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 2c00_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLEKVLIANR GEIALRILRA CKELGIKTVA VHSTADRELM HLSLADESVC DATA SEQUENCE IGPAPATQSY LQIPAIIAAA EVTGATAIHP GYGFLAENAD FAEQIERSGF DATA SEQUENCE TFVGPTAEVI RLMGDKVSAK DAMKRAGVPT VPGSDGPLPE DEETALAIAR DATA SEQUENCE EVGYPVIIKA AGXXXGRGMR VVYDESELIK SAKLTRTEAG XXFGNPMVYL DATA SEQUENCE EKFLTNPRHV EVQVLSDGQG NAIHLGDRDC SLQRRHQKVI EEAPAPGIDE DATA SEQUENCE KARQEVFARC VQACIEIGYR GAGTFEFLYE NGRFYFIEMN TRVQVEHPVS DATA SEQUENCE EMVTGVDIVK EMLRIASGEK LSIRQEDVVI RGHALECRIN AEDPKTFMPS DATA SEQUENCE PGKVKHFHAP GGNGVRVDSH LYSGYSVPPN YDSLVGKVIT YGADRDEALA DATA SEQUENCE RMRNALDELI VDGIKTNTEL HKDLVRDAAF CKGGVNIHYL EKKLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 L N 3.154 124.379 121.223 0.002 0.000 2.540 2 L HA 0.055 4.395 4.340 0.000 0.000 0.276 2 L C 1.249 178.126 176.870 0.013 0.000 1.212 2 L CA 0.263 55.109 54.840 0.009 0.000 0.893 2 L CB 0.293 42.357 42.059 0.009 0.000 1.138 2 L HN 0.932 nan 8.230 nan 0.000 0.491 3 E N 3.698 123.909 120.200 0.018 0.000 2.028 3 E HA -0.086 4.265 4.350 0.000 0.000 0.190 3 E C 0.336 176.950 176.600 0.024 0.000 0.984 3 E CA 1.356 57.768 56.400 0.019 0.000 0.800 3 E CB 0.290 30.002 29.700 0.021 0.000 0.758 3 E HN 0.488 nan 8.360 nan 0.000 0.448 4 K N -0.153 120.268 120.400 0.034 0.000 2.553 4 K HA 0.399 4.719 4.320 0.000 0.000 0.250 4 K C -1.943 174.682 176.600 0.042 0.000 0.953 4 K CA -0.711 55.598 56.287 0.037 0.000 0.800 4 K CB 2.078 34.605 32.500 0.044 0.000 1.243 4 K HN -0.001 nan 8.250 nan 0.000 0.435 5 V N 5.509 125.441 119.914 0.031 0.000 2.417 5 V HA 0.378 4.498 4.120 0.000 0.000 0.291 5 V C -0.299 175.809 176.094 0.023 0.000 1.024 5 V CA -0.937 61.380 62.300 0.029 0.000 0.861 5 V CB 1.528 33.369 31.823 0.030 0.000 0.985 5 V HN 0.733 nan 8.190 nan 0.000 0.436 6 L N 6.437 127.668 121.223 0.013 0.000 2.276 6 L HA 0.566 4.906 4.340 0.000 0.000 0.286 6 L C -0.390 176.495 176.870 0.025 0.000 1.061 6 L CA -0.221 54.625 54.840 0.010 0.000 0.807 6 L CB 0.834 42.879 42.059 -0.024 0.000 1.177 6 L HN 0.559 nan 8.230 nan 0.000 0.429 7 I N 6.218 126.801 120.570 0.022 0.000 2.269 7 I HA 0.219 4.389 4.170 0.000 0.000 0.293 7 I C 0.602 176.713 176.117 -0.009 0.000 1.106 7 I CA -0.091 61.202 61.300 -0.011 0.000 1.248 7 I CB 1.138 39.107 38.000 -0.052 0.000 1.444 7 I HN 0.712 nan 8.210 nan 0.000 0.497 8 A N 6.226 129.052 122.820 0.010 0.000 3.091 8 A HA 0.393 4.713 4.320 0.000 0.000 0.264 8 A C 0.098 177.616 177.584 -0.111 0.000 1.673 8 A CA 0.007 52.045 52.037 0.002 0.000 1.362 8 A CB -0.513 18.544 19.000 0.095 0.000 1.137 8 A HN 0.773 nan 8.150 nan 0.000 0.617 9 N N 0.071 118.642 118.700 -0.216 0.000 3.395 9 N HA 0.353 5.093 4.740 0.000 0.000 0.293 9 N C -1.027 174.156 175.510 -0.545 0.000 1.489 9 N CA -0.377 52.386 53.050 -0.479 0.000 0.871 9 N CB 1.161 39.428 38.487 -0.367 0.000 1.649 9 N HN 0.668 nan 8.380 nan 0.000 0.501 10 R N -0.749 119.349 120.500 -0.670 0.000 2.906 10 R HA 0.769 5.109 4.340 0.000 0.000 0.258 10 R C 0.601 176.582 176.300 -0.532 0.000 1.156 10 R CA -0.063 55.694 56.100 -0.572 0.000 0.996 10 R CB 0.134 29.940 30.300 -0.824 0.000 1.259 10 R HN 0.694 nan 8.270 nan 0.000 0.462 11 G N 0.916 109.397 108.800 -0.532 0.000 2.566 11 G HA2 -0.455 3.505 3.960 0.000 0.000 0.280 11 G HA3 -0.455 3.505 3.960 0.000 0.000 0.280 11 G C 0.624 175.109 174.900 -0.692 0.000 1.225 11 G CA 0.972 45.558 45.100 -0.857 0.000 0.966 11 G HN 0.979 nan 8.290 nan 0.000 0.560 12 E N -0.382 119.580 120.200 -0.397 0.000 2.107 12 E HA 0.114 4.464 4.350 0.000 0.000 0.191 12 E C 2.479 179.001 176.600 -0.130 0.000 0.982 12 E CA 1.840 58.208 56.400 -0.053 0.000 0.809 12 E CB -0.143 29.661 29.700 0.172 0.000 0.756 12 E HN 0.723 nan 8.360 nan 0.000 0.459 13 I N 1.123 121.567 120.570 -0.211 0.000 2.315 13 I HA -0.054 4.116 4.170 0.000 0.000 0.248 13 I C 2.221 178.111 176.117 -0.378 0.000 1.117 13 I CA 1.206 62.336 61.300 -0.282 0.000 1.404 13 I CB -0.761 36.858 38.000 -0.636 0.000 1.071 13 I HN 0.235 nan 8.210 nan 0.000 0.419 14 A N 0.191 122.712 122.820 -0.499 0.000 1.883 14 A HA -0.238 4.082 4.320 0.000 0.000 0.217 14 A C 2.271 179.525 177.584 -0.549 0.000 1.186 14 A CA 2.131 53.780 52.037 -0.647 0.000 0.624 14 A CB -1.231 17.112 19.000 -1.095 0.000 0.822 14 A HN 0.493 nan 8.150 nan 0.000 0.444 15 L N -0.342 120.623 121.223 -0.430 0.000 2.083 15 L HA -0.116 4.224 4.340 0.000 0.000 0.209 15 L C 2.399 179.197 176.870 -0.119 0.000 1.083 15 L CA 2.495 57.227 54.840 -0.179 0.000 0.752 15 L CB -0.629 41.389 42.059 -0.068 0.000 0.899 15 L HN 0.435 nan 8.230 nan 0.000 0.433 16 R N 0.104 120.532 120.500 -0.121 0.000 2.080 16 R HA -0.154 4.187 4.340 0.000 0.000 0.236 16 R C 2.137 178.369 176.300 -0.112 0.000 1.137 16 R CA 2.339 58.401 56.100 -0.065 0.000 0.943 16 R CB -0.819 29.482 30.300 0.000 0.000 0.846 16 R HN 0.507 nan 8.270 nan 0.000 0.431 17 I N 0.293 120.733 120.570 -0.217 0.000 2.226 17 I HA -0.239 3.931 4.170 0.000 0.000 0.245 17 I C 2.357 178.387 176.117 -0.145 0.000 1.100 17 I CA 1.160 62.302 61.300 -0.263 0.000 1.374 17 I CB -0.342 37.384 38.000 -0.458 0.000 1.057 17 I HN 0.228 nan 8.210 nan 0.000 0.413 18 L N 0.812 121.962 121.223 -0.122 0.000 2.013 18 L HA -0.280 4.060 4.340 0.000 0.000 0.212 18 L C 2.816 179.667 176.870 -0.031 0.000 1.073 18 L CA 1.736 56.548 54.840 -0.048 0.000 0.753 18 L CB -0.283 41.775 42.059 -0.002 0.000 0.890 18 L HN 0.111 nan 8.230 nan 0.000 0.432 19 R N -0.442 120.038 120.500 -0.034 0.000 2.083 19 R HA -0.170 4.170 4.340 0.000 0.000 0.237 19 R C 2.358 178.647 176.300 -0.018 0.000 1.137 19 R CA 1.428 57.517 56.100 -0.018 0.000 0.951 19 R CB -0.684 29.609 30.300 -0.012 0.000 0.851 19 R HN 0.565 nan 8.270 nan 0.000 0.434 20 A N 0.602 123.405 122.820 -0.028 0.000 1.908 20 A HA -0.213 4.108 4.320 0.000 0.000 0.218 20 A C 2.416 179.992 177.584 -0.014 0.000 1.181 20 A CA 1.617 53.642 52.037 -0.020 0.000 0.627 20 A CB -0.924 18.059 19.000 -0.028 0.000 0.818 20 A HN 0.479 nan 8.150 nan 0.000 0.445 21 C N -0.740 118.550 119.300 -0.018 0.000 2.432 21 C HA -0.097 4.363 4.460 0.000 0.000 0.277 21 C C 2.736 177.724 174.990 -0.004 0.000 1.249 21 C CA 1.384 60.398 59.018 -0.007 0.000 1.725 21 C CB -1.086 26.649 27.740 -0.007 0.000 2.028 21 C HN 0.635 nan 8.230 nan 0.000 0.477 22 K N 0.613 121.009 120.400 -0.005 0.000 2.063 22 K HA -0.181 4.139 4.320 0.000 0.000 0.208 22 K C 1.888 178.486 176.600 -0.003 0.000 1.048 22 K CA 1.500 57.785 56.287 -0.003 0.000 0.928 22 K CB -0.257 32.241 32.500 -0.003 0.000 0.713 22 K HN 0.599 nan 8.250 nan 0.000 0.442 23 E N 0.604 120.802 120.200 -0.004 0.000 2.118 23 E HA -0.158 4.192 4.350 0.000 0.000 0.195 23 E C 1.595 178.193 176.600 -0.002 0.000 0.992 23 E CA 0.882 57.281 56.400 -0.003 0.000 0.804 23 E CB -0.001 29.697 29.700 -0.003 0.000 0.741 23 E HN 0.274 nan 8.360 nan 0.000 0.458 24 L N -0.442 120.780 121.223 -0.002 0.000 2.591 24 L HA 0.159 4.499 4.340 0.000 0.000 0.228 24 L C 1.156 178.026 176.870 -0.000 0.000 1.133 24 L CA 0.189 55.028 54.840 -0.002 0.000 0.880 24 L CB 0.129 42.187 42.059 -0.001 0.000 1.033 24 L HN 0.241 nan 8.230 nan 0.000 0.450 25 G N 1.278 110.078 108.800 -0.000 0.000 2.176 25 G HA2 -0.287 3.673 3.960 0.000 0.000 0.252 25 G HA3 -0.287 3.673 3.960 0.000 0.000 0.252 25 G C 0.120 175.022 174.900 0.003 0.000 1.024 25 G CA -0.065 45.036 45.100 0.001 0.000 0.755 25 G HN 0.328 nan 8.290 nan 0.000 0.507 26 I N 0.211 120.783 120.570 0.004 0.000 2.365 26 I HA 0.297 4.468 4.170 0.000 0.000 0.291 26 I C 0.838 176.960 176.117 0.009 0.000 1.004 26 I CA -0.672 60.632 61.300 0.007 0.000 1.311 26 I CB 1.142 39.147 38.000 0.008 0.000 1.401 26 I HN -0.029 nan 8.210 nan 0.000 0.491 27 K N 3.891 124.298 120.400 0.012 0.000 2.295 27 K HA 0.299 4.619 4.320 0.000 0.000 0.270 27 K C 0.010 176.620 176.600 0.016 0.000 1.011 27 K CA -0.252 56.042 56.287 0.013 0.000 0.953 27 K CB 0.783 33.292 32.500 0.015 0.000 0.956 27 K HN 0.693 nan 8.250 nan 0.000 0.477 28 T N -1.882 112.682 114.554 0.016 0.000 2.856 28 T HA 0.540 4.891 4.350 0.000 0.000 0.283 28 T C -0.476 174.238 174.700 0.024 0.000 1.008 28 T CA -0.949 61.164 62.100 0.021 0.000 0.997 28 T CB 1.287 70.169 68.868 0.023 0.000 0.992 28 T HN 0.142 nan 8.240 nan 0.000 0.454 29 V N 1.841 121.772 119.914 0.029 0.000 2.444 29 V HA 0.741 4.861 4.120 0.000 0.000 0.294 29 V C 0.342 176.465 176.094 0.049 0.000 1.022 29 V CA -1.031 61.287 62.300 0.030 0.000 0.850 29 V CB 1.092 32.928 31.823 0.022 0.000 0.992 29 V HN 1.310 nan 8.190 nan 0.000 0.426 30 A N 4.699 127.555 122.820 0.059 0.000 2.306 30 A HA 0.887 5.207 4.320 0.000 0.000 0.314 30 A C -0.221 177.424 177.584 0.102 0.000 1.164 30 A CA -0.484 51.622 52.037 0.114 0.000 0.822 30 A CB 1.372 20.382 19.000 0.017 0.000 1.130 30 A HN 1.409 nan 8.150 nan 0.000 0.496 31 V N 0.886 120.875 119.914 0.124 0.000 2.715 31 V HA 0.932 5.052 4.120 0.000 0.000 0.310 31 V C -0.667 175.514 176.094 0.144 0.000 1.054 31 V CA -0.540 61.788 62.300 0.047 0.000 0.928 31 V CB 1.079 32.882 31.823 -0.034 0.000 1.007 31 V HN 1.347 nan 8.190 nan 0.000 0.437 32 H N 0.805 119.829 119.070 -0.077 0.000 3.037 32 H HA 0.817 5.373 4.556 0.000 0.000 0.355 32 H C -0.266 174.894 175.328 -0.281 0.000 1.263 32 H CA -0.101 55.900 56.048 -0.078 0.000 1.129 32 H CB 1.230 31.002 29.762 0.017 0.000 1.861 32 H HN 0.995 nan 8.280 nan 0.000 0.546 33 S N -0.087 115.456 115.700 -0.262 0.000 2.655 33 S HA 0.124 4.594 4.470 0.000 0.000 0.265 33 S C 1.263 175.927 174.600 0.108 0.000 1.240 33 S CA -0.038 58.052 58.200 -0.183 0.000 0.986 33 S CB 0.914 64.088 63.200 -0.042 0.000 0.985 33 S HN 1.050 nan 8.310 nan 0.000 0.562 34 T N -2.145 112.449 114.554 0.068 0.000 2.881 34 T HA -0.017 4.334 4.350 0.000 0.000 0.270 34 T C 1.768 176.565 174.700 0.162 0.000 1.068 34 T CA 0.931 63.103 62.100 0.120 0.000 1.131 34 T CB -0.876 68.026 68.868 0.057 0.000 0.871 34 T HN 0.877 nan 8.240 nan 0.000 0.479 35 A N 1.209 124.147 122.820 0.198 0.000 2.119 35 A HA 0.099 4.420 4.320 0.000 0.000 0.216 35 A C 1.680 179.429 177.584 0.275 0.000 1.152 35 A CA 0.861 53.028 52.037 0.216 0.000 0.708 35 A CB -0.180 18.961 19.000 0.236 0.000 0.805 35 A HN 0.405 nan 8.150 nan 0.000 0.460 36 D N -0.745 119.841 120.400 0.310 0.000 2.463 36 D HA 0.137 4.777 4.640 0.000 0.000 0.224 36 D C 1.420 177.801 176.300 0.136 0.000 1.174 36 D CA -0.060 54.111 54.000 0.284 0.000 0.829 36 D CB 0.036 41.023 40.800 0.312 0.000 0.993 36 D HN 0.391 nan 8.370 nan 0.000 0.497 37 R N 0.361 120.917 120.500 0.092 0.000 2.152 37 R HA -0.064 4.276 4.340 0.000 0.000 0.232 37 R C 1.105 177.382 176.300 -0.037 0.000 1.117 37 R CA 0.816 56.863 56.100 -0.088 0.000 0.981 37 R CB 0.057 30.365 30.300 0.014 0.000 0.870 37 R HN 0.284 nan 8.270 nan 0.000 0.451 38 E N 0.705 120.983 120.200 0.130 0.000 2.489 38 E HA 0.074 4.424 4.350 0.000 0.000 0.193 38 E C -0.004 176.797 176.600 0.335 0.000 1.057 38 E CA -0.212 56.349 56.400 0.270 0.000 0.866 38 E CB 0.187 30.116 29.700 0.383 0.000 0.916 38 E HN 0.236 nan 8.360 nan 0.000 0.500 39 L N 1.656 122.993 121.223 0.189 0.000 2.540 39 L HA -0.030 4.310 4.340 0.000 0.000 0.276 39 L C 1.643 178.545 176.870 0.052 0.000 1.212 39 L CA 0.020 54.936 54.840 0.126 0.000 0.893 39 L CB 0.451 42.574 42.059 0.106 0.000 1.138 39 L HN 0.220 nan 8.230 nan 0.000 0.491 40 M N 3.669 123.326 119.600 0.095 0.000 2.106 40 M HA -0.245 4.236 4.480 0.000 0.000 0.259 40 M C 2.237 178.523 176.300 -0.023 0.000 1.068 40 M CA 1.967 57.270 55.300 0.004 0.000 1.100 40 M CB -0.259 32.368 32.600 0.045 0.000 1.351 40 M HN 0.790 nan 8.290 nan 0.000 0.404 41 H N 0.118 119.147 119.070 -0.068 0.000 2.524 41 H HA -0.052 4.504 4.556 0.000 0.000 0.282 41 H C 1.800 177.087 175.328 -0.068 0.000 1.016 41 H CA 1.155 57.160 56.048 -0.072 0.000 1.270 41 H CB -0.855 28.857 29.762 -0.082 0.000 1.394 41 H HN 0.471 nan 8.280 nan 0.000 0.568 42 L N 1.416 122.284 121.223 -0.592 0.000 1.989 42 L HA -0.190 4.150 4.340 0.000 0.000 0.211 42 L C 2.874 179.602 176.870 -0.237 0.000 1.071 42 L CA 1.979 56.525 54.840 -0.491 0.000 0.749 42 L CB -0.712 41.086 42.059 -0.436 0.000 0.890 42 L HN 0.390 nan 8.230 nan 0.000 0.431 43 S N -0.501 115.093 115.700 -0.176 0.000 2.555 43 S HA -0.015 4.455 4.470 0.000 0.000 0.230 43 S C 1.728 176.277 174.600 -0.086 0.000 0.978 43 S CA 0.451 58.582 58.200 -0.116 0.000 0.934 43 S CB -0.356 62.779 63.200 -0.109 0.000 0.766 43 S HN 0.389 nan 8.310 nan 0.000 0.533 44 L N 0.850 122.026 121.223 -0.078 0.000 2.446 44 L HA 0.368 4.708 4.340 0.000 0.000 0.219 44 L C 1.504 178.358 176.870 -0.026 0.000 1.116 44 L CA 0.138 54.953 54.840 -0.041 0.000 0.844 44 L CB -0.521 41.526 42.059 -0.019 0.000 0.970 44 L HN 0.360 nan 8.230 nan 0.000 0.457 45 A N -0.070 122.727 122.820 -0.039 0.000 2.351 45 A HA 0.082 4.403 4.320 0.000 0.000 0.257 45 A C 0.691 178.264 177.584 -0.018 0.000 1.087 45 A CA -0.349 51.678 52.037 -0.017 0.000 0.798 45 A CB 0.303 19.289 19.000 -0.024 0.000 1.033 45 A HN 0.138 nan 8.150 nan 0.000 0.488 46 D N 0.294 120.692 120.400 -0.004 0.000 2.149 46 D HA -0.008 4.632 4.640 0.000 0.000 0.201 46 D C 0.155 176.454 176.300 -0.002 0.000 0.972 46 D CA 1.356 55.355 54.000 -0.003 0.000 0.835 46 D CB 0.357 41.160 40.800 0.004 0.000 0.966 46 D HN 0.733 nan 8.370 nan 0.000 0.476 47 E N -0.577 119.624 120.200 0.001 0.000 2.367 47 E HA 0.456 4.806 4.350 0.000 0.000 0.273 47 E C -1.257 175.348 176.600 0.008 0.000 0.903 47 E CA -0.543 55.860 56.400 0.005 0.000 0.764 47 E CB 2.800 32.507 29.700 0.012 0.000 1.252 47 E HN -0.212 nan 8.360 nan 0.000 0.446 48 S N 1.225 116.936 115.700 0.018 0.000 2.571 48 S HA 0.535 5.006 4.470 0.000 0.000 0.284 48 S C -1.507 173.135 174.600 0.070 0.000 1.128 48 S CA -0.561 57.670 58.200 0.052 0.000 0.970 48 S CB 1.160 64.379 63.200 0.031 0.000 1.039 48 S HN 0.235 nan 8.310 nan 0.000 0.485 49 V N 3.760 123.702 119.914 0.047 0.000 2.531 49 V HA 0.462 4.583 4.120 0.000 0.000 0.301 49 V C 0.065 175.985 176.094 -0.289 0.000 1.034 49 V CA -0.993 61.272 62.300 -0.058 0.000 0.865 49 V CB 1.356 33.140 31.823 -0.064 0.000 0.995 49 V HN 1.000 nan 8.190 nan 0.000 0.424 50 C N 6.907 125.981 119.300 -0.376 0.000 2.349 50 C HA 0.457 4.917 4.460 0.000 0.000 0.348 50 C C 1.603 176.366 174.990 -0.379 0.000 1.223 50 C CA -0.371 58.246 59.018 -0.667 0.000 1.746 50 C CB -1.418 26.095 27.740 -0.379 0.000 2.360 50 C HN 0.889 nan 8.230 nan 0.000 0.533 51 I N 4.210 124.534 120.570 -0.410 0.000 3.883 51 I HA 0.526 4.696 4.170 0.000 0.000 0.326 51 I C 0.845 176.819 176.117 -0.239 0.000 1.283 51 I CA 0.431 61.563 61.300 -0.280 0.000 1.161 51 I CB -0.378 37.452 38.000 -0.282 0.000 1.012 51 I HN 0.739 nan 8.210 nan 0.000 0.421 52 G N 1.400 110.054 108.800 -0.244 0.000 2.324 52 G HA2 0.251 4.211 3.960 0.000 0.000 0.293 52 G HA3 0.251 4.211 3.960 0.000 0.000 0.293 52 G C -3.323 171.501 174.900 -0.125 0.000 1.297 52 G CA -0.682 44.320 45.100 -0.163 0.000 0.853 52 G HN -0.097 nan 8.290 nan 0.000 0.535 53 P HA 0.448 nan 4.420 nan 0.000 0.279 53 P C 1.150 178.462 177.300 0.019 0.000 1.282 53 P CA 0.721 63.810 63.100 -0.018 0.000 0.788 53 P CB 0.941 32.637 31.700 -0.008 0.000 1.139 54 A N 0.029 122.886 122.820 0.060 0.000 1.865 54 A HA -0.023 4.297 4.320 0.000 0.000 0.217 54 A C -1.127 176.565 177.584 0.180 