 S CB 1.463 64.699 63.200 0.060 0.000 0.899 357 S HN 0.799 nan 8.310 nan 0.000 0.542 358 G N 0.906 109.763 108.800 0.095 0.000 2.469 358 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 358 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 358 G C 1.282 176.205 174.900 0.038 0.000 1.136 358 G CA 1.323 46.479 45.100 0.093 0.000 0.759 358 G HN 0.749 nan 8.290 nan 0.000 0.562 359 T N 0.450 115.023 114.554 0.032 0.000 2.746 359 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 359 T C 2.254 176.941 174.700 -0.022 0.000 1.039 359 T CA 1.728 63.836 62.100 0.012 0.000 1.142 359 T CB -0.140 68.740 68.868 0.020 0.000 0.866 359 T HN 0.453 nan 8.240 nan 0.000 0.444 360 E N 0.870 121.045 120.200 -0.043 0.000 2.150 360 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 360 E C 1.942 178.459 176.600 -0.138 0.000 0.985 360 E CA 0.721 57.069 56.400 -0.087 0.000 0.814 360 E CB -0.525 29.113 29.700 -0.103 0.000 0.752 360 E HN 0.376 nan 8.360 nan 0.000 0.466 361 L N 0.530 121.661 121.223 -0.154 0.000 2.023 361 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 361 L C 2.187 179.003 176.870 -0.090 0.000 1.073 361 L CA 1.747 56.479 54.840 -0.180 0.000 0.745 361 L CB -0.584 41.383 42.059 -0.154 0.000 0.900 361 L HN -0.021 nan 8.230 nan 0.000 0.435 362 R N -0.556 119.921 120.500 -0.038 0.000 2.112 362 R HA -0.237 4.103 4.340 -0.000 0.000 0.242 362 R C 2.507 178.782 176.300 -0.042 0.000 1.137 362 R CA 2.201 58.289 56.100 -0.020 0.000 0.944 362 R CB -0.661 29.639 30.300 -0.001 0.000 0.857 362 R HN 0.346 nan 8.270 nan 0.000 0.435 363 R N 0.822 121.291 120.500 -0.051 0.000 2.096 363 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 363 R C 2.219 178.471 176.300 -0.080 0.000 1.139 363 R CA 1.688 57.751 56.100 -0.061 0.000 0.952 363 R CB -0.071 30.195 30.300 -0.057 0.000 0.854 363 R HN 0.225 nan 8.270 nan 0.000 0.436 364 R N 0.118 120.558 120.500 -0.100 0.000 2.120 364 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 364 R C 2.332 178.576 176.300 -0.094 0.000 1.123 364 R CA 1.142 57.175 56.100 -0.112 0.000 0.975 364 R CB -0.244 29.960 30.300 -0.160 0.000 0.866 364 R HN 0.317 nan 8.270 nan 0.000 0.446 365 L N -0.078 121.098 121.223 -0.079 0.000 2.179 365 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 365 L C 2.750 179.581 176.870 -0.064 0.000 1.096 365 L CA 0.808 55.613 54.840 -0.059 0.000 0.779 365 L CB -0.364 41.673 42.059 -0.036 0.000 0.922 365 L HN 0.125 nan 8.230 nan 0.000 0.443 366 R N 0.599 121.057 120.500 -0.070 0.000 2.115 366 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 366 R C 1.856 178.085 176.300 -0.118 0.000 1.111 366 R CA 1.749 57.796 56.100 -0.088 0.000 0.976 366 R CB 0.105 30.357 30.300 -0.080 0.000 0.870 366 R HN 0.396 nan 8.270 nan 0.000 0.445 367 V N -3.536 116.314 119.914 -0.106 0.000 3.578 367 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 367 V C 0.778 176.815 176.094 -0.095 0.000 1.376 367 V CA 0.528 62.760 62.300 -0.113 0.000 1.083 367 V CB 0.392 32.154 31.823 -0.102 0.000 0.911 367 V HN 0.361 nan 8.190 nan 0.000 0.433 368 G N 0.173 108.923 108.800 -0.083 0.000 2.160 368 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.244 368 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.244 368 G C 0.589 175.449 174.900 -0.068 0.000 1.022 368 G CA 0.213 45.271 45.100 -0.069 0.000 0.741 368 G HN 1.449 nan 8.290 nan 0.000 0.508 369 G N -0.743 108.010 108.800 -0.078 0.000 2.636 369 G HA2 0.486 4.446 3.960 -0.000 0.000 0.246 369 G HA3 0.486 4.446 3.960 -0.000 0.000 0.246 369 G C 0.130 174.978 174.900 -0.086 0.000 1.216 369 G CA 0.298 45.350 45.100 -0.080 0.000 0.854 369 G HN 0.472 nan 8.290 nan 0.000 0.572 370 E N -0.934 119.214 120.200 -0.086 0.000 2.343 370 E HA 0.392 4.742 4.350 -0.000 0.000 0.269 370 E C -0.608 175.907 176.600 -0.142 0.000 1.047 370 E CA -0.459 55.886 56.400 -0.092 0.000 0.874 370 E CB 0.991 30.649 29.700 -0.070 0.000 1.033 370 E HN 0.150 nan 8.360 nan 0.000 0.409 371 I N 5.762 126.238 120.570 -0.157 0.000 2.406 371 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 371 I C -2.165 173.787 176.117 -0.275 0.000 0.999 371 I CA -2.419 58.735 61.300 -0.244 0.000 1.124 371 I CB 1.545 39.432 38.000 -0.188 0.000 1.289 371 I HN 0.474 nan 8.210 nan 0.000 0.441 372 P HA 0.005 nan 4.420 nan 0.000 0.261 372 P C 0.507 177.510 177.300 -0.496 0.000 1.173 372 P CA 0.037 62.777 63.100 -0.601 0.000 0.760 372 P CB 0.579 31.421 31.700 -1.432 0.000 0.783 373 E N 2.679 122.729 120.200 -0.250 0.000 2.265 373 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 373 E C 1.576 178.077 176.600 -0.165 0.000 0.996 373 E CA 1.083 57.393 56.400 -0.150 0.000 0.832 373 E CB -0.201 29.472 29.700 -0.046 0.000 0.756 373 E HN 0.731 nan 8.360 nan 0.000 0.491 374 W N -0.679 120.527 121.300 -0.157 0.000 2.658 374 W HA -0.003 4.657 4.660 -0.000 0.000 0.263 374 W C 1.626 177.982 176.519 -0.271 0.000 1.274 374 W CA -0.135 57.024 57.345 -0.309 0.000 1.343 374 W CB -0.996 28.096 29.460 -0.613 0.000 1.106 374 W HN -0.075 nan 8.180 nan 0.000 0.615 375 F N 2.276 121.714 119.950 -0.853 0.000 2.149 375 F HA 0.182 4.709 4.527 -0.000 0.000 0.294 375 F C 0.981 176.601 175.800 -0.300 0.000 1.095 375 F CA 1.682 59.276 58.000 -0.676 0.000 1.276 375 F CB -0.106 38.232 39.000 -1.104 0.000 1.023 375 F HN -0.182 nan 8.300 nan 0.000 0.480 376 S N -2.082 113.441 115.700 -0.296 0.000 2.596 376 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 376 S C -1.598 172.919 174.600 -0.139 0.000 1.155 376 S CA -0.700 57.386 58.200 -0.190 0.000 0.827 376 S CB 0.321 63.588 63.200 