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 1wle_1_A DATA FIRST_RESID 24 DATA SEQUENCE RNLLYEHARE GYSALPLLDM ESLCAYPEDA ARALDLRKGE LRSKDLPGII DATA SEQUENCE STWQELRQLR EQIRSLEEEK EAVTEAVRAL VVNQDNSQVQ QDPQYQSLRA DATA SEQUENCE RGREIRKQLT LLYPKEAQLE EQFYLRALRL PNQTHPDVPV GDESQARVLH DATA SEQUENCE VVGDKPAFSF QPRGHLEIAE KLDIIRQKRL SHVSGHRSYY LRGAGALLQH DATA SEQUENCE GLVNFTLNKL IHRGFTPMTV PDLLRGVVFE GCGMTPNAKP SQIYNIDPSR DATA SEQUENCE FEDLNLAGTA EVGLAGYFMD HSVAFRDLPI RMVCSSTCYR AETDTGXXPW DATA SEQUENCE GLYRVHHFTK VEMFGVTGPG LEQSSELLEE FLSLQMEILT ELGLHFRVLD DATA SEQUENCE MPTQELGLPA YRKFDIEAWM PGRGRFGEVT SASNCTDFQS RRLHIMFQTE DATA SEQUENCE AGELQFAHTV NATGCAVPRL LIALLESYQQ KDGSVLVPPA LQPYLGTDRI DATA SEQUENCE TTPTHVPLQY IGPNQPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 R HA 0.000 nan 4.340 nan 0.000 0.208 24 R C 0.000 176.342 176.300 0.070 0.000 0.893 24 R CA 0.000 56.129 56.100 0.049 0.000 0.921 24 R CB 0.000 30.342 30.300 0.069 0.000 0.687 25 N N 2.864 121.616 118.700 0.087 0.000 2.430 25 N HA 0.122 4.862 4.740 -0.000 0.000 0.265 25 N C 0.876 176.479 175.510 0.154 0.000 1.100 25 N CA 0.009 53.128 53.050 0.114 0.000 0.961 25 N CB 1.044 39.605 38.487 0.123 0.000 1.075 25 N HN 0.579 nan 8.380 nan 0.000 0.478 26 L N 3.545 124.848 121.223 0.133 0.000 2.127 26 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 26 L C 2.098 179.067 176.870 0.165 0.000 1.089 26 L CA 0.961 55.889 54.840 0.147 0.000 0.757 26 L CB -0.127 42.009 42.059 0.128 0.000 0.899 26 L HN 0.585 nan 8.230 nan 0.000 0.434 27 L N -1.877 119.432 121.223 0.142 0.000 2.072 27 L HA -0.230 4.110 4.340 -0.000 0.000 0.205 27 L C 2.548 179.495 176.870 0.129 0.000 1.079 27 L CA 1.176 56.090 54.840 0.122 0.000 0.752 27 L CB -0.484 41.623 42.059 0.079 0.000 0.906 27 L HN 0.168 nan 8.230 nan 0.000 0.436 28 Y N 0.769 121.083 120.300 0.023 0.000 2.200 28 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 28 Y C 2.645 178.551 175.900 0.010 0.000 1.137 28 Y CA 1.419 59.504 58.100 -0.025 0.000 1.163 28 Y CB 0.154 38.617 38.460 0.006 0.000 0.988 28 Y HN 0.102 nan 8.280 nan 0.000 0.518 29 E N -0.629 119.693 120.200 0.204 0.000 2.077 29 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 29 E C 2.036 178.648 176.600 0.020 0.000 0.989 29 E CA 1.722 58.192 56.400 0.116 0.000 0.800 29 E CB -0.757 29.036 29.700 0.155 0.000 0.746 29 E HN 0.653 nan 8.360 nan 0.000 0.452 30 H N 0.639 119.716 119.070 0.013 0.000 2.352 30 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 30 H C 1.827 177.087 175.328 -0.115 0.000 1.097 30 H CA 2.142 58.222 56.048 0.055 0.000 1.311 30 H CB 0.005 29.847 29.762 0.132 0.000 1.377 30 H HN 0.162 nan 8.280 nan 0.000 0.504 31 A N 0.529 123.275 122.820 -0.123 0.000 1.930 31 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 31 A C 2.395 179.752 177.584 -0.379 0.000 1.176 31 A CA 1.118 52.996 52.037 -0.266 0.000 0.632 31 A CB -0.560 18.259 19.000 -0.301 0.000 0.819 31 A HN 0.492 nan 8.150 nan 0.000 0.445 32 R N -0.016 120.238 120.500 -0.410 0.000 2.127 32 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 32 R C 1.079 177.179 176.300 -0.333 0.000 1.134 32 R CA 1.667 57.563 56.100 -0.339 0.000 0.975 32 R CB -0.141 30.035 30.300 -0.206 0.000 0.865 32 R HN 0.406 nan 8.270 nan 0.000 0.447 33 E N -0.717 119.191 120.200 -0.487 0.000 2.481 33 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 33 E C 1.074 177.206 176.600 -0.781 0.000 1.047 33 E CA 0.839 56.802 56.400 -0.728 0.000 0.867 33 E CB 0.405 29.347 29.700 -1.263 0.000 0.858 33 E HN 0.645 nan 8.360 nan 0.000 0.513 34 G N 1.093 109.550 108.800 -0.571 0.000 2.143 34 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.249 34 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.249 34 G C 0.605 175.343 174.900 -0.269 0.000 0.981 34 G CA 0.468 45.353 45.100 -0.358 0.000 0.665 34 G HN 0.234 nan 8.290 nan 0.000 0.528 35 Y N 1.016 121.109 120.300 -0.344 0.000 2.352 35 Y HA 0.359 4.909 4.550 -0.000 0.000 0.292 35 Y C 1.779 177.528 175.900 -0.251 0.000 1.136 35 Y CA 0.752 58.613 58.100 -0.398 0.000 1.227 35 Y CB -0.006 37.962 38.460 -0.819 0.000 0.991 35 Y HN 0.306 nan 8.280 nan 0.000 0.545 36 S N -2.099 113.548 115.700 -0.088 0.000 2.625 36 S HA 0.754 5.224 4.470 -0.000 0.000 0.271 36 S C -0.642 173.897 174.600 -0.101 0.000 1.161 36 S CA -0.778 57.421 58.200 -0.001 0.000 0.820 36 S CB 1.444 64.800 63.200 0.260 0.000 1.137 36 S HN 0.183 nan 8.310 nan 0.000 0.470 37 A N 0.756 123.431 122.820 -0.241 0.000 2.313 37 A HA 0.703 5.023 4.320 -0.000 0.000 0.261 37 A C -0.147 177.436 177.584 -0.001 0.000 1.090 37 A CA -0.384 51.544 52.037 -0.181 0.000 0.807 37 A CB -0.146 18.708 19.000 -0.244 0.000 1.055 37 A HN 0.725 nan 8.150 nan 0.000 0.492 38 L N 0.953 122.183 121.223 0.012 0.000 2.467 38 L HA 0.198 4.538 4.340 -0.000 0.000 0.270 38 L C -1.917 175.056 176.870 0.172 0.000 1.205 38 L CA -1.430 53.379 54.840 -0.052 0.000 0.828 38 L CB 0.298 42.220 42.059 -0.227 0.000 1.101 38 L HN 0.449 nan 8.230 nan 0.000 0.479 39 P HA -0.002 nan 4.420 nan 0.000 0.269 39 P C -0.860 176.522 177.300 0.137 0.000 1.209 39 P CA -0.245 62.865 63.100 0.016 0.000 0.776 39 P CB 0.519 32.209 31.700 -0.017 0.000 0.876 40 L N 4.734 125.947 121.223 -0.017 0.000 2.297 40 L HA 0.315 4.655 4.340 -0.000 0.000 0.277 40 L C -0.990 175.790 176.870 -0.149 0.000 1.040 40 L CA -0.124 54.748 54.840 0.054 0.000 0.867 40 L CB -0.611 41.577 42.059 0.215 0.000 1.244 40 L HN 0.205 nan 8.230 nan 0.000 0.433 41 L N 2.934 124.113 121.223 -0.073 0.000 2.395 41 L HA 0.306 4.646 4.340 -0.000 0.000 0.269 41 L C 0.238 176.996 176.870 -0.187 0.000 1.133 41 L CA -0.556 54.177 54.840 -0.178 0.000 0.812 41 L CB 0.734 42.694 42.059 -0.166 0.000 1.125 41 L HN 0.477 nan 8.230 nan 0.000 0.452 42 D N 2.547 122.842 120.400 -0.175 0.000 2.551 42 D HA 0.089 4.729 4.640 -0.000 0.000 0.223 42 D C 0.917 177.126 176.300 -0.152 0.000 1.144 42 D CA -0.115 53.814 54.000 -0.118 0.000 1.025 42 D CB 0.599 41.356 40.800 -0.072 0.000 1.085 42 D HN 0.340 nan 8.370 nan 0.000 0.506 43 M N 0.848 120.292 119.600 -0.260 0.000 2.254 43 M HA -0.050 4.430 4.480 -0.000 0.000 0.265 43 M C 1.585 177.792 176.300 -0.154 0.000 1.066 43 M CA 0.838 55.919 55.300 -0.366 0.000 1.123 43 M CB -0.342 31.661 32.600 -0.995 0.000 1.388 43 M HN 0.313 nan 8.290 nan 0.000 0.425 44 E N 0.124 120.293 120.200 -0.052 0.000 2.110 44 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 44 E C 2.164 178.738 176.600 -0.043 0.000 0.988 44 E CA 1.095 57.495 56.400 -0.001 0.000 0.804 44 E CB -0.225 29.494 29.700 0.032 0.000 0.745 44 E HN 0.391 nan 8.360 nan 0.000 0.458 45 S N 0.975 116.657 115.700 -0.030 0.000 2.371 45 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 45 S C 1.905 176.503 174.600 -0.003 0.000 1.029 45 S CA 0.535 58.735 58.200 -0.001 0.000 0.978 45 S CB -0.162 63.069 63.200 0.051 0.000 0.833 45 S HN 0.134 nan 8.310 nan 0.000 0.466 46 L N 1.645 122.855 121.223 -0.022 0.000 1.994 46 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 46 L C 2.200 179.059 176.870 -0.017 0.000 1.071 46 L CA 1.773 56.607 54.840 -0.010 0.000 0.745 46 L CB -1.062 40.968 42.059 -0.049 0.000 0.892 46 L HN 0.320 nan 8.230 nan 0.000 0.431 47 C N -0.235 119.043 119.300 -0.037 0.000 2.422 47 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 47 C C 2.978 177.916 174.990 -0.086 0.000 1.305 47 C CA 0.548 59.553 59.018 -0.021 0.000 1.757 47 C CB -1.775 25.981 27.740 0.027 0.000 1.962 47 C HN 0.717 nan 8.230 nan 0.000 0.499 48 A N -0.831 121.870 122.820 -0.197 0.000 1.897 48 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 48 A C 0.646 177.884 177.584 -0.577 0.000 1.181 48 A CA 1.235 52.993 52.037 -0.464 0.000 0.620 48 A CB -0.391 18.182 19.000 -0.711 0.000 0.821 48 A HN 0.646 nan 8.150 nan 0.000 0.443 49 Y N -0.681 119.629 120.300 0.017 0.000 2.562 49 Y HA 0.292 4.842 4.550 -0.000 0.000 0.363 49 Y C -1.881 174.027 175.900 0.013 0.000 0.991 49 Y CA -2.708 55.401 58.100 0.014 0.000 1.121 49 Y CB 0.553 39.021 38.460 0.013 0.000 1.159 49 Y HN 0.244 nan 8.280 nan 0.000 0.651 50 P HA -0.124 nan 4.420 nan 0.000 0.221 50 P C 0.643 177.987 177.300 0.073 0.000 1.150 50 P CA 1.417 64.560 63.100 0.072 0.000 0.800 50 P CB 0.674 32.402 31.700 0.047 0.000 0.787 51 E N 0.141 120.392 120.200 0.086 0.000 2.072 51 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 51 E C 1.701 178.334 176.600 0.055 0.000 0.982 51 E CA 0.989 57.427 56.400 0.063 0.000 0.803 51 E CB -0.350 29.388 29.700 0.063 0.000 0.755 51 E HN 0.227 nan 8.360 nan 0.000 0.453 52 D N 0.852 121.295 120.400 0.071 0.000 2.117 52 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 52 D C 1.891 178.216 176.300 0.041 0.000 0.987 52 D CA 1.348 55.372 54.000 0.040 0.000 0.829 52 D CB -0.303 40.511 40.800 0.023 0.000 0.961 52 D HN 0.155 nan 8.370 nan 0.000 0.460 53 A N 0.925 123.783 122.820 0.062 0.000 1.933 53 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 53 A C 2.291 179.894 177.584 0.032 0.000 1.175 53 A CA 2.051 54.117 52.037 0.048 0.000 0.628 53 A CB -0.667 18.365 19.000 0.053 0.000 0.814 53 A HN 0.229 nan 8.150 nan 0.000 0.444 54 A N -0.513 122.327 122.820 0.033 0.000 1.877 54 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 54 A C 2.288 