0.000 1.191 54 A CA 1.495 53.610 52.037 0.130 0.000 0.623 54 A CB -2.653 16.376 19.000 0.048 0.000 0.826 54 A HN 0.531 nan 8.150 nan 0.000 0.444 55 P HA 0.223 nan 4.420 nan 0.000 0.264 55 P C 0.618 178.056 177.300 0.230 0.000 1.193 55 P CA 0.737 63.915 63.100 0.129 0.000 0.763 55 P CB 0.924 32.665 31.700 0.068 0.000 0.810 56 A N 3.581 126.625 122.820 0.374 0.000 1.940 56 A HA -0.191 4.129 4.320 0.000 0.000 0.219 56 A C 1.952 179.694 177.584 0.263 0.000 1.176 56 A CA 2.402 54.720 52.037 0.469 0.000 0.631 56 A CB -1.862 17.527 19.000 0.649 0.000 0.814 56 A HN 0.602 nan 8.150 nan 0.000 0.446 57 T N -2.529 112.131 114.554 0.176 0.000 2.929 57 T HA -0.129 4.221 4.350 0.000 0.000 0.271 57 T C 1.418 176.154 174.700 0.060 0.000 1.085 57 T CA 1.578 63.740 62.100 0.104 0.000 1.125 57 T CB -0.275 68.638 68.868 0.074 0.000 0.874 57 T HN 0.645 nan 8.240 nan 0.000 0.494 58 Q N 0.486 120.317 119.800 0.051 0.000 2.219 58 Q HA 0.301 4.641 4.340 0.000 0.000 0.209 58 Q C 1.469 177.443 176.000 -0.044 0.000 0.854 58 Q CA 0.250 56.057 55.803 0.005 0.000 0.960 58 Q CB 0.732 29.474 28.738 0.007 0.000 1.116 58 Q HN 0.760 nan 8.270 nan 0.000 0.500 59 S N -1.829 113.832 115.700 -0.066 0.000 4.585 59 S HA 0.036 4.506 4.470 0.000 0.000 0.155 59 S C 1.187 175.632 174.600 -0.258 0.000 0.954 59 S CA -0.298 57.764 58.200 -0.231 0.000 1.213 59 S CB -0.626 62.338 63.200 -0.394 0.000 1.901 59 S HN 0.171 nan 8.310 nan 0.000 0.805 60 Y N 2.347 122.567 120.300 -0.133 0.000 2.403 60 Y HA 0.310 4.860 4.550 0.000 0.000 0.291 60 Y C 1.934 177.736 175.900 -0.163 0.000 1.143 60 Y CA 0.763 58.698 58.100 -0.275 0.000 1.257 60 Y CB -0.486 37.568 38.460 -0.678 0.000 0.984 60 Y HN 0.236 nan 8.280 nan 0.000 0.550 61 L N -0.293 120.987 121.223 0.095 0.000 2.607 61 L HA 0.079 4.419 4.340 0.000 0.000 0.228 61 L C 0.374 177.222 176.870 -0.037 0.000 1.123 61 L CA 0.016 54.886 54.840 0.050 0.000 0.890 61 L CB -0.029 42.105 42.059 0.125 0.000 1.103 61 L HN -0.015 nan 8.230 nan 0.000 0.468 62 Q N 1.004 120.769 119.800 -0.059 0.000 2.389 62 Q HA 0.197 4.537 4.340 0.000 0.000 0.244 62 Q C 1.220 177.178 176.000 -0.071 0.000 1.056 62 Q CA 0.103 55.873 55.803 -0.055 0.000 0.908 62 Q CB 1.441 30.146 28.738 -0.055 0.000 1.273 62 Q HN 0.426 nan 8.270 nan 0.000 0.471 63 I N 3.513 124.055 120.570 -0.047 0.000 2.163 63 I HA -0.263 3.908 4.170 0.000 0.000 0.243 63 I C -0.702 175.454 176.117 0.064 0.000 1.085 63 I CA 1.147 62.459 61.300 0.020 0.000 1.347 63 I CB -1.250 36.819 38.000 0.115 0.000 1.044 63 I HN 0.394 nan 8.210 nan 0.000 0.408 64 P HA -0.199 nan 4.420 nan 0.000 0.216 64 P C 1.508 178.819 177.300 0.018 0.000 1.153 64 P CA 1.956 65.078 63.100 0.037 0.000 0.858 64 P CB -0.043 31.670 31.700 0.021 0.000 0.789 65 A N -0.468 122.343 122.820 -0.014 0.000 1.877 65 A HA -0.170 4.150 4.320 0.000 0.000 0.216 65 A C 2.176 179.738 177.584 -0.037 0.000 1.186 65 A CA 1.453 53.465 52.037 -0.041 0.000 0.620 65 A CB -1.472 17.478 19.000 -0.083 0.000 0.822 65 A HN 0.033 nan 8.150 nan 0.000 0.443 66 I N -0.274 120.279 120.570 -0.029 0.000 2.202 66 I HA -0.203 3.967 4.170 0.000 0.000 0.242 66 I C 2.441 178.564 176.117 0.011 0.000 1.091 66 I CA 1.344 62.639 61.300 -0.008 0.000 1.368 66 I CB -1.060 36.951 38.000 0.017 0.000 1.058 66 I HN 0.293 nan 8.210 nan 0.000 0.410 67 I N 0.911 121.515 120.570 0.056 0.000 2.252 67 I HA -0.250 3.920 4.170 0.000 0.000 0.245 67 I C 2.741 178.894 176.117 0.060 0.000 1.102 67 I CA 1.222 62.544 61.300 0.037 0.000 1.385 67 I CB -0.290 37.781 38.000 0.118 0.000 1.064 67 I HN 0.117 nan 8.210 nan 0.000 0.414 68 A N 0.634 123.484 122.820 0.050 0.000 1.908 68 A HA -0.224 4.097 4.320 0.000 0.000 0.218 68 A C 2.514 180.117 177.584 0.032 0.000 1.181 68 A CA 1.974 54.038 52.037 0.046 0.000 0.627 68 A CB -0.873 18.139 19.000 0.021 0.000 0.818 68 A HN 0.443 nan 8.150 nan 0.000 0.445 69 A N -0.279 122.542 122.820 0.001 0.000 1.933 69 A HA 0.182 4.502 4.320 0.000 0.000 0.218 69 A C 2.495 180.081 177.584 0.004 0.000 1.175 69 A CA 2.019 54.050 52.037 -0.010 0.000 0.628 69 A CB -0.961 18.017 19.000 -0.037 0.000 0.814 69 A HN 1.052 nan 8.150 nan 0.000 0.444 70 A N -0.340 122.463 122.820 -0.027 0.000 1.902 70 A HA -0.171 4.149 4.320 0.000 0.000 0.217 70 A C 1.954 179.640 177.584 0.170 0.000 1.181 70 A CA 1.783 53.790 52.037 -0.050 0.000 0.623 70 A CB -0.498 18.204 19.000 -0.497 0.000 0.818 70 A HN 0.609 nan 8.150 nan 0.000 0.443 71 E N -0.570 119.770 120.200 0.233 0.000 2.047 71 E HA -0.097 4.253 4.350 0.000 0.000 0.191 71 E C 1.999 178.672 176.600 0.123 0.000 0.987 71 E CA 1.180 57.724 56.400 0.239 0.000 0.799 71 E CB -0.178 29.644 29.700 0.204 0.000 0.752 71 E HN 0.347 nan 8.360 nan 0.000 0.449 72 V N 1.118 121.080 119.914 0.080 0.000 2.332 72 V HA -0.272 3.848 4.120 0.000 0.000 0.248 72 V C 2.506 178.629 176.094 0.048 0.000 1.055 72 V CA 2.236 64.565 62.300 0.049 0.000 1.038 72 V CB -0.877 30.963 31.823 0.028 0.000 0.651 72 V HN 0.521 nan 8.190 nan 0.000 0.450 73 T N -2.694 111.892 114.554 0.055 0.000 3.081 73 T HA 0.249 4.599 4.350 0.000 0.000 0.255 73 T C 1.519 176.257 174.700 0.064 0.000 1.113 73 T CA 0.787 62.916 62.100 0.048 0.000 1.082 73 T CB 0.353 69.243 68.868 0.037 0.000 0.939 73 T HN 1.041 nan 8.240 nan 0.000 0.506 74 G N 1.545 110.402 108.800 0.096 0.000 2.176 74 G HA2 -0.025 3.936 3.960 0.000 0.000 0.252 74 G HA3 -0.025 3.936 3.960 0.000 0.000 0.252 74 G C 0.245 175.225 174.900 0.132 0.000 1.024 74 G CA -0.094 45.069 45.100 0.104 0.000 0.755 74 G HN 1.180 nan 8.290 nan 0.000 0.507 75 A N -0.190 122.730 122.820 0.166 0.000 2.498 75 A HA 0.632 4.952 4.320 0.000 0.000 0.239 75 A C 1.608 179.358 177.584 0.276 0.000 1.068 75 A CA 1.473 53.602 52.037 0.153 0.000 0.766 75 A CB 0.295 19.335 19.000 0.067 0.000 1.003 75 A HN 1.577 nan 8.150 nan 0.000 0.497 76 T N -1.078 113.592 114.554 0.194 0.000 3.014 76 T HA 0.543 4.893 4.350 0.000 0.000 0.250 76 T C 0.473 175.314 174.700 0.234 0.000 1.060 76 T CA 0.672 62.903 62.100 0.219 0.000 1.040 76 T CB -0.020 68.908 68.868 0.100 0.000 0.971 76 T HN 1.631 nan 8.240 nan 0.000 0.497 77 A N 0.648 123.551 122.820 0.139 0.000 2.539 77 A HA 0.786 5.107 4.320 0.000 0.000 0.296 77 A C -1.453 176.132 177.584 0.001 0.000 1.073 77 A CA -1.017 51.063 52.037 0.072 0.000 0.700 77 A CB 1.296 20.312 19.000 0.026 0.000 1.296 77 A HN 0.398 nan 8.150 nan 0.000 0.405 78 I N 1.900 122.452 120.570 -0.031 0.000 2.466 78 I HA 0.306 4.476 4.170 0.000 0.000 0.289 78 I C -0.912 175.168 176.117 -0.061 0.000 1.026 78 I CA -0.537 60.752 61.300 -0.018 0.000 1.078 78 I CB 1.894 39.894 38.000 -0.000 0.000 1.249 78 I HN 0.712 nan 8.210 nan 0.000 0.429 79 H N 8.606 127.614 119.070 -0.103 0.000 2.541 79 H HA 0.353 4.909 4.556 0.000 0.000 0.316 79 H C -2.121 173.149 175.328 -0.097 0.000 1.043 79 H CA -2.266 53.681 56.048 -0.169 0.000 1.232 79 H CB 2.082 31.755 29.762 -0.147 0.000 1.406 79 H HN 0.320 nan 8.280 nan 0.000 0.469 80 P HA 0.107 nan 4.420 nan 0.000 0.255 80 P C 0.844 178.226 177.300 0.137 0.000 1.248 80 P CA 0.933 64.159 63.100 0.209 0.000 0.807 80 P CB 0.836 32.727 31.700 0.320 0.000 1.150 81 G N 1.155 110.074 108.800 0.197 0.000 2.574 81 G HA2 -0.254 3.707 3.960 0.000 0.000 0.286 81 G HA3 -0.254 3.707 3.960 0.000 0.000 0.286 81 G C -0.636 174.301 174.900 0.063 0.000 1.212 81 G CA 0.492 45.564 45.100 -0.046 0.000 0.979 81 G HN 0.456 nan 8.290 nan 0.000 0.557 82 Y N -0.993 119.351 120.300 0.073 0.000 2.524 82 Y HA 0.688 5.239 4.550 0.000 0.000 0.344 82 Y C 0.864 176.802 175.900 0.063 0.000 1.012 82 Y CA -0.473 57.668 58.100 0.068 0.000 1.068 82 Y CB 1.103 39.590 38.460 0.046 0.000 1.249 82 Y HN 2.582 nan 8.280 nan 0.000 0.468 83 G N 1.727 110.676 108.800 0.249 0.000 2.697 83 G HA2 -0.211 3.750 3.960 0.000 0.000 0.240 83 G HA3 -0.211 3.750 3.960 0.000 0.000 0.240 83 G C -0.025 174.918 174.900 0.071 0.000 1.346 83 G CA 0.297 45.425 45.100 0.046 0.000 0.887 83 G HN 1.311 nan 8.290 nan 0.000 0.569 84 F N -2.098 117.855 119.950 0.006 0.000 2.636 84 F HA -0.323 4.204 4.527 0.000 0.000 0.222 84 F C 2.337 178.126 175.800 -0.019 0.000 1.471 84 F CA 2.422 60.405 58.000 -0.028 0.000 1.965 84 F CB -1.261 37.685 39.000 -0.090 0.000 0.463 84 F HN 0.473 nan 8.300 nan 0.000 0.244 85 L N -0.075 121.249 121.223 0.169 0.000 2.628 85 L HA 0.295 4.635 4.340 0.000 0.000 0.229 85 L C 1.977 179.005 176.870 0.264 0.000 1.137 85 L CA 0.466 55.341 54.840 0.058 0.000 0.909 85 L CB -0.438 41.374 42.059 -0.412 0.000 1.137 85 L HN 0.552 nan 8.230 nan 0.000 0.470 86 A N 0.523 123.506 122.820 0.272 0.000 1.940 86 A HA -0.164 4.156 4.320 0.000 0.000 0.219 86 A C 1.724 179.511 177.584 0.338 0.000 1.176 86 A CA 1.479 53.721 52.037 0.342 0.000 0.631 86 A CB -0.142 19.001 19.000 0.239 0.000 0.814 86 A HN 0.493 nan 8.150 nan 0.000 0.446 87 E N -0.418 119.913 120.200 0.219 0.000 2.685 87 E HA 0.072 4.423 4.350 0.000 0.000 0.208 87 E C -0.539 176.131 176.600 0.118 0.000 0.996 87 E CA -0.399 56.099 56.400 0.162 0.000 1.054 87 E CB 0.158 29.927 29.700 0.116 0.000 1.075 87 E HN 0.388 nan 8.360 nan 0.000 0.460 88 N N 1.180 119.964 118.700 0.140 0.000 2.437 88 N HA 0.132 4.873 4.740 0.000 0.000 0.243 88 N C 0.561 176.115 175.510 0.073 0.000 1.041 88 N CA 0.005 53.117 53.050 0.105 0.000 0.940 88 N CB 1.303 39.859 38.487 0.115 0.000 1.133 88 N HN 0.118 nan 8.380 nan 0.000 0.506 89 A N 3.609 126.445 122.820 0.026 0.000 1.972 89 A HA -0.135 4.185 4.320 0.000 0.000 0.219 89 A C 1.517 179.077 177.584 -0.040 0.000 1.169 89 A CA 1.242 53.261 52.037 -0.030 0.000 0.635 89 A CB -0.116 18.875 19.000 -0.016 0.000 0.810 89 A HN 0.648 nan 8.150 nan 0.000 0.446 90 D N -1.153 119.255 120.400 0.015 0.000 2.182 90 D HA -0.135 4.505 4.640 0.000 0.000 0.201 90 D C 1.546 177.881 176.300 0.059 0.000 0.986 90 D CA 1.069 55.086 54.000 0.028 0.000 0.847 90 D CB -0.346 40.484 40.800 0.050 0.000 0.942 90 D HN 0.612 nan 8.370 nan 0.000 0.467 91 F N 1.163 121.051 119.950 -0.102 0.000 2.118 91 F HA -0.059 4.468 4.527 0.000 0.000 0.293 91 F C 2.295 177.947 175.800 -0.247 0.000 1.102 91 F CA 1.156 59.085 58.000 -0.119 0.000 1.247 91 F CB 0.079 39.038 39.000 -0.069 0.000 1.017 91 F HN -0.064 nan 8.300 nan 0.000 0.475 92 A N 0.131 122.622 122.820 -0.549 0.000 1.940 92 A HA -0.298 4.022 4.320 0.000 0.000 0.219 92 A C 2.117 179.397 177.584 -0.506 0.000 1.176 92 A CA 2.055 53.513 52.037 -0.965 0.000 0.631 92 A CB -1.084 17.293 19.000 -1.038 0.000 0.814 92 A HN 0.626 nan 8.150 nan 0.000 0.446 93 E N -1.002 119.027 120.200 -0.285 0.000 2.077 93 E HA -0.289 4.061 4.350 0.000 0.000 0.193 93 E C 2.170 178.695 176.600 -0.125 0.000 0.989 93 E CA 1.483 57.786 56.400 -0.162 0.000 0.800 93 E CB -0.119 29.526 29.700 -0.092 0.000 0.746 93 E HN 0.602 nan 8.360 nan 0.000 0.452 94 Q N 0.771 120.501 119.800 -0.117 0.000 2.119 94 Q HA -0.090 4.251 4.340 0.000 0.000 0.201 94 Q C 1.967 177.937 176.000 -0.051 0.000 0.972 94 Q CA 1.451 57.224 55.803 -0.051 0.000 0.847 94 Q CB -0.195 28.550 28.738 0.012 0.000 0.903 94 Q HN 0.429 nan 8.270 nan 0.000 0.433 95 I N 0.201 120.662 120.570 -0.182 0.000 2.226 95 I HA -0.282 3.888 4.170 0.000 0.000 0.245 95 I C 2.033 178.162 176.117 0.019 0.000 1.100 95 I CA 1.477 62.729 61.300 -0.080 0.000 1.374 95 I CB -0.248 37.561 38.000 -0.319 0.000 1.057 95 I HN 0.311 nan 8.210 nan 0.000 0.413 96 E N 0.603 120.758 120.200 -0.076 0.000 2.058 96 E HA -0.237 4.114 4.350 0.000 0.000 0.194 96 E C 2.323 178.902 176.600 -0.034 0.000 0.997 96 E CA 1.207 57.578 56.400 -0.049 0.000 0.801 96 E CB -0.117 29.536 29.700 -0.078 0.000 0.746 96 E HN 0.389 nan 8.360 nan 0.000 0.450 97 R N 0.192 120.672 120.500 -0.034 0.000 2.152 97 R HA -0.007 4.333 4.340 0.000 0.000 0.232 97 R C 2.148 178.430 176.300 -0.029 0.000 1.117 97 R CA 1.053 57.136 56.100 -0.028 0.000 0.981 97 R CB 0.042 30.329 30.300 -0.020 0.000 0.870 97 R HN -0.012 nan 8.270 nan 0.000 0.451 98 S N -1.060 114.635 115.700 -0.008 0.000 2.528 98 S HA 0.111 4.581 4.470 0.000 0.000 0.219 98 S C 1.226 175.688 174.600 -0.231 0.000 0.985 98 S CA 0.693 58.857 58.200 -0.059 0.000 0.914 98 S CB 0.969 64.233 63.200 0.106 0.000 0.776 98 S HN 0.656 nan 8.310 nan 0.000 0.526 99 G N 0.802 109.510 108.800 -0.155 0.000 2.175 99 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 99 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 99 G C 0.049 174.825 174.900 -0.207 0.000 0.982 99 G CA -0.340 44.646 45.100 -0.190 0.000 0.641 99 G HN 0.403 nan 8.290 nan 0.000 0.527 100 F N 1.441 121.369 119.950 -0.037 0.000 2.399 100 F HA 0.555 5.082 4.527 0.000 0.000 0.313 100 F C 1.352 177.137 175.800 -0.025 0.000 1.202 100 F CA 0.442 58.424 58.000 -0.029 0.000 1.192 100 F CB 0.629 39.609 39.000 -0.033 0.000 1.256 100 F HN -0.064 nan 8.300 nan 0.000 0.558 101 T N 2.258 116.942 114.554 0.217 0.000 2.799 101 T HA 0.278 4.628 4.350 0.000 0.000 0.286 101 T C -0.928 173.848 174.700 0.127 0.000 0.973 101 T CA -0.319 61.852 62.100 0.118 0.000 1.035 101 T CB 0.338 69.241 68.868 0.058 0.000 0.932 101 T HN 0.352 nan 8.240 nan 0.000 0.469 102 F N 3.420 123.321 119.950 -0.083 0.000 2.410 102 F HA 0.443 4.970 4.527 0.000 0.000 0.349 102 F C 0.136 175.846 175.800 -0.150 0.000 1.117 102 F CA -0.933 56.983 58.000 -0.141 0.000 1.104 102 F CB 0.791 39.690 39.000 -0.168 0.000 1.122 102 F HN 0.236 nan 8.300 nan 0.000 0.483 103 V N 7.081 126.606 119.914 -0.648 0.000 2.229 103 V HA 0.528 4.648 4.120 0.000 0.000 0.245 103 V C 0.516 176.052 176.094 -0.930 0.000 1.243 103 V CA 0.680 62.576 62.300 -0.673 0.000 1.176 103 V CB -1.111 30.287 31.823 -0.708 0.000 1.323 103 V HN 1.010 nan 8.190 nan 0.000 0.499 104 G N 5.505 113.935 108.800 -0.617 0.000 2.327 104 G HA2 0.371 4.331 3.960 0.000 0.000 0.291 104 G HA3 0.371 4.331 3.960 0.000 0.000 0.291 104 G C -3.465 171.389 174.900 -0.077 0.000 1.290 104 G CA -0.619 44.239 45.100 -0.404 0.000 0.857 104 G HN 0.309 nan 8.290 nan 0.000 0.520 105 P HA 0.368 nan 4.420 nan 0.000 0.282 105 P C 0.508 177.824 177.300 0.027 0.000 1.287 105 P CA -0.015 62.984 63.100 -0.169 0.000 0.792 105 P CB 0.450 31.890 31.700 -0.433 0.000 1.163 106 T N -3.585 110.937 114.554 -0.052 0.000 2.898 106 T HA 0.298 4.648 4.350 0.000 0.000 0.301 106 T C 1.559 176.217 174.700 -0.069 0.000 1.049 106 T CA 0.053 62.121 62.100 -0.054 0.000 1.095 106 T CB 0.129 68.969 68.868 -0.046 0.000 0.976 106 T HN 0.451 nan 8.240 nan 0.000 0.539 107 A N 1.109 123.857 122.820 -0.120 0.000 1.927 107 A HA -0.195 4.125 4.320 0.000 0.000 0.220 107 A C 2.296 179.854 177.584 -0.044 0.000 1.185 107 A CA 2.188 54.160 52.037 -0.108 0.000 0.639 107 A CB -1.222 17.704 19.000 -0.123 0.000 0.820 107 A HN 1.070 nan 8.150 nan 0.000 0.451 108 E N -0.441 119.740 120.200 -0.032 0.000 2.085 108 E HA -0.167 4.184 4.350 0.000 0.000 0.194 108 E C 1.817 178.427 176.600 0.016 0.000 0.994 108 E CA 1.687 58.083 56.400 -0.007 0.000 0.801 108 E CB -0.155 29.540 29.700 -0.007 0.000 0.743 108 E HN 0.345 nan 8.360 nan 0.000 0.453 109 V N 1.047 120.976 119.914 0.024 0.000 2.453 109 V HA -0.208 3.912 4.120 0.000 0.000 0.247 109 V C 2.312 178.460 176.094 0.090 0.000 1.048 109 V CA 1.356 63.699 62.300 0.070 0.000 1.049 109 V CB -0.319 31.554 31.823 0.084 0.000 0.672 109 V HN 0.341 nan 8.190 nan 0.000 0.457 110 I N -0.319 120.289 120.570 0.064 0.000 2.286 110 I HA -0.261 3.910 4.170 0.000 0.000 