0.113 0.000 1.130 376 S HN 0.033 nan 8.310 nan 0.000 0.467 377 Y N 2.687 122.980 120.300 -0.011 0.000 2.411 377 Y HA 0.235 4.785 4.550 -0.000 0.000 0.333 377 Y C -1.026 174.879 175.900 0.008 0.000 1.186 377 Y CA -1.251 56.845 58.100 -0.005 0.000 1.381 377 Y CB 0.166 38.621 38.460 -0.008 0.000 1.273 377 Y HN 0.524 nan 8.280 nan 0.000 0.546 378 P HA -0.210 nan 4.420 nan 0.000 0.215 378 P C 0.548 177.897 177.300 0.081 0.000 1.157 378 P CA 1.870 65.018 63.100 0.080 0.000 0.874 378 P CB 0.361 32.093 31.700 0.055 0.000 0.790 379 E N -0.050 120.204 120.200 0.090 0.000 2.160 379 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 379 E C 2.133 178.762 176.600 0.049 0.000 0.991 379 E CA 0.860 57.292 56.400 0.053 0.000 0.810 379 E CB -1.472 28.248 29.700 0.033 0.000 0.742 379 E HN 0.116 nan 8.360 nan 0.000 0.466 380 V N 0.356 120.320 119.914 0.084 0.000 2.379 380 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 380 V C 2.188 178.330 176.094 0.081 0.000 1.044 380 V CA 1.276 63.620 62.300 0.073 0.000 1.036 380 V CB -0.325 31.573 31.823 0.125 0.000 0.664 380 V HN 0.162 nan 8.190 nan 0.000 0.453 381 V N 0.102 120.077 119.914 0.101 0.000 2.343 381 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 381 V C 2.415 178.534 176.094 0.042 0.000 1.051 381 V CA 2.322 64.671 62.300 0.082 0.000 1.036 381 V CB -0.690 31.169 31.823 0.060 0.000 0.654 381 V HN 0.561 nan 8.190 nan 0.000 0.451 382 K N 0.098 120.517 120.400 0.032 0.000 2.063 382 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 382 K C 2.087 178.693 176.600 0.011 0.000 1.048 382 K CA 1.833 58.130 56.287 0.017 0.000 0.928 382 K CB -0.259 32.251 32.500 0.016 0.000 0.713 382 K HN 0.422 nan 8.250 nan 0.000 0.442 383 I N 1.079 121.655 120.570 0.010 0.000 2.286 383 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 383 I C 2.107 178.223 176.117 -0.002 0.000 1.115 383 I CA 0.976 62.274 61.300 -0.003 0.000 1.392 383 I CB -0.102 37.888 38.000 -0.017 0.000 1.065 383 I HN 0.194 nan 8.210 nan 0.000 0.418 384 L N 0.017 121.247 121.223 0.012 0.000 2.093 384 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 384 L C 2.686 179.561 176.870 0.009 0.000 1.085 384 L CA 1.261 56.111 54.840 0.017 0.000 0.755 384 L CB -0.532 41.561 42.059 0.056 0.000 0.904 384 L HN 0.172 nan 8.230 nan 0.000 0.435 385 R N 0.051 120.555 120.500 0.006 0.000 2.092 385 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 385 R C 2.097 178.393 176.300 -0.006 0.000 1.119 385 R CA 1.085 57.182 56.100 -0.004 0.000 0.970 385 R CB -0.202 30.093 30.300 -0.008 0.000 0.864 385 R HN 0.454 nan 8.270 nan 0.000 0.440 386 E N 0.356 120.554 120.200 -0.005 0.000 2.110 386 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 386 E C 1.909 178.504 176.600 -0.009 0.000 0.988 386 E CA 1.678 58.074 56.400 -0.007 0.000 0.804 386 E CB 0.078 29.774 29.700 -0.006 0.000 0.745 386 E HN 0.358 nan 8.360 nan 0.000 0.458 387 S N 0.046 115.740 115.700 -0.009 0.000 2.486 387 S HA 0.027 4.497 4.470 -0.000 0.000 0.220 387 S C 0.577 175.173 174.600 -0.008 0.000 1.011 387 S CA 0.023 58.217 58.200 -0.011 0.000 0.921 387 S CB 0.073 63.266 63.200 -0.012 0.000 0.785 387 S HN 0.075 nan 8.310 nan 0.000 0.517 388 N N 2.513 121.210 118.700 -0.005 0.000 2.791 388 N HA 0.360 5.100 4.740 -0.000 0.000 0.265 388 N C -3.081 172.423 175.510 -0.010 0.000 1.580 388 N CA -1.219 51.829 53.050 -0.004 0.000 0.809 388 N CB 1.807 40.294 38.487 0.000 0.000 1.178 388 N HN 0.296 nan 8.380 nan 0.000 0.499 389 P HA 0.190 nan 4.420 nan 0.000 0.272 389 P C -2.617 174.663 177.300 -0.033 0.000 1.230 389 P CA -0.929 62.161 63.100 -0.017 0.000 0.788 389 P CB 0.505 32.200 31.700 -0.007 0.000 0.949 390 P HA 0.104 nan 4.420 nan 0.000 0.272 390 P C 1.132 178.365 177.300 -0.111 0.000 1.240 390 P CA -0.204 62.847 63.100 -0.082 0.000 0.791 390 P CB 0.664 32.319 31.700 -0.075 0.000 0.978 391 R N 1.499 121.875 120.500 -0.207 0.000 2.103 391 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 391 R C -0.563 175.607 176.300 -0.216 0.000 1.142 391 R CA 2.053 57.930 56.100 -0.372 0.000 0.960 391 R CB -2.436 27.480 30.300 -0.640 0.000 0.858 391 R HN 0.552 nan 8.270 nan 0.000 0.439 392 P HA -0.085 nan 4.420 nan 0.000 0.228 392 P C 0.459 177.790 177.300 0.051 0.000 1.151 392 P CA 1.137 64.224 63.100 -0.021 0.000 0.770 392 P CB 0.126 31.804 31.700 -0.037 0.000 0.786 393 K N -0.835 119.581 120.400 0.027 0.000 2.374 393 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 393 K C 0.930 177.573 176.600 0.071 0.000 1.040 393 K CA 0.021 56.337 56.287 0.048 0.000 1.085 393 K CB 0.671 33.181 32.500 0.018 0.000 0.873 393 K HN 0.363 nan 8.250 nan 0.000 0.539 394 Q N -0.074 119.794 119.800 0.113 0.000 2.260 394 Q HA 0.392 4.732 4.340 -0.000 0.000 0.238 394 Q C 0.435 176.617 176.000 0.303 0.000 0.948 394 Q CA -0.455 55.457 55.803 0.183 0.000 0.895 394 Q CB 1.277 30.123 28.738 0.181 0.000 1.218 394 Q HN 0.135 nan 8.270 nan 0.000 0.470 395 G N 0.408 109.337 108.800 0.214 0.000 2.535 395 G HA2 0.671 4.631 3.960 -0.000 0.000 0.303 395 G HA3 0.671 4.631 3.960 -0.000 0.000 0.303 395 G C -0.997 174.018 174.900 0.192 0.000 1.237 395 G CA -0.330 44.807 45.100 0.062 0.000 0.986 395 G HN 0.555 nan 8.290 nan 0.000 0.494 396 F N -2.803 117.146 119.950 -0.002 0.000 2.842 396 F HA 0.744 5.271 4.527 -0.000 0.000 0.319 396 F C -0.804 175.005 175.800 0.015 0.000 1.159 396 F CA -1.463 56.513 58.000 -0.040 0.000 0.902 396 F CB 1.077 39.847 39.000 -0.384 0.000 1.311 396 F HN 0.482 nan 8.300 nan 0.000 0.453 397 S N 1.732 117.630 115.700 0.331 0.000 2.536 397 S HA 0.818 5.288 