179.882 177.584 0.016 0.000 1.186 54 A CA 1.759 53.810 52.037 0.024 0.000 0.620 54 A CB -0.490 18.525 19.000 0.026 0.000 0.822 54 A HN 0.346 nan 8.150 nan 0.000 0.443 55 R N -0.155 120.354 120.500 0.015 0.000 2.092 55 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 55 R C 2.333 178.635 176.300 0.003 0.000 1.119 55 R CA 1.571 57.675 56.100 0.007 0.000 0.970 55 R CB -1.087 29.216 30.300 0.005 0.000 0.864 55 R HN 0.463 nan 8.270 nan 0.000 0.440 56 A N 1.008 123.831 122.820 0.005 0.000 1.908 56 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 56 A C 2.161 179.745 177.584 -0.001 0.000 1.181 56 A CA 1.345 53.382 52.037 0.000 0.000 0.627 56 A CB -0.606 18.400 19.000 0.009 0.000 0.818 56 A HN 0.304 nan 8.150 nan 0.000 0.445 57 L N 0.066 121.292 121.223 0.006 0.000 2.017 57 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 57 L C 1.662 178.531 176.870 -0.001 0.000 1.073 57 L CA 2.537 57.379 54.840 0.004 0.000 0.745 57 L CB -0.696 41.368 42.059 0.008 0.000 0.894 57 L HN 0.324 nan 8.230 nan 0.000 0.432 58 D N -0.459 119.941 120.400 -0.000 0.000 2.117 58 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 58 D C 2.301 178.597 176.300 -0.006 0.000 0.987 58 D CA 1.446 55.445 54.000 -0.002 0.000 0.829 58 D CB -0.225 40.575 40.800 0.000 0.000 0.961 58 D HN 0.364 nan 8.370 nan 0.000 0.460 59 L N 0.149 121.367 121.223 -0.009 0.000 2.265 59 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 59 L C 2.326 179.185 176.870 -0.020 0.000 1.117 59 L CA 0.822 55.653 54.840 -0.015 0.000 0.782 59 L CB -0.151 41.897 42.059 -0.018 0.000 0.914 59 L HN -0.039 nan 8.230 nan 0.000 0.441 60 R N 0.193 120.681 120.500 -0.020 0.000 2.200 60 R HA 0.006 4.346 4.340 -0.000 0.000 0.208 60 R C 0.334 176.622 176.300 -0.019 0.000 1.033 60 R CA -0.005 56.080 56.100 -0.025 0.000 1.000 60 R CB 0.117 30.400 30.300 -0.027 0.000 0.906 60 R HN 0.140 nan 8.270 nan 0.000 0.462 61 K N 0.192 120.585 120.400 -0.013 0.000 3.156 61 K HA -0.191 4.129 4.320 -0.000 0.000 0.266 61 K C 0.305 176.901 176.600 -0.008 0.000 0.966 61 K CA 0.293 56.575 56.287 -0.009 0.000 0.719 61 K CB -1.465 31.030 32.500 -0.009 0.000 1.333 61 K HN 0.449 nan 8.250 nan 0.000 0.468 62 G N 0.421 109.216 108.800 -0.008 0.000 2.630 62 G HA2 0.094 4.054 3.960 -0.000 0.000 0.223 62 G HA3 0.094 4.054 3.960 -0.000 0.000 0.223 62 G C 0.644 175.543 174.900 -0.001 0.000 1.434 62 G CA 0.174 45.270 45.100 -0.006 0.000 1.057 62 G HN 0.326 nan 8.290 nan 0.000 0.570 63 E N -1.454 118.747 120.200 0.002 0.000 2.031 63 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 63 E C 0.498 177.099 176.600 0.002 0.000 0.994 63 E CA 0.505 56.907 56.400 0.003 0.000 0.800 63 E CB -0.069 29.635 29.700 0.007 0.000 0.752 63 E HN 0.048 nan 8.360 nan 0.000 0.447 64 L N 1.447 122.671 121.223 0.001 0.000 2.379 64 L HA 0.360 4.700 4.340 -0.000 0.000 0.269 64 L C 0.480 177.350 176.870 0.001 0.000 1.084 64 L CA -0.036 54.804 54.840 -0.001 0.000 0.802 64 L CB 1.075 43.131 42.059 -0.005 0.000 1.175 64 L HN 0.175 nan 8.230 nan 0.000 0.448 65 R N 0.602 121.103 120.500 0.002 0.000 2.922 65 R HA 0.404 4.744 4.340 -0.000 0.000 0.256 65 R C 1.068 177.371 176.300 0.006 0.000 1.138 65 R CA -0.796 55.306 56.100 0.003 0.000 0.995 65 R CB 0.590 30.892 30.300 0.003 0.000 1.226 65 R HN 0.480 nan 8.270 nan 0.000 0.481 66 S N 1.158 116.862 115.700 0.008 0.000 2.407 66 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 66 S C 1.328 175.936 174.600 0.013 0.000 1.036 66 S CA 2.091 60.298 58.200 0.012 0.000 1.013 66 S CB -0.202 63.005 63.200 0.012 0.000 0.820 66 S HN 0.514 nan 8.310 nan 0.000 0.476 67 K N 0.769 121.175 120.400 0.011 0.000 2.555 67 K HA 0.016 4.335 4.320 -0.000 0.000 0.193 67 K C -0.017 176.591 176.600 0.012 0.000 1.032 67 K CA 1.349 57.643 56.287 0.012 0.000 1.004 67 K CB -0.091 32.415 32.500 0.010 0.000 0.804 67 K HN 0.245 nan 8.250 nan 0.000 0.496 68 D N 0.451 120.858 120.400 0.011 0.000 2.454 68 D HA 0.101 4.741 4.640 -0.000 0.000 0.219 68 D C 1.533 177.841 176.300 0.014 0.000 1.081 68 D CA -0.102 53.904 54.000 0.010 0.000 0.867 68 D CB 0.221 41.022 40.800 0.001 0.000 1.054 68 D HN 0.020 nan 8.370 nan 0.000 0.500 69 L N 1.120 122.353 121.223 0.016 0.000 2.012 69 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 69 L C -0.507 176.386 176.870 0.038 0.000 1.073 69 L CA 1.543 56.397 54.840 0.023 0.000 0.748 69 L CB -1.339 40.734 42.059 0.023 0.000 0.891 69 L HN 0.036 nan 8.230 nan 0.000 0.431 70 P HA -0.184 nan 4.420 nan 0.000 0.216 70 P C 1.545 178.878 177.300 0.054 0.000 1.157 70 P CA 1.918 65.043 63.100 0.043 0.000 0.880 70 P CB -0.206 31.513 31.700 0.032 0.000 0.791 71 G N -0.620 108.209 108.800 0.048 0.000 2.418 71 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 71 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 71 G C 1.540 176.494 174.900 0.090 0.000 1.158 71 G CA 0.526 45.661 45.100 0.057 0.000 0.771 71 G HN 0.229 nan 8.290 nan 0.000 0.545 72 I N 0.555 121.176 120.570 0.085 0.000 2.226 72 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 72 I C 2.642 178.904 176.117 0.240 0.000 1.100 72 I CA 0.862 62.242 61.300 0.133 0.000 1.374 72 I CB -0.193 37.831 38.000 0.039 0.000 1.057 72 I HN 0.152 nan 8.210 nan 0.000 0.413 73 I N -0.006 120.664 120.570 0.168 0.000 2.315 73 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 73 I C 2.579 178.815 176.117 0.200 0.000 1.117 73 I CA 1.112 62.527 61.300 0.192 0.000 1.404 73 I CB -0.303 37.766 38.000 0.116 0.000 1.071 73 I HN 0.144 nan 8.210 nan 0.000 0.419 74 S N 0.183 115.966 115.700 0.137 0.000 2.368 74 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 74 S C 2.070 176.729 174.600 0.098 0.000 1.029 74 S CA 1.851 60.108 58.200 0.095 0.000 0.988 74 S CB -0.315 62.925 63.200 0.065 0.000 0.838 74 S HN 0.443 nan 8.310 nan 0.000 0.462 75 T N 1.442 116.086 114.554 0.150 0.000 2.746 75 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 75 T C 1.352 176.119 174.700 0.111 0.000 1.039 75 T CA 1.096 63.287 62.100 0.153 0.000 1.142 75 T CB -0.344 68.670 68.868 0.243 0.000 0.866 75 T HN 0.622 nan 8.240 nan 0.000 0.444 76 W N 1.845 123.103 121.300 -0.070 0.000 2.338 76 W HA -0.191 4.469 4.660 -0.000 0.000 0.304 76 W C 1.975 178.354 176.519 -0.234 0.000 1.212 76 W CA 1.243 58.360 57.345 -0.380 0.000 1.264 76 W CB -0.228 29.023 29.460 -0.347 0.000 1.142 76 W HN 0.377 nan 8.180 nan 0.000 0.512 77 Q N 0.252 119.979 119.800 -0.121 0.000 2.079 77 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 77 Q C 2.080 177.950 176.000 -0.216 0.000 0.974 77 Q CA 1.870 57.549 55.803 -0.206 0.000 0.840 77 Q CB -0.410 28.302 28.738 -0.042 0.000 0.898 77 Q HN 0.411 nan 8.270 nan 0.000 0.430 78 E N 0.432 120.554 120.200 -0.130 0.000 2.110 78 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 78 E C 1.898 178.403 176.600 -0.158 0.000 0.988 78 E CA 0.731 57.068 56.400 -0.106 0.000 0.804 78 E CB -0.038 29.635 29.700 -0.045 0.000 0.745 78 E HN 0.157 nan 8.360 nan 0.000 0.458 79 L N 1.213 122.297 121.223 -0.233 0.000 2.056 79 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 79 L C 2.058 178.712 176.870 -0.360 0.000 1.078 79 L CA 1.660 56.336 54.840 -0.275 0.000 0.749 79 L CB -0.113 41.734 42.059 -0.352 0.000 0.901 79 L HN -0.088 nan 8.230 nan 0.000 0.433 80 R N -1.008 119.173 120.500 -0.533 0.000 2.092 80 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 80 R C 2.221 178.361 176.300 -0.266 0.000 1.119 80 R CA 1.697 57.510 56.100 -0.478 0.000 0.970 80 R CB -0.352 29.600 30.300 -0.581 0.000 0.864 80 R HN 0.562 nan 8.270 nan 0.000 0.440 81 Q N 0.357 120.027 119.800 -0.216 0.000 2.079 81 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 81 Q C 2.126 178.061 176.000 -0.109 0.000 0.974 81 Q CA 0.980 56.701 55.803 -0.137 0.000 0.840 81 Q CB -0.163 28.509 28.738 -0.110 0.000 0.898 81 Q HN 0.154 nan 8.270 nan 0.000 0.430 82 L N 1.207 122.364 121.223 -0.109 0.000 2.042 82 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 82 L C 2.073 178.906 176.870 -0.062 0.000 1.076 82 L CA 1.784 56.580 54.840 -0.074 0.000 0.749 82 L CB -0.255 41.768 42.059 -0.060 0.000 0.893 82 L HN 0.022 nan 8.230 nan 0.000 0.432 83 R N -0.582 119.868 120.500 -0.084 0.000 2.092 83 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 83 R C 2.137 178.406 176.300 -0.052 0.000 1.119 83 R CA 1.553 57.618 56.100 -0.059 0.000 0.970 83 R CB -0.272 29.972 30.300 -0.093 0.000 0.864 83 R HN 0.534 nan 8.270 nan 0.000 0.440 84 E N 0.462 120.618 120.200 -0.075 0.000 2.072 84 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 84 E C 2.032 178.604 176.600 -0.048 0.000 0.985 84 E CA 0.900 57.264 56.400 -0.061 0.000 0.801 84 E CB 0.024 29.681 29.700 -0.072 0.000 0.750 84 E HN 0.327 nan 8.360 nan 0.000 0.452 85 Q N 0.767 120.535 119.800 -0.053 0.000 2.124 85 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 85 Q C 2.115 178.085 176.000 -0.048 0.000 0.977 85 Q CA 1.101 56.874 55.803 -0.051 0.000 0.850 85 Q CB 0.039 28.744 28.738 -0.056 0.000 0.901 85 Q HN 0.302 nan 8.270 nan 0.000 0.429 86 I N 0.128 120.676 120.570 -0.037 0.000 2.252 86 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 86 I C 2.702 178.820 176.117 0.002 0.000 1.102 86 I CA 1.101 62.388 61.300 -0.022 0.000 1.385 86 I CB -0.344 37.685 