0.248 110 I C 2.732 178.882 176.117 0.056 0.000 1.115 110 I CA 1.604 62.949 61.300 0.074 0.000 1.392 110 I CB -0.373 37.657 38.000 0.050 0.000 1.065 110 I HN 0.232 nan 8.210 nan 0.000 0.418 111 R N 0.140 120.661 120.500 0.035 0.000 2.062 111 R HA -0.132 4.208 4.340 0.000 0.000 0.229 111 R C 2.294 178.617 176.300 0.038 0.000 1.128 111 R CA 1.014 57.131 56.100 0.029 0.000 0.960 111 R CB -0.465 29.843 30.300 0.015 0.000 0.855 111 R HN 0.179 nan 8.270 nan 0.000 0.432 112 L N 0.576 121.826 121.223 0.045 0.000 1.997 112 L HA -0.209 4.131 4.340 0.000 0.000 0.216 112 L C 1.849 178.758 176.870 0.064 0.000 1.074 112 L CA 1.889 56.759 54.840 0.051 0.000 0.763 112 L CB -0.148 41.947 42.059 0.060 0.000 0.890 112 L HN 0.180 nan 8.230 nan 0.000 0.434 113 M N -1.400 118.248 119.600 0.080 0.000 2.561 113 M HA 0.189 4.670 4.480 0.000 0.000 0.238 113 M C 1.812 178.158 176.300 0.077 0.000 1.131 113 M CA 0.834 56.190 55.300 0.093 0.000 1.046 113 M CB -1.216 31.442 32.600 0.096 0.000 1.532 113 M HN 0.372 nan 8.290 nan 0.000 0.497 114 G N -0.062 108.773 108.800 0.058 0.000 3.042 114 G HA2 -0.001 3.959 3.960 0.000 0.000 0.212 114 G HA3 -0.001 3.959 3.960 0.000 0.000 0.212 114 G C -0.239 174.678 174.900 0.028 0.000 1.166 114 G CA -0.098 45.026 45.100 0.039 0.000 0.767 114 G HN 0.431 nan 8.290 nan 0.000 0.546 115 D N -0.673 119.748 120.400 0.034 0.000 2.308 115 D HA 0.318 4.958 4.640 0.000 0.000 0.242 115 D C 1.329 177.649 176.300 0.033 0.000 1.059 115 D CA -0.651 53.363 54.000 0.024 0.000 0.830 115 D CB 1.520 42.332 40.800 0.020 0.000 1.161 115 D HN -0.108 nan 8.370 nan 0.000 0.494 116 K N 2.165 122.575 120.400 0.017 0.000 2.063 116 K HA -0.131 4.189 4.320 0.000 0.000 0.208 116 K C 1.533 178.157 176.600 0.040 0.000 1.048 116 K CA 1.206 57.507 56.287 0.024 0.000 0.928 116 K CB 0.068 32.560 32.500 -0.014 0.000 0.713 116 K HN 0.387 nan 8.250 nan 0.000 0.442 117 V N 0.905 120.830 119.914 0.017 0.000 2.307 117 V HA -0.235 3.886 4.120 0.000 0.000 0.245 117 V C 2.291 178.401 176.094 0.027 0.000 1.045 117 V CA 2.149 64.457 62.300 0.014 0.000 1.024 117 V CB -0.309 31.512 31.823 -0.003 0.000 0.651 117 V HN 0.502 nan 8.190 nan 0.000 0.449 118 S N 0.874 116.591 115.700 0.029 0.000 2.406 118 S HA -0.053 4.417 4.470 0.000 0.000 0.228 118 S C 2.083 176.708 174.600 0.042 0.000 1.020 118 S CA 1.099 59.317 58.200 0.029 0.000 0.965 118 S CB -0.424 62.792 63.200 0.027 0.000 0.798 118 S HN 0.538 nan 8.310 nan 0.000 0.488 119 A N 2.675 125.538 122.820 0.072 0.000 1.898 119 A HA -0.058 4.262 4.320 0.000 0.000 0.216 119 A C 2.218 179.853 177.584 0.085 0.000 1.181 119 A CA 1.726 53.831 52.037 0.112 0.000 0.620 119 A CB -0.737 18.391 19.000 0.214 0.000 0.819 119 A HN 0.608 nan 8.150 nan 0.000 0.442 120 K N -0.407 120.066 120.400 0.122 0.000 2.032 120 K HA -0.227 4.093 4.320 0.000 0.000 0.209 120 K C 1.295 177.901 176.600 0.010 0.000 1.048 120 K CA 1.912 58.258 56.287 0.099 0.000 0.927 120 K CB -0.272 32.288 32.500 0.099 0.000 0.712 120 K HN 0.347 nan 8.250 nan 0.000 0.441 121 D N 0.468 120.874 120.400 0.010 0.000 2.144 121 D HA -0.114 4.526 4.640 0.000 0.000 0.200 121 D C 1.824 178.109 176.300 -0.025 0.000 0.978 121 D CA 1.343 55.340 54.000 -0.005 0.000 0.833 121 D CB -0.288 40.513 40.800 0.003 0.000 0.961 121 D HN 0.396 nan 8.370 nan 0.000 0.470 122 A N 0.874 123.676 122.820 -0.030 0.000 1.902 122 A HA -0.176 4.144 4.320 0.000 0.000 0.217 122 A C 2.094 179.617 177.584 -0.101 0.000 1.181 122 A CA 1.423 53.434 52.037 -0.043 0.000 0.623 122 A CB -0.376 18.613 19.000 -0.018 0.000 0.818 122 A HN 0.080 nan 8.150 nan 0.000 0.443 123 M N -0.436 119.048 119.600 -0.193 0.000 2.175 123 M HA -0.055 4.425 4.480 0.000 0.000 0.264 123 M C 2.010 178.222 176.300 -0.147 0.000 1.063 123 M CA 1.487 56.615 55.300 -0.287 0.000 1.119 123 M CB -1.185 31.030 32.600 -0.643 0.000 1.377 123 M HN 0.493 nan 8.290 nan 0.000 0.415 124 K N 0.427 120.776 120.400 -0.084 0.000 2.032 124 K HA -0.147 4.174 4.320 0.000 0.000 0.209 124 K C 2.117 178.697 176.600 -0.034 0.000 1.048 124 K CA 1.277 57.543 56.287 -0.034 0.000 0.927 124 K CB 0.018 32.511 32.500 -0.011 0.000 0.712 124 K HN 0.272 nan 8.250 nan 0.000 0.441 125 R N -0.309 120.169 120.500 -0.037 0.000 2.105 125 R HA -0.115 4.225 4.340 0.000 0.000 0.239 125 R C 2.098 178.375 176.300 -0.039 0.000 1.135 125 R CA 1.242 57.324 56.100 -0.030 0.000 0.967 125 R CB -0.248 30.038 30.300 -0.023 0.000 0.861 125 R HN 0.199 nan 8.270 nan 0.000 0.442 126 A N -0.119 122.664 122.820 -0.062 0.000 2.208 126 A HA 0.192 4.512 4.320 0.000 0.000 0.209 126 A C 1.394 178.935 177.584 -0.071 0.000 1.161 126 A CA 0.908 52.900 52.037 -0.075 0.000 0.782 126 A CB 0.055 18.983 19.000 -0.119 0.000 0.816 126 A HN 0.476 nan 8.150 nan 0.000 0.477 127 G N -2.059 106.710 108.800 -0.052 0.000 2.144 127 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 127 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 127 G C -0.009 174.881 174.900 -0.016 0.000 0.988 127 G CA 0.015 45.096 45.100 -0.031 0.000 0.659 127 G HN 0.809 nan 8.290 nan 0.000 0.522 128 V N 2.841 122.742 119.914 -0.021 0.000 2.370 128 V HA 0.612 4.732 4.120 0.000 0.000 0.283 128 V C -1.420 174.734 176.094 0.099 0.000 1.023 128 V CA -1.378 60.950 62.300 0.047 0.000 0.857 128 V CB 1.857 33.707 31.823 0.046 0.000 0.985 128 V HN 0.244 nan 8.190 nan 0.000 0.443 129 P HA 0.403 nan 4.420 nan 0.000 0.281 129 P C -0.199 177.291 177.300 0.315 0.000 1.264 129 P CA -0.250 62.972 63.100 0.204 0.000 0.824 129 P CB 1.287 33.115 31.700 0.212 0.000 1.092 130 T N -2.338 112.359 114.554 0.237 0.000 2.814 130 T HA 0.276 4.626 4.350 0.000 0.000 0.284 130 T C 0.479 175.227 174.700 0.080 0.000 0.998 130 T CA -0.751 61.486 62.100 0.229 0.000 0.935 130 T CB -0.194 68.764 68.868 0.152 0.000 1.167 130 T HN 0.154 nan 8.240 nan 0.000 0.545 131 V N 3.352 123.242 119.914 -0.040 0.000 2.557 131 V HA 0.151 4.271 4.120 0.000 0.000 0.301 131 V C -1.880 174.017 176.094 -0.328 0.000 1.026 131 V CA -0.970 61.110 62.300 -0.366 0.000 1.137 131 V CB -0.475 31.227 31.823 -0.203 0.000 0.917 131 V HN 0.776 nan 8.190 nan 0.000 0.484 132 P HA 0.422 nan 4.420 nan 0.000 0.268 132 P C 0.289 177.495 177.300 -0.156 0.000 1.205 132 P CA 0.502 63.453 63.100 -0.248 0.000 0.771 132 P CB 0.761 32.310 31.700 -0.251 0.000 0.858 133 G N 0.539 109.289 108.800 -0.083 0.000 2.489 133 G HA2 0.444 4.405 3.960 0.000 0.000 0.305 133 G HA3 0.444 4.405 3.960 0.000 0.000 0.305 133 G C -1.069 173.822 174.900 -0.015 0.000 1.311 133 G CA -0.557 44.520 45.100 -0.038 0.000 0.813 133 G HN 0.513 nan 8.290 nan 0.000 0.480 134 S N -0.054 115.658 115.700 0.019 0.000 2.564 134 S HA 0.501 4.972 4.470 0.000 0.000 0.278 134 S C -0.983 173.626 174.600 0.015 0.000 1.333 134 S CA -0.310 57.904 58.200 0.023 0.000 1.048 134 S CB 1.374 64.604 63.200 0.049 0.000 0.900 134 S HN 0.416 nan 8.310 nan 0.000 0.505 135 D N 2.247 122.644 120.400 -0.004 0.000 2.408 135 D HA 0.352 4.992 4.640 0.000 0.000 0.261 135 D C 0.751 177.037 176.300 -0.024 0.000 1.190 135 D CA -0.407 53.580 54.000 -0.023 0.000 0.910 135 D CB 1.254 42.044 40.800 -0.016 0.000 1.097 135 D HN 0.696 nan 8.370 nan 0.000 0.522 136 G N 2.535 111.312 108.800 -0.038 0.000 2.726 136 G HA2 0.110 4.070 3.960 0.000 0.000 0.221 136 G HA3 0.110 4.070 3.960 0.000 0.000 0.221 136 G C -1.965 172.926 174.900 -0.016 0.000 1.327 136 G CA -0.010 45.047 45.100 -0.072 0.000 0.884 136 G HN 0.272 nan 8.290 nan 0.000 0.581 137 P HA 0.195 nan 4.420 nan 0.000 0.271 137 P C -0.676 176.656 177.300 0.054 0.000 1.216 137 P CA -0.332 62.801 63.100 0.054 0.000 0.776 137 P CB 1.547 33.266 31.700 0.031 0.000 0.881 138 L N 5.931 127.197 121.223 0.071 0.000 2.360 138 L HA 0.342 4.682 4.340 0.000 0.000 0.276 138 L C -2.019 174.869 176.870 0.030 0.000 1.121 138 L CA -1.859 53.007 54.840 0.043 0.000 0.845 138 L CB -0.158 41.921 42.059 0.034 0.000 1.143 138 L HN 0.288 nan 8.230 nan 0.000 0.452 139 P HA 0.116 nan 4.420 nan 0.000 0.274 139 P C -0.293 177.019 177.300 0.019 0.000 1.237 139 P CA -0.217 62.895 63.100 0.019 0.000 0.793 139 P CB 0.741 32.451 31.700 0.016 0.000 0.977 140 E N -0.456 119.755 120.200 0.018 0.000 2.216 140 E HA -0.091 4.260 4.350 0.000 0.000 0.192 140 E C 0.190 176.800 176.600 0.017 0.000 0.988 140 E CA 0.324 56.734 56.400 0.017 0.000 0.834 140 E CB -0.125 29.585 29.700 0.016 0.000 0.772 140 E HN 0.574 nan 8.360 nan 0.000 0.479 141 D N 1.251 121.661 120.400 0.016 0.000 2.487 141 D HA -0.077 4.563 4.640 0.000 0.000 0.243 141 D C 0.770 177.081 176.300 0.018 0.000 1.154 141 D CA 0.437 54.446 54.000 0.015 0.000 0.876 141 D CB 0.752 41.560 40.800 0.014 0.000 1.161 141 D HN 0.004 nan 8.370 nan 0.000 0.478 142 E N 2.487 122.698 120.200 0.018 0.000 2.031 142 E HA -0.179 4.171 4.350 0.000 0.000 0.193 142 E C 1.417 178.031 176.600 0.025 0.000 0.994 142 E CA 0.872 57.285 56.400 0.022 0.000 0.800 142 E CB 0.095 29.806 29.700 0.020 0.000 0.752 142 E HN 0.576 nan 8.360 nan 0.000 0.447 143 E N 0.221 120.434 120.200 0.022 0.000 2.204 143 E HA -0.090 4.261 4.350 0.000 0.000 0.194 143 E C 2.126 178.741 176.600 0.024 0.000 0.989 143 E CA 0.943 57.357 56.400 0.023 0.000 0.824 143 E CB -0.374 29.337 29.700 0.019 0.000 0.756 143 E HN 0.215 nan 8.360 nan 0.000 0.477 144 T N 1.100 115.666 114.554 0.020 0.000 2.821 144 T HA -0.044 4.306 4.350 0.000 0.000 0.267 144 T C 1.950 176.662 174.700 0.020 0.000 1.046 144 T CA 1.268 63.379 62.100 0.018 0.000 1.139 144 T CB -0.113 68.764 68.868 0.015 0.000 0.871 144 T HN 0.264 nan 8.240 nan 0.000 0.454 145 A N 1.296 124.130 122.820 0.023 0.000 1.898 145 A HA 0.064 4.384 4.320 0.000 0.000 0.216 145 A C 2.265 179.871 177.584 0.036 0.000 1.181 145 A CA 1.097 53.149 52.037 0.025 0.000 0.620 145 A CB -0.806 18.211 19.000 0.027 0.000 0.819 145 A HN 0.455 nan 8.150 nan 0.000 0.442 146 L N -0.807 120.445 121.223 0.049 0.000 2.093 146 L HA -0.152 4.188 4.340 0.000 0.000 0.208 146 L C 3.038 179.949 176.870 0.069 0.000 1.085 146 L CA 0.943 55.828 54.840 0.076 0.000 0.755 146 L CB -0.435 41.664 42.059 0.068 0.000 0.904 146 L HN 0.432 nan 8.230 nan 0.000 0.435 147 A N 0.204 123.050 122.820 0.044 0.000 1.898 147 A HA -0.136 4.185 4.320 0.000 0.000 0.216 147 A C 2.218 179.815 177.584 0.023 0.000 1.181 147 A CA 1.307 53.365 52.037 0.035 0.000 0.620 147 A CB -0.556 18.460 19.000 0.026 0.000 0.819 147 A HN 0.324 nan 8.150 nan 0.000 0.442 148 I N -0.216 120.361 120.570 0.011 0.000 2.179 148 I HA -0.271 3.899 4.170 0.000 0.000 0.242 148 I C 2.985 179.078 176.117 -0.040 0.000 1.088 148 I CA 1.054 62.349 61.300 -0.009 0.000 1.357 148 I CB -0.346 37.648 38.000 -0.009 0.000 1.051 148 I HN 0.353 nan 8.210 nan 0.000 0.409 149 A N 0.576 123.367 122.820 -0.049 0.000 1.908 149 A HA -0.247 4.073 4.320 0.000 0.000 0.218 149 A C 2.457 179.950 177.584 -0.152 0.000 1.181 149 A CA 1.639 53.575 52.037 -0.167 0.000 0.627 149 A CB -0.652 18.265 19.000 -0.138 0.000 0.818 149 A HN 0.315 nan 8.150 nan 0.000 0.445 150 R N -0.703 119.818 120.500 0.035 0.000 2.081 150 R HA -0.132 4.208 4.340 0.000 0.000 0.235 150 R C 1.801 178.126 176.300 0.041 0.000 1.131 150 R CA 1.520 57.684 56.100 0.107 0.000 0.960 150 R CB -0.122 30.249 30.300 0.119 0.000 0.856 150 R HN 0.454 nan 8.270 nan 0.000 0.436 151 E N -0.038 120.168 120.200 0.010 0.000 2.152 151 E HA -0.089 4.261 4.350 0.000 0.000 0.192 151 E C 2.051 178.639 176.600 -0.020 0.000 0.983 151 E CA 0.679 57.082 56.400 0.005 0.000 0.818 151 E CB -0.101 29.602 29.700 0.005 0.000 0.758 151 E HN 0.151 nan 8.360 nan 0.000 0.467 152 V N 0.351 120.227 119.914 -0.063 0.000 2.343 152 V HA -0.097 4.023 4.120 0.000 0.000 0.247 152 V C 1.155 177.194 176.094 -0.091 0.000 1.051 152 V CA 1.359 63.600 62.300 -0.098 0.000 1.036 152 V CB -0.997 30.735 31.823 -0.151 0.000 0.654 152 V HN 0.453 nan 8.190 nan 0.000 0.451 153 G N -1.440 107.293 108.800 -0.112 0.000 3.190 153 G HA2 -0.182 3.778 3.960 0.000 0.000 0.686 153 G HA3 -0.182 3.778 3.960 0.000 0.000 0.686 153 G C -0.756 174.092 174.900 -0.086 0.000 1.033 153 G CA -0.705 44.378 45.100 -0.028 0.000 0.797 153 G HN 0.230 nan 8.290 nan 0.000 0.567 154 Y N 2.031 122.351 120.300 0.034 0.000 2.314 154 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 154 Y C -0.888 175.054 175.900 0.069 0.000 1.266 154 Y CA -0.869 57.252 58.100 0.034 0.000 1.391 154 Y CB 0.452 38.930 38.460 0.029 0.000 1.306 154 Y HN 0.529 nan 8.280 nan 0.000 0.558 155 P HA 0.204 nan 4.420 nan 0.000 0.272 155 P C -1.176 176.123 177.300 -0.003 0.000 1.223 155 P CA -0.381 62.790 63.100 0.119 0.000 0.784 155 P CB 0.679 32.321 31.700 -0.097 0.000 0.923 156 V N -0.879 118.962 119.914 -0.122 0.000 2.960 156 V HA 0.655 4.775 4.120 0.000 0.000 0.315 156 V C -0.525 175.493 176.094 -0.127 0.000 1.087 156 V CA -0.999 61.204 62.300 -0.161 0.000 0.982 156 V CB 1.797 33.429 31.823 -0.317 0.000 1.039 156 V HN 0.294 nan 8.190 nan 0.000 0.437 157 I N 2.687 123.200 120.570 -0.095 0.000 2.441 157 I HA 0.524 4.694 4.170 0.000 0.000 0.295 157 I C -0.615 175.411 176.117 -0.152 0.000 0.994 157 I CA -0.536 60.700 61.300 -0.107 0.000 1.144 157 I CB 1.947 39.914 38.000 -0.054 0.000 1.314 157 I HN 0.496 nan 8.210 nan 0.000 0.445 158 I N 6.063 126.539 120.570 -0.157 0.000 2.354 158 I HA 0.328 4.498 4.170 0.000 0.000 0.286 158 I C -0.285 175.693 176.117 -0.231 0.000 1.007 158 I CA -0.499 60.692 61.300 -0.181 0.000 1.167 158 I CB 0.962 38.898 38.000 -0.108 0.000 1.320 158 I HN 0.498 nan 8.210 nan 0.000 0.458 159 K N 4.449 124.598 120.400 -0.419 0.000 2.156 159 K HA 0.774 5.094 4.320 0.000 0.000 0.254 159 K C -0.321 176.055 176.600 -0.374 0.000 0.950 159 K CA -0.635 55.370 56.287 -0.471 0.000 0.849 159 K CB 2.253 34.253 32.500 -0.833 0.000 1.100 159 K HN 0.622 nan 8.250 nan 0.000 0.434 160 A N 1.148 123.833 122.820 -0.225 0.000 2.304 160 A HA 0.474 4.795 4.320 0.000 0.000 0.271 160 A C 1.142 178.641 177.584 -0.141 0.000 1.091 160 A CA 0.180 52.121 52.037 -0.160 0.000 0.812 160 A CB 0.649 19.550 19.000 -0.165 0.000 1.056 160 A HN 0.892 nan 8.150 nan 0.000 0.489 161 A N 1.927 124.705 122.820 -0.069 0.000 1.958 161 A HA 0.112 4.433 4.320 0.000 0.000 0.221 161 A C 1.627 179.115 177.584 -0.159 0.000 1.178 161 A CA 2.012 54.036 52.037 -0.022 0.000 0.642 161 A CB -1.403 17.579 19.000 -0.029 0.000 0.816 161 A HN 1.631 nan 8.150 nan 0.000 0.453 167 R N -0.077 120.482 120.500 0.099 0.000 2.628 167 R HA 0.566 4.907 4.340 0.000 0.000 0.288 167 R C 0.752 177.175 176.300 0.205 0.000 0.980 167 R CA -0.300 55.907 56.100 0.180 0.000 0.891 167 R CB 2.066 32.563 30.300 0.329 0.000 1.188 167 R HN 0.886 nan 8.270 nan 0.000 0.450 168 G N 2.242 111.151 108.800 0.182 0.000 2.323 168 G HA2 -0.298 3.662 3.960 0.000 0.000 0.292 168 G HA3 -0.298 3.662 3.960 0.000 0.000 0.292 168 G C -0.139 174.795 174.900 0.056 0.000 1.040 168 G CA 0.668 45.861 45.100 0.154 0.000 0.942 168 G HN 0.496 nan 8.290 nan 0.000 0.506 169 M N -0.616 118.998 119.600 0.024 0.000 2.436 169 M HA 0.747 5.228 4.480 0.000 0.000 0.331 169 M C -0.032 176.251 176.300 -0.029 0.000 1.135 169 M CA -1.044 54.241 55.300 -0.026 0.000 0.987 169 M CB 1.353 33.940 32.600 -0.021 0.000 1.687 169 M HN 0.259 nan 8.290 nan 0.000 0.445 170 R N 3.300 123.765 120.500 -0.059 0.000 2.522 170 R HA 0.582 4.922 4.340 0.000 0.000 0.283 170 R C -2.146 174.088 176.300 -0.110 0.000 