4.470 -0.000 0.000 0.287 397 S C -1.446 173.418 174.600 0.440 0.000 1.101 397 S CA -0.617 57.763 58.200 0.300 0.000 0.950 397 S CB 1.731 65.062 63.200 0.218 0.000 1.056 397 S HN 0.539 nan 8.310 nan 0.000 0.481 398 I N 2.957 123.777 120.570 0.417 0.000 2.406 398 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 398 I C -0.621 175.647 176.117 0.252 0.000 0.999 398 I CA -0.712 60.791 61.300 0.339 0.000 1.124 398 I CB 1.488 39.709 38.000 0.368 0.000 1.289 398 I HN 0.282 nan 8.210 nan 0.000 0.441 399 V N 6.690 126.708 119.914 0.173 0.000 2.384 399 V HA 0.371 4.491 4.120 -0.000 0.000 0.287 399 V C 0.347 176.472 176.094 0.051 0.000 1.020 399 V CA -0.747 61.621 62.300 0.114 0.000 0.850 399 V CB 1.893 33.725 31.823 0.015 0.000 0.987 399 V HN 0.416 nan 8.190 nan 0.000 0.436 400 L N 5.062 126.317 121.223 0.054 0.000 2.385 400 L HA 0.355 4.695 4.340 -0.000 0.000 0.281 400 L C 1.290 178.152 176.870 -0.014 0.000 1.106 400 L CA 0.117 54.969 54.840 0.020 0.000 0.856 400 L CB 0.196 42.269 42.059 0.024 0.000 1.186 400 L HN 0.825 nan 8.230 nan 0.000 0.453 401 G N 2.356 111.136 108.800 -0.032 0.000 2.614 401 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.239 401 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.239 401 G C 0.875 175.749 174.900 -0.044 0.000 1.240 401 G CA -0.474 44.593 45.100 -0.055 0.000 0.842 401 G HN 0.702 nan 8.290 nan 0.000 0.584 402 N N 0.293 118.961 118.700 -0.054 0.000 2.192 402 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 402 N C 2.679 178.172 175.510 -0.029 0.000 1.013 402 N CA 1.606 54.633 53.050 -0.039 0.000 0.863 402 N CB -0.256 38.205 38.487 -0.042 0.000 0.990 402 N HN 0.597 nan 8.380 nan 0.000 0.430 403 S N 0.740 116.422 115.700 -0.030 0.000 2.382 403 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 403 S C 1.012 175.600 174.600 -0.021 0.000 1.027 403 S CA 0.221 58.407 58.200 -0.023 0.000 0.991 403 S CB -0.449 62.737 63.200 -0.023 0.000 0.823 403 S HN 0.141 nan 8.310 nan 0.000 0.469 404 L N 3.430 124.640 121.223 -0.022 0.000 2.640 404 L HA 0.023 4.363 4.340 -0.000 0.000 0.280 404 L C 1.417 178.275 176.870 -0.020 0.000 1.229 404 L CA 1.330 56.158 54.840 -0.020 0.000 0.919 404 L CB -0.009 42.039 42.059 -0.018 0.000 1.168 404 L HN 0.628 nan 8.230 nan 0.000 0.496 405 T N -0.620 113.921 114.554 -0.021 0.000 3.129 405 T HA 0.218 4.568 4.350 -0.000 0.000 0.267 405 T C 0.364 175.049 174.700 -0.024 0.000 1.018 405 T CA -0.239 61.848 62.100 -0.022 0.000 0.903 405 T CB -0.018 68.837 68.868 -0.021 0.000 1.067 405 T HN 0.335 nan 8.240 nan 0.000 0.549 406 V N -0.943 118.955 119.914 -0.026 0.000 3.295 406 V HA 0.659 4.779 4.120 -0.000 0.000 0.308 406 V C 0.600 176.679 176.094 -0.026 0.000 1.068 406 V CA -1.048 61.235 62.300 -0.029 0.000 1.062 406 V CB 1.093 32.897 31.823 -0.031 0.000 1.162 406 V HN 0.226 nan 8.190 nan 0.000 0.456 407 S N 0.266 115.950 115.700 -0.027 0.000 2.481 407 S HA 0.209 4.679 4.470 -0.000 0.000 0.282 407 S C 1.169 175.754 174.600 -0.025 0.000 1.243 407 S CA 0.023 58.208 58.200 -0.026 0.000 1.078 407 S CB -0.179 63.005 63.200 -0.028 0.000 0.916 407 S HN 0.793 nan 8.310 nan 0.000 0.495 408 R N 3.137 123.624 120.500 -0.022 0.000 2.075 408 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 408 R C 1.885 178.172 176.300 -0.022 0.000 1.126 408 R CA 1.998 58.087 56.100 -0.019 0.000 0.963 408 R CB -0.133 30.157 30.300 -0.017 0.000 0.858 408 R HN 0.659 nan 8.270 nan 0.000 0.435 409 E N 0.367 120.552 120.200 -0.026 0.000 2.051 409 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 409 E C 2.069 178.648 176.600 -0.034 0.000 0.991 409 E CA 1.036 57.419 56.400 -0.029 0.000 0.799 409 E CB -0.068 29.615 29.700 -0.029 0.000 0.748 409 E HN 0.193 nan 8.360 nan 0.000 0.449 410 Q N -0.043 119.736 119.800 -0.035 0.000 2.123 410 Q HA -0.046 4.294 4.340 -0.000 0.000 0.199 410 Q C 2.290 178.260 176.000 -0.049 0.000 0.966 410 Q CA 0.648 56.426 55.803 -0.041 0.000 0.845 410 Q CB -0.315 28.401 28.738 -0.038 0.000 0.907 410 Q HN 0.253 nan 8.270 nan 0.000 0.439 411 L N 0.704 121.902 121.223 -0.042 0.000 2.093 411 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 411 L C 2.030 178.864 176.870 -0.060 0.000 1.085 411 L CA 1.616 56.429 54.840 -0.045 0.000 0.755 411 L CB -0.707 41.336 42.059 -0.027 0.000 0.904 411 L HN -0.021 nan 8.230 nan 0.000 0.435 412 S N -0.175 115.498 115.700 -0.045 0.000 2.348 412 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 412 S C 1.966 176.516 174.600 -0.084 0.000 1.033 412 S CA 1.804 59.979 58.200 -0.043 0.000 1.010 412 S CB -0.389 62.801 63.200 -0.015 0.000 0.891 412 S HN 0.498 nan 8.310 nan 0.000 0.442 413 I N 1.735 122.257 120.570 -0.079 0.000 2.226 413 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 413 I C 2.706 178.735 176.117 -0.146 0.000 1.100 413 I CA 1.074 62.316 61.300 -0.097 0.000 1.374 413 I CB -0.533 37.423 38.000 -0.073 0.000 1.057 413 I HN 0.258 nan 8.210 nan 0.000 0.413 414 A N 0.996 123.733 122.820 -0.138 0.000 1.908 414 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 414 A C 2.307 179.723 177.584 -0.279 0.000 1.181 414 A CA 1.555 53.492 52.037 -0.167 0.000 0.627 414 A CB -0.878 18.053 19.000 -0.116 0.000 0.818 414 A HN 0.387 nan 8.150 nan 0.000 0.445 415 L N -1.270 119.756 121.223 -0.329 0.000 2.056 415 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 415 L C 2.541 178.851 176.870 -0.934 0.000 1.078 415 L CA 1.053 55.503 54.840 -0.650 0.000 0.749 415 L CB -0.466 41.304 42.059 -0.481 0.000 0.901 415 L HN 0.468 nan 8.230 nan 0.000 0.433 416 L N -0.696 120.234 121.223 -0.489 