38.000 0.048 0.000 1.064 86 I HN 0.253 nan 8.210 nan 0.000 0.414 87 R N 0.901 121.401 120.500 0.001 0.000 2.073 87 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 87 R C 2.407 178.702 176.300 -0.009 0.000 1.134 87 R CA 2.045 58.146 56.100 0.002 0.000 0.952 87 R CB -0.164 30.130 30.300 -0.010 0.000 0.850 87 R HN 0.168 nan 8.270 nan 0.000 0.433 88 S N 0.980 116.667 115.700 -0.022 0.000 2.370 88 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 88 S C 1.887 176.471 174.600 -0.027 0.000 1.033 88 S CA 1.401 59.586 58.200 -0.025 0.000 1.011 88 S CB -0.217 62.964 63.200 -0.031 0.000 0.852 88 S HN 0.299 nan 8.310 nan 0.000 0.457 89 L N 1.113 122.314 121.223 -0.036 0.000 2.056 89 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 89 L C 2.521 179.373 176.870 -0.029 0.000 1.078 89 L CA 1.229 56.042 54.840 -0.045 0.000 0.749 89 L CB -0.523 41.491 42.059 -0.076 0.000 0.901 89 L HN 0.355 nan 8.230 nan 0.000 0.433 90 E N -0.151 120.044 120.200 -0.009 0.000 2.150 90 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 90 E C 2.013 178.616 176.600 0.004 0.000 0.985 90 E CA 1.028 57.437 56.400 0.016 0.000 0.814 90 E CB 0.014 29.744 29.700 0.050 0.000 0.752 90 E HN 0.524 nan 8.360 nan 0.000 0.466 91 E N 0.715 120.913 120.200 -0.004 0.000 2.107 91 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 91 E C 2.044 178.636 176.600 -0.013 0.000 0.982 91 E CA 0.694 57.090 56.400 -0.007 0.000 0.809 91 E CB 0.072 29.766 29.700 -0.010 0.000 0.756 91 E HN 0.230 nan 8.360 nan 0.000 0.459 92 E N 1.439 121.628 120.200 -0.018 0.000 2.150 92 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 92 E C 2.027 178.612 176.600 -0.025 0.000 0.985 92 E CA 0.910 57.296 56.400 -0.023 0.000 0.814 92 E CB 0.103 29.786 29.700 -0.028 0.000 0.752 92 E HN 0.010 nan 8.360 nan 0.000 0.466 93 K N 0.340 120.726 120.400 -0.022 0.000 2.026 93 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 93 K C 1.965 178.553 176.600 -0.019 0.000 1.048 93 K CA 1.573 57.847 56.287 -0.022 0.000 0.929 93 K CB 0.081 32.573 32.500 -0.013 0.000 0.713 93 K HN 0.053 nan 8.250 nan 0.000 0.439 94 E N 0.367 120.560 120.200 -0.013 0.000 2.077 94 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 94 E C 1.966 178.557 176.600 -0.016 0.000 0.989 94 E CA 1.192 57.586 56.400 -0.011 0.000 0.800 94 E CB -0.321 29.375 29.700 -0.007 0.000 0.746 94 E HN 0.442 nan 8.360 nan 0.000 0.452 95 A N 1.077 123.886 122.820 -0.017 0.000 1.902 95 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 95 A C 2.634 180.203 177.584 -0.025 0.000 1.181 95 A CA 1.543 53.569 52.037 -0.019 0.000 0.623 95 A CB -0.682 18.306 19.000 -0.019 0.000 0.818 95 A HN 0.139 nan 8.150 nan 0.000 0.443 96 V N -0.370 119.525 119.914 -0.032 0.000 2.295 96 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 96 V C 2.731 178.795 176.094 -0.051 0.000 1.049 96 V CA 2.471 64.744 62.300 -0.045 0.000 1.024 96 V CB -1.330 30.462 31.823 -0.053 0.000 0.648 96 V HN 0.596 nan 8.190 nan 0.000 0.447 97 T N -0.476 114.053 114.554 -0.042 0.000 2.759 97 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 97 T C 1.862 176.546 174.700 -0.027 0.000 1.042 97 T CA 1.446 63.523 62.100 -0.038 0.000 1.140 97 T CB -0.232 68.622 68.868 -0.024 0.000 0.864 97 T HN 0.466 nan 8.240 nan 0.000 0.455 98 E N 1.085 121.273 120.200 -0.020 0.000 2.107 98 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 98 E C 2.592 179.186 176.600 -0.011 0.000 0.982 98 E CA 0.979 57.372 56.400 -0.011 0.000 0.809 98 E CB -0.470 29.225 29.700 -0.009 0.000 0.756 98 E HN 0.514 nan 8.360 nan 0.000 0.459 99 A N 1.091 123.899 122.820 -0.019 0.000 1.972 99 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 99 A C 2.576 180.152 177.584 -0.014 0.000 1.169 99 A CA 1.256 53.283 52.037 -0.017 0.000 0.635 99 A CB -0.529 18.456 19.000 -0.026 0.000 0.810 99 A HN 0.122 nan 8.150 nan 0.000 0.446 100 V N 0.194 120.086 119.914 -0.036 0.000 2.307 100 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 100 V C 2.733 178.847 176.094 0.032 0.000 1.045 100 V CA 1.991 64.267 62.300 -0.040 0.000 1.024 100 V CB -0.785 30.965 31.823 -0.121 0.000 0.651 100 V HN 0.612 nan 8.190 nan 0.000 0.449 101 R N 0.894 121.406 120.500 0.021 0.000 2.091 101 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 101 R C 2.211 178.532 176.300 0.036 0.000 1.136 101 R CA 2.075 58.196 56.100 0.035 0.000 0.959 101 R CB -0.738 29.574 30.300 0.019 0.000 0.856 101 R HN 0.467 nan 8.270 nan 0.000 0.437 102 A N 1.086 123.921 122.820 0.024 0.000 1.933 102 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 102 A C 2.171 179.775 177.584 0.033 0.000 1.175 102 A CA 1.164 53.214 52.037 0.022 0.000 0.628 102 A CB -0.509 18.499 19.000 0.013 0.000 0.814 102 A HN 0.346 nan 8.150 nan 0.000 0.444 103 L N -0.104 121.147 121.223 0.047 0.000 2.027 103 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 103 L C 2.407 179.323 176.870 0.077 0.000 1.074 103 L CA 1.891 56.771 54.840 0.067 0.000 0.745 103 L CB -0.595 41.522 42.059 0.096 0.000 0.898 103 L HN 0.149 nan 8.230 nan 0.000 0.433 104 V N -1.005 118.970 119.914 0.101 0.000 2.287 104 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 104 V C 2.500 178.617 176.094 0.038 0.000 1.053 104 V CA 1.794 64.140 62.300 0.077 0.000 1.027 104 V CB -0.632 31.250 31.823 0.098 0.000 0.646 104 V HN 0.358 nan 8.190 nan 0.000 0.447 105 V N 0.269 120.204 119.914 0.035 0.000 2.427 105 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 105 V C 2.266 178.369 176.094 0.016 0.000 1.051 105 V CA 2.314 64.626 62.300 0.021 0.000 1.048 105 V CB -0.938 30.896 31.823 0.019 0.000 0.666 105 V HN 0.576 nan 8.190 nan 0.000 0.456 106 N N -0.274 118.438 118.700 0.020 0.000 2.188 106 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 106 N C 1.896 177.413 175.510 0.013 0.000 1.018 106 N CA 1.011 54.071 53.050 0.016 0.000 0.858 106 N CB -0.048 38.450 38.487 0.019 0.000 0.989 106 N HN 0.350 nan 8.380 nan 0.000 0.426 107 Q N 0.097 119.906 119.800 0.015 0.000 2.269 107 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 107 Q C -0.163 175.836 176.000 -0.002 0.000 0.946 107 Q CA 0.417 56.224 55.803 0.007 0.000 0.877 107 Q CB -0.293 28.450 28.738 0.008 0.000 0.963 107 Q HN 0.292 nan 8.270 nan 0.000 0.472 108 D N 1.402 121.800 120.400 -0.002 0.000 2.704 108 D HA -0.170 4.470 4.640 -0.000 0.000 0.232 108 D C -0.876 175.415 176.300 -0.015 0.000 1.183 108 D CA 0.404 54.399 54.000 -0.007 0.000 0.647 108 D CB -0.984 39.814 40.800 -0.004 0.000 1.013 108 D HN 0.172 nan 8.370 nan 0.000 0.415 109 N N -0.767 117.917 118.700 -0.026 0.000 2.225 109 N HA 0.240 4.979 4.740 -0.000 0.000 0.298 109 N C 0.915 176.394 175.510 -0.051 0.000 1.076 109 N CA 0.075 53.104 53.050 -0.035 0.000 0.792 109 N CB 1.735 40.199 38.487 -0.038 0.000 1.498 109 N HN -0.005 nan 8.380 nan 0.000 0.474 110 S N 1.600 117.272 115.700 -0.046 0.000 2.481 110 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 110 S C 0.533 175.089 174.600 -0.074 0.000 0.996 110 S CA 0.734 58.902 58.200 -0.053 0.000 0.942 110 S CB 0.049 63.226 63.200 -0.038 0.000 0.768 110 S HN 0.580 nan 8.310 nan 0.000 0.520 111 Q N 0.914 120.667 119.800 -0.078 0.000 2.241 111 Q HA 0.345 4.685 4.340 -0.000 0.000 0.296 111 Q C 1.229 177.148 176.000 -0.136 0.000 0.889 111 Q CA -0.080 55.667 55.803 -0.094 0.000 1.089 111 Q CB 0.557 29.257 28.738 -0.062 0.000 1.195 111 Q HN 0.434 nan 8.270 nan 0.000 0.451 112 V N 0.482 120.282 119.914 -0.190 0.000 2.490 112 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 112 V C 1.606 177.394 176.094 -0.510 0.000 1.061 112 V CA 1.846 63.983 62.300 -0.272 0.000 1.064 112 V CB 0.254 31.914 31.823 -0.270 0.000 0.670 112 V HN 0.328 nan 8.190 nan 0.000 0.461 113 Q N -0.130 119.333 119.800 -0.562 0.000 2.297 113 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 113 Q C 2.097 177.978 176.000 -0.199 0.000 0.981 113 Q CA 1.653 57.112 55.803 -0.574 0.000 0.876 113 Q CB -0.229 28.335 28.738 -0.290 0.000 0.921 113 Q HN 0.742 nan 8.270 nan 0.000 0.446 114 Q N -0.111 119.607 119.800 -0.137 0.000 2.403 114 Q HA 0.020 4.360 4.340 -0.000 0.000 0.203 114 Q C -0.349 175.645 176.000 -0.011 0.000 0.932 114 Q CA -0.048 55.727 55.803 -0.046 0.000 0.945 114 Q CB 0.284 28.996 28.738 -0.043 0.000 1.045 114 Q HN 0.278 nan 8.270 nan 0.000 0.511 115 D N 0.978 121.371 120.400 -0.012 0.000 2.383 115 D HA 0.018 4.658 4.640 -0.000 0.000 0.252 115 D C -1.783 174.572 176.300 0.092 0.000 1.166 115 D CA -1.802 52.222 54.000 0.041 0.000 0.879 115 D CB 1.298 42.132 40.800 0.057 0.000 1.164 115 D HN -0.186 nan 8.370 nan 0.000 0.462 116 P HA -0.184 nan 4.420 nan 0.000 0.215 116 P C 1.037 178.376 177.300 0.065 0.000 1.153 116 P CA 1.097 64.231 63.100 0.056 0.000 0.853 116 P CB 0.193 31.913 31.700 0.033 0.000 0.788 117 Q N -1.524 118.317 119.800 0.069 0.000 2.079 117 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 117 Q C 2.090 178.133 176.000 0.072 0.000 0.974 117 Q CA 1.495 57.331 55.803 0.056 0.000 0.840 117 Q CB -1.267 27.501 28.738 0.050 0.000 0.898 117 Q HN 0.224 nan 8.270 nan 0.000 0.430 118 Y N 0.652 120.950 120.300 -0.004 0.000 2.181 118 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 118 Y C 1.873 177.771 175.900 -0.004 0.000 1.146 118 Y CA 2.164 