1.074 170 R CA -0.626 55.438 56.100 -0.060 0.000 0.925 170 R CB 1.985 32.263 30.300 -0.037 0.000 1.205 170 R HN 0.599 nan 8.270 nan 0.000 0.436 171 V N 4.731 124.547 119.914 -0.164 0.000 2.465 171 V HA 0.341 4.462 4.120 0.000 0.000 0.279 171 V C -0.184 175.682 176.094 -0.380 0.000 1.045 171 V CA -0.526 61.569 62.300 -0.342 0.000 0.938 171 V CB 1.634 33.110 31.823 -0.578 0.000 0.986 171 V HN 0.462 nan 8.190 nan 0.000 0.467 172 V N 5.771 125.500 119.914 -0.309 0.000 2.384 172 V HA 0.316 4.436 4.120 0.000 0.000 0.287 172 V C -0.141 175.890 176.094 -0.105 0.000 1.020 172 V CA -0.321 61.909 62.300 -0.116 0.000 0.850 172 V CB 1.103 32.978 31.823 0.088 0.000 0.987 172 V HN 0.843 nan 8.190 nan 0.000 0.436 173 Y N 1.659 122.005 120.300 0.077 0.000 2.436 173 Y HA 0.230 4.780 4.550 0.000 0.000 0.288 173 Y C 1.008 176.885 175.900 -0.038 0.000 1.112 173 Y CA 0.193 58.321 58.100 0.046 0.000 1.220 173 Y CB 0.544 38.986 38.460 -0.031 0.000 1.073 173 Y HN 0.672 nan 8.280 nan 0.000 0.552 174 D N -0.820 119.554 120.400 -0.044 0.000 2.732 174 D HA 0.108 4.749 4.640 0.000 0.000 0.229 174 D C 0.390 176.357 176.300 -0.555 0.000 1.152 174 D CA -0.449 53.318 54.000 -0.389 0.000 0.854 174 D CB 1.297 42.001 40.800 -0.161 0.000 1.590 174 D HN 0.230 nan 8.370 nan 0.000 0.468 175 E N 0.795 120.494 120.200 -0.835 0.000 2.338 175 E HA -0.149 4.201 4.350 0.000 0.000 0.197 175 E C 1.073 177.599 176.600 -0.123 0.000 1.007 175 E CA 1.004 57.148 56.400 -0.427 0.000 0.849 175 E CB -0.109 29.432 29.700 -0.265 0.000 0.774 175 E HN 0.296 nan 8.360 nan 0.000 0.506 176 S N 0.118 115.743 115.700 -0.125 0.000 2.515 176 S HA -0.089 4.381 4.470 0.000 0.000 0.231 176 S C 1.607 176.195 174.600 -0.020 0.000 0.987 176 S CA 0.944 59.112 58.200 -0.054 0.000 0.936 176 S CB 0.188 63.356 63.200 -0.053 0.000 0.766 176 S HN 0.170 nan 8.310 nan 0.000 0.528 177 E N -0.094 120.099 120.200 -0.012 0.000 2.526 177 E HA 0.362 4.713 4.350 0.000 0.000 0.208 177 E C 1.195 177.822 176.600 0.045 0.000 0.997 177 E CA -0.184 56.229 56.400 0.021 0.000 0.961 177 E CB -0.030 29.693 29.700 0.037 0.000 1.030 177 E HN 0.416 nan 8.360 nan 0.000 0.483 178 L N 0.133 121.395 121.223 0.065 0.000 1.988 178 L HA -0.075 4.265 4.340 0.000 0.000 0.207 178 L C 1.579 178.484 176.870 0.057 0.000 1.071 178 L CA 1.510 56.409 54.840 0.098 0.000 0.744 178 L CB -0.451 41.706 42.059 0.163 0.000 0.893 178 L HN 0.143 nan 8.230 nan 0.000 0.433 179 I N 0.031 120.628 120.570 0.046 0.000 2.127 179 I HA -0.266 3.904 4.170 0.000 0.000 0.241 179 I C 2.551 178.683 176.117 0.025 0.000 1.075 179 I CA 1.374 62.693 61.300 0.032 0.000 1.334 179 I CB -0.921 37.095 38.000 0.027 0.000 1.040 179 I HN 0.301 nan 8.210 nan 0.000 0.405 180 K N 0.340 120.754 120.400 0.023 0.000 2.113 180 K HA -0.155 4.166 4.320 0.000 0.000 0.208 180 K C 2.160 178.771 176.600 0.019 0.000 1.047 180 K CA 1.882 58.180 56.287 0.019 0.000 0.928 180 K CB -0.191 32.320 32.500 0.017 0.000 0.716 180 K HN 0.297 nan 8.250 nan 0.000 0.446 181 S N 0.208 115.922 115.700 0.023 0.000 2.377 181 S HA -0.020 4.451 4.470 0.000 0.000 0.223 181 S C 2.007 176.613 174.600 0.010 0.000 1.030 181 S CA 0.907 59.117 58.200 0.018 0.000 0.970 181 S CB -0.103 63.110 63.200 0.021 0.000 0.830 181 S HN 0.485 nan 8.310 nan 0.000 0.473 182 A N 1.930 124.757 122.820 0.011 0.000 1.858 182 A HA -0.164 4.156 4.320 0.000 0.000 0.216 182 A C 1.983 179.573 177.584 0.010 0.000 1.190 182 A CA 2.014 54.054 52.037 0.005 0.000 0.617 182 A CB -0.677 18.328 19.000 0.009 0.000 0.827 182 A HN 0.377 nan 8.150 nan 0.000 0.443 183 K N -0.944 119.465 120.400 0.014 0.000 2.071 183 K HA -0.218 4.102 4.320 0.000 0.000 0.217 183 K C 1.781 178.390 176.600 0.016 0.000 1.054 183 K CA 1.983 58.280 56.287 0.015 0.000 0.937 183 K CB -0.475 32.034 32.500 0.015 0.000 0.719 183 K HN 0.380 nan 8.250 nan 0.000 0.454 184 L N 0.195 121.426 121.223 0.015 0.000 2.217 184 L HA -0.096 4.244 4.340 0.000 0.000 0.211 184 L C 1.705 178.586 176.870 0.019 0.000 1.107 184 L CA 1.797 56.646 54.840 0.016 0.000 0.783 184 L CB -0.450 41.618 42.059 0.014 0.000 0.919 184 L HN 0.235 nan 8.230 nan 0.000 0.442 185 T N -1.050 113.513 114.554 0.015 0.000 2.985 185 T HA -0.066 4.284 4.350 0.000 0.000 0.266 185 T C 1.966 176.685 174.700 0.031 0.000 1.076 185 T CA 0.869 62.980 62.100 0.018 0.000 1.135 185 T CB -0.136 68.729 68.868 -0.006 0.000 0.890 185 T HN 0.338 nan 8.240 nan 0.000 0.480 186 R N 0.985 121.501 120.500 0.026 0.000 2.066 186 R HA -0.038 4.302 4.340 0.000 0.000 0.232 186 R C 2.713 179.038 176.300 0.042 0.000 1.131 186 R CA 1.562 57.683 56.100 0.035 0.000 0.955 186 R CB -0.896 29.421 30.300 0.027 0.000 0.851 186 R HN 0.303 nan 8.270 nan 0.000 0.432 187 T N 1.480 116.053 114.554 0.033 0.000 2.759 187 T HA -0.135 4.216 4.350 0.000 0.000 0.269 187 T C 0.818 175.539 174.700 0.036 0.000 1.042 187 T CA 1.191 63.309 62.100 0.030 0.000 1.140 187 T CB -0.134 68.746 68.868 0.021 0.000 0.864 187 T HN 0.366 nan 8.240 nan 0.000 0.455 188 E N 1.463 121.689 120.200 0.044 0.000 2.705 188 E HA 0.421 4.772 4.350 0.000 0.000 0.272 188 E C -0.186 176.474 176.600 0.099 0.000 1.528 188 E CA -0.372 56.060 56.400 0.053 0.000 1.750 188 E CB -0.171 29.561 29.700 0.053 0.000 1.439 188 E HN 0.380 nan 8.360 nan 0.000 0.449 189 A N 0.550 123.426 122.820 0.093 0.000 1.715 189 A HA 0.360 4.680 4.320 0.000 0.000 0.273 189 A C 0.153 177.794 177.584 0.094 0.000 1.136 189 A CA -0.489 51.633 52.037 0.142 0.000 0.907 189 A CB -0.234 18.916 19.000 0.250 0.000 1.152 189 A HN 0.321 nan 8.150 nan 0.000 0.375 194 G N 0.837 109.740 108.800 0.171 0.000 2.349 194 G HA2 -0.263 3.697 3.960 0.000 0.000 0.213 194 G HA3 -0.263 3.697 3.960 0.000 0.000 0.213 194 G C -0.049 174.910 174.900 0.099 0.000 1.044 194 G CA -0.006 45.156 45.100 0.103 0.000 0.633 194 G HN 0.371 nan 8.290 nan 0.000 0.506 195 N N 2.566 121.340 118.700 0.123 0.000 2.408 195 N HA 0.516 5.257 4.740 0.000 0.000 0.257 195 N C -1.911 173.647 175.510 0.079 0.000 1.064 195 N CA -1.904 51.195 53.050 0.081 0.000 0.952 195 N CB 1.647 40.170 38.487 0.060 0.000 1.093 195 N HN 0.184 nan 8.380 nan 0.000 0.490 196 P HA 0.153 nan 4.420 nan 0.000 0.227 196 P C -0.638 176.687 177.300 0.042 0.000 1.801 196 P CA 0.075 63.206 63.100 0.052 0.000 0.971 196 P CB -0.060 31.665 31.700 0.042 0.000 1.653 197 M N 1.329 120.955 119.600 0.042 0.000 2.157 197 M HA 0.322 4.802 4.480 0.000 0.000 0.354 197 M C 0.184 176.518 176.300 0.057 0.000 1.170 197 M CA -0.721 54.607 55.300 0.047 0.000 1.060 197 M CB 2.353 34.980 32.600 0.044 0.000 1.615 197 M HN -0.147 nan 8.290 nan 0.000 0.460 198 V N 2.409 122.360 119.914 0.061 0.000 2.823 198 V HA 0.783 4.904 4.120 0.000 0.000 0.312 198 V C -1.304 174.858 176.094 0.114 0.000 1.072 198 V CA -0.823 61.502 62.300 0.042 0.000 0.937 198 V CB 1.712 33.524 31.823 -0.017 0.000 1.013 198 V HN 0.846 nan 8.190 nan 0.000 0.430 199 Y N 2.298 122.575 120.300 -0.039 0.000 2.602 199 Y HA 0.871 5.422 4.550 0.000 0.000 0.342 199 Y C -1.075 174.798 175.900 -0.046 0.000 1.029 199 Y CA -1.751 56.325 58.100 -0.041 0.000 1.080 199 Y CB 1.932 40.365 38.460 -0.045 0.000 1.284 199 Y HN 0.846 nan 8.280 nan 0.000 0.485 200 L N 1.828 123.091 121.223 0.066 0.000 2.334 200 L HA 0.658 4.998 4.340 0.000 0.000 0.273 200 L C -0.981 175.892 176.870 0.006 0.000 1.013 200 L CA -0.517 54.297 54.840 -0.043 0.000 0.816 200 L CB 1.837 43.870 42.059 -0.044 0.000 1.278 200 L HN 0.970 nan 8.230 nan 0.000 0.431 201 E N 3.615 123.777 120.200 -0.064 0.000 2.321 201 E HA 0.220 4.570 4.350 0.000 0.000 0.278 201 E C -1.514 175.044 176.600 -0.070 0.000 0.902 201 E CA -0.883 55.495 56.400 -0.038 0.000 0.758 201 E CB 1.836 31.532 29.700 -0.007 0.000 1.213 201 E HN 0.505 nan 8.360 nan 0.000 0.426 202 K N 3.770 124.112 120.400 -0.097 0.000 2.412 202 K HA 0.062 4.383 4.320 0.000 0.000 0.281 202 K C -0.620 175.968 176.600 -0.020 0.000 1.027 202 K CA -0.258 55.975 56.287 -0.090 0.000 0.989 202 K CB 0.329 32.734 32.500 -0.160 0.000 0.935 202 K HN 0.371 nan 8.250 nan 0.000 0.475 203 F N 6.342 126.237 119.950 -0.092 0.000 2.506 203 F HA 0.192 4.719 4.527 0.000 0.000 0.371 203 F C -0.790 175.007 175.800 -0.005 0.000 1.078 203 F CA -0.313 57.658 58.000 -0.047 0.000 1.195 203 F CB 0.322 39.286 39.000 -0.059 0.000 1.099 203 F HN 0.304 nan 8.300 nan 0.000 0.548 204 L N 7.145 127.891 121.223 -0.794 0.000 2.295 204 L HA 0.304 4.644 4.340 0.000 0.000 0.285 204 L C 0.937 177.250 176.870 -0.929 0.000 1.035 204 L CA -0.564 53.928 54.840 -0.579 0.000 0.806 204 L CB 1.591 43.495 42.059 -0.258 0.000 1.214 204 L HN 0.672 nan 8.230 nan 0.000 0.426 205 T N 0.302 114.585 114.554 -0.453 0.000 2.976 205 T HA -0.042 4.308 4.350 0.000 0.000 0.257 205 T C 0.904 175.575 174.700 -0.048 0.000 1.051 205 T CA 1.052 63.045 62.100 -0.178 0.000 1.141 205 T CB -0.100 68.809 68.868 0.068 0.000 0.881 205 T HN 0.468 nan 8.240 nan 0.000 0.461 206 N N 1.568 120.230 118.700 -0.064 0.000 2.672 206 N HA 0.220 4.960 4.740 0.000 0.000 0.295 206 N C -3.050 172.438 175.510 -0.037 0.000 1.924 206 N CA -1.850 51.195 53.050 -0.009 0.000 0.851 206 N CB 0.974 39.461 38.487 -0.000 0.000 1.281 206 N HN 0.093 nan 8.380 nan 0.000 0.494 207 P HA 0.168 nan 4.420 nan 0.000 0.276 207 P C -0.635 176.654 177.300 -0.018 0.000 1.264 207 P CA 0.128 63.193 63.100 -0.059 0.000 0.769 207 P CB 0.737 32.381 31.700 -0.094 0.000 0.840 208 R N 1.860 122.391 120.500 0.052 0.000 2.589 208 R HA 0.336 4.676 4.340 0.000 0.000 0.293 208 R C 0.102 176.503 176.300 0.168 0.000 0.963 208 R CA -0.788 55.382 56.100 0.116 0.000 0.905 208 R CB 1.198 31.593 30.300 0.158 0.000 1.144 208 R HN 0.569 nan 8.270 nan 0.000 0.459 209 H N 2.062 121.184 119.070 0.087 0.000 2.934 209 H HA 0.285 4.842 4.556 0.000 0.000 0.273 209 H C -1.023 174.393 175.328 0.148 0.000 1.121 209 H CA -0.384 55.733 56.048 0.114 0.000 1.451 209 H CB 0.424 30.232 29.762 0.077 0.000 1.469 209 H HN 0.111 nan 8.280 nan 0.000 0.476 210 V N 6.437 126.519 119.914 0.281 0.000 2.540 210 V HA 0.249 4.370 4.120 0.000 0.000 0.302 210 V C -0.481 175.858 176.094 0.409 0.000 1.035 210 V CA -0.764 61.739 62.300 0.339 0.000 0.873 210 V CB 1.608 33.596 31.823 0.275 0.000 0.992 210 V HN 0.909 nan 8.190 nan 0.000 0.428 211 E N 3.695 124.130 120.200 0.392 0.000 2.317 211 E HA 0.774 5.124 4.350 0.000 0.000 0.270 211 E C -1.872 174.942 176.600 0.356 0.000 0.885 211 E CA -0.872 55.767 56.400 0.399 0.000 0.760 211 E CB 2.600 32.496 29.700 0.326 0.000 1.227 211 E HN 0.279 nan 8.360 nan 0.000 0.434 212 V N 2.008 122.172 119.914 0.416 0.000 2.398 212 V HA 0.195 4.315 4.120 0.000 0.000 0.286 212 V C -0.296 175.963 176.094 0.275 0.000 1.026 212 V CA -0.706 61.799 62.300 0.342 0.000 0.868 212 V CB 1.244 33.305 31.823 0.397 0.000 0.982 212 V HN 0.728 nan 8.190 nan 0.000 0.443 213 Q N 4.263 124.160 119.800 0.161 0.000 2.256 213 Q HA 0.609 4.949 4.340 0.000 0.000 0.254 213 Q C -0.749 175.316 176.000 0.109 0.000 0.916 213 Q CA -0.235 55.637 55.803 0.114 0.000 0.932 213 Q CB 1.691 30.475 28.738 0.077 0.000 1.207 213 Q HN 0.762 nan 8.270 nan 0.000 0.426 214 V N 1.786 121.764 119.914 0.107 0.000 3.001 214 V HA 0.751 4.871 4.120 0.000 0.000 0.314 214 V C -1.044 175.101 176.094 0.086 0.000 1.099 214 V CA -1.035 61.331 62.300 0.110 0.000 0.989 214 V CB 1.948 33.887 31.823 0.193 0.000 1.040 214 V HN 0.761 nan 8.190 nan 0.000 0.434 215 L N 2.239 123.510 121.223 0.081 0.000 2.386 215 L HA 0.817 5.157 4.340 0.000 0.000 0.271 215 L C -0.272 176.663 176.870 0.108 0.000 0.993 215 L CA -0.277 54.616 54.840 0.088 0.000 0.819 215 L CB 2.181 44.260 42.059 0.034 0.000 1.294 215 L HN 0.931 nan 8.230 nan 0.000 0.414 216 S N -0.026 115.761 115.700 0.144 0.000 2.575 216 S HA 0.299 4.769 4.470 0.000 0.000 0.278 216 S C -0.292 174.350 174.600 0.070 0.000 1.139 216 S CA -0.689 57.596 58.200 0.141 0.000 0.954 216 S CB 1.316 64.682 63.200 0.278 0.000 1.054 216 S HN 0.754 nan 8.310 nan 0.000 0.483 217 D N 2.506 122.929 120.400 0.039 0.000 2.350 217 D HA 0.203 4.843 4.640 0.000 0.000 0.213 217 D C 1.382 177.678 176.300 -0.007 0.000 1.031 217 D CA 0.775 54.778 54.000 0.006 0.000 0.861 217 D CB -0.401 40.400 40.800 0.002 0.000 0.926 217 D HN 1.034 nan 8.370 nan 0.000 0.520 218 G N 0.370 109.174 108.800 0.006 0.000 2.168 218 G HA2 -0.355 3.605 3.960 0.000 0.000 0.263 218 G HA3 -0.355 3.605 3.960 0.000 0.000 0.263 218 G C 0.598 175.499 174.900 0.002 0.000 0.977 218 G CA 0.458 45.556 45.100 -0.004 0.000 0.659 218 G HN 0.487 nan 8.290 nan 0.000 0.533 219 Q N -1.081 118.723 119.800 0.007 0.000 2.135 219 Q HA 0.456 4.796 4.340 0.000 0.000 0.231 219 Q C 1.529 177.535 176.000 0.010 0.000 0.817 219 Q CA 0.319 56.124 55.803 0.005 0.000 1.073 219 Q CB 1.022 29.760 28.738 -0.001 0.000 1.176 219 Q HN 1.376 nan 8.270 nan 0.000 0.478 220 G N 1.160 109.972 108.800 0.019 0.000 2.179 220 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 220 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 220 G C -0.176 174.738 174.900 0.024 0.000 0.990 220 G CA -0.498 44.615 45.100 0.022 0.000 0.646 220 G HN 0.285 nan 8.290 nan 0.000 0.517 221 N N 0.692 119.408 118.700 0.025 0.000 2.314 221 N HA 0.761 5.501 4.740 0.000 0.000 0.304 221 N C -0.268 175.265 175.510 0.039 0.000 1.073 221 N CA 0.491 53.555 53.050 0.023 0.000 0.822 221 N CB 2.099 40.592 38.487 0.011 0.000 1.280 221 N HN 0.965 nan 8.380 nan 0.000 0.489 222 A N 1.420 124.262 122.820 0.038 0.000 2.574 222 A HA 0.746 5.066 4.320 0.000 0.000 0.297 222 A C -0.809 176.789 177.584 0.023 0.000 1.062 222 A CA -0.744 51.326 52.037 0.054 0.000 0.686 222 A CB 1.210 20.265 19.000 0.093 0.000 1.285 222 A HN 0.670 nan 8.150 nan 0.000 0.403 223 I N -0.931 119.643 120.570 0.007 0.000 3.042 223 I HA 0.829 4.999 4.170 0.000 0.000 0.310 223 I C -0.474 175.616 176.117 -0.046 0.000 1.117 223 I CA -1.058 60.202 61.300 -0.067 0.000 1.003 223 I CB 2.185 40.106 38.000 -0.130 0.000 1.228 223 I HN 0.943 nan 8.210 nan 0.000 0.443 224 H N 2.830 121.822 119.070 -0.130 0.000 2.502 224 H HA 0.647 5.203 4.556 0.000 0.000 0.338 224 H C -0.998 174.187 175.328 -0.238 0.000 1.155 224 H CA -1.156 54.758 56.048 -0.223 0.000 1.237 224 H CB 1.767 31.248 29.762 -0.468 0.000 1.534 224 H HN 0.651 nan 8.280 nan 0.000 0.523 225 L N 2.845 124.022 121.223 -0.076 0.000 3.141 225 L HA 0.388 4.728 4.340 0.000 0.000 0.263 225 L C 0.823 177.674 176.870 -0.032 0.000 1.312 225 L CA 0.067 54.860 54.840 -0.078 0.000 1.012 225 L CB -0.239 41.796 42.059 -0.040 0.000 1.408 225 L HN 1.217 nan 8.230 nan 0.000 0.559 226 G N 1.484 110.252 108.800 -0.054 0.000 2.645 226 G HA2 -0.246 3.715 3.960 0.000 0.000 0.239 226 G HA3 -0.246 3.715 3.960 0.000 0.000 0.239 226 G C -0.865 174.046 174.900 0.019 0.000 1.331 226 G CA 0.046 45.073 45.100 -0.122 0.000 0.890 226 G HN 0.513 nan 8.290 nan 0.000 0.572 227 D N -1.038 119.478 120.400 0.194 0.000 2.585 227 D HA 0.804 5.444 4.640 0.000 0.000 0.254 227 D C 0.199 176.580 176.300 0.135 0.000 1.067 227 D CA -0.850 53.277 54.000 0.211 0.000 1.090 227 D CB 0.942 41.913 40.800 0.284 0.000 1.408 227 D HN 0.829 nan 8.370 nan 0.000 0.554 228 R N -0.828 119.763 120.500 0.152 0.000 2.740 228 R HA 0.477 4.817 4.340 0.000 0.000 0.273 228 R C -1.479 174.915 176.300 0.157 0.000 0.998 228 R CA -0.965 55.204 56.100 0.115 0.000 0.900 228 R CB 1.945 32.305 30.300 