0.000 1.994 416 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 416 L C 2.588 179.241 176.870 -0.362 0.000 1.071 416 L CA 1.878 56.512 54.840 -0.344 0.000 0.745 416 L CB -0.535 41.431 42.059 -0.155 0.000 0.892 416 L HN 0.081 nan 8.230 nan 0.000 0.431 417 S N -1.212 114.305 115.700 -0.304 0.000 2.399 417 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 417 S C 1.750 176.135 174.600 -0.358 0.000 1.022 417 S CA 1.584 59.625 58.200 -0.265 0.000 0.983 417 S CB -0.489 62.594 63.200 -0.195 0.000 0.803 417 S HN 0.619 nan 8.310 nan 0.000 0.480 418 T N 1.948 116.228 114.554 -0.458 0.000 2.770 418 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 418 T C 1.380 175.559 174.700 -0.868 0.000 1.039 418 T CA 0.939 62.698 62.100 -0.568 0.000 1.142 418 T CB -0.366 68.244 68.868 -0.431 0.000 0.868 418 T HN 0.289 nan 8.240 nan 0.000 0.435 419 F N 1.544 121.061 119.950 -0.721 0.000 2.134 419 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 419 F C 2.129 177.434 175.800 -0.825 0.000 1.097 419 F CA -0.006 57.476 58.000 -0.863 0.000 1.264 419 F CB -1.371 37.014 39.000 -1.024 0.000 1.001 419 F HN 0.105 nan 8.300 nan 0.000 0.479 420 L N -0.461 120.494 121.223 -0.448 0.000 2.265 420 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 420 L C 2.317 179.068 176.870 -0.198 0.000 1.117 420 L CA 1.030 55.735 54.840 -0.225 0.000 0.782 420 L CB -0.705 41.254 42.059 -0.167 0.000 0.914 420 L HN 0.248 nan 8.230 nan 0.000 0.441 421 Q N -0.495 119.073 119.800 -0.387 0.000 2.119 421 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 421 Q C 2.171 178.140 176.000 -0.052 0.000 0.972 421 Q CA 1.450 57.096 55.803 -0.263 0.000 0.847 421 Q CB -0.149 28.367 28.738 -0.369 0.000 0.903 421 Q HN 0.541 nan 8.270 nan 0.000 0.433 422 F N 0.819 120.777 119.950 0.012 0.000 2.234 422 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 422 F C 1.641 177.474 175.800 0.055 0.000 1.087 422 F CA 0.063 58.087 58.000 0.039 0.000 1.340 422 F CB -0.462 38.475 39.000 -0.105 0.000 1.031 422 F HN 0.160 nan 8.300 nan 0.000 0.500 423 G N 0.134 109.084 108.800 0.249 0.000 2.907 423 G HA2 0.060 4.020 3.960 -0.000 0.000 0.242 423 G HA3 0.060 4.020 3.960 -0.000 0.000 0.242 423 G C 0.629 175.659 174.900 0.216 0.000 1.448 423 G CA -0.176 45.050 45.100 0.211 0.000 0.911 423 G HN 1.179 nan 8.290 nan 0.000 0.553 424 G N -2.407 106.494 108.800 0.168 0.000 2.234 424 G HA2 0.500 4.460 3.960 -0.000 0.000 0.153 424 G HA3 0.500 4.460 3.960 -0.000 0.000 0.153 424 G C 1.549 176.530 174.900 0.134 0.000 1.013 424 G CA 0.749 45.932 45.100 0.138 0.000 0.712 424 G HN 3.039 nan 8.290 nan 0.000 0.491 425 G N -0.160 108.725 108.800 0.141 0.000 2.358 425 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.224 425 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.224 425 G C 0.600 175.566 174.900 0.111 0.000 1.073 425 G CA 0.957 46.126 45.100 0.116 0.000 0.635 425 G HN 1.251 nan 8.290 nan 0.000 0.509 426 R N 0.411 120.972 120.500 0.103 0.000 2.583 426 R HA 0.297 4.637 4.340 -0.000 0.000 0.274 426 R C -0.265 175.934 176.300 -0.168 0.000 0.998 426 R CA -0.108 55.951 56.100 -0.068 0.000 1.081 426 R CB -0.055 30.143 30.300 -0.171 0.000 0.940 426 R HN 0.405 nan 8.270 nan 0.000 0.413 427 Y N 4.330 124.425 120.300 -0.343 0.000 2.342 427 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 427 Y C -1.374 174.254 175.900 -0.453 0.000 1.067 427 Y CA -0.442 57.523 58.100 -0.225 0.000 1.128 427 Y CB 0.833 39.242 38.460 -0.085 0.000 1.200 427 Y HN 0.479 nan 8.280 nan 0.000 0.464 428 Y N 4.565 124.726 120.300 -0.231 0.000 2.446 428 Y HA 0.552 5.102 4.550 -0.000 0.000 0.345 428 Y C -0.360 175.444 175.900 -0.159 0.000 0.984 428 Y CA -1.078 56.964 58.100 -0.097 0.000 1.058 428 Y CB 1.989 40.472 38.460 0.038 0.000 1.220 428 Y HN 0.430 nan 8.280 nan 0.000 0.455 429 K N 3.080 123.534 120.400 0.089 0.000 2.525 429 K HA 0.506 4.826 4.320 -0.000 0.000 0.254 429 K C -1.643 175.010 176.600 0.088 0.000 0.934 429 K CA -0.592 55.724 56.287 0.048 0.000 0.802 429 K CB 1.650 34.138 32.500 -0.019 0.000 1.295 429 K HN 0.735 nan 8.250 nan 0.000 0.433 430 I N 4.271 124.897 120.570 0.093 0.000 2.379 430 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 430 I C -0.493 175.721 176.117 0.162 0.000 1.063 430 I CA -0.301 61.064 61.300 0.109 0.000 1.351 430 I CB 0.233 38.263 38.000 0.051 0.000 1.410 430 I HN 0.414 nan 8.210 nan 0.000 0.505 431 F N 6.920 126.871 119.950 0.002 0.000 2.402 431 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 431 F C 0.019 175.836 175.800 0.029 0.000 1.123 431 F CA -0.548 57.454 58.000 0.003 0.000 1.021 431 F CB 0.885 39.879 39.000 -0.010 0.000 1.160 431 F HN 0.399 nan 8.300 nan 0.000 0.451 432 E N 5.024 124.945 120.200 -0.465 0.000 2.109 432 E HA 0.115 4.465 4.350 -0.000 0.000 0.278 432 E C -0.120 176.071 176.600 -0.681 0.000 0.954 432 E CA -0.258 55.859 56.400 -0.472 0.000 0.779 432 E CB 0.700 30.222 29.700 -0.298 0.000 1.093 432 E HN 0.794 nan 8.360 nan 0.000 0.401 433 H N 2.162 121.028 119.070 -0.340 0.000 2.547 433 H HA 0.170 4.726 4.556 -0.000 0.000 0.272 433 H C 0.136 175.408 175.328 -0.093 0.000 0.971 433 H CA 0.190 56.097 56.048 -0.235 0.000 1.245 433 H CB -0.113 29.667 29.762 0.029 0.000 1.440 433 H HN 0.535 nan 8.280 nan 0.000 0.540 434 N N 0.555 119.145 118.700 -0.184 0.000 2.710 434 N HA -0.330 4.410 4.740 -0.000 0.000 0.249 434 N C -0.398 175.225 175.510 0.189 0.000 1.059 434 N CA 0.623 53.665 53.050 -0.012 0.000 0.720 434 N CB -1.320 37.139 38.487 -0.047 0.000 0.983 434 N HN 0.664 nan 8.380 nan 0.000 0.544 435 N N -1.158 117.872 