60.262 58.100 -0.003 0.000 1.164 118 Y CB -0.038 38.421 38.460 -0.003 0.000 0.982 118 Y HN 0.224 nan 8.280 nan 0.000 0.515 119 Q N -1.112 118.804 119.800 0.194 0.000 2.167 119 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 119 Q C 2.539 178.532 176.000 -0.011 0.000 0.970 119 Q CA 1.373 57.235 55.803 0.099 0.000 0.855 119 Q CB -0.259 28.553 28.738 0.123 0.000 0.911 119 Q HN 0.421 nan 8.270 nan 0.000 0.438 120 S N 0.667 116.362 115.700 -0.009 0.000 2.368 120 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 120 S C 1.889 176.451 174.600 -0.063 0.000 1.029 120 S CA 0.745 58.929 58.200 -0.026 0.000 0.988 120 S CB -0.078 63.115 63.200 -0.011 0.000 0.838 120 S HN 0.280 nan 8.310 nan 0.000 0.462 121 L N 0.848 122.010 121.223 -0.103 0.000 2.056 121 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 121 L C 3.011 179.782 176.870 -0.165 0.000 1.078 121 L CA 0.971 55.731 54.840 -0.133 0.000 0.749 121 L CB -0.484 41.477 42.059 -0.164 0.000 0.901 121 L HN 0.185 nan 8.230 nan 0.000 0.433 122 R N 0.240 120.593 120.500 -0.246 0.000 2.096 122 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 122 R C 2.269 178.504 176.300 -0.108 0.000 1.127 122 R CA 1.460 57.430 56.100 -0.216 0.000 0.968 122 R CB -0.751 29.389 30.300 -0.268 0.000 0.861 122 R HN 0.380 nan 8.270 nan 0.000 0.440 123 A N 1.020 123.792 122.820 -0.080 0.000 1.873 123 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 123 A C 2.240 179.795 177.584 -0.048 0.000 1.186 123 A CA 1.534 53.542 52.037 -0.047 0.000 0.616 123 A CB -0.366 18.615 19.000 -0.032 0.000 0.823 123 A HN 0.126 nan 8.150 nan 0.000 0.442 124 R N 0.255 120.722 120.500 -0.055 0.000 2.120 124 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 124 R C 2.067 178.336 176.300 -0.052 0.000 1.123 124 R CA 1.862 57.933 56.100 -0.050 0.000 0.975 124 R CB -1.348 28.922 30.300 -0.050 0.000 0.866 124 R HN 0.396 nan 8.270 nan 0.000 0.446 125 G N 0.061 108.823 108.800 -0.064 0.000 2.418 125 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 125 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 125 G C 1.428 176.300 174.900 -0.046 0.000 1.158 125 G CA 0.662 45.727 45.100 -0.058 0.000 0.771 125 G HN 0.335 nan 8.290 nan 0.000 0.545 126 R N -0.081 120.393 120.500 -0.043 0.000 2.115 126 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 126 R C 2.423 178.703 176.300 -0.033 0.000 1.111 126 R CA 1.185 57.266 56.100 -0.032 0.000 0.976 126 R CB -0.155 30.130 30.300 -0.026 0.000 0.870 126 R HN 0.344 nan 8.270 nan 0.000 0.445 127 E N 1.458 121.636 120.200 -0.037 0.000 2.072 127 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 127 E C 1.750 178.321 176.600 -0.048 0.000 0.985 127 E CA 1.227 57.604 56.400 -0.038 0.000 0.801 127 E CB -0.172 29.506 29.700 -0.037 0.000 0.750 127 E HN 0.245 nan 8.360 nan 0.000 0.452 128 I N 0.255 120.795 120.570 -0.050 0.000 2.163 128 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 128 I C 2.547 178.622 176.117 -0.070 0.000 1.085 128 I CA 1.446 62.711 61.300 -0.059 0.000 1.347 128 I CB -0.316 37.653 38.000 -0.051 0.000 1.044 128 I HN 0.080 nan 8.210 nan 0.000 0.408 129 R N 0.614 121.083 120.500 -0.052 0.000 2.120 129 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 129 R C 2.325 178.591 176.300 -0.057 0.000 1.123 129 R CA 1.265 57.338 56.100 -0.044 0.000 0.975 129 R CB -0.287 30.002 30.300 -0.018 0.000 0.866 129 R HN 0.362 nan 8.270 nan 0.000 0.446 130 K N 1.212 121.580 120.400 -0.052 0.000 2.025 130 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 130 K C 1.993 178.547 176.600 -0.077 0.000 1.049 130 K CA 1.406 57.663 56.287 -0.050 0.000 0.933 130 K CB 0.082 32.560 32.500 -0.037 0.000 0.714 130 K HN 0.165 nan 8.250 nan 0.000 0.438 131 Q N 0.505 120.252 119.800 -0.089 0.000 2.135 131 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 131 Q C 2.201 178.091 176.000 -0.183 0.000 0.981 131 Q CA 1.488 57.225 55.803 -0.110 0.000 0.856 131 Q CB -0.075 28.605 28.738 -0.098 0.000 0.902 131 Q HN 0.368 nan 8.270 nan 0.000 0.425 132 L N -0.401 120.672 121.223 -0.250 0.000 2.141 132 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 132 L C 2.517 179.076 176.870 -0.519 0.000 1.094 132 L CA 1.075 55.601 54.840 -0.523 0.000 0.763 132 L CB -0.403 41.326 42.059 -0.550 0.000 0.908 132 L HN 0.231 nan 8.230 nan 0.000 0.437 133 T N -0.383 114.046 114.554 -0.207 0.000 3.007 133 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 133 T C 1.723 176.396 174.700 -0.045 0.000 1.107 133 T CA 0.919 62.986 62.100 -0.055 0.000 1.118 133 T CB 0.021 68.885 68.868 -0.007 0.000 0.889 133 T HN 0.197 nan 8.240 nan 0.000 0.506 134 L N -0.408 120.758 121.223 -0.094 0.000 2.253 134 L HA 0.228 4.568 4.340 -0.000 0.000 0.205 134 L C 2.361 179.196 176.870 -0.059 0.000 1.078 134 L CA 0.543 55.349 54.840 -0.057 0.000 0.805 134 L CB -0.270 41.754 42.059 -0.058 0.000 0.963 134 L HN 0.233 nan 8.230 nan 0.000 0.459 135 L N -1.461 119.681 121.223 -0.135 0.000 2.156 135 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 135 L C 2.519 179.392 176.870 0.006 0.000 1.095 135 L CA 1.265 56.042 54.840 -0.106 0.000 0.770 135 L CB -0.571 41.379 42.059 -0.181 0.000 0.914 135 L HN 0.211 nan 8.230 nan 0.000 0.439 136 Y N 0.366 120.665 120.300 -0.001 0.000 2.128 136 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 136 Y C 0.086 175.994 175.900 0.015 0.000 1.154 136 Y CA 0.707 58.810 58.100 0.005 0.000 1.149 136 Y CB -1.459 37.002 38.460 0.002 0.000 0.976 136 Y HN 0.229 nan 8.280 nan 0.000 0.505 137 P HA -0.169 nan 4.420 nan 0.000 0.217 137 P C 1.248 178.601 177.300 0.088 0.000 1.150 137 P CA 1.573 64.739 63.100 0.110 0.000 0.832 137 P CB 0.032 31.779 31.700 0.079 0.000 0.787 138 K N 0.583 121.026 120.400 0.071 0.000 2.097 138 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 138 K C 2.093 178.732 176.600 0.066 0.000 1.049 138 K CA 1.436 57.754 56.287 0.052 0.000 0.933 138 K CB -0.920 31.595 32.500 0.025 0.000 0.717 138 K HN -0.079 nan 8.250 nan 0.000 0.442 139 E N 0.363 120.615 120.200 0.087 0.000 2.047 139 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 139 E C 1.755 178.426 176.600 0.119 0.000 0.987 139 E CA 1.393 57.849 56.400 0.093 0.000 0.799 139 E CB -0.260 29.512 29.700 0.121 0.000 0.752 139 E HN 0.325 nan 8.360 nan 0.000 0.449 140 A N 1.362 124.259 122.820 0.128 0.000 1.933 140 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 140 A C 2.242 179.919 177.584 0.155 0.000 1.175 140 A CA 1.891 54.020 52.037 0.154 0.000 0.628 140 A CB -0.655 18.420 19.000 0.125 0.000 0.814 140 A HN 0.441 nan 8.150 nan 0.000 0.444 141 Q N -0.401 119.463 119.800 0.107 0.000 2.020 141 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 141 Q C 2.072 178.120 176.000 0.079 0.000 0.982 141 Q CA 1.528 57.377 55.803 0.077 0.000 0.838 141 Q CB -0.248 28.524 28.738 0.056 0.000 0.899 141 Q HN 0.637 nan 8.270 nan 0.000 0.423 142 L N 0.704 121.979 121.223 0.088 0.000 2.012 142 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 142 L C 2.677 179.646 176.870 0.166 0.000 1.073 142 L CA 1.836 56.734 54.840 0.098 0.000 0.748 142 L CB -0.524 41.573 42.059 0.062 0.000 0.891 142 L HN 0.482 nan 8.230 nan 0.000 0.431 143 E N 0.198 120.525 120.200 0.211 0.000 2.070 143 E HA -0.325 4.025 4.350 -0.000 0.000 0.197 143 E C 2.041 178.896 176.600 0.425 0.000 1.004 143 E CA 1.839 58.469 56.400 0.383 0.000 0.805 143 E CB -0.023 29.937 29.700 0.434 0.000 0.744 143 E HN 0.477 nan 8.360 nan 0.000 0.451 144 E N 0.216 120.488 120.200 0.119 0.000 2.072 144 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 144 E C 2.240 178.738 176.600 -0.171 0.000 0.985 144 E CA 1.249 57.392 56.400 -0.430 0.000 0.801 144 E CB -0.095 29.326 29.700 -0.465 0.000 0.750 144 E HN 0.332 nan 8.360 nan 0.000 0.452 145 Q N -0.255 119.537 119.800 -0.013 0.000 2.096 145 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 145 Q C 2.022 178.054 176.000 0.053 0.000 0.982 145 Q CA 1.761 57.573 55.803 0.015 0.000 0.850 145 Q CB -0.285 28.483 28.738 0.050 0.000 0.901 145 Q HN 0.410 nan 8.270 nan 0.000 0.422 146 F N -0.080 119.869 119.950 -0.001 0.000 2.051 146 F HA -0.268 4.259 4.527 -0.000 0.000 0.296 146 F C 1.603 177.352 175.800 -0.085 0.000 1.122 146 F CA 1.651 59.631 58.000 -0.034 0.000 1.201 146 F CB -0.438 38.548 39.000 -0.025 0.000 0.978 146 F HN 0.095 nan 8.300 nan 0.000 0.472 147 Y N 0.214 120.448 120.300 -0.110 0.000 2.181 147 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 147 Y C 2.181 177.957 175.900 -0.208 0.000 1.146 147 Y CA 1.332 59.316 58.100 -0.194 0.000 1.164 147 Y CB -0.894 37.678 38.460 0.187 0.000 0.982 147 Y HN 0.078 nan 8.280 nan 0.000 0.515 148 L N -0.471 120.731 121.223 -0.035 0.000 2.187 148 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 148 L C 2.217 179.040 176.870 -0.077 0.000 1.100 148 L CA 1.662 56.471 54.840 -0.052 0.000 0.765 148 L CB -0.513 41.501 42.059 -0.076 0.000 0.904 148 L HN 0.125 nan 8.230 nan 0.000 0.437 149 R N -1.662 118.750 120.500 -0.147 0.000 2.123 149 R HA 0.264 4.604 4.340 -0.000 0.000 0.209 149 R C 2.151 178.317 176.300 -0.223 0.000 1.078 149 R CA 1.013 57.024 56.100 -0.147 0.000 1.028 149 R CB -0.872 29.356 30.300 -0.120 0.000 0.939 149 R HN 0.270 nan 8.270 nan 0.000 0.463 150 A N 1.451 