0.101 0.000 1.223 228 R HN 0.498 nan 8.270 nan 0.000 0.466 229 D N 0.958 121.433 120.400 0.125 0.000 2.256 229 D HA 0.284 4.925 4.640 0.000 0.000 0.240 229 D C -0.648 175.719 176.300 0.112 0.000 1.062 229 D CA -0.407 53.683 54.000 0.150 0.000 0.832 229 D CB 1.444 42.320 40.800 0.127 0.000 1.135 229 D HN 0.567 nan 8.370 nan 0.000 0.484 230 C N 2.966 122.308 119.300 0.070 0.000 2.955 230 C HA 0.257 4.717 4.460 0.000 0.000 0.229 230 C C 1.722 176.652 174.990 -0.101 0.000 1.842 230 C CA -0.524 58.426 59.018 -0.113 0.000 1.539 230 C CB -1.051 26.444 27.740 -0.407 0.000 2.869 230 C HN 0.518 nan 8.230 nan 0.000 0.503 231 S N 0.695 116.427 115.700 0.053 0.000 2.436 231 S HA 0.102 4.572 4.470 0.000 0.000 0.228 231 S C 0.841 175.466 174.600 0.042 0.000 1.014 231 S CA 0.571 58.817 58.200 0.078 0.000 0.950 231 S CB -0.036 63.233 63.200 0.116 0.000 0.784 231 S HN 0.672 nan 8.310 nan 0.000 0.504 232 L N 2.974 124.213 121.223 0.027 0.000 2.536 232 L HA 0.165 4.505 4.340 0.000 0.000 0.282 232 L C -0.082 176.757 176.870 -0.052 0.000 1.147 232 L CA 0.210 55.043 54.840 -0.012 0.000 0.936 232 L CB -0.151 41.844 42.059 -0.107 0.000 1.279 232 L HN 0.256 nan 8.230 nan 0.000 0.461 233 Q N 3.462 123.228 119.800 -0.057 0.000 2.397 233 Q HA 0.554 4.894 4.340 0.000 0.000 0.275 233 Q C -0.842 175.071 176.000 -0.146 0.000 1.090 233 Q CA -0.881 54.862 55.803 -0.100 0.000 0.809 233 Q CB 3.277 31.960 28.738 -0.092 0.000 1.362 233 Q HN 0.398 nan 8.270 nan 0.000 0.431 234 R N 1.629 122.015 120.500 -0.188 0.000 2.451 234 R HA 0.312 4.652 4.340 0.000 0.000 0.307 234 R C -0.579 175.572 176.300 -0.250 0.000 0.965 234 R CA -0.339 55.603 56.100 -0.262 0.000 0.865 234 R CB 0.701 30.768 30.300 -0.389 0.000 1.174 234 R HN 0.639 nan 8.270 nan 0.000 0.455 235 R N 4.091 124.426 120.500 -0.275 0.000 3.516 235 R HA -0.208 4.132 4.340 0.000 0.000 0.271 235 R C -0.494 175.740 176.300 -0.110 0.000 1.098 235 R CA 1.288 57.263 56.100 -0.209 0.000 0.732 235 R CB -2.078 28.155 30.300 -0.111 0.000 1.152 235 R HN 1.037 nan 8.270 nan 0.000 0.455 236 H N -2.884 116.155 119.070 -0.051 0.000 3.211 236 H HA -0.150 4.406 4.556 0.000 0.000 0.240 236 H C -0.072 175.224 175.328 -0.054 0.000 1.148 236 H CA 1.545 57.571 56.048 -0.037 0.000 1.160 236 H CB -0.720 29.031 29.762 -0.019 0.000 1.232 236 H HN 0.378 nan 8.280 nan 0.000 0.321 237 Q N 1.829 121.616 119.800 -0.022 0.000 2.274 237 Q HA 0.377 4.717 4.340 0.000 0.000 0.256 237 Q C 0.562 176.518 176.000 -0.073 0.000 0.927 237 Q CA -0.266 55.511 55.803 -0.044 0.000 0.939 237 Q CB 1.484 30.188 28.738 -0.056 0.000 1.201 237 Q HN 0.303 nan 8.270 nan 0.000 0.426 238 K N 0.853 121.208 120.400 -0.076 0.000 2.355 238 K HA 0.167 4.487 4.320 0.000 0.000 0.270 238 K C 0.610 177.180 176.600 -0.051 0.000 1.003 238 K CA -0.171 56.062 56.287 -0.090 0.000 0.957 238 K CB 0.870 33.296 32.500 -0.124 0.000 0.939 238 K HN 0.286 nan 8.250 nan 0.000 0.482 239 V N 2.334 122.228 119.914 -0.035 0.000 2.948 239 V HA 0.188 4.308 4.120 0.000 0.000 0.234 239 V C 0.458 176.618 176.094 0.111 0.000 1.205 239 V CA 0.319 62.637 62.300 0.030 0.000 1.234 239 V CB 0.266 32.072 31.823 -0.029 0.000 1.020 239 V HN 0.590 nan 8.190 nan 0.000 0.491 240 I N 0.577 121.170 120.570 0.038 0.000 2.608 240 I HA 0.557 4.727 4.170 0.000 0.000 0.295 240 I C -1.064 175.076 176.117 0.038 0.000 1.049 240 I CA -0.431 60.895 61.300 0.043 0.000 1.063 240 I CB 2.387 40.386 38.000 -0.002 0.000 1.248 240 I HN 0.215 nan 8.210 nan 0.000 0.424 241 E N 4.086 124.317 120.200 0.052 0.000 2.312 241 E HA 0.561 4.912 4.350 0.000 0.000 0.267 241 E C -1.390 175.268 176.600 0.096 0.000 0.894 241 E CA -0.864 55.570 56.400 0.056 0.000 0.773 241 E CB 2.409 32.110 29.700 0.002 0.000 1.241 241 E HN 0.598 nan 8.360 nan 0.000 0.432 242 E N 0.048 120.307 120.200 0.098 0.000 2.408 242 E HA 0.866 5.216 4.350 0.000 0.000 0.275 242 E C -1.477 175.100 176.600 -0.038 0.000 0.935 242 E CA -1.557 54.886 56.400 0.072 0.000 0.775 242 E CB 1.993 31.826 29.700 0.222 0.000 1.277 242 E HN 0.427 nan 8.360 nan 0.000 0.455 243 A N 1.683 124.373 122.820 -0.216 0.000 2.520 243 A HA 0.658 4.978 4.320 0.000 0.000 0.298 243 A C -2.780 174.505 177.584 -0.498 0.000 1.051 243 A CA -1.558 50.346 52.037 -0.222 0.000 0.690 243 A CB 1.586 20.528 19.000 -0.096 0.000 1.281 243 A HN 0.521 nan 8.150 nan 0.000 0.402 244 P HA 0.371 nan 4.420 nan 0.000 0.274 244 P C 0.086 177.364 177.300 -0.036 0.000 1.256 244 P CA -0.007 63.053 63.100 -0.067 0.000 0.795 244 P CB 0.698 32.416 31.700 0.031 0.000 1.038 245 A N 2.017 124.856 122.820 0.032 0.000 2.524 245 A HA 0.352 4.672 4.320 0.000 0.000 0.250 245 A C -1.893 175.712 177.584 0.035 0.000 1.078 245 A CA -0.865 51.195 52.037 0.039 0.000 0.761 245 A CB -1.373 17.631 19.000 0.007 0.000 1.012 245 A HN 0.407 nan 8.150 nan 0.000 0.500 246 P HA 0.365 nan 4.420 nan 0.000 0.279 246 P C 0.573 177.857 177.300 -0.027 0.000 1.252 246 P CA 0.885 64.012 63.100 0.045 0.000 0.811 246 P CB 0.786 32.508 31.700 0.037 0.000 1.035 247 G N 1.622 110.405 108.800 -0.029 0.000 2.350 247 G HA2 -0.176 3.784 3.960 0.000 0.000 0.298 247 G HA3 -0.176 3.784 3.960 0.000 0.000 0.298 247 G C -0.208 174.653 174.900 -0.065 0.000 1.037 247 G CA -0.344 44.737 45.100 -0.032 0.000 1.074 247 G HN 0.436 nan 8.290 nan 0.000 0.511 248 I N 0.069 120.567 120.570 -0.121 0.000 2.441 248 I HA 0.270 4.440 4.170 0.000 0.000 0.295 248 I C 0.401 176.467 176.117 -0.085 0.000 0.994 248 I CA -1.458 59.696 61.300 -0.244 0.000 1.144 248 I CB 1.675 39.454 38.000 -0.368 0.000 1.314 248 I HN 0.295 nan 8.210 nan 0.000 0.445 249 D N 3.869 124.279 120.400 0.017 0.000 2.451 249 D HA -0.071 4.569 4.640 0.000 0.000 0.254 249 D C 1.162 177.452 176.300 -0.017 0.000 1.204 249 D CA 0.373 54.391 54.000 0.030 0.000 0.896 249 D CB 0.984 41.828 40.800 0.073 0.000 1.136 249 D HN 0.478 nan 8.370 nan 0.000 0.499 250 E N 3.610 123.789 120.200 -0.036 0.000 2.110 250 E HA -0.200 4.150 4.350 0.000 0.000 0.193 250 E C 1.346 177.895 176.600 -0.086 0.000 0.988 250 E CA 1.495 57.855 56.400 -0.067 0.000 0.804 250 E CB 0.189 29.866 29.700 -0.039 0.000 0.745 250 E HN 0.510 nan 8.360 nan 0.000 0.458 251 K N -0.405 119.964 120.400 -0.052 0.000 2.026 251 K HA -0.082 4.238 4.320 0.000 0.000 0.208 251 K C 2.139 178.695 176.600 -0.075 0.000 1.048 251 K CA 1.179 57.432 56.287 -0.056 0.000 0.929 251 K CB -0.242 32.239 32.500 -0.031 0.000 0.713 251 K HN 0.179 nan 8.250 nan 0.000 0.439 252 A N 1.706 124.511 122.820 -0.024 0.000 1.933 252 A HA -0.214 4.106 4.320 0.000 0.000 0.218 252 A C 2.097 179.639 177.584 -0.069 0.000 1.175 252 A CA 1.634 53.693 52.037 0.036 0.000 0.628 252 A CB -0.513 18.593 19.000 0.178 0.000 0.814 252 A HN 0.296 nan 8.150 nan 0.000 0.444 253 R N -0.933 119.470 120.500 -0.163 0.000 2.070 253 R HA -0.177 4.164 4.340 0.000 0.000 0.233 253 R C 2.143 177.883 176.300 -0.934 0.000 1.137 253 R CA 1.747 57.470 56.100 -0.628 0.000 0.945 253 R CB -0.342 29.612 30.300 -0.577 0.000 0.845 253 R HN 0.430 nan 8.270 nan 0.000 0.430 254 Q N 0.527 120.006 119.800 -0.535 0.000 2.170 254 Q HA -0.200 4.140 4.340 0.000 0.000 0.203 254 Q C 1.826 177.681 176.000 -0.241 0.000 0.976 254 Q CA 1.702 57.307 55.803 -0.330 0.000 0.858 254 Q CB -0.142 28.523 28.738 -0.123 0.000 0.907 254 Q HN 0.587 nan 8.270 nan 0.000 0.433 255 E N -0.091 119.964 120.200 -0.242 0.000 2.072 255 E HA -0.118 4.232 4.350 0.000 0.000 0.191 255 E C 1.961 178.409 176.600 -0.254 0.000 0.985 255 E CA 0.857 57.147 56.400 -0.183 0.000 0.801 255 E CB 0.147 29.767 29.700 -0.134 0.000 0.750 255 E HN 0.109 nan 8.360 nan 0.000 0.452 256 V N 0.258 119.902 119.914 -0.450 0.000 2.453 256 V HA -0.170 3.951 4.120 0.000 0.000 0.247 256 V C 1.814 177.685 176.094 -0.373 0.000 1.048 256 V CA 1.345 63.298 62.300 -0.578 0.000 1.049 256 V CB -0.442 30.647 31.823 -1.223 0.000 0.672 256 V HN 0.380 nan 8.190 nan 0.000 0.457 257 F N 0.459 120.124 119.950 -0.476 0.000 2.065 257 F HA -0.267 4.261 4.527 0.000 0.000 0.298 257 F C 2.572 178.232 175.800 -0.233 0.000 1.112 257 F CA 1.166 58.908 58.000 -0.429 0.000 1.212 257 F CB -0.586 38.021 39.000 -0.655 0.000 0.975 257 F HN 0.296 nan 8.300 nan 0.000 0.476 258 A N 0.272 123.105 122.820 0.022 0.000 1.902 258 A HA -0.229 4.092 4.320 0.000 0.000 0.217 258 A C 2.003 179.554 177.584 -0.055 0.000 1.181 258 A CA 1.754 53.794 52.037 0.005 0.000 0.623 258 A CB -0.662 18.333 19.000 -0.008 0.000 0.818 258 A HN 0.248 nan 8.150 nan 0.000 0.443 259 R N -0.990 119.441 120.500 -0.114 0.000 2.092 259 R HA -0.078 4.262 4.340 0.000 0.000 0.231 259 R C 2.139 178.295 176.300 -0.240 0.000 1.119 259 R CA 1.585 57.594 56.100 -0.152 0.000 0.970 259 R CB -1.008 29.196 30.300 -0.161 0.000 0.864 259 R HN 0.634 nan 8.270 nan 0.000 0.440 260 C N -0.866 118.249 119.300 -0.307 0.000 2.446 260 C HA -0.027 4.434 4.460 0.000 0.000 0.277 260 C C 2.538 177.359 174.990 -0.281 0.000 1.275 260 C CA 0.460 59.127 59.018 -0.586 0.000 1.727 260 C CB -0.626 26.821 27.740 -0.487 0.000 2.010 260 C HN 0.278 nan 8.230 nan 0.000 0.486 261 V N 0.769 120.634 119.914 -0.083 0.000 2.343 261 V HA -0.296 3.825 4.120 0.000 0.000 0.247 261 V C 2.540 178.633 176.094 -0.002 0.000 1.051 261 V CA 2.315 64.622 62.300 0.011 0.000 1.036 261 V CB -0.892 30.960 31.823 0.049 0.000 0.654 261 V HN 0.653 nan 8.190 nan 0.000 0.451 262 Q N 0.054 119.831 119.800 -0.038 0.000 2.050 262 Q HA -0.236 4.105 4.340 0.000 0.000 0.202 262 Q C 2.266 178.249 176.000 -0.027 0.000 0.980 262 Q CA 2.161 57.946 55.803 -0.029 0.000 0.840 262 Q CB -0.340 28.372 28.738 -0.044 0.000 0.898 262 Q HN 0.604 nan 8.270 nan 0.000 0.424 263 A N 0.460 123.232 122.820 -0.080 0.000 1.917 263 A HA -0.256 4.065 4.320 0.000 0.000 0.219 263 A C 2.410 180.039 177.584 0.075 0.000 1.182 263 A CA 1.658 53.667 52.037 -0.046 0.000 0.633 263 A CB -1.280 17.619 19.000 -0.169 0.000 0.819 263 A HN 0.682 nan 8.150 nan 0.000 0.448 264 C N -0.796 118.578 119.300 0.123 0.000 2.413 264 C HA -0.138 4.322 4.460 0.000 0.000 0.276 264 C C 2.577 177.664 174.990 0.161 0.000 1.236 264 C CA 1.109 60.249 59.018 0.202 0.000 1.735 264 C CB -1.397 26.467 27.740 0.207 0.000 2.031 264 C HN 0.640 nan 8.230 nan 0.000 0.474 265 I N 0.459 121.088 120.570 0.098 0.000 2.252 265 I HA -0.195 3.975 4.170 0.000 0.000 0.245 265 I C 2.554 178.707 176.117 0.061 0.000 1.102 265 I CA 1.581 62.923 61.300 0.071 0.000 1.385 265 I CB -0.554 37.472 38.000 0.044 0.000 1.064 265 I HN 0.465 nan 8.210 nan 0.000 0.414 266 E N 0.938 121.169 120.200 0.051 0.000 2.072 266 E HA -0.182 4.168 4.350 0.000 0.000 0.191 266 E C 2.133 178.765 176.600 0.053 0.000 0.985 266 E CA 1.468 57.891 56.400 0.038 0.000 0.801 266 E CB -0.094 29.617 29.700 0.017 0.000 0.750 266 E HN 0.630 nan 8.360 nan 0.000 0.452 267 I N -2.753 117.867 120.570 0.083 0.000 3.684 267 I HA 0.267 4.437 4.170 0.000 0.000 0.304 267 I C 1.001 177.183 176.117 0.109 0.000 1.278 267 I CA 0.556 61.915 61.300 0.098 0.000 1.272 267 I CB -0.085 37.992 38.000 0.129 0.000 1.029 267 I HN 0.089 nan 8.210 nan 0.000 0.458 268 G N 1.654 110.518 108.800 0.107 0.000 2.272 268 G HA2 -0.349 3.611 3.960 0.000 0.000 0.280 268 G HA3 -0.349 3.611 3.960 0.000 0.000 0.280 268 G C -0.122 174.841 174.900 0.104 0.000 1.067 268 G CA 0.171 45.322 45.100 0.086 0.000 0.902 268 G HN 0.666 nan 8.290 nan 0.000 0.500 269 Y N 0.401 120.729 120.300 0.047 0.000 2.425 269 Y HA 0.526 5.076 4.550 0.000 0.000 0.331 269 Y C 0.913 176.833 175.900 0.033 0.000 1.157 269 Y CA -0.160 57.967 58.100 0.046 0.000 1.372 269 Y CB 0.627 39.128 38.460 0.068 0.000 1.253 269 Y HN 0.340 nan 8.280 nan 0.000 0.536 270 R N 4.181 124.341 120.500 -0.566 0.000 2.502 270 R HA 0.558 4.898 4.340 0.000 0.000 0.300 270 R C -0.475 175.547 176.300 -0.463 0.000 0.984 270 R CA 0.269 56.171 56.100 -0.330 0.000 0.882 270 R CB 1.004 31.181 30.300 -0.206 0.000 1.180 270 R HN 1.014 nan 8.270 nan 0.000 0.444 271 G N 1.963 110.662 108.800 -0.169 0.000 2.342 271 G HA2 0.085 4.046 3.960 0.000 0.000 0.220 271 G HA3 0.085 4.046 3.960 0.000 0.000 0.220 271 G C -1.437 173.542 174.900 0.132 0.000 1.243 271 G CA -0.434 44.613 45.100 -0.088 0.000 1.083 271 G HN 0.767 nan 8.290 nan 0.000 0.500 272 A N -0.411 122.475 122.820 0.111 0.000 2.309 272 A HA 0.960 5.280 4.320 0.000 0.000 0.298 272 A C 0.692 178.417 177.584 0.235 0.000 1.165 272 A CA 0.999 53.123 52.037 0.143 0.000 0.821 272 A CB 1.058 20.085 19.000 0.045 0.000 1.102 272 A HN 2.494 nan 8.150 nan 0.000 0.500 273 G N -0.173 108.682 108.800 0.092 0.000 2.692 273 G HA2 0.611 4.571 3.960 0.000 0.000 0.291 273 G HA3 0.611 4.571 3.960 0.000 0.000 0.291 273 G C -1.129 173.642 174.900 -0.216 0.000 1.423 273 G CA -0.391 44.625 45.100 -0.140 0.000 0.843 273 G HN 0.747 nan 8.290 nan 0.000 0.486 274 T N 0.648 115.024 114.554 -0.297 0.000 2.879 274 T HA 0.491 4.841 4.350 0.000 0.000 0.290 274 T C -1.218 173.291 174.700 -0.319 0.000 0.993 274 T CA -0.176 61.820 62.100 -0.174 0.000 0.975 274 T CB 1.008 69.862 68.868 -0.023 0.000 0.981 274 T HN 0.288 nan 8.240 nan 0.000 0.439 275 F N 2.358 122.338 119.950 0.049 0.000 2.371 275 F HA 0.328 4.855 4.527 0.000 0.000 0.363 275 F C 1.127 176.871 175.800 -0.093 0.000 1.122 275 F CA -0.802 57.206 58.000 0.013 0.000 1.129 275 F CB 0.706 39.784 39.000 0.131 0.000 1.173 275 F HN 0.421 nan 8.300 nan 0.000 0.489 276 E N 3.817 123.918 120.200 -0.165 0.000 2.259 276 E HA 0.406 4.757 4.350 0.000 0.000 0.281 276 E C -1.132 175.156 176.600 -0.520 0.000 1.027 276 E CA -0.317 55.929 56.400 -0.256 0.000 0.838 276 E CB 1.165 30.693 29.700 -0.287 0.000 1.066 276 E HN 0.351 nan 8.360 nan 0.000 0.401 277 F N 1.388 121.312 119.950 -0.043 0.000 2.577 277 F HA 0.371 4.898 4.527 0.000 0.000 0.318 277 F C -0.109 175.682 175.800 -0.016 0.000 1.065 277 F CA -0.950 57.096 58.000 0.077 0.000 0.929 277 F CB 1.095 40.311 39.000 0.361 0.000 1.237 277 F HN 0.172 nan 8.300 nan 0.000 0.468 278 L N 2.537 123.904 121.223 0.239 0.000 2.276 278 L HA 0.268 4.608 4.340 0.000 0.000 0.286 278 L C -1.126 175.834 176.870 0.149 0.000 1.061 278 L CA -0.639 54.302 54.840 0.168 0.000 0.807 278 L CB 0.828 42.975 42.059 0.146 0.000 1.177 278 L HN 0.603 nan 8.230 nan 0.000 0.429 279 Y N 3.498 123.735 120.300 -0.106 0.000 2.335 279 Y HA 0.337 4.888 4.550 0.000 0.000 0.339 279 Y C -0.217 175.516 175.900 -0.278 0.000 0.987 279 Y CA -0.613 57.247 58.100 -0.399 0.000 1.140 279 Y CB 1.322 39.466 38.460 -0.528 0.000 1.173 279 Y HN 0.542 nan 8.280 nan 0.000 0.486 280 E N 5.702 125.410 120.200 -0.820 0.000 2.267 280 E HA 0.283 4.633 4.350 0.000 0.000 0.248 280 E C -1.058 175.103 176.600 -0.732 0.000 0.899 280 E CA -0.579 55.493 56.400 -0.546 0.000 0.764 280 E CB 0.073 29.654 29.700 -0.198 0.000 1.227 280 E HN 0.656 nan 8.360 nan 0.000 0.421 281 N N 4.204 122.508 118.700 -0.660 0.000 2.725 281 N HA -0.240 4.500 4.740 0.000 0.000 0.280 281 N C 0.710 175.919 175.510 -0.502 0.000 1.017 281 N CA 1.804 54.583 53.050 -0.452 0.000 0.813 281 N CB -1.022 37.344 38.487 -0.201 0.000 0.931 281 N HN 0.994 nan 8.380 nan 0.000 0.570 282 G N -0.930 107.404 108.800 -0.777 0.000 2.213 282 G HA2 -0.301 3.659 3.960 0.000 0.000 0.236 282 G HA3 -0.301 3.659 3.960 0.000 0.000 0.236 282 G C 0.046 174.686 174.900 -0.433 0.000 0.991 282 G CA 0.189 45.057 45.100 -0.387 0.000 0.629 282 G HN 0.596 nan 8.290 nan 0.000 