118.700 0.550 0.000 2.681 435 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 435 N C -1.280 174.322 175.510 0.154 0.000 1.133 435 N CA 1.548 54.805 53.050 0.345 0.000 0.732 435 N CB -0.268 38.365 38.487 0.242 0.000 1.107 435 N HN 0.496 nan 8.380 nan 0.000 0.559 436 K N -0.291 120.187 120.400 0.130 0.000 2.262 436 K HA 0.158 4.478 4.320 -0.000 0.000 0.282 436 K C 1.603 178.227 176.600 0.039 0.000 1.066 436 K CA 0.277 56.602 56.287 0.064 0.000 0.901 436 K CB 0.912 33.441 32.500 0.048 0.000 1.089 436 K HN 0.301 nan 8.250 nan 0.000 0.476 437 T N -0.287 114.273 114.554 0.009 0.000 2.849 437 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 437 T C 1.551 176.250 174.700 -0.002 0.000 1.066 437 T CA 1.577 63.663 62.100 -0.022 0.000 1.130 437 T CB -0.191 68.659 68.868 -0.029 0.000 0.864 437 T HN 0.754 nan 8.240 nan 0.000 0.481 438 E N 0.727 120.938 120.200 0.019 0.000 2.265 438 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 438 E C 2.122 178.766 176.600 0.072 0.000 0.996 438 E CA 0.891 57.308 56.400 0.030 0.000 0.832 438 E CB -0.422 29.294 29.700 0.027 0.000 0.756 438 E HN 0.540 nan 8.360 nan 0.000 0.491 439 L N 0.164 121.448 121.223 0.101 0.000 2.269 439 L HA 0.064 4.404 4.340 -0.000 0.000 0.200 439 L C 2.543 179.588 176.870 0.290 0.000 1.069 439 L CA 0.140 55.117 54.840 0.227 0.000 0.804 439 L CB -0.156 41.982 42.059 0.131 0.000 0.987 439 L HN 0.137 nan 8.230 nan 0.000 0.468 440 L N 0.102 121.391 121.223 0.110 0.000 2.081 440 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 440 L C 2.665 179.471 176.870 -0.107 0.000 1.080 440 L CA 1.677 56.472 54.840 -0.075 0.000 0.754 440 L CB -0.639 41.235 42.059 -0.308 0.000 0.893 440 L HN 0.389 nan 8.230 nan 0.000 0.433 441 S N -0.684 114.981 115.700 -0.059 0.000 2.547 441 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 441 S C 1.682 176.246 174.600 -0.059 0.000 0.980 441 S CA 0.562 58.719 58.200 -0.072 0.000 0.941 441 S CB -0.336 62.833 63.200 -0.052 0.000 0.763 441 S HN 0.423 nan 8.310 nan 0.000 0.532 442 L N 0.200 121.420 121.223 -0.006 0.000 2.477 442 L HA 0.292 4.632 4.340 -0.000 0.000 0.220 442 L C 2.116 178.927 176.870 -0.098 0.000 1.106 442 L CA 0.173 54.979 54.840 -0.056 0.000 0.851 442 L CB -0.418 41.676 42.059 0.058 0.000 0.994 442 L HN 0.268 nan 8.230 nan 0.000 0.462 443 I N -0.127 120.388 120.570 -0.093 0.000 2.151 443 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 443 I C 2.501 178.583 176.117 -0.058 0.000 1.080 443 I CA 1.289 62.523 61.300 -0.110 0.000 1.339 443 I CB -0.213 37.720 38.000 -0.112 0.000 1.039 443 I HN 0.355 nan 8.210 nan 0.000 0.409 444 Q N 0.165 119.917 119.800 -0.080 0.000 2.378 444 Q HA -0.131 4.209 4.340 -0.000 0.000 0.205 444 Q C 1.578 177.527 176.000 -0.085 0.000 0.954 444 Q CA 0.986 56.753 55.803 -0.061 0.000 0.901 444 Q CB -0.213 28.490 28.738 -0.058 0.000 0.981 444 Q HN 0.541 nan 8.270 nan 0.000 0.483 445 D N -0.559 119.750 120.400 -0.152 0.000 2.123 445 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 445 D C 1.673 177.816 176.300 -0.262 0.000 0.976 445 D CA 0.706 54.563 54.000 -0.239 0.000 0.831 445 D CB -0.235 40.350 40.800 -0.357 0.000 0.974 445 D HN 0.240 nan 8.370 nan 0.000 0.469 446 F N 1.111 120.952 119.950 -0.181 0.000 2.134 446 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 446 F C 2.505 178.210 175.800 -0.159 0.000 1.097 446 F CA 0.557 58.441 58.000 -0.195 0.000 1.264 446 F CB -0.166 38.673 39.000 -0.268 0.000 1.001 446 F HN -0.115 nan 8.300 nan 0.000 0.479 447 I N -0.305 120.295 120.570 0.051 0.000 2.226 447 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 447 I C 2.743 178.866 176.117 0.009 0.000 1.100 447 I CA 1.502 62.813 61.300 0.018 0.000 1.374 447 I CB -1.193 36.826 38.000 0.032 0.000 1.057 447 I HN 0.200 nan 8.210 nan 0.000 0.413 448 G N -0.086 108.701 108.800 -0.021 0.000 2.432 448 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 448 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 448 G C 1.618 176.490 174.900 -0.046 0.000 1.135 448 G CA 0.817 45.895 45.100 -0.036 0.000 0.767 448 G HN 0.381 nan 8.290 nan 0.000 0.550 449 S N -0.163 115.501 115.700 -0.060 0.000 2.603 449 S HA 0.329 4.799 4.470 -0.000 0.000 0.220 449 S C 1.830 176.412 174.600 -0.030 0.000 0.967 449 S CA 0.829 58.992 58.200 -0.063 0.000 0.920 449 S CB 0.068 63.211 63.200 -0.096 0.000 0.773 449 S HN 1.180 nan 8.310 nan 0.000 0.529 450 G N 1.296 110.087 108.800 -0.015 0.000 2.175 450 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 450 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 450 G C 0.180 175.035 174.900 -0.075 0.000 0.982 450 G CA 0.173 45.266 45.100 -0.012 0.000 0.641 450 G HN 0.503 nan 8.290 nan 0.000 0.527 451 S N -0.241 115.410 115.700 -0.083 0.000 2.632 451 S HA 0.617 5.087 4.470 -0.000 0.000 0.267 451 S C 0.685 175.006 174.600 -0.465 0.000 1.276 451 S CA 0.181 58.264 58.200 -0.195 0.000 0.998 451 S CB 1.734 64.934 63.200 -0.000 0.000 0.953 451 S HN 1.363 nan 8.310 nan 0.000 0.547 452 G N 1.076 109.460 108.800 -0.694 0.000 2.370 452 G HA2 0.585 4.545 3.960 -0.000 0.000 0.317 452 G HA3 0.585 4.545 3.960 -0.000 0.000 0.317 452 G C -0.955 173.754 174.900 -0.320 0.000 1.162 452 G CA -0.576 43.932 45.100 -0.987 0.000 0.922 452 G HN 0.554 nan 8.290 nan 0.000 0.454 453 L N 2.778 123.867 121.223 -0.224 0.000 2.307 453 L HA 0.508 4.848 4.340 -0.000 0.000 0.284 453 L C -0.310 176.681 176.870 0.200 0.000 1.023 453 L CA -0.773 54.058 54.840 -0.014 0.000 0.810 453 L CB 2.112 44.117 42.059 -0.088 0.000 1.231 453 L HN 0.353 nan 8.230 nan 0.000 0.423 