123.998 122.820 -0.454 0.000 1.972 150 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 150 A C 2.140 179.549 177.584 -0.291 0.000 1.169 150 A CA 1.042 52.758 52.037 -0.536 0.000 0.635 150 A CB -0.571 17.676 19.000 -1.255 0.000 0.810 150 A HN 0.168 nan 8.150 nan 0.000 0.446 151 L N -1.153 119.955 121.223 -0.192 0.000 2.551 151 L HA -0.053 4.287 4.340 -0.000 0.000 0.228 151 L C 2.189 179.054 176.870 -0.008 0.000 1.153 151 L CA 0.537 55.335 54.840 -0.069 0.000 0.851 151 L CB -0.250 41.820 42.059 0.018 0.000 0.959 151 L HN 0.352 nan 8.230 nan 0.000 0.451 152 R N -0.613 119.873 120.500 -0.024 0.000 2.317 152 R HA 0.201 4.541 4.340 -0.000 0.000 0.208 152 R C 0.239 176.562 176.300 0.038 0.000 0.914 152 R CA -0.112 56.002 56.100 0.022 0.000 1.060 152 R CB 0.169 30.468 30.300 -0.002 0.000 1.015 152 R HN 0.234 nan 8.270 nan 0.000 0.498 153 L N 3.284 124.521 121.223 0.023 0.000 2.397 153 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 153 L C -1.763 175.198 176.870 0.150 0.000 1.148 153 L CA -1.947 52.919 54.840 0.042 0.000 0.825 153 L CB 0.542 42.596 42.059 -0.009 0.000 1.117 153 L HN -0.105 nan 8.230 nan 0.000 0.456 154 P HA 0.105 nan 4.420 nan 0.000 0.277 154 P C -0.853 176.539 177.300 0.154 0.000 1.271 154 P CA -0.600 62.556 63.100 0.093 0.000 0.795 154 P CB 0.783 32.481 31.700 -0.003 0.000 1.101 155 N N -0.034 118.700 118.700 0.056 0.000 2.317 155 N HA 0.032 4.772 4.740 -0.000 0.000 0.245 155 N C 0.089 175.663 175.510 0.108 0.000 1.294 155 N CA 0.075 53.215 53.050 0.150 0.000 0.924 155 N CB -0.125 38.368 38.487 0.010 0.000 1.186 155 N HN 0.245 nan 8.380 nan 0.000 0.495 156 Q N -0.616 119.278 119.800 0.156 0.000 2.471 156 Q HA 0.324 4.664 4.340 -0.000 0.000 0.223 156 Q C -0.518 175.629 176.000 0.245 0.000 1.045 156 Q CA 0.373 56.291 55.803 0.193 0.000 0.956 156 Q CB 0.373 29.242 28.738 0.217 0.000 1.249 156 Q HN 0.502 nan 8.270 nan 0.000 0.549 157 T N 0.617 115.234 114.554 0.105 0.000 2.807 157 T HA 0.166 4.516 4.350 -0.000 0.000 0.279 157 T C -0.745 173.725 174.700 -0.384 0.000 0.993 157 T CA -0.624 61.394 62.100 -0.137 0.000 0.970 157 T CB 0.697 69.509 68.868 -0.094 0.000 0.950 157 T HN 0.436 nan 8.240 nan 0.000 0.441 158 H N 4.212 122.666 119.070 -1.027 0.000 2.928 158 H HA 0.076 4.632 4.556 -0.000 0.000 0.338 158 H C -1.862 173.252 175.328 -0.357 0.000 1.047 158 H CA -1.437 54.034 56.048 -0.961 0.000 1.435 158 H CB 1.213 30.416 29.762 -0.932 0.000 1.428 158 H HN 0.293 nan 8.280 nan 0.000 0.590 159 P HA -0.151 nan 4.420 nan 0.000 0.216 159 P C 0.622 177.969 177.300 0.080 0.000 1.150 159 P CA 1.448 64.504 63.100 -0.073 0.000 0.843 159 P CB 0.344 31.957 31.700 -0.145 0.000 0.787 160 D N -1.432 119.159 120.400 0.318 0.000 2.349 160 D HA 0.011 4.651 4.640 -0.000 0.000 0.224 160 D C 0.290 176.607 176.300 0.027 0.000 1.029 160 D CA 0.227 54.316 54.000 0.149 0.000 0.879 160 D CB -0.191 40.699 40.800 0.150 0.000 0.906 160 D HN 0.027 nan 8.370 nan 0.000 0.528 161 V N 4.144 124.054 119.914 -0.007 0.000 2.599 161 V HA 0.023 4.143 4.120 -0.000 0.000 0.300 161 V C -1.705 174.360 176.094 -0.048 0.000 1.034 161 V CA -0.836 61.415 62.300 -0.082 0.000 1.115 161 V CB 0.417 32.165 31.823 -0.125 0.000 0.934 161 V HN 0.059 nan 8.190 nan 0.000 0.485 162 P HA 0.178 nan 4.420 nan 0.000 0.271 162 P C -0.609 176.671 177.300 -0.032 0.000 1.216 162 P CA -0.108 62.975 63.100 -0.028 0.000 0.776 162 P CB 0.992 32.680 31.700 -0.021 0.000 0.881 163 V N 2.488 122.387 119.914 -0.024 0.000 2.546 163 V HA 0.653 4.773 4.120 -0.000 0.000 0.284 163 V C 1.056 177.138 176.094 -0.020 0.000 1.050 163 V CA 1.093 63.379 62.300 -0.024 0.000 0.981 163 V CB 0.171 31.983 31.823 -0.019 0.000 0.990 163 V HN 1.161 nan 8.190 nan 0.000 0.474 164 G N 4.046 112.834 108.800 -0.021 0.000 2.331 164 G HA2 0.014 3.974 3.960 -0.000 0.000 0.479 164 G HA3 0.014 3.974 3.960 -0.000 0.000 0.479 164 G C -0.925 173.965 174.900 -0.017 0.000 1.262 164 G CA -0.166 44.925 45.100 -0.016 0.000 1.029 164 G HN 0.864 nan 8.290 nan 0.000 0.487 165 D N -0.437 119.956 120.400 -0.012 0.000 2.478 165 D HA 0.279 4.919 4.640 -0.000 0.000 0.274 165 D C 1.145 177.440 176.300 -0.009 0.000 1.234 165 D CA 0.089 54.083 54.000 -0.010 0.000 1.069 165 D CB 0.523 41.320 40.800 -0.006 0.000 1.113 165 D HN 0.542 nan 8.370 nan 0.000 0.571 166 E N -0.795 119.402 120.200 -0.005 0.000 2.171 166 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 166 E C 1.941 178.541 176.600 -0.000 0.000 0.997 166 E CA 1.716 58.115 56.400 -0.000 0.000 0.810 166 E CB -0.079 29.626 29.700 0.008 0.000 0.738 166 E HN 0.567 nan 8.360 nan 0.000 0.467 167 S N 0.282 115.982 115.700 -0.000 0.000 2.507 167 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 167 S C 1.556 176.153 174.600 -0.006 0.000 0.988 167 S CA 0.626 58.825 58.200 -0.001 0.000 0.944 167 S CB 0.120 63.320 63.200 -0.000 0.000 0.762 167 S HN 0.133 nan 8.310 nan 0.000 0.526 168 Q N 1.012 120.807 119.800 -0.008 0.000 2.280 168 Q HA 0.469 4.809 4.340 -0.000 0.000 0.201 168 Q C 0.570 176.563 176.000 -0.012 0.000 0.890 168 Q CA 0.297 56.093 55.803 -0.011 0.000 0.947 168 Q CB 0.017 28.748 28.738 -0.012 0.000 1.081 168 Q HN 0.703 nan 8.270 nan 0.000 0.502 169 A N 1.639 124.453 122.820 -0.010 0.000 2.540 169 A HA 0.131 4.451 4.320 -0.000 0.000 0.239 169 A C 0.215 177.794 177.584 -0.008 0.000 1.061 169 A CA 0.010 52.043 52.037 -0.007 0.000 0.758 169 A CB 0.054 19.053 19.000 -0.002 0.000 0.991 169 A HN 0.232 nan 8.150 nan 0.000 0.502 170 R N 2.666 123.167 120.500 0.002 0.000 2.229 170 R HA 0.442 4.782 4.340 -0.000 0.000 0.328 170 R C -1.104 175.197 176.300 0.002 0.000 1.009 170 R CA -0.492 55.609 56.100 0.001 0.000 0.864 170 R CB 0.716 31.022 30.300 0.009 0.000 1.085 170 R HN 0.492 nan 8.270 nan 0.000 0.453 171 V N 7.689 127.590 119.914 -0.023 0.000 2.415 171 V HA 0.023 4.142 4.120 -0.000 0.000 0.267 171 V C 1.239 177.325 176.094 -0.013 0.000 1.042 171 V CA 0.152 62.429 62.300 -0.037 0.000 1.000 171 V CB 0.919 32.694 31.823 -0.080 0.000 1.015 171 V HN 0.855 nan 8.190 nan 0.000 0.478 172 L N 4.084 125.311 121.223 0.006 0.000 2.354 172 L HA 0.323 4.663 4.340 -0.000 0.000 0.212 172 L C 0.935 177.852 176.870 0.078 0.000 1.091 172 L CA 0.597 55.445 54.840 0.013 0.000 0.828 172 L CB -0.026 42.019 42.059 -0.024 0.000 0.973 172 L HN 0.723 nan 8.230 nan 0.000 0.461 173 H N -1.393 117.635 119.070 -0.071 0.000 3.024 173 H HA 0.426 4.982 4.556 -0.000 0.000 0.324 173 H C -1.917 173.339 175.328 -0.120 0.000 1.347 173 H CA -0.673 55.326 56.048 -0.081 0.000 1.182 173 H CB 2.403 32.128 29.762 -0.061 0.000 1.889 173 H HN -0.307 nan 8.280 nan 0.000 0.528 174 V N 3.467 123.030 119.914 -0.585 0.000 2.760 174 V HA 0.390 4.510 4.120 -0.000 0.000 0.309 174 V C -0.608 174.983 176.094 -0.838 0.000 1.077 174 V CA -0.706 61.245 62.300 -0.582 0.000 0.910 174 V CB 1.833 33.475 31.823 -0.301 0.000 1.008 174 V HN 0.434 nan 8.190 nan 0.000 0.424 175 V N 3.459 122.843 119.914 -0.882 0.000 2.604 175 V HA 0.977 5.097 4.120 -0.000 0.000 0.305 175 V C 0.616 176.525 176.094 -0.308 0.000 1.043 175 V CA 0.495 62.348 62.300 -0.744 0.000 0.888 175 V CB 1.228 32.373 31.823 -1.129 0.000 0.995 175 V HN 1.432 nan 8.190 nan 0.000 0.429 176 G N 4.215 112.934 108.800 -0.135 0.000 2.693 176 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.226 176 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.226 176 G C -1.078 173.708 174.900 -0.189 0.000 1.354 176 G CA -0.123 44.950 45.100 -0.044 0.000 0.873 176 G HN 0.714 nan 8.290 nan 0.000 0.562 177 D N -0.012 120.114 120.400 -0.457 0.000 2.581 177 D HA 0.403 5.043 4.640 -0.000 0.000 0.232 177 D C -0.165 175.583 176.300 -0.921 0.000 1.143 177 D CA -0.753 52.792 54.000 -0.758 0.000 0.881 177 D CB 1.646 42.219 40.800 -0.379 0.000 1.500 177 D HN 0.528 nan 8.370 nan 0.000 0.458 178 K N 1.279 121.123 120.400 -0.926 0.000 2.401 178 K HA 0.255 4.575 4.320 -0.000 0.000 0.278 178 K C -2.234 174.186 176.600 -0.300 0.000 1.018 178 K CA -0.939 54.983 56.287 -0.609 0.000 0.981 178 K CB 0.162 32.252 32.500 -0.682 0.000 0.933 178 K HN 0.058 nan 8.250 nan 0.000 0.477 179 P HA 0.014 nan 4.420 nan 0.000 0.272 179 P C -1.285 175.786 177.300 -0.382 0.000 1.223 179 P CA -0.171 62.739 63.100 -0.316 0.000 0.784 179 P CB 0.828 32.298 31.700 -0.382 0.000 0.923 180 A N 2.498 125.013 122.820 -0.509 0.000 2.304 180 A HA 0.700 5.020 4.320 -0.000 0.000 0.323 180 A C -1.028 176.200 177.584 -0.593 0.000 1.195 180 A CA -0.346 51.473 52.037 -0.362 0.000 0.826 180 A CB 0.029 18.899 19.000 -0.216 0.000 1.184 180 A HN 0.390 nan 8.150 nan 0.000 0.496 181 F N 0.965 120.809 119.950 -0.177 0.000 2.532 181 F HA 0.389 4.916 4.527 -0.000 0.000 0.321 181 F C 1.395 177.084 175.800 -0.185 0.000 1.089 181 F CA -0.243 57.575 58.000 -0.305 0.000 0.926 181 F CB 2.480 41.033 39.000 -0.745 0.000 1.168 181 F HN 0.577 nan 8.300 nan 0.000 0.459 182 S N 0.856 116.660 115.700 0.174 0.000 2.593 182 S HA 0.210 4.680 4.470 -0.000 0.000 0.217 182 S C -0.226 174.552 174.600 0.296 0.000 0.966 182 S CA -0.048 58.280 58.200 0.213 0.000 0.914 182 S CB -0.917 62.425 63.200 0.236 0.000 0.776 182 S HN 0.469 nan 8.310 nan 0.000 0.523 183 F N -0.911 119.116 119.950 0.128 0.000 2.664 183 F HA 0.762 5.289 4.527 -0.000 0.000 0.317 