0.517 283 R N -0.645 119.403 120.500 -0.753 0.000 2.670 283 R HA 0.649 4.989 4.340 0.000 0.000 0.289 283 R C -1.194 174.578 176.300 -0.879 0.000 0.965 283 R CA -0.748 54.972 56.100 -0.633 0.000 0.899 283 R CB 1.248 31.198 30.300 -0.583 0.000 1.173 283 R HN 0.050 nan 8.270 nan 0.000 0.456 284 F N 2.223 121.887 119.950 -0.478 0.000 2.415 284 F HA 0.374 4.901 4.527 0.000 0.000 0.348 284 F C -0.274 175.377 175.800 -0.247 0.000 1.119 284 F CA -0.321 57.477 58.000 -0.336 0.000 1.069 284 F CB 0.965 39.684 39.000 -0.467 0.000 1.124 284 F HN 0.336 nan 8.300 nan 0.000 0.472 285 Y N 3.500 124.053 120.300 0.421 0.000 2.350 285 Y HA 0.301 4.851 4.550 0.000 0.000 0.338 285 Y C -0.286 175.913 175.900 0.498 0.000 0.961 285 Y CA -1.368 56.961 58.100 0.381 0.000 1.100 285 Y CB 1.402 39.961 38.460 0.164 0.000 1.179 285 Y HN 0.502 nan 8.280 nan 0.000 0.454 286 F N 4.340 124.550 119.950 0.432 0.000 2.484 286 F HA 0.266 4.793 4.527 0.000 0.000 0.360 286 F C 0.136 175.916 175.800 -0.034 0.000 1.101 286 F CA 0.235 58.232 58.000 -0.005 0.000 1.251 286 F CB 0.525 39.520 39.000 -0.008 0.000 1.132 286 F HN 0.511 nan 8.300 nan 0.000 0.570 287 I N 2.500 122.478 120.570 -0.986 0.000 3.345 287 I HA 0.157 4.328 4.170 0.000 0.000 0.258 287 I C -0.374 175.051 176.117 -1.153 0.000 1.134 287 I CA 0.076 60.908 61.300 -0.780 0.000 1.457 287 I CB 0.175 37.904 38.000 -0.451 0.000 1.425 287 I HN 0.661 nan 8.210 nan 0.000 0.461 288 E N 0.638 120.055 120.200 -1.305 0.000 2.409 288 E HA 0.360 4.710 4.350 0.000 0.000 0.280 288 E C -1.158 175.240 176.600 -0.336 0.000 1.079 288 E CA -0.800 55.130 56.400 -0.784 0.000 0.840 288 E CB 1.970 31.474 29.700 -0.327 0.000 1.309 288 E HN -0.021 nan 8.360 nan 0.000 0.447 289 M N 2.282 121.890 119.600 0.013 0.000 2.205 289 M HA 0.372 4.852 4.480 0.000 0.000 0.344 289 M C -1.355 174.867 176.300 -0.129 0.000 1.085 289 M CA -0.712 54.520 55.300 -0.113 0.000 1.001 289 M CB 1.076 33.562 32.600 -0.190 0.000 1.626 289 M HN 0.450 nan 8.290 nan 0.000 0.442 290 N N 3.477 122.084 118.700 -0.154 0.000 2.408 290 N HA 0.155 4.895 4.740 0.000 0.000 0.257 290 N C -0.312 175.165 175.510 -0.055 0.000 1.064 290 N CA 0.007 53.017 53.050 -0.066 0.000 0.952 290 N CB 1.199 39.667 38.487 -0.032 0.000 1.093 290 N HN 0.588 nan 8.380 nan 0.000 0.490 291 T N 0.505 115.088 114.554 0.050 0.000 3.783 291 T HA 0.414 4.764 4.350 0.000 0.000 0.262 291 T C 0.393 175.220 174.700 0.212 0.000 1.381 291 T CA -0.700 61.520 62.100 0.200 0.000 1.155 291 T CB -0.477 68.546 68.868 0.258 0.000 1.256 291 T HN 0.735 nan 8.240 nan 0.000 0.807 292 R N -1.503 119.093 120.500 0.160 0.000 3.012 292 R HA 0.551 4.892 4.340 0.000 0.000 0.287 292 R C -1.792 174.569 176.300 0.101 0.000 0.990 292 R CA -1.122 55.053 56.100 0.125 0.000 0.839 292 R CB 0.524 30.911 30.300 0.145 0.000 1.317 292 R HN 0.065 nan 8.270 nan 0.000 0.518 293 V N 0.781 120.757 119.914 0.105 0.000 3.051 293 V HA 0.207 4.327 4.120 0.000 0.000 0.306 293 V C -0.374 175.812 176.094 0.155 0.000 1.083 293 V CA 0.323 62.676 62.300 0.089 0.000 1.104 293 V CB 1.429 33.270 31.823 0.029 0.000 1.027 293 V HN 0.688 nan 8.190 nan 0.000 0.483 294 Q N 2.391 122.275 119.800 0.140 0.000 2.351 294 Q HA 0.385 4.725 4.340 0.000 0.000 0.273 294 Q C 0.773 176.830 176.000 0.094 0.000 1.077 294 Q CA -0.844 55.000 55.803 0.069 0.000 0.843 294 Q CB 2.022 30.778 28.738 0.031 0.000 1.367 294 Q HN 0.582 nan 8.270 nan 0.000 0.449 295 V N 1.144 120.870 119.914 -0.312 0.000 2.324 295 V HA -0.276 3.844 4.120 0.000 0.000 0.250 295 V C 1.765 177.804 176.094 -0.092 0.000 1.060 295 V CA 2.337 64.435 62.300 -0.336 0.000 1.042 295 V CB -0.531 30.993 31.823 -0.497 0.000 0.650 295 V HN 0.831 nan 8.190 nan 0.000 0.450 296 E N 0.862 121.016 120.200 -0.075 0.000 2.445 296 E HA -0.134 4.217 4.350 0.000 0.000 0.189 296 E C 1.697 178.258 176.600 -0.066 0.000 1.069 296 E CA 0.336 56.687 56.400 -0.083 0.000 0.871 296 E CB -0.787 28.880 29.700 -0.055 0.000 0.991 296 E HN 0.907 nan 8.360 nan 0.000 0.481 297 H N 0.965 120.032 119.070 -0.005 0.000 2.426 297 H HA 0.005 4.561 4.556 0.000 0.000 0.298 297 H C -0.970 174.355 175.328 -0.005 0.000 1.107 297 H CA 1.063 57.115 56.048 0.007 0.000 1.298 297 H CB -1.730 28.049 29.762 0.028 0.000 1.377 297 H HN 0.159 nan 8.280 nan 0.000 0.519 298 P HA -0.155 nan 4.420 nan 0.000 0.217 298 P C 2.312 179.530 177.300 -0.137 0.000 1.148 298 P CA 2.015 64.944 63.100 -0.284 0.000 0.828 298 P CB -0.267 31.246 31.700 -0.312 0.000 0.783 299 V N -3.411 116.439 119.914 -0.106 0.000 2.407 299 V HA -0.215 3.906 4.120 0.000 0.000 0.248 299 V C 2.022 178.071 176.094 -0.075 0.000 1.055 299 V CA 2.359 64.615 62.300 -0.073 0.000 1.049 299 V CB -1.792 30.005 31.823 -0.044 0.000 0.662 299 V HN 0.019 nan 8.190 nan 0.000 0.455 300 S N 0.164 115.838 115.700 -0.042 0.000 2.402 300 S HA -0.122 4.349 4.470 0.000 0.000 0.229 300 S C 1.873 176.442 174.600 -0.052 0.000 1.021 300 S CA 1.603 59.786 58.200 -0.028 0.000 0.974 300 S CB -0.348 62.862 63.200 0.017 0.000 0.800 300 S HN 0.778 nan 8.310 nan 0.000 0.484 301 E N 0.858 121.031 120.200 -0.045 0.000 2.077 301 E HA -0.131 4.219 4.350 0.000 0.000 0.193 301 E C 1.977 178.480 176.600 -0.161 0.000 0.989 301 E CA 1.033 57.396 56.400 -0.063 0.000 0.800 301 E CB -0.174 29.514 29.700 -0.019 0.000 0.746 301 E HN 0.369 nan 8.360 nan 0.000 0.452 302 M N 0.560 120.017 119.600 -0.239 0.000 2.086 302 M HA -0.119 4.361 4.480 0.000 0.000 0.261 302 M C 2.697 178.580 176.300 -0.695 0.000 1.067 302 M CA 1.201 56.193 55.300 -0.514 0.000 1.116 302 M CB -1.192 31.102 32.600 -0.510 0.000 1.348 302 M HN 0.160 nan 8.290 nan 0.000 0.407 303 V N -2.011 117.691 119.914 -0.354 0.000 3.217 303 V HA -0.050 4.070 4.120 0.000 0.000 0.264 303 V C 1.880 177.933 176.094 -0.068 0.000 1.135 303 V CA 1.819 64.042 62.300 -0.130 0.000 1.142 303 V CB -1.576 30.250 31.823 0.006 0.000 0.754 303 V HN 0.596 nan 8.190 nan 0.000 0.484 304 T N -4.412 110.081 114.554 -0.101 0.000 2.969 304 T HA 0.427 4.777 4.350 0.000 0.000 0.250 304 T C 1.778 176.439 174.700 -0.065 0.000 1.021 304 T CA 0.914 62.978 62.100 -0.060 0.000 1.003 304 T CB 0.442 69.276 68.868 -0.056 0.000 1.040 304 T HN 1.501 nan 8.240 nan 0.000 0.492 305 G N 1.204 109.945 108.800 -0.099 0.000 2.168 305 G HA2 -0.230 3.730 3.960 0.000 0.000 0.263 305 G HA3 -0.230 3.730 3.960 0.000 0.000 0.263 305 G C 0.062 174.931 174.900 -0.051 0.000 0.977 305 G CA 0.195 45.250 45.100 -0.075 0.000 0.659 305 G HN 0.765 nan 8.290 nan 0.000 0.533 306 V N 1.185 121.070 119.914 -0.048 0.000 2.465 306 V HA 0.435 4.556 4.120 0.000 0.000 0.279 306 V C 0.200 176.284 176.094 -0.017 0.000 1.045 306 V CA -0.740 61.540 62.300 -0.032 0.000 0.938 306 V CB 1.877 33.679 31.823 -0.035 0.000 0.986 306 V HN 0.327 nan 8.190 nan 0.000 0.467 307 D N 3.990 124.385 120.400 -0.008 0.000 2.380 307 D HA 0.268 4.908 4.640 0.000 0.000 0.230 307 D C 0.912 177.218 176.300 0.011 0.000 1.154 307 D CA -0.077 53.928 54.000 0.008 0.000 0.859 307 D CB 1.239 42.042 40.800 0.004 0.000 1.045 307 D HN 0.458 nan 8.370 nan 0.000 0.495 308 I N 3.100 123.688 120.570 0.030 0.000 2.252 308 I HA -0.235 3.935 4.170 0.000 0.000 0.245 308 I C 2.285 178.384 176.117 -0.030 0.000 1.102 308 I CA 0.553 61.855 61.300 0.003 0.000 1.385 308 I CB 0.187 38.199 38.000 0.020 0.000 1.064 308 I HN 0.317 nan 8.210 nan 0.000 0.414 309 V N 0.788 120.672 119.914 -0.051 0.000 2.358 309 V HA -0.265 3.856 4.120 0.000 0.000 0.246 309 V C 2.363 178.458 176.094 0.001 0.000 1.047 309 V CA 1.730 64.008 62.300 -0.036 0.000 1.035 309 V CB -0.751 31.025 31.823 -0.079 0.000 0.658 309 V HN 0.372 nan 8.190 nan 0.000 0.452 310 K N -0.264 120.134 120.400 -0.004 0.000 2.057 310 K HA -0.173 4.148 4.320 0.000 0.000 0.207 310 K C 2.252 178.848 176.600 -0.007 0.000 1.049 310 K CA 1.382 57.667 56.287 -0.003 0.000 0.931 310 K CB -0.191 32.307 32.500 -0.004 0.000 0.714 310 K HN 0.386 nan 8.250 nan 0.000 0.440 311 E N 0.724 120.918 120.200 -0.010 0.000 2.077 311 E HA -0.155 4.195 4.350 0.000 0.000 0.193 311 E C 1.982 178.568 176.600 -0.023 0.000 0.989 311 E CA 1.215 57.606 56.400 -0.014 0.000 0.800 311 E CB -0.165 29.528 29.700 -0.012 0.000 0.746 311 E HN 0.361 nan 8.360 nan 0.000 0.452 312 M N 0.144 119.728 119.600 -0.026 0.000 2.082 312 M HA -0.200 4.281 4.480 0.000 0.000 0.258 312 M C 2.401 178.658 176.300 -0.073 0.000 1.069 312 M CA 1.450 56.714 55.300 -0.061 0.000 1.102 312 M CB -0.406 32.155 32.600 -0.064 0.000 1.336 312 M HN 0.065 nan 8.290 nan 0.000 0.404 313 L N -0.792 120.411 121.223 -0.033 0.000 2.056 313 L HA -0.190 4.150 4.340 0.000 0.000 0.207 313 L C 2.611 179.462 176.870 -0.031 0.000 1.078 313 L CA 1.279 56.102 54.840 -0.027 0.000 0.749 313 L CB -0.577 41.486 42.059 0.007 0.000 0.901 313 L HN 0.249 nan 8.230 nan 0.000 0.433 314 R N 0.105 120.590 120.500 -0.024 0.000 2.073 314 R HA -0.148 4.193 4.340 0.000 0.000 0.234 314 R C 2.303 178.587 176.300 -0.028 0.000 1.134 314 R CA 1.486 57.573 56.100 -0.022 0.000 0.952 314 R CB -0.490 29.799 30.300 -0.017 0.000 0.850 314 R HN 0.304 nan 8.270 nan 0.000 0.433 315 I N 0.659 121.207 120.570 -0.036 0.000 2.179 315 I HA -0.272 3.898 4.170 0.000 0.000 0.242 315 I C 2.577 178.662 176.117 -0.052 0.000 1.088 315 I CA 1.315 62.590 61.300 -0.041 0.000 1.357 315 I CB -0.382 37.590 38.000 -0.047 0.000 1.051 315 I HN 0.213 nan 8.210 nan 0.000 0.409 316 A N 0.272 123.049 122.820 -0.071 0.000 2.019 316 A HA -0.210 4.110 4.320 0.000 0.000 0.219 316 A C 2.372 179.930 177.584 -0.043 0.000 1.164 316 A CA 1.990 53.981 52.037 -0.076 0.000 0.644 316 A CB -0.692 18.239 19.000 -0.115 0.000 0.805 316 A HN 0.531 nan 8.150 nan 0.000 0.449 317 S N -2.089 113.591 115.700 -0.033 0.000 2.603 317 S HA 0.372 4.842 4.470 0.000 0.000 0.220 317 S C 1.316 175.906 174.600 -0.017 0.000 0.967 317 S CA 1.133 59.322 58.200 -0.019 0.000 0.920 317 S CB -0.146 63.045 63.200 -0.014 0.000 0.773 317 S HN 1.872 nan 8.310 nan 0.000 0.529 318 G N 0.225 109.012 108.800 -0.021 0.000 2.184 318 G HA2 -0.176 3.784 3.960 0.000 0.000 0.206 318 G HA3 -0.176 3.784 3.960 0.000 0.000 0.206 318 G C -0.318 174.572 174.900 -0.016 0.000 0.995 318 G CA -0.177 44.912 45.100 -0.018 0.000 0.651 318 G HN 0.576 nan 8.290 nan 0.000 0.511 319 E N 1.012 121.202 120.200 -0.017 0.000 2.366 319 E HA 0.415 4.765 4.350 0.000 0.000 0.266 319 E C 0.377 176.969 176.600 -0.014 0.000 1.051 319 E CA -0.219 56.173 56.400 -0.014 0.000 0.884 319 E CB 0.854 30.545 29.700 -0.014 0.000 1.006 319 E HN 0.322 nan 8.360 nan 0.000 0.417 320 K N 1.563 121.957 120.400 -0.011 0.000 2.219 320 K HA 0.182 4.502 4.320 0.000 0.000 0.258 320 K C -0.105 176.489 176.600 -0.010 0.000 1.008 320 K CA -0.424 55.858 56.287 -0.009 0.000 0.928 320 K CB 0.441 32.937 32.500 -0.007 0.000 0.983 320 K HN 0.325 nan 8.250 nan 0.000 0.484 321 L N 3.430 124.648 121.223 -0.009 0.000 2.654 321 L HA -0.193 4.147 4.340 0.000 0.000 0.271 321 L C 1.404 178.266 176.870 -0.013 0.000 1.169 321 L CA 0.238 55.070 54.840 -0.012 0.000 0.947 321 L CB -0.581 41.471 42.059 -0.012 0.000 1.232 321 L HN 1.029 nan 8.230 nan 0.000 0.486 322 S N 2.936 118.627 115.700 -0.014 0.000 4.158 322 S HA -0.375 4.095 4.470 0.000 0.000 0.538 322 S C 0.346 174.934 174.600 -0.021 0.000 1.570 322 S CA 1.357 59.547 58.200 -0.016 0.000 3.943 322 S CB -1.277 61.913 63.200 -0.016 0.000 1.469 322 S HN 0.464 nan 8.310 nan 0.000 0.455 323 I N 3.686 124.240 120.570 -0.027 0.000 2.371 323 I HA 0.373 4.543 4.170 0.000 0.000 0.290 323 I C 1.122 177.213 176.117 -0.043 0.000 1.028 323 I CA -0.316 60.962 61.300 -0.037 0.000 1.345 323 I CB 0.698 38.671 38.000 -0.046 0.000 1.407 323 I HN 0.324 nan 8.210 nan 0.000 0.501 324 R N 3.584 124.059 120.500 -0.042 0.000 2.577 324 R HA 0.147 4.488 4.340 0.000 0.000 0.269 324 R C 0.809 177.064 176.300 -0.074 0.000 1.084 324 R CA -0.662 55.410 56.100 -0.047 0.000 1.163 324 R CB 0.620 30.900 30.300 -0.032 0.000 1.100 324 R HN 0.488 nan 8.270 nan 0.000 0.547 325 Q N 1.701 121.449 119.800 -0.086 0.000 2.124 325 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 325 Q C 1.517 177.455 176.000 -0.104 0.000 0.977 325 Q CA 2.200 57.919 55.803 -0.140 0.000 0.850 325 Q CB 0.038 28.703 28.738 -0.122 0.000 0.901 325 Q HN 0.720 nan 8.270 nan 0.000 0.429 326 E N -0.854 119.313 120.200 -0.055 0.000 2.265 326 E HA -0.189 4.161 4.350 0.000 0.000 0.196 326 E C 0.669 177.250 176.600 -0.033 0.000 0.996 326 E CA 1.309 57.691 56.400 -0.031 0.000 0.832 326 E CB -0.147 29.544 29.700 -0.015 0.000 0.756 326 E HN 0.345 nan 8.360 nan 0.000 0.491 327 D N 0.973 121.346 120.400 -0.044 0.000 2.355 327 D HA 0.020 4.660 4.640 0.000 0.000 0.218 327 D C -0.031 176.240 176.300 -0.050 0.000 1.004 327 D CA 0.326 54.303 54.000 -0.038 0.000 0.880 327 D CB 0.525 41.303 40.800 -0.037 0.000 0.911 327 D HN 0.046 nan 8.370 nan 0.000 0.528 328 V N 1.995 121.862 119.914 -0.079 0.000 2.348 328 V HA 0.189 4.309 4.120 0.000 0.000 0.270 328 V C 0.123 176.184 176.094 -0.055 0.000 1.037 328 V CA -0.452 61.791 62.300 -0.096 0.000 0.872 328 V CB 1.645 33.351 31.823 -0.195 0.000 1.002 328 V HN -0.222 nan 8.190 nan 0.000 0.464 329 V N 6.138 126.039 119.914 -0.020 0.000 2.444 329 V HA 0.444 4.564 4.120 0.000 0.000 0.294 329 V C -0.072 176.041 176.094 0.031 0.000 1.022 329 V CA -0.707 61.603 62.300 0.016 0.000 0.850 329 V CB 1.990 33.827 31.823 0.023 0.000 0.992 329 V HN 0.573 nan 8.190 nan 0.000 0.426 330 I N 5.366 125.969 120.570 0.056 0.000 2.421 330 I HA 0.350 4.520 4.170 0.000 0.000 0.291 330 I C 0.545 176.715 176.117 0.089 0.000 1.089 330 I CA 0.384 61.727 61.300 0.070 0.000 1.354 330 I CB -0.165 37.891 38.000 0.093 0.000 1.413 330 I HN 0.588 nan 8.210 nan 0.000 0.513 331 R N 3.885 124.455 120.500 0.117 0.000 2.561 331 R HA 0.658 4.999 4.340 0.000 0.000 0.297 331 R C 0.464 176.908 176.300 0.240 0.000 0.969 331 R CA -0.459 55.729 56.100 0.148 0.000 0.879 331 R CB 2.119 32.505 30.300 0.145 0.000 1.178 331 R HN 0.858 nan 8.270 nan 0.000 0.445 332 G N 1.621 110.513 108.800 0.154 0.000 2.598 332 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 332 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 332 G C -1.072 173.973 174.900 0.242 0.000 1.302 332 G CA -0.366 44.801 45.100 0.113 0.000 0.903 332 G HN 0.694 nan 8.290 nan 0.000 0.575 333 H N -0.252 118.897 119.070 0.131 0.000 2.974 333 H HA 0.670 5.226 4.556 0.000 0.000 0.366 333 H C -0.302 175.164 175.328 0.230 0.000 1.155 333 H CA 0.307 56.441 56.048 0.143 0.000 1.186 333 H CB 1.564 31.350 29.762 0.040 0.000 1.799 333 H HN 1.540 nan 8.280 nan 0.000 0.541 334 A N 4.508 127.390 122.820 0.103 0.000 2.435 334 A HA 0.700 5.020 4.320 0.000 0.000 0.304 334 A C -1.484 176.183 177.584 0.137 0.000 1.064 334 A CA -0.656 51.490 52.037 0.182 0.000 0.727 334 A CB 1.611 20.663 19.000 0.087 0.000 1.284 334 A HN 0.513 nan 8.150 nan 0.000 0.415 335 L N 0.681 121.994 121.223 0.150 0.000 2.388 335 L HA 0.635 4.976 4.340 0.000 0.000 0.264 335 L C -0.404 176.505 176.870 0.065 0.000 0.998 335 L CA -0.408 54.513 54.840 0.134 0.000 0.817 335 L CB 2.362 44.522 42.059 0.168 0.000 1.338 335 L HN 0.929 nan 8.230 nan 0.000 0.414 336 E N 1.735 121.958 120.200 0.039 0.000 2.256 336 E HA 0.413 4.763 4.350 0.000 0.000 0.268 336 E C -1.820 174.748 176.600 -0.053 0.000 0.877 336 E CA -0.581 55.808 56.400 -0.018 