454 I N 4.798 125.512 120.570 0.240 0.000 2.330 454 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 454 I C -0.269 175.986 176.117 0.231 0.000 1.025 454 I CA -0.109 61.350 61.300 0.265 0.000 1.197 454 I CB 1.164 39.297 38.000 0.222 0.000 1.358 454 I HN 0.425 nan 8.210 nan 0.000 0.467 455 I N 9.080 129.805 120.570 0.259 0.000 2.307 455 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 455 I C -1.195 175.028 176.117 0.177 0.000 1.054 455 I CA -1.678 59.790 61.300 0.280 0.000 1.218 455 I CB 1.222 39.489 38.000 0.444 0.000 1.398 455 I HN 0.382 nan 8.210 nan 0.000 0.475 456 P HA -0.142 nan 4.420 nan 0.000 0.222 456 P C -0.556 176.762 177.300 0.029 0.000 1.142 456 P CA 1.334 64.458 63.100 0.039 0.000 0.788 456 P CB -0.164 31.535 31.700 -0.002 0.000 0.767 457 D N -3.412 117.022 120.400 0.057 0.000 2.623 457 D HA 0.189 4.829 4.640 -0.000 0.000 0.241 457 D C -0.715 175.688 176.300 0.173 0.000 1.241 457 D CA -0.924 53.112 54.000 0.060 0.000 0.788 457 D CB 0.386 41.197 40.800 0.018 0.000 1.413 457 D HN -0.096 nan 8.370 nan 0.000 0.429 458 Q N -0.080 119.734 119.800 0.023 0.000 2.454 458 Q HA 0.389 4.729 4.340 -0.000 0.000 0.247 458 Q C -0.649 175.384 176.000 0.054 0.000 1.028 458 Q CA -0.456 55.242 55.803 -0.175 0.000 0.910 458 Q CB 0.631 29.182 28.738 -0.312 0.000 1.276 458 Q HN 0.669 nan 8.270 nan 0.000 0.489 459 W N -0.604 120.718 121.300 0.036 0.000 2.509 459 W HA 0.457 5.117 4.660 -0.000 0.000 0.351 459 W C -0.415 176.102 176.519 -0.003 0.000 1.107 459 W CA -1.125 56.188 57.345 -0.055 0.000 1.264 459 W CB 0.303 29.547 29.460 -0.360 0.000 1.312 459 W HN 0.458 nan 8.180 nan 0.000 0.608 460 E N 1.138 121.486 120.200 0.246 0.000 2.467 460 E HA -0.139 4.211 4.350 -0.000 0.000 0.264 460 E C 0.329 177.038 176.600 0.181 0.000 1.020 460 E CA 0.403 56.895 56.400 0.152 0.000 0.945 460 E CB 0.528 30.307 29.700 0.131 0.000 0.942 460 E HN 0.486 nan 8.360 nan 0.000 0.449 461 D N 1.525 121.984 120.400 0.098 0.000 2.221 461 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 461 D C 0.990 177.361 176.300 0.119 0.000 0.982 461 D CA 1.308 55.365 54.000 0.095 0.000 0.857 461 D CB -0.097 40.733 40.800 0.049 0.000 0.934 461 D HN 0.486 nan 8.370 nan 0.000 0.475 462 D N -0.637 119.825 120.400 0.103 0.000 2.324 462 D HA -0.059 4.581 4.640 -0.000 0.000 0.235 462 D C 1.018 177.369 176.300 0.085 0.000 1.095 462 D CA 0.382 54.431 54.000 0.082 0.000 0.871 462 D CB 0.133 40.969 40.800 0.060 0.000 0.906 462 D HN 0.018 nan 8.370 nan 0.000 0.522 463 K N -0.265 120.215 120.400 0.134 0.000 2.450 463 K HA 0.086 4.406 4.320 -0.000 0.000 0.206 463 K C 0.799 177.424 176.600 0.041 0.000 1.148 463 K CA -0.002 56.329 56.287 0.073 0.000 1.014 463 K CB 0.411 32.953 32.500 0.070 0.000 0.966 463 K HN 0.018 nan 8.250 nan 0.000 0.566 464 D N 1.736 122.271 120.400 0.224 0.000 2.149 464 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 464 D C 1.814 178.161 176.300 0.078 0.000 1.001 464 D CA 2.356 56.524 54.000 0.280 0.000 0.849 464 D CB 0.169 41.142 40.800 0.289 0.000 0.939 464 D HN 0.204 nan 8.370 nan 0.000 0.449 465 S N -0.567 115.160 115.700 0.046 0.000 2.383 465 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 465 S C 2.098 176.675 174.600 -0.038 0.000 1.030 465 S CA 1.134 59.341 58.200 0.013 0.000 1.002 465 S CB -0.698 62.511 63.200 0.016 0.000 0.829 465 S HN 0.147 nan 8.310 nan 0.000 0.467 466 V N 1.256 121.119 119.914 -0.085 0.000 2.720 466 V HA 0.041 4.161 4.120 -0.000 0.000 0.256 466 V C 1.003 176.982 176.094 -0.191 0.000 1.082 466 V CA 0.800 63.021 62.300 -0.132 0.000 1.101 466 V CB -0.735 30.990 31.823 -0.163 0.000 0.693 466 V HN 0.463 nan 8.190 nan 0.000 0.479 467 V N 0.508 120.268 119.914 -0.257 0.000 2.398 467 V HA 0.669 4.789 4.120 -0.000 0.000 0.286 467 V C 0.906 176.936 176.094 -0.108 0.000 1.026 467 V CA -0.355 61.768 62.300 -0.295 0.000 0.868 467 V CB 0.821 32.240 31.823 -0.672 0.000 0.982 467 V HN 0.336 nan 8.190 nan 0.000 0.443 468 G N 3.671 112.425 108.800 -0.077 0.000 2.712 468 G HA2 0.258 4.218 3.960 -0.000 0.000 0.258 468 G HA3 0.258 4.218 3.960 -0.000 0.000 0.258 468 G C 0.548 175.461 174.900 0.022 0.000 1.241 468 G CA -0.031 45.059 45.100 -0.017 0.000 0.923 468 G HN 0.848 nan 8.290 nan 0.000 0.548 469 K N -1.282 119.136 120.400 0.031 0.000 2.391 469 K HA 0.145 4.465 4.320 -0.000 0.000 0.197 469 K C 1.150 177.746 176.600 -0.006 0.000 1.087 469 K CA -0.079 56.229 56.287 0.035 0.000 1.012 469 K CB -0.207 32.319 32.500 0.043 0.000 0.925 469 K HN 0.510 nan 8.250 nan 0.000 0.547 470 Q N 2.747 122.552 119.800 0.008 0.000 2.247 470 Q HA -0.018 4.322 4.340 -0.000 0.000 0.288 470 Q C -0.706 175.295 176.000 0.003 0.000 1.079 470 Q CA 0.626 56.439 55.803 0.017 0.000 0.932 470 Q CB -0.324 28.440 28.738 0.044 0.000 1.133 470 Q HN 0.477 nan 8.270 nan 0.000 0.377 471 N N 1.370 120.050 118.700 -0.034 0.000 2.735 471 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 471 N C -1.404 173.949 175.510 -0.261 0.000 1.083 471 N CA 0.196 53.225 53.050 -0.036 0.000 0.703 471 N CB -0.766 37.925 38.487 0.339 0.000 1.005 471 N HN 0.227 nan 8.380 nan 0.000 0.550 472 V N 1.637 121.263 119.914 -0.480 0.000 2.409 472 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 472 V C -0.407 175.419 176.094 -0.448 0.000 1.020 472 V CA -0.460 61.708 62.300 -0.221 0.000 0.848 472 V CB 0.782 32.624 31.823 0.031 0.000 0.990 472 V HN 0.104 nan 8.190 nan 0.000 0.430 473 Y N 3.908 124.276 120.300 0.113 0.000 2.446 473 Y HA 0.567 5.117 4.550 -0.000 0.000 0.345 473 Y C -0.056 175.825 175.900 -0.032 0.000 0.984 473 Y CA -0.839 