183 F C -0.650 175.163 175.800 0.022 0.000 1.108 183 F CA -1.974 56.062 58.000 0.060 0.000 0.957 183 F CB 0.681 39.705 39.000 0.041 0.000 1.365 183 F HN -0.165 nan 8.300 nan 0.000 0.475 184 Q N 4.188 124.006 119.800 0.031 0.000 2.286 184 Q HA 0.332 4.672 4.340 -0.000 0.000 0.265 184 Q C -2.535 173.313 176.000 -0.253 0.000 1.080 184 Q CA -2.096 53.634 55.803 -0.121 0.000 0.906 184 Q CB 0.464 29.188 28.738 -0.023 0.000 1.227 184 Q HN 0.404 nan 8.270 nan 0.000 0.409 185 P HA -0.024 nan 4.420 nan 0.000 0.265 185 P C -0.818 176.295 177.300 -0.312 0.000 1.193 185 P CA 0.355 63.008 63.100 -0.745 0.000 0.765 185 P CB 0.696 31.690 31.700 -1.177 0.000 0.823 186 R N 1.210 121.614 120.500 -0.160 0.000 2.549 186 R HA 0.559 4.899 4.340 -0.000 0.000 0.267 186 R C 0.974 177.203 176.300 -0.117 0.000 1.045 186 R CA -0.683 55.362 56.100 -0.092 0.000 1.115 186 R CB 0.595 30.884 30.300 -0.019 0.000 1.121 186 R HN 0.514 nan 8.270 nan 0.000 0.543 187 G N -0.011 108.725 108.800 -0.106 0.000 2.503 187 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.257 187 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.257 187 G C 0.946 175.794 174.900 -0.087 0.000 1.214 187 G CA -0.417 44.625 45.100 -0.096 0.000 0.839 187 G HN 0.954 nan 8.290 nan 0.000 0.559 188 H N 1.436 120.462 119.070 -0.073 0.000 2.390 188 H HA -0.153 4.403 4.556 0.000 0.000 0.298 188 H C 2.154 177.466 175.328 -0.026 0.000 1.106 188 H CA 1.460 57.482 56.048 -0.043 0.000 1.297 188 H CB -0.270 29.465 29.762 -0.046 0.000 1.375 188 H HN 0.346 nan 8.280 nan 0.000 0.509 189 L N 1.401 122.177 121.223 -0.744 0.000 2.056 189 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 189 L C 2.784 179.539 176.870 -0.192 0.000 1.078 189 L CA 2.032 56.624 54.840 -0.414 0.000 0.749 189 L CB -0.746 41.066 42.059 -0.412 0.000 0.901 189 L HN 0.383 nan 8.230 nan 0.000 0.433 190 E N -0.361 119.730 120.200 -0.181 0.000 2.051 190 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 190 E C 2.264 178.823 176.600 -0.068 0.000 0.991 190 E CA 1.697 58.028 56.400 -0.115 0.000 0.799 190 E CB -0.198 29.439 29.700 -0.106 0.000 0.748 190 E HN 0.608 nan 8.360 nan 0.000 0.449 191 I N 1.040 121.581 120.570 -0.048 0.000 2.163 191 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 191 I C 2.621 178.743 176.117 0.008 0.000 1.085 191 I CA 1.236 62.534 61.300 -0.004 0.000 1.347 191 I CB -0.369 37.649 38.000 0.030 0.000 1.044 191 I HN 0.181 nan 8.210 nan 0.000 0.408 192 A N 0.159 122.986 122.820 0.011 0.000 1.930 192 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 192 A C 2.212 179.815 177.584 0.031 0.000 1.175 192 A CA 1.496 53.556 52.037 0.037 0.000 0.627 192 A CB -0.516 18.520 19.000 0.061 0.000 0.815 192 A HN 0.434 nan 8.150 nan 0.000 0.443 193 E N -0.405 119.795 120.200 0.001 0.000 2.106 193 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 193 E C 2.062 178.660 176.600 -0.003 0.000 0.984 193 E CA 1.268 57.668 56.400 0.000 0.000 0.806 193 E CB -0.108 29.570 29.700 -0.037 0.000 0.750 193 E HN 0.706 nan 8.360 nan 0.000 0.458 194 K N 1.063 121.454 120.400 -0.016 0.000 2.097 194 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 194 K C 1.710 178.302 176.600 -0.013 0.000 1.049 194 K CA 1.002 57.276 56.287 -0.021 0.000 0.933 194 K CB 0.054 32.538 32.500 -0.027 0.000 0.717 194 K HN 0.119 nan 8.250 nan 0.000 0.442 195 L N 0.721 121.948 121.223 0.007 0.000 2.592 195 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 195 L C -0.001 176.896 176.870 0.044 0.000 1.127 195 L CA -0.022 54.828 54.840 0.017 0.000 0.884 195 L CB -0.103 41.976 42.059 0.033 0.000 1.065 195 L HN 0.277 nan 8.230 nan 0.000 0.457 196 D N 0.989 121.423 120.400 0.056 0.000 2.689 196 D HA -0.227 4.413 4.640 -0.000 0.000 0.237 196 D C 0.799 177.183 176.300 0.140 0.000 1.148 196 D CA 0.819 54.885 54.000 0.109 0.000 0.656 196 D CB -0.748 40.153 40.800 0.167 0.000 1.050 196 D HN 0.596 nan 8.370 nan 0.000 0.426 197 I N -3.285 117.354 120.570 0.114 0.000 4.139 197 I HA 0.325 4.495 4.170 -0.000 0.000 0.335 197 I C 0.543 176.748 176.117 0.145 0.000 1.327 197 I CA -0.234 61.140 61.300 0.124 0.000 1.112 197 I CB 0.321 38.384 38.000 0.104 0.000 1.058 197 I HN -0.027 nan 8.210 nan 0.000 0.396 198 I N 1.793 122.450 120.570 0.146 0.000 2.656 198 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 198 I C -0.775 175.456 176.117 0.190 0.000 1.144 198 I CA -0.619 60.794 61.300 0.189 0.000 1.038 198 I CB 2.595 40.687 38.000 0.154 0.000 1.244 198 I HN 0.090 nan 8.210 nan 0.000 0.420 199 R N 4.855 125.516 120.500 0.268 0.000 2.575 199 R HA 0.511 4.851 4.340 -0.000 0.000 0.293 199 R C -0.606 175.902 176.300 0.347 0.000 0.983 199 R CA -0.265 55.982 56.100 0.245 0.000 0.887 199 R CB 1.919 32.327 30.300 0.180 0.000 1.184 199 R HN 0.755 nan 8.270 nan 0.000 0.445 200 Q N 1.967 121.959 119.800 0.320 0.000 2.215 200 Q HA 0.075 4.415 4.340 -0.000 0.000 0.257 200 Q C -0.434 175.852 176.000 0.476 0.000 0.792 200 Q CA -0.108 55.954 55.803 0.431 0.000 0.958 200 Q CB 1.046 30.099 28.738 0.525 0.000 1.158 200 Q HN 0.564 nan 8.270 nan 0.000 0.490 201 K N 1.400 121.991 120.400 0.319 0.000 2.414 201 K HA 0.179 4.499 4.320 -0.000 0.000 0.272 201 K C -0.461 176.244 176.600 0.175 0.000 0.993 201 K CA -0.176 56.246 56.287 0.225 0.000 0.964 201 K CB 0.494 33.005 32.500 0.019 0.000 0.925 201 K HN -0.042 nan 8.250 nan 0.000 0.487 202 R N 1.146 121.732 120.500 0.143 0.000 3.251 202 R HA -0.183 4.157 4.340 -0.000 0.000 0.249 202 R C -0.035 176.325 176.300 0.099 0.000 0.949 202 R CA 0.497 56.631 56.100 0.057 0.000 0.645 202 R CB -1.747 28.509 30.300 -0.073 0.000 1.065 202 R HN 0.684 nan 8.270 nan 0.000 0.452 203 L N -1.543 119.758 121.223 0.129 0.000 2.966 203 L HA 0.058 4.398 4.340 -0.000 0.000 0.262 203 L C 2.030 178.908 176.870 0.014 0.000 1.165 203 L CA 0.288 55.203 54.840 0.125 0.000 0.978 203 L CB 0.599 42.786 42.059 0.214 0.000 1.337 203 L HN 0.288 nan 8.230 nan 0.000 0.563 204 S N 0.313 115.958 115.700 -0.092 0.000 2.372 204 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 204 S C 1.673 176.031 174.600 -0.405 0.000 1.044 204 S CA 1.551 59.540 58.200 -0.352 0.000 1.050 204 S CB -0.183 62.722 63.200 -0.491 0.000 0.901 204 S HN 0.505 nan 8.310 nan 0.000 0.447 205 H N -0.310 118.761 119.070 0.002 0.000 2.529 205 H HA 0.361 4.917 4.556 -0.000 0.000 0.277 205 H C 1.583 176.922 175.328 0.018 0.000 1.004 205 H CA 0.431 56.481 56.048 0.003 0.000 1.167 205 H CB 0.153 29.930 29.762 0.024 0.000 1.445 205 H HN 0.325 nan 8.280 nan 0.000 0.554 206 V N 0.218 120.187 119.914 0.092 0.000 2.721 206 V HA -0.037 4.083 4.120 -0.000 0.000 0.236 206 V C 1.712 177.840 176.094 0.058 0.000 1.116 206 V CA 1.522 63.881 62.300 0.098 0.000 1.148 206 V CB 0.257 32.164 31.823 0.140 0.000 0.886 206 V HN 0.407 nan 8.190 nan 0.000 0.490 207 S N -1.055 114.673 115.700 0.048 0.000 2.787 207 S HA 0.558 5.028 4.470 -0.000 0.000 0.255 207 S C 0.777 175.372 174.600 -0.008 0.000 1.051 207 S CA 0.377 58.580 58.200 0.006 0.000 1.124 207 S CB 0.960 64.161 63.200 0.002 0.000 1.104 207 S HN 1.287 nan 8.310 nan 0.000 0.623 208 G N 1.873 110.636 108.800 -0.061 0.000 2.796 208 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.571 208 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.571 208 G C -0.820 174.031 174.900 -0.083 0.000 1.370 208 G CA -0.762 44.242 45.100 -0.161 0.000 0.856 208 G HN 0.493 nan 8.290 nan 0.000 0.538 209 H N 0.758 119.845 119.070 0.029 0.000 2.771 209 H HA 0.364 4.920 4.556 -0.000 0.000 0.364 209 H C 1.623 177.013 175.328 0.104 0.000 1.133 209 H CA 0.738 56.773 56.048 -0.022 0.000 1.423 209 H CB 0.336 30.060 29.762 -0.063 0.000 1.425 209 H HN 0.743 nan 8.280 nan 0.000 0.606 210 R N -0.335 120.223 120.500 0.097 0.000 3.525 210 R HA -0.141 4.199 4.340 -0.000 0.000 0.276 210 R C -0.393 176.030 176.300 0.205 0.000 1.116 210 R CA 0.797 56.922 56.100 0.042 0.000 0.745 210 R CB -1.787 28.386 30.300 -0.211 0.000 1.185 210 R HN 0.737 nan 8.270 nan 0.000 0.454 211 S N -0.417 115.451 115.700 0.281 0.000 2.638 211 S HA 0.881 5.351 4.470 -0.000 0.000 0.302 211 S C -0.555 174.301 174.600 0.428 0.000 1.096 211 S CA -0.692 57.734 58.200 0.377 0.000 0.953 211 S CB 2.409 65.778 63.200 0.283 0.000 1.107 211 S HN 0.419 nan 8.310 nan 0.000 0.503 212 Y N -2.571 117.924 120.300 0.324 0.000 2.713 212 Y HA 0.733 5.283 4.550 -0.000 0.000 0.335 212 Y C -2.200 173.797 175.900 0.162 0.000 1.222 212 Y CA -1.750 56.497 58.100 0.246 0.000 1.061 212 Y CB 0.404 38.964 38.460 0.167 0.000 1.314 212 Y HN 0.687 nan 8.280 nan 0.000 0.453 213 Y N 1.389 121.847 120.300 0.264 0.000 2.485 213 Y HA 0.738 5.288 4.550 0.000 0.000 0.345 213 Y C -0.640 175.415 175.900 0.259 0.000 0.998 213 Y CA -1.079 57.120 58.100 0.165 0.000 1.059 213 Y CB 2.219 40.745 38.460 0.109 0.000 1.234 213 Y HN 0.541 nan 8.280 nan 0.000 0.461 214 L N 3.684 125.117 121.223 0.350 0.000 2.329 214 L HA 0.675 5.015 4.340 -0.000 0.000 0.279 214 L C -0.503 176.490 176.870 0.206 0.000 1.014 214 L CA -0.826 54.180 54.840 0.277 0.000 0.814 214 L CB 2.141 44.348 42.059 0.247 0.000 1.257 214 L HN 0.572 nan 8.230 nan 0.000 0.424 215 R N 1.287 121.885 120.500 0.163 0.000 2.744 215 R HA 0.651 4.991 4.340 -0.000 0.000 0.279 215 R C 0.441 176.798 176.300 