0.000 0.757 336 E CB 1.943 31.621 29.700 -0.037 0.000 1.183 336 E HN 0.565 nan 8.360 nan 0.000 0.418 337 C N 4.349 123.559 119.300 -0.151 0.000 2.281 337 C HA 0.465 4.925 4.460 0.000 0.000 0.325 337 C C 0.072 174.914 174.990 -0.245 0.000 1.282 337 C CA -0.693 58.094 59.018 -0.385 0.000 1.640 337 C CB 0.172 27.414 27.740 -0.830 0.000 2.288 337 C HN 0.690 nan 8.230 nan 0.000 0.507 338 R N 3.313 123.784 120.500 -0.049 0.000 2.248 338 R HA 0.337 4.678 4.340 0.000 0.000 0.328 338 R C -0.409 176.008 176.300 0.195 0.000 1.067 338 R CA -0.173 55.971 56.100 0.072 0.000 0.924 338 R CB 0.325 30.682 30.300 0.095 0.000 1.013 338 R HN 0.562 nan 8.270 nan 0.000 0.454 339 I N 3.788 124.425 120.570 0.111 0.000 2.301 339 I HA 0.127 4.297 4.170 0.000 0.000 0.292 339 I C 0.031 176.222 176.117 0.124 0.000 1.046 339 I CA -0.290 61.095 61.300 0.143 0.000 1.282 339 I CB 0.371 38.426 38.000 0.093 0.000 1.409 339 I HN 0.543 nan 8.210 nan 0.000 0.484 340 N N 4.007 122.789 118.700 0.137 0.000 2.362 340 N HA 0.543 5.284 4.740 0.000 0.000 0.298 340 N C -0.106 175.457 175.510 0.089 0.000 1.048 340 N CA -0.616 52.502 53.050 0.112 0.000 0.858 340 N CB 1.949 40.508 38.487 0.121 0.000 1.218 340 N HN 0.690 nan 8.380 nan 0.000 0.488 341 A N 2.417 125.284 122.820 0.078 0.000 2.797 341 A HA 0.158 4.478 4.320 0.000 0.000 0.296 341 A C -0.041 177.575 177.584 0.052 0.000 1.580 341 A CA 0.145 52.215 52.037 0.056 0.000 1.277 341 A CB -0.694 18.337 19.000 0.052 0.000 1.101 341 A HN 0.799 nan 8.150 nan 0.000 0.562 342 E N 1.311 121.535 120.200 0.040 0.000 2.423 342 E HA 0.237 4.588 4.350 0.000 0.000 0.280 342 E C -1.614 174.965 176.600 -0.036 0.000 1.030 342 E CA -0.980 55.436 56.400 0.028 0.000 0.812 342 E CB 0.698 30.451 29.700 0.089 0.000 1.313 342 E HN 0.256 nan 8.360 nan 0.000 0.456 343 D N 1.723 122.071 120.400 -0.085 0.000 2.458 343 D HA 0.040 4.680 4.640 0.000 0.000 0.243 343 D C -1.274 174.815 176.300 -0.351 0.000 1.146 343 D CA -1.490 52.404 54.000 -0.176 0.000 0.877 343 D CB 1.312 42.006 40.800 -0.177 0.000 1.176 343 D HN 0.225 nan 8.370 nan 0.000 0.461 344 P HA -0.035 nan 4.420 nan 0.000 0.237 344 P C 0.503 177.432 177.300 -0.618 0.000 1.178 344 P CA 0.856 63.735 63.100 -0.369 0.000 0.766 344 P CB 0.550 32.141 31.700 -0.181 0.000 0.876 345 K N -1.103 118.921 120.400 -0.626 0.000 2.424 345 K HA 0.079 4.400 4.320 0.000 0.000 0.198 345 K C 1.794 178.036 176.600 -0.597 0.000 1.190 345 K CA 1.079 57.038 56.287 -0.547 0.000 0.935 345 K CB 0.253 32.612 32.500 -0.236 0.000 1.087 345 K HN 0.096 nan 8.250 nan 0.000 0.524 346 T N -2.066 112.192 114.554 -0.493 0.000 3.022 346 T HA 0.105 4.455 4.350 0.000 0.000 0.250 346 T C 0.403 175.088 174.700 -0.024 0.000 1.060 346 T CA -0.278 61.717 62.100 -0.174 0.000 1.013 346 T CB -0.278 68.544 68.868 -0.077 0.000 0.982 346 T HN 0.127 nan 8.240 nan 0.000 0.508 347 F N 0.568 120.507 119.950 -0.018 0.000 3.093 347 F HA -0.137 4.390 4.527 0.000 0.000 0.287 347 F C 0.178 175.974 175.800 -0.007 0.000 0.882 347 F CA -0.109 57.882 58.000 -0.016 0.000 1.063 347 F CB -2.214 36.773 39.000 -0.021 0.000 1.097 347 F HN 0.254 nan 8.300 nan 0.000 0.604 348 M N 1.140 120.778 119.600 0.062 0.000 2.146 348 M HA 0.315 4.795 4.480 0.000 0.000 0.352 348 M C -1.839 174.482 176.300 0.035 0.000 1.343 348 M CA -2.236 53.092 55.300 0.045 0.000 1.115 348 M CB 0.047 32.654 32.600 0.012 0.000 1.657 348 M HN -0.257 nan 8.290 nan 0.000 0.471 349 P HA -0.029 nan 4.420 nan 0.000 0.266 349 P C -0.293 177.017 177.300 0.018 0.000 1.193 349 P CA 0.177 63.300 63.100 0.039 0.000 0.770 349 P CB 0.527 32.250 31.700 0.038 0.000 0.836 350 S N 2.861 118.571 115.700 0.017 0.000 2.252 350 S HA 0.375 4.845 4.470 0.000 0.000 0.187 350 S C -2.481 172.118 174.600 -0.001 0.000 1.587 350 S CA -1.746 56.455 58.200 0.002 0.000 1.215 350 S CB -0.210 62.988 63.200 -0.003 0.000 1.085 350 S HN 0.200 nan 8.310 nan 0.000 0.466 351 P HA 0.594 nan 4.420 nan 0.000 0.272 351 P C 0.375 177.649 177.300 -0.043 0.000 1.230 351 P CA 0.273 63.357 63.100 -0.026 0.000 0.788 351 P CB 0.907 32.589 31.700 -0.030 0.000 0.949 352 G N -0.247 108.508 108.800 -0.074 0.000 2.368 352 G HA2 0.127 4.088 3.960 0.000 0.000 0.302 352 G HA3 0.127 4.088 3.960 0.000 0.000 0.302 352 G C -1.731 173.098 174.900 -0.118 0.000 1.329 352 G CA -0.849 44.205 45.100 -0.078 0.000 0.935 352 G HN 0.645 nan 8.290 nan 0.000 0.590 353 K N -0.014 120.331 120.400 -0.092 0.000 2.234 353 K HA 0.585 4.905 4.320 0.000 0.000 0.282 353 K C -0.124 176.441 176.600 -0.058 0.000 1.039 353 K CA -0.557 55.670 56.287 -0.101 0.000 0.928 353 K CB 1.298 33.760 32.500 -0.063 0.000 1.039 353 K HN 0.329 nan 8.250 nan 0.000 0.470 354 V N 6.527 126.402 119.914 -0.065 0.000 2.372 354 V HA 0.061 4.181 4.120 0.000 0.000 0.261 354 V C 0.787 176.913 176.094 0.053 0.000 1.055 354 V CA -0.111 62.191 62.300 0.003 0.000 0.930 354 V CB 0.814 32.635 31.823 -0.004 0.000 1.031 354 V HN 0.867 nan 8.190 nan 0.000 0.479 355 K N 2.438 122.887 120.400 0.083 0.000 2.103 355 K HA 0.017 4.338 4.320 0.000 0.000 0.204 355 K C 0.754 177.481 176.600 0.211 0.000 1.052 355 K CA 1.008 57.363 56.287 0.113 0.000 0.945 355 K CB 0.134 32.691 32.500 0.095 0.000 0.722 355 K HN 0.765 nan 8.250 nan 0.000 0.443 356 H N -1.241 117.893 119.070 0.106 0.000 3.042 356 H HA 0.193 4.749 4.556 0.001 0.000 0.345 356 H C -2.013 173.447 175.328 0.219 0.000 1.052 356 H CA -0.840 55.292 56.048 0.141 0.000 1.311 356 H CB 1.095 30.914 29.762 0.094 0.000 1.810 356 H HN -0.019 nan 8.280 nan 0.000 0.505 357 F N 5.725 125.637 119.950 -0.063 0.000 2.477 357 F HA 0.323 4.850 4.527 0.000 0.000 0.335 357 F C -1.442 174.246 175.800 -0.187 0.000 1.130 357 F CA -0.660 57.256 58.000 -0.141 0.000 0.948 357 F CB 1.050 40.040 39.000 -0.017 0.000 1.154 357 F HN 0.653 nan 8.300 nan 0.000 0.439 358 H N 4.599 123.128 119.070 -0.901 0.000 2.547 358 H HA 0.724 5.280 4.556 0.000 0.000 0.342 358 H C -1.147 173.664 175.328 -0.861 0.000 1.048 358 H CA -0.458 55.128 56.048 -0.770 0.000 1.204 358 H CB 1.670 31.167 29.762 -0.441 0.000 1.493 358 H HN 0.850 nan 8.280 nan 0.000 0.511 359 A N 5.992 128.131 122.820 -1.135 0.000 2.304 359 A HA 0.492 4.812 4.320 0.000 0.000 0.301 359 A C -2.402 174.968 177.584 -0.356 0.000 1.132 359 A CA -1.626 50.020 52.037 -0.651 0.000 0.819 359 A CB 0.155 18.881 19.000 -0.456 0.000 1.094 359 A HN 0.656 nan 8.150 nan 0.000 0.492 360 P HA 0.453 nan 4.420 nan 0.000 0.274 360 P C 0.172 177.440 177.300 -0.054 0.000 1.237 360 P CA 0.193 63.265 63.100 -0.047 0.000 0.793 360 P CB 1.374 33.067 31.700 -0.011 0.000 0.977 361 G N -1.349 107.441 108.800 -0.017 0.000 2.975 361 G HA2 0.705 4.665 3.960 0.000 0.000 0.291 361 G HA3 0.705 4.665 3.960 0.000 0.000 0.291 361 G C -0.370 174.535 174.900 0.009 0.000 1.334 361 G CA -0.384 44.709 45.100 -0.011 0.000 0.843 361 G HN 0.811 nan 8.290 nan 0.000 0.548 362 G N -0.556 108.251 108.800 0.012 0.000 2.660 362 G HA2 0.092 4.052 3.960 0.000 0.000 0.247 362 G HA3 0.092 4.052 3.960 0.000 0.000 0.247 362 G C -0.414 174.499 174.900 0.022 0.000 1.328 362 G CA 0.004 45.114 45.100 0.017 0.000 0.884 362 G HN 1.259 nan 8.290 nan 0.000 0.531 363 N N 1.294 120.007 118.700 0.022 0.000 2.475 363 N HA 0.516 5.256 4.740 0.000 0.000 0.267 363 N C 1.391 176.925 175.510 0.039 0.000 1.169 363 N CA 1.882 54.950 53.050 0.029 0.000 0.947 363 N CB 0.444 38.942 38.487 0.018 0.000 1.061 363 N HN 2.267 nan 8.380 nan 0.000 0.466 364 G N 1.752 110.592 108.800 0.067 0.000 2.143 364 G HA2 -0.202 3.758 3.960 0.000 0.000 0.248 364 G HA3 -0.202 3.758 3.960 0.000 0.000 0.248 364 G C -0.502 174.453 174.900 0.093 0.000 0.991 364 G CA 0.393 45.556 45.100 0.105 0.000 0.689 364 G HN 0.552 nan 8.290 nan 0.000 0.522 365 V N 0.796 120.746 119.914 0.061 0.000 2.378 365 V HA 0.685 4.805 4.120 0.000 0.000 0.288 365 V C 0.457 176.570 176.094 0.032 0.000 1.016 365 V CA -0.715 61.611 62.300 0.043 0.000 0.840 365 V CB 1.604 33.443 31.823 0.026 0.000 0.994 365 V HN 0.510 nan 8.190 nan 0.000 0.431 366 R N 3.672 124.189 120.500 0.028 0.000 2.637 366 R HA 0.846 5.186 4.340 0.000 0.000 0.291 366 R C -1.935 174.372 176.300 0.011 0.000 0.963 366 R CA -0.471 55.638 56.100 0.014 0.000 0.901 366 R CB 2.217 32.520 30.300 0.004 0.000 1.160 366 R HN 0.487 nan 8.270 nan 0.000 0.457 367 V N 3.555 123.479 119.914 0.016 0.000 2.482 367 V HA 0.261 4.381 4.120 0.000 0.000 0.295 367 V C -1.317 174.800 176.094 0.039 0.000 1.026 367 V CA -0.820 61.500 62.300 0.033 0.000 0.856 367 V CB 1.823 33.678 31.823 0.054 0.000 1.001 367 V HN 0.784 nan 8.190 nan 0.000 0.424 368 D N 3.057 123.476 120.400 0.033 0.000 2.473 368 D HA 0.628 5.269 4.640 0.000 0.000 0.226 368 D C -0.316 176.017 176.300 0.056 0.000 1.089 368 D CA 0.374 54.396 54.000 0.037 0.000 0.883 368 D CB 1.608 42.417 40.800 0.015 0.000 1.029 368 D HN 0.511 nan 8.370 nan 0.000 0.517 369 S N 0.984 116.719 115.700 0.058 0.000 2.537 369 S HA 0.196 4.666 4.470 0.000 0.000 0.270 369 S C -0.062 174.532 174.600 -0.011 0.000 1.142 369 S CA -0.760 57.448 58.200 0.012 0.000 0.870 369 S CB 0.718 63.890 63.200 -0.047 0.000 1.112 369 S HN 0.538 nan 8.310 nan 0.000 0.466 370 H N 3.731 122.714 119.070 -0.144 0.000 2.551 370 H HA 0.390 4.947 4.556 0.000 0.000 0.271 370 H C 0.310 175.450 175.328 -0.314 0.000 0.984 370 H CA -0.375 55.566 56.048 -0.178 0.000 1.164 370 H CB -0.426 29.229 29.762 -0.179 0.000 1.437 370 H HN 0.347 nan 8.280 nan 0.000 0.550 371 L N 2.158 122.901 121.223 -0.801 0.000 2.483 371 L HA 0.062 4.402 4.340 0.000 0.000 0.276 371 L C -0.251 176.254 176.870 -0.609 0.000 1.213 371 L CA 0.137 54.413 54.840 -0.940 0.000 0.843 371 L CB 0.161 41.352 42.059 -1.446 0.000 1.107 371 L HN 0.329 nan 8.230 nan 0.000 0.487 372 Y N -0.645 119.425 120.300 -0.385 0.000 2.656 372 Y HA 0.421 4.971 4.550 0.000 0.000 0.334 372 Y C -0.558 175.422 175.900 0.134 0.000 1.179 372 Y CA -1.391 56.699 58.100 -0.017 0.000 1.050 372 Y CB 0.771 39.242 38.460 0.017 0.000 1.308 372 Y HN 0.314 nan 8.280 nan 0.000 0.456 373 S N 1.171 117.108 115.700 0.395 0.000 2.498 373 S HA 0.419 4.889 4.470 0.000 0.000 0.281 373 S C 1.017 175.762 174.600 0.240 0.000 1.265 373 S CA 0.848 59.223 58.200 0.291 0.000 1.071 373 S CB 0.175 63.574 63.200 0.333 0.000 0.894 373 S HN 1.765 nan 8.310 nan 0.000 0.491 374 G N 2.229 111.090 108.800 0.102 0.000 2.195 374 G HA2 -0.262 3.698 3.960 0.000 0.000 0.224 374 G HA3 -0.262 3.698 3.960 0.000 0.000 0.224 374 G C -0.115 174.753 174.900 -0.053 0.000 0.990 374 G CA -0.166 44.979 45.100 0.074 0.000 0.639 374 G HN 0.714 nan 8.290 nan 0.000 0.514 375 Y N 2.664 122.673 120.300 -0.485 0.000 2.359 375 Y HA 0.599 5.149 4.550 0.000 0.000 0.330 375 Y C 0.313 176.047 175.900 -0.278 0.000 1.143 375 Y CA -0.153 57.570 58.100 -0.628 0.000 1.318 375 Y CB 1.134 38.904 38.460 -1.152 0.000 1.234 375 Y HN 0.092 nan 8.280 nan 0.000 0.522 376 S N 5.205 120.368 115.700 -0.895 0.000 2.429 376 S HA 0.394 4.864 4.470 0.000 0.000 0.302 376 S C -0.909 173.029 174.600 -1.103 0.000 1.115 376 S CA -0.830 56.938 58.200 -0.720 0.000 1.095 376 S CB 0.819 63.804 63.200 -0.358 0.000 0.987 376 S HN 0.529 nan 8.310 nan 0.000 0.474 377 V N 7.190 126.729 119.914 -0.625 0.000 2.470 377 V HA 0.215 4.335 4.120 0.000 0.000 0.276 377 V C -1.675 174.338 176.094 -0.136 0.000 1.040 377 V CA -1.387 60.750 62.300 -0.271 0.000 1.008 377 V CB 0.174 31.971 31.823 -0.043 0.000 0.990 377 V HN 0.658 nan 8.190 nan 0.000 0.477 378 P HA 0.293 nan 4.420 nan 0.000 0.276 378 P C -2.206 175.085 177.300 -0.015 0.000 1.244 378 P CA -1.854 61.245 63.100 -0.002 0.000 0.801 378 P CB 0.847 32.609 31.700 0.104 0.000 1.006 379 P HA -0.040 nan 4.420 nan 0.000 0.231 379 P C 0.883 178.097 177.300 -0.143 0.000 1.168 379 P CA 0.939 63.995 63.100 -0.073 0.000 0.779 379 P CB 0.093 31.754 31.700 -0.065 0.000 0.844 380 N N -0.839 117.662 118.700 -0.331 0.000 2.270 380 N HA -0.068 4.672 4.740 0.000 0.000 0.181 380 N C 0.704 175.881 175.510 -0.555 0.000 1.016 380 N CA 0.990 53.686 53.050 -0.590 0.000 0.870 380 N CB -0.145 37.711 38.487 -1.051 0.000 0.979 380 N HN 0.339 nan 8.380 nan 0.000 0.431 381 Y N 0.899 121.270 120.300 0.119 0.000 2.732 381 Y HA 0.164 4.714 4.550 0.000 0.000 0.327 381 Y C 0.889 176.845 175.900 0.095 0.000 1.162 381 Y CA -1.542 56.638 58.100 0.132 0.000 1.238 381 Y CB 0.148 38.716 38.460 0.180 0.000 1.443 381 Y HN -0.101 nan 8.280 nan 0.000 0.584 382 D N -0.418 120.140 120.400 0.264 0.000 2.372 382 D HA -0.054 4.586 4.640 0.000 0.000 0.243 382 D C 0.777 177.176 176.300 0.165 0.000 1.297 382 D CA 0.492 54.586 54.000 0.156 0.000 0.958 382 D CB 0.960 41.830 40.800 0.116 0.000 1.114 382 D HN 0.582 nan 8.370 nan 0.000 0.496 383 S N -0.935 114.843 115.700 0.129 0.000 2.535 383 S HA 0.026 4.496 4.470 0.000 0.000 0.214 383 S C 0.946 175.629 174.600 0.138 0.000 0.980 383 S CA -0.629 57.646 58.200 0.126 0.000 0.907 383 S CB -0.284 62.978 63.200 0.102 0.000 0.790 383 S HN 0.394 nan 8.310 nan 0.000 0.510 384 L N 3.615 124.929 121.223 0.151 0.000 2.500 384 L HA 0.254 4.594 4.340 0.000 0.000 0.272 384 L C 0.891 177.885 176.870 0.207 0.000 1.149 384 L CA 0.186 55.121 54.840 0.158 0.000 0.897 384 L CB 0.997 43.154 42.059 0.162 0.000 1.178 384 L HN 0.258 nan 8.230 nan 0.000 0.473 385 V N 1.975 121.970 119.914 0.135 0.000 3.612 385 V HA 0.743 4.863 4.120 0.000 0.000 0.268 385 V C 0.674 176.723 176.094 -0.075 0.000 1.365 385 V CA 0.504 62.821 62.300 0.029 0.000 1.044 385 V CB -0.204 31.584 31.823 -0.058 0.000 0.820 385 V HN 0.871 nan 8.190 nan 0.000 0.444 386 G N -0.050 108.764 108.800 0.025 0.000 2.547 386 G HA2 0.568 4.528 3.960 0.000 0.000 0.291 386 G HA3 0.568 4.528 3.960 0.000 0.000 0.291 386 G C -1.902 173.024 174.900 0.043 0.000 1.471 386 G CA -0.943 44.170 45.100 0.022 0.000 0.798 386 G HN 0.140 nan 8.290 nan 0.000 0.504 387 K N 0.482 120.902 120.400 0.034 0.000 2.463 387 K HA 0.578 4.898 4.320 0.000 0.000 0.255 387 K C -0.977 175.620 176.600 -0.005 0.000 0.942 387 K CA -0.773 55.515 56.287 0.002 0.000 0.814 387 K CB 2.987 35.480 32.500 -0.010 0.000 1.122 387 K HN 0.265 nan 8.250 nan 0.000 0.425 388 V N 4.972 124.867 119.914 -0.032 0.000 2.370 388 V HA 0.416 4.536 4.120 0.000 0.000 0.279 388 V C -0.268 175.806 176.094 -0.033 0.000 1.029 388 V CA -0.668 61.617 62.300 -0.026 0.000 0.870 388 V CB 0.804 32.604 31.823 -0.038 0.000 0.984 388 V HN 0.609 nan 8.190 nan 0.000 0.451 389 I N 4.599 125.162 120.570 -0.011 0.000 2.436 389 I HA 0.565 4.735 4.170 0.000 0.000 0.289 389 I C 0.231 176.370 176.117 0.036 0.000 1.010 389 I CA -0.115 61.185 61.300 0.000 0.000 1.098 389 I CB 2.430 40.418 38.000 -0.021 0.000 1.266 389 I HN 0.740 nan 8.210 nan 0.000 0.434 390 T N 2.169 116.763 114.554 0.067 0.000 2.908 390 T HA 0.622 4.972 4.350 0.000 0.000 0.290 390 T C -1.080 173.735 174.700 0.193 0.000 1.034 390 T CA -0.823 61.340 62.100 0.106 0.000 1.010 390 T CB 1.795 70.712 68.868 0.081 0.000 1.068 390 T HN 0.500 nan 8.240 nan 0.000 0.481 391 Y N 0.117 120.435 120.300 0.030 0.000 2.406 391 Y HA 0.618 5.168 4.550 0.000 0.000 0.340 391 Y C -0.213 175.711 175.900 0.040 0.000 0.975 391 Y CA -0.699 57.422 58.100 0.036 0.000 1.056 391 Y CB 1.723 40.196 38.460 0.021 0.000 1.210 391 Y HN 1.208 nan 8.280 nan 0.000 0.448 392 G N 1.420 110.030 108.800 -0.318 0.000 2.725 392 G HA2 0.485 4.445 3.960 0.000 