57.270 58.100 0.015 0.000 1.058 473 Y CB 1.903 40.313 38.460 -0.083 0.000 1.220 473 Y HN 0.390 nan 8.280 nan 0.000 0.455 474 L N 4.569 125.831 121.223 0.065 0.000 2.275 474 L HA 0.414 4.754 4.340 -0.000 0.000 0.288 474 L C -1.245 175.595 176.870 -0.049 0.000 1.046 474 L CA -0.995 53.838 54.840 -0.012 0.000 0.805 474 L CB 1.091 43.126 42.059 -0.040 0.000 1.193 474 L HN 0.593 nan 8.230 nan 0.000 0.426 475 L N 5.263 126.461 121.223 -0.041 0.000 2.262 475 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 475 L C -0.905 175.940 176.870 -0.041 0.000 1.035 475 L CA 0.464 55.272 54.840 -0.053 0.000 0.820 475 L CB 1.110 43.157 42.059 -0.020 0.000 1.204 475 L HN 0.680 nan 8.230 nan 0.000 0.424 476 D N 0.606 120.981 120.400 -0.043 0.000 2.713 476 D HA 0.326 4.966 4.640 -0.000 0.000 0.306 476 D C 0.533 176.819 176.300 -0.024 0.000 1.299 476 D CA 0.405 54.386 54.000 -0.033 0.000 0.823 476 D CB 1.522 42.298 40.800 -0.039 0.000 1.353 476 D HN 0.478 nan 8.370 nan 0.000 0.447 477 T N -1.989 112.553 114.554 -0.019 0.000 3.051 477 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 477 T C 1.067 175.761 174.700 -0.009 0.000 1.085 477 T CA 0.473 62.566 62.100 -0.012 0.000 1.109 477 T CB -0.317 68.545 68.868 -0.010 0.000 0.921 477 T HN 0.356 nan 8.240 nan 0.000 0.488 478 S N 1.201 116.893 115.700 -0.013 0.000 2.584 478 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 478 S C 1.315 175.914 174.600 -0.003 0.000 1.346 478 S CA -0.319 57.876 58.200 -0.009 0.000 1.018 478 S CB 1.036 64.228 63.200 -0.014 0.000 0.899 478 S HN 0.185 nan 8.310 nan 0.000 0.542 479 S N 1.400 117.102 115.700 0.003 0.000 2.419 479 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 479 S C 2.039 176.648 174.600 0.015 0.000 1.016 479 S CA 1.243 59.450 58.200 0.011 0.000 0.974 479 S CB -0.657 62.551 63.200 0.013 0.000 0.786 479 S HN 0.979 nan 8.310 nan 0.000 0.492 480 S N 1.214 116.919 115.700 0.008 0.000 2.607 480 S HA 0.372 4.842 4.470 -0.000 0.000 0.224 480 S C 0.671 175.277 174.600 0.009 0.000 0.969 480 S CA 0.080 58.287 58.200 0.011 0.000 0.927 480 S CB -0.295 62.906 63.200 0.002 0.000 0.772 480 S HN 0.433 nan 8.310 nan 0.000 0.533 481 A N 1.608 124.428 122.820 -0.000 0.000 2.425 481 A HA 0.286 4.606 4.320 -0.000 0.000 0.249 481 A C 0.899 178.483 177.584 0.000 0.000 1.084 481 A CA -0.214 51.815 52.037 -0.013 0.000 0.781 481 A CB 0.186 19.169 19.000 -0.029 0.000 1.019 481 A HN 0.418 nan 8.150 nan 0.000 0.490 482 D N 0.978 121.371 120.400 -0.012 0.000 2.249 482 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 482 D C 0.025 176.213 176.300 -0.186 0.000 0.962 482 D CA 1.353 55.360 54.000 0.012 0.000 0.860 482 D CB 0.222 41.105 40.800 0.139 0.000 0.955 482 D HN 0.543 nan 8.370 nan 0.000 0.505 483 I N 1.559 121.950 120.570 -0.298 0.000 2.466 483 I HA 0.121 4.291 4.170 -0.000 0.000 0.279 483 I C -0.288 175.756 176.117 -0.122 0.000 1.033 483 I CA -0.485 60.619 61.300 -0.326 0.000 1.123 483 I CB 1.894 39.577 38.000 -0.528 0.000 1.237 483 I HN -0.261 nan 8.210 nan 0.000 0.460 484 Q N 6.361 126.134 119.800 -0.046 0.000 2.294 484 Q HA 0.467 4.807 4.340 -0.000 0.000 0.257 484 Q C -0.957 175.041 176.000 -0.003 0.000 0.955 484 Q CA -0.490 55.303 55.803 -0.016 0.000 0.936 484 Q CB 1.146 29.888 28.738 0.006 0.000 1.188 484 Q HN 0.612 nan 8.270 nan 0.000 0.420 485 L N 3.284 124.504 121.223 -0.006 0.000 2.436 485 L HA 0.098 4.438 4.340 -0.000 0.000 0.265 485 L C 1.348 178.224 176.870 0.010 0.000 1.168 485 L CA 0.019 54.862 54.840 0.005 0.000 0.815 485 L CB 0.835 42.893 42.059 -0.002 0.000 1.109 485 L HN 0.812 nan 8.230 nan 0.000 0.462 486 E N 0.955 121.167 120.200 0.019 0.000 2.208 486 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 486 E C 0.031 176.636 176.600 0.007 0.000 0.988 486 E CA 0.694 57.105 56.400 0.019 0.000 0.828 486 E CB 0.417 30.137 29.700 0.032 0.000 0.763 486 E HN 0.637 nan 8.360 nan 0.000 0.478 487 S N -2.606 113.094 115.700 -0.001 0.000 2.578 487 S HA 0.555 5.025 4.470 -0.000 0.000 0.272 487 S C 0.389 174.980 174.600 -0.016 0.000 1.145 487 S CA -0.488 57.706 58.200 -0.009 0.000 0.835 487 S CB 0.831 64.023 63.200 -0.014 0.000 1.104 487 S HN 0.084 nan 8.310 nan 0.000 0.458 488 A N 0.645 123.454 122.820 -0.018 0.000 2.121 488 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 488 A C 1.102 178.670 177.584 -0.027 0.000 1.154 488 A CA 1.686 53.711 52.037 -0.020 0.000 0.679 488 A CB -1.124 17.865 19.000 -0.019 0.000 0.795 488 A HN 0.991 nan 8.150 nan 0.000 0.458 489 D N -1.172 119.208 120.400 -0.033 0.000 2.402 489 D HA 0.180 4.820 4.640 -0.000 0.000 0.216 489 D C 0.496 176.756 176.300 -0.067 0.000 1.128 489 D CA -0.260 53.714 54.000 -0.044 0.000 0.833 489 D CB -0.200 40.575 40.800 -0.041 0.000 0.971 489 D HN 0.509 nan 8.370 nan 0.000 0.503 490 E N 2.211 122.373 120.200 -0.064 0.000 2.502 490 E HA 0.009 4.359 4.350 -0.000 0.000 0.261 490 E C -1.784 174.732 176.600 -0.140 0.000 0.974 490 E CA -1.635 54.705 56.400 -0.101 0.000 0.936 490 E CB 0.584 30.260 29.700 -0.040 0.000 0.926 490 E HN 0.048 nan 8.360 nan 0.000 0.459 491 P HA -0.090 nan 4.420 nan 0.000 0.266 491 P C 0.761 178.012 177.300 -0.082 0.000 1.195 491 P CA 0.436 63.396 63.100 -0.233 0.000 0.768 491 P CB 0.584 32.035 31.700 -0.415 0.000 0.838 492 I N 1.935 122.482 120.570 -0.039 0.000 2.113 492 I HA -0.368 3.802 4.170 -0.000 0.000 0.242 492 I C 2.524 178.665 176.117 0.040 0.000 1.064 492 I CA 2.609 63.906 61.300 -0.005 0.000 1.320 492 I CB -0.755 37.232 38.000 -0.022 0.000 1.028 492 I HN 0.440 nan 8.210 nan 0.000 0.406 493 S N -0.281 