0.094 0.000 0.977 215 R CA 0.416 56.581 56.100 0.110 0.000 0.906 215 R CB 1.988 32.337 30.300 0.083 0.000 1.197 215 R HN 0.760 nan 8.270 nan 0.000 0.463 216 G N 1.997 110.837 108.800 0.065 0.000 2.660 216 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.321 216 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.321 216 G C 0.894 175.838 174.900 0.074 0.000 1.246 216 G CA 0.896 46.036 45.100 0.067 0.000 1.000 216 G HN 0.952 nan 8.290 nan 0.000 0.550 217 A N -0.072 122.795 122.820 0.079 0.000 2.024 217 A HA 0.194 4.514 4.320 -0.000 0.000 0.220 217 A C 2.909 180.541 177.584 0.079 0.000 1.164 217 A CA 2.699 54.780 52.037 0.073 0.000 0.643 217 A CB -1.140 17.899 19.000 0.065 0.000 0.806 217 A HN 2.118 nan 8.150 nan 0.000 0.451 218 G N -0.605 108.250 108.800 0.091 0.000 2.404 218 G HA2 0.024 3.984 3.960 -0.000 0.000 0.215 218 G HA3 0.024 3.984 3.960 -0.000 0.000 0.215 218 G C 1.726 176.690 174.900 0.108 0.000 1.174 218 G CA 1.289 46.450 45.100 0.102 0.000 0.780 218 G HN 0.789 nan 8.290 nan 0.000 0.537 219 A N 0.406 123.290 122.820 0.107 0.000 1.930 219 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 219 A C 2.403 180.050 177.584 0.106 0.000 1.175 219 A CA 0.964 53.063 52.037 0.104 0.000 0.627 219 A CB -0.324 18.724 19.000 0.080 0.000 0.815 219 A HN 0.343 nan 8.150 nan 0.000 0.443 220 L N -0.677 120.604 121.223 0.097 0.000 2.131 220 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 220 L C 2.489 179.439 176.870 0.134 0.000 1.092 220 L CA 0.783 55.701 54.840 0.130 0.000 0.759 220 L CB -0.476 41.649 42.059 0.109 0.000 0.903 220 L HN 0.377 nan 8.230 nan 0.000 0.435 221 L N -0.542 120.733 121.223 0.086 0.000 2.056 221 L HA -0.244 4.096 4.340 -0.000 0.000 0.207 221 L C 2.730 179.616 176.870 0.027 0.000 1.078 221 L CA 1.335 56.200 54.840 0.042 0.000 0.749 221 L CB -0.374 41.704 42.059 0.032 0.000 0.901 221 L HN 0.376 nan 8.230 nan 0.000 0.433 222 Q N -0.571 119.268 119.800 0.066 0.000 2.050 222 Q HA -0.300 4.040 4.340 -0.000 0.000 0.202 222 Q C 2.219 178.247 176.000 0.047 0.000 0.980 222 Q CA 1.950 57.788 55.803 0.060 0.000 0.840 222 Q CB -0.137 28.662 28.738 0.102 0.000 0.898 222 Q HN 0.480 nan 8.270 nan 0.000 0.424 223 H N -0.599 118.462 119.070 -0.014 0.000 2.319 223 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 223 H C 1.762 176.997 175.328 -0.155 0.000 1.097 223 H CA 2.380 58.410 56.048 -0.031 0.000 1.285 223 H CB -0.608 29.172 29.762 0.031 0.000 1.368 223 H HN 0.415 nan 8.280 nan 0.000 0.495 224 G N 0.117 108.803 108.800 -0.190 0.000 2.402 224 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 224 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 224 G C 1.830 176.388 174.900 -0.571 0.000 1.162 224 G CA 0.834 45.557 45.100 -0.628 0.000 0.777 224 G HN 0.416 nan 8.290 nan 0.000 0.539 225 L N 0.141 121.210 121.223 -0.256 0.000 2.017 225 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 225 L C 3.026 179.824 176.870 -0.118 0.000 1.073 225 L CA 0.621 55.374 54.840 -0.144 0.000 0.745 225 L CB -0.534 41.477 42.059 -0.081 0.000 0.894 225 L HN 0.093 nan 8.230 nan 0.000 0.432 226 V N 0.037 119.860 119.914 -0.152 0.000 2.295 226 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 226 V C 2.235 178.214 176.094 -0.192 0.000 1.049 226 V CA 1.910 64.129 62.300 -0.134 0.000 1.024 226 V CB -0.637 31.127 31.823 -0.099 0.000 0.648 226 V HN 0.484 nan 8.190 nan 0.000 0.447 227 N N -0.417 118.081 118.700 -0.337 0.000 2.188 227 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 227 N C 1.704 177.081 175.510 -0.221 0.000 1.018 227 N CA 1.519 54.384 53.050 -0.309 0.000 0.858 227 N CB -0.446 37.799 38.487 -0.404 0.000 0.989 227 N HN 0.569 nan 8.380 nan 0.000 0.426 228 F N 1.958 121.621 119.950 -0.479 0.000 2.102 228 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 228 F C 2.177 177.888 175.800 -0.148 0.000 1.105 228 F CA 1.370 59.230 58.000 -0.232 0.000 1.239 228 F CB -0.502 38.353 39.000 -0.242 0.000 0.991 228 F HN -0.076 nan 8.300 nan 0.000 0.474 229 T N 1.339 115.787 114.554 -0.177 0.000 2.737 229 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 229 T C 1.837 176.370 174.700 -0.279 0.000 1.038 229 T CA 1.360 63.306 62.100 -0.257 0.000 1.144 229 T CB -0.497 68.307 68.868 -0.106 0.000 0.866 229 T HN 0.109 nan 8.240 nan 0.000 0.434 230 L N 2.088 123.193 121.223 -0.196 0.000 2.017 230 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 230 L C 2.199 178.991 176.870 -0.129 0.000 1.073 230 L CA 1.616 56.367 54.840 -0.149 0.000 0.745 230 L CB -1.078 40.921 42.059 -0.100 0.000 0.894 230 L HN 0.188 nan 8.230 nan 0.000 0.432 231 N N -0.381 118.238 118.700 -0.135 0.000 2.120 231 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 231 N C 1.843 177.263 175.510 -0.149 0.000 1.024 231 N CA 1.253 54.245 53.050 -0.096 0.000 0.852 231 N CB -0.241 38.175 38.487 -0.119 0.000 1.003 231 N HN 0.385 nan 8.380 nan 0.000 0.424 232 K N 1.050 121.255 120.400 -0.325 0.000 2.026 232 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 232 K C 2.017 178.508 176.600 -0.183 0.000 1.048 232 K CA 0.884 56.977 56.287 -0.324 0.000 0.929 232 K CB -0.113 32.060 32.500 -0.545 0.000 0.713 232 K HN 0.087 nan 8.250 nan 0.000 0.439 233 L N 0.753 121.822 121.223 -0.258 0.000 2.093 233 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 233 L C 2.413 179.270 176.870 -0.023 0.000 1.085 233 L CA 0.803 55.448 54.840 -0.326 0.000 0.755 233 L CB -0.289 41.377 42.059 -0.653 0.000 0.904 233 L HN 0.229 nan 8.230 nan 0.000 0.435 234 I N -0.748 119.839 120.570 0.029 0.000 2.286 234 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 234 I C 2.190 178.370 176.117 0.105 0.000 1.115 234 I CA 1.227 62.589 61.300 0.104 0.000 1.392 234 I CB -0.330 37.727 38.000 0.095 0.000 1.065 234 I HN 0.277 nan 8.210 nan 0.000 0.418 235 H N 0.276 119.346 119.070 -0.000 0.000 2.547 235 H HA 0.076 4.632 4.556 -0.000 0.000 0.272 235 H C 1.461 176.814 175.328 0.042 0.000 0.989 235 H CA 0.591 56.645 56.048 0.011 0.000 1.214 235 H CB 0.102 29.853 29.762 -0.018 0.000 1.389 235 H HN 0.010 nan 8.280 nan 0.000 0.577 236 R N -0.385 120.220 120.500 0.175 0.000 2.359 236 R HA 0.225 4.565 4.340 -0.000 0.000 0.231 236 R C 0.810 177.251 176.300 0.235 0.000 0.913 236 R CA 0.561 56.779 56.100 0.197 0.000 1.075 236 R CB 0.247 30.678 30.300 0.217 0.000 1.087 236 R HN 0.498 nan 8.270 nan 0.000 0.515 237 G N 0.557 109.468 108.800 0.185 0.000 2.176 237 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 237 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 237 G C 0.061 175.021 174.900 0.100 0.000 0.986 237 G CA -0.508 44.653 45.100 0.102 0.000 0.643 237 G HN 0.261 nan 8.290 nan 0.000 0.522 238 F N 1.976 121.930 119.950 0.007 0.000 2.484 238 F HA 0.440 4.967 4.527 0.000 0.000 0.360 238 F C 1.309 177.113 175.800 0.006 0.000 1.101 238 F CA 0.251 58.259 58.000 0.014 0.000 1.251 238 F CB 1.098 40.090 39.000 -0.014 0.000 1.132 238 F HN -0.075 nan 8.300 nan 0.000 0.570 239 T N 6.026 120.660 114.554 0.134 0.000 2.737 239 T HA 0.166 4.516 4.350 -0.000 0.000 0.296 239 T C -2.303 172.442 174.700 0.077 0.000 0.922 239 T CA -1.192 60.955 62.100 0.078 0.000 1.079 239 T CB 0.450 69.346 68.868 0.048 0.000 0.892 239 T HN 0.258 nan 8.240 nan 0.000 0.514 240 P HA 0.274 nan 4.420 nan 0.000 0.275 240 P C -0.810 176.465 177.300 -0.041 0.000 1.227 240 P CA -0.402 62.704 63.100 0.010 0.000 0.781 240 P CB 0.754 32.455 31.700 0.002 0.000 0.906 241 M N 1.217 120.779 119.600 -0.063 0.000 2.593 241 M HA 0.385 4.865 4.480 -0.000 0.000 0.290 241 M C -0.280 175.952 176.300 -0.113 0.000 1.244 241 M CA -0.368 54.853 55.300 -0.131 0.000 0.857 241 M CB 2.262 34.746 32.600 -0.193 0.000 1.738 241 M HN 0.180 nan 8.290 nan 0.000 0.461 242 T N 2.038 116.511 114.554 -0.135 0.000 2.841 242 T HA 0.729 5.079 4.350 -0.000 0.000 0.285 242 T C -0.827 173.799 174.700 -0.124 0.000 0.991 242 T CA -0.531 61.508 62.100 -0.102 0.000 0.966 242 T CB 1.476 70.299 68.868 -0.076 0.000 0.962 242 T HN 0.572 nan 8.240 nan 0.000 0.438 243 V N 2.678 122.530 119.914 -0.103 0.000 3.001 243 V HA 0.880 5.000 4.120 -0.000 0.000 0.314 243 V C -2.797 173.259 176.094 -0.064 0.000 1.099 243 V CA -2.717 59.522 62.300 -0.102 0.000 0.989 243 V CB 1.062 32.812 31.823 -0.123 0.000 1.040 243 V HN 0.589 nan 8.190 nan 0.000 0.434 244 P HA 0.367 nan 4.420 nan 0.000 0.271 244 P C -0.281 177.009 177.300 -0.016 0.000 1.218 244 P CA -0.082 62.999 63.100 -0.032 0.000 0.780 244 P CB 0.536 32.218 31.700 -0.029 0.000 0.901 245 D N 0.533 120.937 120.400 0.007 0.000 2.355 245 D HA 0.071 4.711 4.640 -0.000 0.000 0.206 245 D C 0.378 176.718 176.300 0.066 0.000 1.010 245 D CA 0.640 54.673 54.000 0.055 0.000 0.875 245 D CB 0.364 41.227 40.800 0.106 0.000 0.966 245 D HN 0.250 nan 8.370 nan 0.000 0.512 246 L N 1.664 122.901 121.223 0.024 0.000 2.272 246 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 246 L C -0.565 176.343 176.870 0.064 0.000 1.032 246 L CA -0.331 54.529 54.840 0.034 0.000 0.810 246 L CB 1.236 43.273 42.059 -0.037 0.000 1.205 246 L HN -0.268 nan 8.230 nan 0.000 0.422 247 L N 3.227 124.545 121.223 0.158 0.000 2.359 247 L HA 0.557 4.897 4.340 -0.000 0.000 0.256 247 L C -0.186 176.834 176.870 0.250 0.000 1.026 247 L CA -0.691 54.241 54.840 