0.000 0.288 392 G HA3 0.485 4.445 3.960 0.000 0.000 0.288 392 G C -0.152 174.490 174.900 -0.430 0.000 1.399 392 G CA -0.424 44.467 45.100 -0.348 0.000 0.859 392 G HN 0.882 nan 8.290 nan 0.000 0.479 393 A N -0.700 121.954 122.820 -0.277 0.000 2.019 393 A HA 0.262 4.582 4.320 0.000 0.000 0.219 393 A C 0.984 178.512 177.584 -0.093 0.000 1.164 393 A CA 2.404 54.331 52.037 -0.183 0.000 0.644 393 A CB -0.572 18.358 19.000 -0.116 0.000 0.805 393 A HN 0.939 nan 8.150 nan 0.000 0.449 394 D N -4.519 115.834 120.400 -0.079 0.000 2.677 394 D HA 0.272 4.912 4.640 0.000 0.000 0.298 394 D C 0.472 176.708 176.300 -0.108 0.000 1.250 394 D CA -0.630 53.338 54.000 -0.053 0.000 0.888 394 D CB 0.333 41.092 40.800 -0.068 0.000 1.397 394 D HN -0.091 nan 8.370 nan 0.000 0.461 395 R N -0.483 119.847 120.500 -0.283 0.000 2.091 395 R HA -0.145 4.195 4.340 0.000 0.000 0.238 395 R C 0.627 176.770 176.300 -0.263 0.000 1.136 395 R CA 1.828 57.597 56.100 -0.552 0.000 0.959 395 R CB -0.279 29.531 30.300 -0.817 0.000 0.856 395 R HN 0.433 nan 8.270 nan 0.000 0.437 396 D N -0.016 120.271 120.400 -0.188 0.000 2.144 396 D HA -0.186 4.454 4.640 0.000 0.000 0.199 396 D C 1.638 177.891 176.300 -0.078 0.000 0.984 396 D CA 1.246 55.174 54.000 -0.120 0.000 0.834 396 D CB -0.093 40.650 40.800 -0.096 0.000 0.955 396 D HN 0.449 nan 8.370 nan 0.000 0.465 397 E N 0.208 120.363 120.200 -0.076 0.000 2.072 397 E HA -0.082 4.269 4.350 0.000 0.000 0.190 397 E C 2.004 178.585 176.600 -0.032 0.000 0.982 397 E CA 0.794 57.161 56.400 -0.055 0.000 0.803 397 E CB 0.041 29.697 29.700 -0.072 0.000 0.755 397 E HN 0.150 nan 8.360 nan 0.000 0.453 398 A N 1.122 123.930 122.820 -0.020 0.000 1.908 398 A HA -0.193 4.127 4.320 0.000 0.000 0.218 398 A C 2.180 179.789 177.584 0.042 0.000 1.181 398 A CA 1.286 53.349 52.037 0.043 0.000 0.627 398 A CB -0.746 18.333 19.000 0.132 0.000 0.818 398 A HN 0.325 nan 8.150 nan 0.000 0.445 399 L N -0.961 120.269 121.223 0.011 0.000 2.046 399 L HA -0.199 4.141 4.340 0.000 0.000 0.208 399 L C 3.121 180.010 176.870 0.032 0.000 1.077 399 L CA 1.108 55.967 54.840 0.030 0.000 0.747 399 L CB -0.490 41.564 42.059 -0.008 0.000 0.896 399 L HN 0.450 nan 8.230 nan 0.000 0.432 400 A N -0.031 122.794 122.820 0.009 0.000 1.902 400 A HA -0.203 4.117 4.320 0.000 0.000 0.217 400 A C 2.359 179.954 177.584 0.018 0.000 1.181 400 A CA 1.472 53.515 52.037 0.010 0.000 0.623 400 A CB -0.459 18.538 19.000 -0.005 0.000 0.818 400 A HN 0.320 nan 8.150 nan 0.000 0.443 401 R N -1.848 118.662 120.500 0.017 0.000 2.115 401 R HA -0.084 4.256 4.340 0.000 0.000 0.230 401 R C 2.123 178.443 176.300 0.033 0.000 1.111 401 R CA 1.577 57.691 56.100 0.023 0.000 0.976 401 R CB -0.327 29.988 30.300 0.024 0.000 0.870 401 R HN 0.545 nan 8.270 nan 0.000 0.445 402 M N 0.713 120.338 119.600 0.043 0.000 2.229 402 M HA -0.090 4.390 4.480 0.000 0.000 0.264 402 M C 1.836 178.163 176.300 0.044 0.000 1.063 402 M CA 1.608 56.935 55.300 0.045 0.000 1.114 402 M CB 0.018 32.656 32.600 0.063 0.000 1.387 402 M HN -0.085 nan 8.290 nan 0.000 0.420 403 R N -0.311 120.217 120.500 0.048 0.000 2.083 403 R HA -0.141 4.199 4.340 0.000 0.000 0.237 403 R C 1.911 178.232 176.300 0.035 0.000 1.137 403 R CA 1.742 57.869 56.100 0.046 0.000 0.951 403 R CB -0.703 29.622 30.300 0.042 0.000 0.851 403 R HN 0.420 nan 8.270 nan 0.000 0.434 404 N N 0.642 119.359 118.700 0.028 0.000 2.069 404 N HA -0.155 4.585 4.740 0.000 0.000 0.191 404 N C 1.638 177.163 175.510 0.024 0.000 1.031 404 N CA 1.663 54.727 53.050 0.023 0.000 0.852 404 N CB -0.469 38.030 38.487 0.020 0.000 1.018 404 N HN 0.238 nan 8.380 nan 0.000 0.423 405 A N 0.979 123.814 122.820 0.024 0.000 1.877 405 A HA -0.062 4.258 4.320 0.000 0.000 0.216 405 A C 2.329 179.926 177.584 0.022 0.000 1.186 405 A CA 1.040 53.090 52.037 0.020 0.000 0.620 405 A CB -0.852 18.158 19.000 0.016 0.000 0.822 405 A HN 0.240 nan 8.150 nan 0.000 0.443 406 L N -0.434 120.805 121.223 0.027 0.000 2.083 406 L HA -0.195 4.146 4.340 0.000 0.000 0.209 406 L C 1.868 178.759 176.870 0.036 0.000 1.083 406 L CA 1.310 56.172 54.840 0.036 0.000 0.752 406 L CB -0.677 41.414 42.059 0.053 0.000 0.899 406 L HN 0.299 nan 8.230 nan 0.000 0.433 407 D N 0.065 120.483 120.400 0.031 0.000 2.263 407 D HA -0.167 4.473 4.640 0.000 0.000 0.208 407 D C 1.901 178.212 176.300 0.018 0.000 0.971 407 D CA 1.102 55.116 54.000 0.024 0.000 0.867 407 D CB 0.060 40.872 40.800 0.020 0.000 0.929 407 D HN 0.465 nan 8.370 nan 0.000 0.492 408 E N -0.489 119.725 120.200 0.024 0.000 2.415 408 E HA 0.033 4.383 4.350 0.000 0.000 0.197 408 E C 0.359 176.985 176.600 0.043 0.000 1.007 408 E CA -0.387 56.034 56.400 0.035 0.000 0.890 408 E CB 0.466 30.203 29.700 0.062 0.000 0.891 408 E HN 0.046 nan 8.360 nan 0.000 0.496 409 L N 2.161 123.396 121.223 0.021 0.000 2.418 409 L HA 0.171 4.512 4.340 0.000 0.000 0.274 409 L C -0.696 176.174 176.870 -0.001 0.000 1.135 409 L CA 0.569 55.411 54.840 0.004 0.000 0.870 409 L CB 0.190 42.270 42.059 0.035 0.000 1.154 409 L HN -0.058 nan 8.230 nan 0.000 0.462 410 I N 5.985 126.525 120.570 -0.050 0.000 2.389 410 I HA 0.321 4.491 4.170 0.000 0.000 0.288 410 I C -0.794 175.328 176.117 0.008 0.000 0.999 410 I CA -0.690 60.575 61.300 -0.059 0.000 1.129 410 I CB 1.753 39.648 38.000 -0.175 0.000 1.288 410 I HN 0.219 nan 8.210 nan 0.000 0.444 411 V N 4.345 124.305 119.914 0.077 0.000 2.315 411 V HA 0.211 4.331 4.120 0.000 0.000 0.265 411 V C -0.552 175.589 176.094 0.079 0.000 1.019 411 V CA -0.513 61.866 62.300 0.132 0.000 0.824 411 V CB 1.070 32.975 31.823 0.137 0.000 1.072 411 V HN 0.639 nan 8.190 nan 0.000 0.448 412 D N 2.511 122.959 120.400 0.081 0.000 2.264 412 D HA 0.588 5.228 4.640 0.000 0.000 0.250 412 D C 1.089 177.431 176.300 0.071 0.000 1.113 412 D CA 1.560 55.609 54.000 0.081 0.000 0.871 412 D CB 1.671 42.547 40.800 0.127 0.000 1.167 412 D HN 0.627 nan 8.370 nan 0.000 0.447 413 G N 2.697 111.525 108.800 0.045 0.000 2.307 413 G HA2 -0.162 3.798 3.960 0.000 0.000 0.210 413 G HA3 -0.162 3.798 3.960 0.000 0.000 0.210 413 G C 0.365 175.270 174.900 0.009 0.000 1.005 413 G CA 0.167 45.283 45.100 0.026 0.000 0.634 413 G HN 0.750 nan 8.290 nan 0.000 0.496 414 I N -1.918 118.659 120.570 0.011 0.000 3.002 414 I HA 0.808 4.978 4.170 0.000 0.000 0.310 414 I C -0.256 175.865 176.117 0.007 0.000 1.087 414 I CA -1.561 59.740 61.300 0.002 0.000 1.017 414 I CB 1.706 39.704 38.000 -0.004 0.000 1.226 414 I HN -0.103 nan 8.210 nan 0.000 0.443 415 K N 2.045 122.445 120.400 -0.001 0.000 2.218 415 K HA 0.508 4.829 4.320 0.000 0.000 0.276 415 K C -0.221 176.381 176.600 0.003 0.000 1.022 415 K CA -0.355 55.928 56.287 -0.007 0.000 0.946 415 K CB 1.422 33.906 32.500 -0.026 0.000 1.000 415 K HN 0.885 nan 8.250 nan 0.000 0.468 416 T N -1.760 112.799 114.554 0.007 0.000 2.838 416 T HA 0.193 4.543 4.350 0.000 0.000 0.292 416 T C 0.315 175.021 174.700 0.010 0.000 1.113 416 T CA -1.029 61.087 62.100 0.027 0.000 1.008 416 T CB 0.954 69.857 68.868 0.058 0.000 1.259 416 T HN 0.577 nan 8.240 nan 0.000 0.520 417 N N -0.438 118.285 118.700 0.037 0.000 2.313 417 N HA 0.090 4.830 4.740 0.000 0.000 0.207 417 N C 1.040 176.567 175.510 0.028 0.000 1.141 417 N CA -0.080 52.967 53.050 -0.005 0.000 0.830 417 N CB -0.608 37.877 38.487 -0.003 0.000 1.008 417 N HN 0.614 nan 8.380 nan 0.000 0.481 418 T N 0.837 115.452 114.554 0.101 0.000 2.684 418 T HA -0.130 4.221 4.350 0.000 0.000 0.267 418 T C 1.380 176.138 174.700 0.097 0.000 1.036 418 T CA 1.368 63.559 62.100 0.152 0.000 1.148 418 T CB -0.013 68.918 68.868 0.105 0.000 0.863 418 T HN 0.253 nan 8.240 nan 0.000 0.436 419 E N 0.821 121.040 120.200 0.032 0.000 2.077 419 E HA -0.082 4.268 4.350 0.000 0.000 0.193 419 E C 2.228 178.828 176.600 -0.001 0.000 0.989 419 E CA 0.652 57.060 56.400 0.014 0.000 0.800 419 E CB -0.593 29.100 29.700 -0.012 0.000 0.746 419 E HN 0.338 nan 8.360 nan 0.000 0.452 420 L N 1.296 122.487 121.223 -0.053 0.000 2.012 420 L HA -0.198 4.142 4.340 0.000 0.000 0.210 420 L C 2.254 179.074 176.870 -0.084 0.000 1.073 420 L CA 1.885 56.672 54.840 -0.088 0.000 0.748 420 L CB -0.627 41.351 42.059 -0.135 0.000 0.891 420 L HN 0.145 nan 8.230 nan 0.000 0.431 421 H N 0.333 119.416 119.070 0.021 0.000 2.353 421 H HA -0.129 4.427 4.556 0.000 0.000 0.300 421 H C 2.223 177.566 175.328 0.026 0.000 1.090 421 H CA 1.736 57.792 56.048 0.013 0.000 1.327 421 H CB -0.129 29.646 29.762 0.022 0.000 1.383 421 H HN 0.436 nan 8.280 nan 0.000 0.508 422 K N 0.326 120.818 120.400 0.152 0.000 2.103 422 K HA -0.141 4.180 4.320 0.000 0.000 0.207 422 K C 1.679 178.329 176.600 0.083 0.000 1.048 422 K CA 1.481 57.828 56.287 0.101 0.000 0.930 422 K CB 0.063 32.607 32.500 0.072 0.000 0.716 422 K HN 0.265 nan 8.250 nan 0.000 0.444 423 D N 0.936 121.375 120.400 0.065 0.000 2.123 423 D HA -0.090 4.550 4.640 0.000 0.000 0.200 423 D C 1.978 178.328 176.300 0.083 0.000 0.976 423 D CA 0.847 54.883 54.000 0.061 0.000 0.831 423 D CB -0.183 40.640 40.800 0.038 0.000 0.974 423 D HN 0.099 nan 8.370 nan 0.000 0.469 424 L N 0.728 121.992 121.223 0.067 0.000 2.083 424 L HA -0.114 4.226 4.340 0.000 0.000 0.209 424 L C 2.304 179.276 176.870 0.170 0.000 1.083 424 L CA 0.778 55.647 54.840 0.048 0.000 0.752 424 L CB -0.331 41.669 42.059 -0.098 0.000 0.899 424 L HN 0.034 nan 8.230 nan 0.000 0.433 425 V N -3.547 116.478 119.914 0.185 0.000 3.510 425 V HA -0.029 4.091 4.120 0.000 0.000 0.270 425 V C 1.729 177.926 176.094 0.173 0.000 1.201 425 V CA 0.808 63.253 62.300 0.241 0.000 1.166 425 V CB -0.655 31.279 31.823 0.185 0.000 0.825 425 V HN 0.365 nan 8.190 nan 0.000 0.484 426 R N 0.344 120.930 120.500 0.143 0.000 2.472 426 R HA 0.278 4.618 4.340 0.000 0.000 0.279 426 R C 0.094 176.464 176.300 0.116 0.000 0.953 426 R CA -0.024 56.140 56.100 0.106 0.000 1.088 426 R CB 0.285 30.632 30.300 0.078 0.000 1.197 426 R HN 0.601 nan 8.270 nan 0.000 0.536 427 D N -0.029 120.469 120.400 0.164 0.000 2.308 427 D HA 0.163 4.804 4.640 0.000 0.000 0.251 427 D C 1.078 177.472 176.300 0.158 0.000 1.127 427 D CA -0.041 54.066 54.000 0.178 0.000 0.876 427 D CB 1.412 42.357 40.800 0.242 0.000 1.176 427 D HN 0.105 nan 8.370 nan 0.000 0.446 428 A N 3.982 126.875 122.820 0.122 0.000 1.877 428 A HA -0.055 4.265 4.320 0.000 0.000 0.216 428 A C 2.135 179.750 177.584 0.052 0.000 1.186 428 A CA 1.817 53.900 52.037 0.075 0.000 0.620 428 A CB -1.059 17.982 19.000 0.068 0.000 0.822 428 A HN 0.703 nan 8.150 nan 0.000 0.443 429 A N -1.502 121.364 122.820 0.078 0.000 1.898 429 A HA -0.039 4.281 4.320 0.000 0.000 0.216 429 A C 2.116 179.642 177.584 -0.098 0.000 1.181 429 A CA 1.509 53.536 52.037 -0.017 0.000 0.620 429 A CB -0.686 18.305 19.000 -0.014 0.000 0.819 429 A HN 0.668 nan 8.150 nan 0.000 0.442 430 F N -0.014 119.817 119.950 -0.198 0.000 2.186 430 F HA -0.196 4.331 4.527 0.000 0.000 0.299 430 F C 2.372 178.117 175.800 -0.091 0.000 1.090 430 F CA 1.652 59.544 58.000 -0.181 0.000 1.307 430 F CB -0.174 38.769 39.000 -0.095 0.000 1.019 430 F HN 0.288 nan 8.300 nan 0.000 0.489 431 C N 0.763 119.993 119.300 -0.116 0.000 2.435 431 C HA -0.128 4.332 4.460 0.000 0.000 0.279 431 C C 2.575 177.440 174.990 -0.207 0.000 1.321 431 C CA 1.081 59.987 59.018 -0.187 0.000 1.752 431 C CB -1.068 26.644 27.740 -0.047 0.000 1.959 431 C HN 0.430 nan 8.230 nan 0.000 0.500 432 K N 0.137 120.449 120.400 -0.148 0.000 2.097 432 K HA 0.241 4.561 4.320 0.000 0.000 0.205 432 K C 1.078 177.575 176.600 -0.172 0.000 1.050 432 K CA 1.011 57.221 56.287 -0.128 0.000 0.938 432 K CB -0.240 32.215 32.500 -0.075 0.000 0.718 432 K HN 0.578 nan 8.250 nan 0.000 0.442 433 G N -1.466 107.196 108.800 -0.231 0.000 2.619 433 G HA2 0.177 4.137 3.960 0.000 0.000 0.686 433 G HA3 0.177 4.137 3.960 0.000 0.000 0.686 433 G C 0.323 175.138 174.900 -0.142 0.000 1.256 433 G CA -0.387 44.560 45.100 -0.255 0.000 0.826 433 G HN 0.534 nan 8.290 nan 0.000 0.619 434 G N -2.197 106.545 108.800 -0.098 0.000 2.143 434 G HA2 0.175 4.135 3.960 0.000 0.000 0.248 434 G HA3 0.175 4.135 3.960 0.000 0.000 0.248 434 G C 1.314 176.207 174.900 -0.011 0.000 0.991 434 G CA 1.375 46.458 45.100 -0.028 0.000 0.689 434 G HN 2.493 nan 8.290 nan 0.000 0.522 435 V N -0.800 119.089 119.914 -0.041 0.000 2.999 435 V HA 0.606 4.726 4.120 0.000 0.000 0.307 435 V C 0.558 176.683 176.094 0.051 0.000 1.084 435 V CA -0.055 62.210 62.300 -0.058 0.000 1.155 435 V CB 1.003 32.635 31.823 -0.319 0.000 0.975 435 V HN 0.957 nan 8.190 nan 0.000 0.490 436 N N 2.784 121.543 118.700 0.098 0.000 2.671 436 N HA 0.423 5.163 4.740 0.000 0.000 0.303 436 N C 0.728 176.271 175.510 0.055 0.000 1.277 436 N CA -0.360 52.734 53.050 0.074 0.000 0.933 436 N CB 0.691 39.212 38.487 0.056 0.000 1.190 436 N HN 0.813 nan 8.380 nan 0.000 0.600 437 I N -3.773 116.748 120.570 -0.081 0.000 2.916 437 I HA -0.016 4.154 4.170 0.000 0.000 0.267 437 I C 0.556 176.583 176.117 -0.149 0.000 1.263 437 I CA 0.981 62.209 61.300 -0.121 0.000 1.471 437 I CB -0.453 37.457 38.000 -0.149 0.000 1.089 437 I HN 0.386 nan 8.210 nan 0.000 0.468 438 H N -0.573 118.549 119.070 0.088 0.000 2.553 438 H HA 0.017 4.574 4.556 0.000 0.000 0.265 438 H C 1.617 176.986 175.328 0.069 0.000 0.964 438 H CA 0.655 56.739 56.048 0.059 0.000 1.156 438 H CB -0.256 29.545 29.762 0.065 0.000 1.411 438 H HN 0.473 nan 8.280 nan 0.000 0.558 439 Y N 1.537 121.895 120.300 0.097 0.000 2.089 439 Y HA -0.229 4.321 4.550 0.000 0.000 0.282 439 Y C 2.386 178.309 175.900 0.038 0.000 1.139 439 Y CA 1.204 59.350 58.100 0.077 0.000 1.123 439 Y CB -0.412 38.094 38.460 0.076 0.000 0.980 439 Y HN 0.089 nan 8.280 nan 0.000 0.493 440 L N 0.751 121.992 121.223 0.030 0.000 2.056 440 L HA -0.158 4.182 4.340 0.000 0.000 0.207 440 L C 2.139 178.926 176.870 -0.138 0.000 1.078 440 L CA 1.970 56.760 54.840 -0.083 0.000 0.749 440 L CB -0.851 41.195 42.059 -0.021 0.000 0.901 440 L HN 0.323 nan 8.230 nan 0.000 0.433 441 E N -0.805 119.337 120.200 -0.098 0.000 2.106 441 E HA -0.236 4.114 4.350 0.000 0.000 0.192 441 E C 2.170 178.718 176.600 -0.088 0.000 0.984 441 E CA 1.090 57.434 56.400 -0.094 0.000 0.806 441 E CB -0.011 29.644 29.700 -0.075 0.000 0.750 441 E HN 0.451 nan 8.360 nan 0.000 0.458 442 K N 0.656 120.999 120.400 -0.095 0.000 2.026 442 K HA -0.114 4.206 4.320 0.000 0.000 0.208 442 K C 2.148 178.659 176.600 -0.149 0.000 1.048 442 K CA 0.865 57.092 56.287 -0.100 0.000 0.929 442 K CB 0.136 32.590 32.500 -0.077 0.000 0.713 442 K HN -0.135 nan 8.250 nan 0.000 0.439 443 K N 0.891 121.128 120.400 -0.272 0.000 2.057 443 K HA -0.098 4.223 4.320 0.000 0.000 0.207 443 K C 2.062 178.583 176.600 -0.131 0.000 1.049 443 K CA 1.208 57.335 56.287 -0.267 0.000 0.931 443 K CB -0.246 31.969 32.500 -0.476 0.000 0.714 443 K HN 0.188 nan 8.250 nan 0.000 0.440 444 L N -0.482 120.681 121.223 -0.100 0.000 2.156 444 L HA -0.042 4.299 4.340 0.000 0.000 0.208 444 L C 1.207 178.069 176.870 -0.014 0.000 1.095 444 L CA 0.680 55.504 54.840 -0.026 0.000 0.770 444 L CB -0.435 41.631 42.059 0.012 0.000 0.914 444 L HN 0.351 nan 8.230 nan 0.000 0.439 445 G N 0.000 108.780 108.800 -0.034 0.000 5.446 445 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 445 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 445 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 445 G HN 0.000 nan 8.290 nan 0.000 0.925