115.463 115.700 0.074 0.000 2.383 493 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 493 S C 1.853 176.544 174.600 0.150 0.000 1.030 493 S CA 1.390 59.649 58.200 0.099 0.000 1.002 493 S CB -1.013 62.251 63.200 0.106 0.000 0.829 493 S HN 0.551 nan 8.310 nan 0.000 0.467 494 H N 0.870 119.937 119.070 -0.005 0.000 2.389 494 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 494 H C 2.112 177.447 175.328 0.011 0.000 1.081 494 H CA 1.442 57.492 56.048 0.004 0.000 1.345 494 H CB -0.119 29.644 29.762 0.001 0.000 1.393 494 H HN 0.415 nan 8.280 nan 0.000 0.520 495 I N 0.424 121.077 120.570 0.138 0.000 2.252 495 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 495 I C 2.432 178.593 176.117 0.073 0.000 1.102 495 I CA 0.590 61.937 61.300 0.078 0.000 1.385 495 I CB -0.137 37.886 38.000 0.038 0.000 1.064 495 I HN 0.029 nan 8.210 nan 0.000 0.414 496 V N 0.684 120.633 119.914 0.059 0.000 2.332 496 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 496 V C 2.485 178.643 176.094 0.107 0.000 1.055 496 V CA 2.180 64.513 62.300 0.054 0.000 1.038 496 V CB -0.765 31.059 31.823 0.002 0.000 0.651 496 V HN 0.532 nan 8.190 nan 0.000 0.450 497 Q N -0.170 119.681 119.800 0.085 0.000 2.079 497 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 497 Q C 2.358 178.423 176.000 0.109 0.000 0.974 497 Q CA 1.564 57.417 55.803 0.084 0.000 0.840 497 Q CB -0.043 28.709 28.738 0.023 0.000 0.898 497 Q HN 0.590 nan 8.270 nan 0.000 0.430 498 K N -0.417 120.043 120.400 0.099 0.000 2.063 498 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 498 K C 2.052 178.745 176.600 0.156 0.000 1.048 498 K CA 1.593 57.945 56.287 0.108 0.000 0.928 498 K CB -0.027 32.521 32.500 0.079 0.000 0.713 498 K HN 0.104 nan 8.250 nan 0.000 0.442 499 V N 0.804 120.815 119.914 0.161 0.000 2.270 499 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 499 V C 2.294 178.596 176.094 0.346 0.000 1.043 499 V CA 1.478 63.906 62.300 0.214 0.000 1.014 499 V CB -0.405 31.559 31.823 0.235 0.000 0.645 499 V HN 0.076 nan 8.190 nan 0.000 0.447 500 V N -0.047 120.110 119.914 0.405 0.000 2.282 500 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 500 V C 2.317 178.635 176.094 0.374 0.000 1.057 500 V CA 2.148 64.763 62.300 0.525 0.000 1.032 500 V CB -0.534 31.559 31.823 0.451 0.000 0.645 500 V HN 0.455 nan 8.190 nan 0.000 0.447 501 L N -1.448 119.916 121.223 0.236 0.000 2.217 501 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 501 L C 2.304 179.258 176.870 0.140 0.000 1.107 501 L CA 1.452 56.385 54.840 0.155 0.000 0.783 501 L CB -0.537 41.579 42.059 0.095 0.000 0.919 501 L HN 0.408 nan 8.230 nan 0.000 0.442 502 F N 0.929 120.892 119.950 0.022 0.000 2.113 502 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 502 F C 2.168 177.899 175.800 -0.115 0.000 1.103 502 F CA 1.441 59.407 58.000 -0.057 0.000 1.248 502 F CB -0.095 38.847 39.000 -0.097 0.000 0.999 502 F HN -0.145 nan 8.300 nan 0.000 0.475 503 L N 0.177 121.401 121.223 0.001 0.000 2.131 503 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 503 L C 2.530 179.318 176.870 -0.137 0.000 1.092 503 L CA 1.545 56.226 54.840 -0.265 0.000 0.759 503 L CB -0.772 40.902 42.059 -0.640 0.000 0.903 503 L HN 0.302 nan 8.230 nan 0.000 0.435 504 E N 0.293 120.524 120.200 0.052 0.000 2.046 504 E HA -0.255 4.095 4.350 -0.000 0.000 0.190 504 E C 1.657 178.228 176.600 -0.048 0.000 0.982 504 E CA 1.226 57.689 56.400 0.105 0.000 0.800 504 E CB 0.095 29.935 29.700 0.234 0.000 0.756 504 E HN 0.333 nan 8.360 nan 0.000 0.449 505 D N 0.626 120.959 120.400 -0.112 0.000 2.190 505 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 505 D C 0.743 176.894 176.300 -0.249 0.000 0.992 505 D CA 1.019 54.916 54.000 -0.172 0.000 0.854 505 D CB -0.229 40.446 40.800 -0.208 0.000 0.936 505 D HN 0.100 nan 8.370 nan 0.000 0.462 506 N N -1.210 117.285 118.700 -0.342 0.000 2.276 506 N HA 0.302 5.042 4.740 -0.000 0.000 0.212 506 N C 0.951 176.218 175.510 -0.405 0.000 1.127 506 N CA 0.572 53.414 53.050 -0.346 0.000 0.834 506 N CB 0.978 39.243 38.487 -0.370 0.000 1.014 506 N HN 0.168 nan 8.380 nan 0.000 0.491 507 G N -0.038 108.585 108.800 -0.295 0.000 2.184 507 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 507 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 507 G C 0.787 175.480 174.900 -0.343 0.000 0.975 507 G CA 0.330 45.243 45.100 -0.312 0.000 0.642 507 G HN 0.390 nan 8.290 nan 0.000 0.536 508 F N -0.432 119.326 119.950 -0.319 0.000 2.293 508 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 508 F C 1.193 176.803 175.800 -0.318 0.000 1.086 508 F CA 0.765 58.535 58.000 -0.383 0.000 1.375 508 F CB -0.085 38.480 39.000 -0.724 0.000 1.045 508 F HN 0.115 nan 8.300 nan 0.000 0.516 509 F N -1.083 118.855 119.950 -0.019 0.000 2.546 509 F HA 0.625 5.152 4.527 -0.000 0.000 0.320 509 F C -0.367 175.190 175.800 -0.406 0.000 1.076 509 F CA -2.225 55.615 58.000 -0.267 0.000 0.928 509 F CB 1.491 40.303 39.000 -0.312 0.000 1.189 509 F HN -0.588 nan 8.300 nan 0.000 0.465 510 V N 3.762 123.402 119.914 -0.458 0.000 2.610 510 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 510 V C -0.845 174.908 176.094 -0.568 0.000 1.067 510 V CA -0.837 61.248 62.300 -0.358 0.000 0.894 510 V CB 1.377 33.104 31.823 -0.160 0.000 1.015 510 V HN 0.531 nan 8.190 nan 0.000 0.432 511 F N 0.000 119.922 119.950 -0.047 0.000 2.286 511 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 511 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 511 F CB 0.000 38.935 39.000 -0.109 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574