0.153 0.000 0.828 247 L CB 2.004 44.096 42.059 0.056 0.000 1.406 247 L HN 0.445 nan 8.230 nan 0.000 0.413 248 R N 0.102 120.706 120.500 0.172 0.000 2.539 248 R HA 0.232 4.572 4.340 -0.000 0.000 0.275 248 R C 1.130 177.601 176.300 0.285 0.000 1.077 248 R CA 0.277 56.484 56.100 0.179 0.000 1.097 248 R CB 0.566 30.936 30.300 0.116 0.000 1.018 248 R HN 0.912 nan 8.270 nan 0.000 0.483 249 G N 1.126 110.065 108.800 0.232 0.000 2.503 249 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.221 249 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.221 249 G C 1.249 176.308 174.900 0.265 0.000 1.131 249 G CA 0.863 46.112 45.100 0.249 0.000 0.756 249 G HN 0.441 nan 8.290 nan 0.000 0.572 250 V N 0.641 120.643 119.914 0.148 0.000 2.380 250 V HA -0.214 3.906 4.120 -0.000 0.000 0.251 250 V C 2.982 179.099 176.094 0.039 0.000 1.063 250 V CA 2.268 64.592 62.300 0.039 0.000 1.055 250 V CB -0.271 31.430 31.823 -0.202 0.000 0.657 250 V HN 0.243 nan 8.190 nan 0.000 0.455 251 V N -0.571 119.370 119.914 0.045 0.000 2.427 251 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 251 V C 2.185 178.264 176.094 -0.026 0.000 1.051 251 V CA 2.411 64.691 62.300 -0.033 0.000 1.048 251 V CB -0.991 30.753 31.823 -0.132 0.000 0.666 251 V HN 0.536 nan 8.190 nan 0.000 0.456 252 F N 0.657 120.637 119.950 0.049 0.000 2.102 252 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 252 F C 2.552 178.401 175.800 0.082 0.000 1.105 252 F CA 1.924 59.965 58.000 0.068 0.000 1.239 252 F CB -0.420 38.615 39.000 0.058 0.000 0.991 252 F HN 0.141 nan 8.300 nan 0.000 0.474 253 E N 0.382 120.743 120.200 0.270 0.000 2.110 253 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 253 E C 2.448 179.142 176.600 0.157 0.000 0.988 253 E CA 1.398 57.910 56.400 0.186 0.000 0.804 253 E CB -0.801 28.984 29.700 0.141 0.000 0.745 253 E HN 0.271 nan 8.360 nan 0.000 0.458 254 G N -0.627 108.241 108.800 0.113 0.000 2.432 254 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 254 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 254 G C 1.635 176.630 174.900 0.160 0.000 1.135 254 G CA 0.923 46.072 45.100 0.082 0.000 0.767 254 G HN 0.411 nan 8.290 nan 0.000 0.550 255 C N 0.044 119.452 119.300 0.179 0.000 2.500 255 C HA 0.451 4.911 4.460 -0.000 0.000 0.273 255 C C 2.183 177.344 174.990 0.284 0.000 1.428 255 C CA 0.388 59.536 59.018 0.217 0.000 1.766 255 C CB -0.834 26.988 27.740 0.137 0.000 1.817 255 C HN 0.815 nan 8.230 nan 0.000 0.543 256 G N -0.030 108.978 108.800 0.346 0.000 2.134 256 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.209 256 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.209 256 G C -0.097 174.910 174.900 0.178 0.000 0.993 256 G CA 0.011 45.316 45.100 0.342 0.000 0.669 256 G HN 0.452 nan 8.290 nan 0.000 0.519 257 M N 0.463 120.181 119.600 0.198 0.000 2.527 257 M HA 0.642 5.122 4.480 -0.000 0.000 0.283 257 M C 0.765 177.161 176.300 0.160 0.000 1.188 257 M CA 0.155 55.564 55.300 0.181 0.000 0.941 257 M CB 1.522 34.282 32.600 0.267 0.000 1.498 257 M HN 0.403 nan 8.290 nan 0.000 0.510 258 T N -2.644 111.978 114.554 0.113 0.000 3.068 258 T HA 0.419 4.769 4.350 -0.000 0.000 0.364 258 T C -2.620 172.089 174.700 0.016 0.000 1.161 258 T CA -1.504 60.639 62.100 0.071 0.000 1.155 258 T CB 0.646 69.544 68.868 0.051 0.000 1.060 258 T HN 0.275 nan 8.240 nan 0.000 0.513 259 P HA 0.080 nan 4.420 nan 0.000 0.225 259 P C 0.983 178.248 177.300 -0.059 0.000 1.156 259 P CA 0.497 63.533 63.100 -0.107 0.000 0.787 259 P CB 0.206 31.821 31.700 -0.141 0.000 0.802 260 N N -1.007 117.686 118.700 -0.012 0.000 2.220 260 N HA 0.123 4.863 4.740 -0.000 0.000 0.195 260 N C 0.424 175.935 175.510 0.002 0.000 1.123 260 N CA -0.042 53.007 53.050 -0.001 0.000 0.874 260 N CB 0.146 38.644 38.487 0.018 0.000 0.995 260 N HN -0.015 nan 8.380 nan 0.000 0.498 261 A N 2.258 125.080 122.820 0.004 0.000 2.537 261 A HA -0.038 4.282 4.320 -0.000 0.000 0.260 261 A C 1.654 179.236 177.584 -0.004 0.000 1.082 261 A CA -0.031 52.010 52.037 0.005 0.000 0.765 261 A CB 0.398 19.402 19.000 0.007 0.000 1.019 261 A HN 0.014 nan 8.150 nan 0.000 0.507 262 K N 2.855 123.255 120.400 -0.001 0.000 2.005 262 K HA -0.175 4.145 4.320 -0.000 0.000 0.229 262 K C -1.255 175.338 176.600 -0.011 0.000 1.050 262 K CA 2.211 58.496 56.287 -0.004 0.000 0.994 262 K CB -1.364 31.137 32.500 0.001 0.000 0.736 262 K HN 0.685 nan 8.250 nan 0.000 0.448 263 P HA 0.087 nan 4.420 nan 0.000 0.256 263 P C -0.779 176.504 177.300 -0.028 0.000 1.689 263 P CA -0.062 63.029 63.100 -0.015 0.000 1.124 263 P CB 0.199 31.896 31.700 -0.006 0.000 1.766 264 S N 2.627 118.300 115.700 -0.046 0.000 2.586 264 S HA 0.179 4.649 4.470 -0.000 0.000 0.274 264 S C 0.990 175.527 174.600 -0.104 0.000 1.281 264 S CA -0.550 57.611 58.200 -0.066 0.000 1.035 264 S CB 1.210 64.363 63.200 -0.079 0.000 0.962 264 S HN 0.201 nan 8.310 nan 0.000 0.512 265 Q N 1.231 120.975 119.800 -0.093 0.000 2.403 265 Q HA 0.357 4.697 4.340 -0.000 0.000 0.203 265 Q C -0.163 175.726 176.000 -0.186 0.000 0.932 265 Q CA 0.328 56.061 55.803 -0.116 0.000 0.945 265 Q CB -0.328 28.392 28.738 -0.030 0.000 1.045 265 Q HN 0.734 nan 8.270 nan 0.000 0.511 266 I N 1.170 121.624 120.570 -0.193 0.000 2.321 266 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 266 I C -0.568 175.426 176.117 -0.205 0.000 0.998 266 I CA -0.994 60.177 61.300 -0.216 0.000 1.227 266 I CB 0.622 38.412 38.000 -0.349 0.000 1.368 266 I HN -0.088 nan 8.210 nan 0.000 0.466 267 Y N 5.899 126.153 120.300 -0.077 0.000 2.377 267 Y HA 0.142 4.692 4.550 -0.000 0.000 0.330 267 Y C 0.715 176.540 175.900 -0.125 0.000 1.108 267 Y CA -0.412 57.635 58.100 -0.088 0.000 1.308 267 Y CB 0.391 38.800 38.460 -0.085 0.000 1.216 267 Y HN 0.549 nan 8.280 nan 0.000 0.518 268 N N 2.899 121.639 118.700 0.067 0.000 2.319 268 N HA 0.338 5.078 4.740 -0.000 0.000 0.305 268 N C -1.077 174.443 175.510 0.016 0.000 1.103 268 N CA -0.580 52.471 53.050 0.001 0.000 0.815 268 N CB 1.696 40.171 38.487 -0.020 0.000 1.288 268 N HN 0.292 nan 8.380 nan 0.000 0.493 269 I N 0.769 121.344 120.570 0.009 0.000 2.634 269 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 269 I C 0.906 177.078 176.117 0.092 0.000 1.124 269 I CA -0.150 61.170 61.300 0.034 0.000 1.417 269 I CB -0.009 38.007 38.000 0.025 0.000 1.396 269 I HN 0.625 nan 8.210 nan 0.000 0.571 270 D N 8.564 129.030 120.400 0.111 0.000 2.660 270 D HA -0.075 4.565 4.640 -0.000 0.000 0.253 270 D C -1.639 174.712 176.300 0.085 0.000 1.256 270 D CA -0.869 53.183 54.000 0.087 0.000 0.914 270 D CB 0.881 41.728 40.800 0.079 0.000 1.137 270 D HN 0.242 nan 8.370 nan 0.000 0.542 271 P HA -0.126 nan 4.420 nan 0.000 0.220 271 P C 1.205 178.502 177.300 -0.006 0.000 1.148 271 P CA 1.017 64.138 63.100 0.035 0.000 0.803 271 P CB 0.086 31.803 31.700 0.028 0.000 0.782 272 S N -1.545 114.138 115.700 -0.028 0.000 2.561 272 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 272 S C 1.704 176.220 174.600 -0.140 0.000 0.977 272 S CA 0.395 58.557 58.200 -0.062 0.000 0.926 272 S CB -0.491 62.679 63.200 -0.049 0.000 0.769 272 S HN 0.147 nan 8.310 nan 0.000 0.533 273 R N -1.070 119.303 120.500 -0.213 0.000 2.276 273 R HA 0.400 4.740 4.340 -0.000 0.000 0.195 273 R C -0.893 174.881 176.300 -0.877 0.000 0.908 273 R CA 0.267 56.035 56.100 -0.553 0.000 1.083 273 R CB 0.463 30.385 30.300 -0.631 0.000 1.182 273 R HN 0.388 nan 8.270 nan 0.000 0.608 274 F N 1.092 121.037 119.950 -0.009 0.000 2.557 274 F HA 0.313 4.840 4.527 -0.000 0.000 0.316 274 F C -0.267 175.533 175.800 -0.000 0.000 1.141 274 F CA -1.216 56.780 58.000 -0.007 0.000 0.922 274 F CB 1.820 40.812 39.000 -0.014 0.000 1.194 274 F HN -0.178 nan 8.300 nan 0.000 0.443 275 E N 2.128 122.425 120.200 0.161 0.000 2.289 275 E HA 0.109 4.459 4.350 -0.000 0.000 0.278 275 E C -0.485 176.178 176.600 0.106 0.000 1.032 275 E CA -0.268 56.195 56.400 0.105 0.000 0.854 275 E CB 0.652 30.397 29.700 0.076 0.000 1.046 275 E HN 0.649 nan 8.360 nan 0.000 0.409 276 D N 3.086 123.539 120.400 0.089 0.000 2.886 276 D HA -0.192 4.448 4.640 -0.000 0.000 0.221 276 D C -1.850 174.500 176.300 0.083 0.000 1.227 276 D CA 0.644 54.694 54.000 0.084 0.000 0.746 276 D CB -0.633 40.225 40.800 0.097 0.000 0.935 276 D HN 0.180 nan 8.370 nan 0.000 0.399 277 L N 2.691 123.956 121.223 0.070 0.000 2.409 277 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 277 L C -0.263 176.625 176.870 0.030 0.000 0.980 277 L CA -0.682 54.190 54.840 0.053 0.000 0.826 277 L CB 1.856 43.927 42.059 0.020 0.000 1.268 277 L HN 0.141 nan 8.230 nan 0.000 0.407 278 N N 4.117 122.854 118.700 0.062 0.000 2.242 278 N HA 0.528 5.268 4.740 -0.000 0.000 0.292 278 N C -1.227 174.355 175.510 0.120 0.000 1.125 278 N CA -0.608 52.446 53.050 0.006 0.000 0.783 278 N CB 2.715 41.066 38.487 -0.226 0.000 1.558 278 N HN 0.358 nan 8.380 nan 0.000 0.472 279 L N 1.425 122.689 121.223 0.068 0.000 2.326 279 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 279 L C 0.819 177.908 176.870 0.365 0.000 1.092 279 L CA -0.517 54.401 54.840 0.129 0.000 0.810 279 L CB 0.935 42.943 42.059 -0.086 0.000 1.153 279 L HN 0.547 nan 8.230 nan 0.000 0.439 280 A N 2.040 125.117 122.820 0.428 0.000 2.340 280 A HA 0.523 4.843 4.320 -0.000 0.000 0.268 280 A C 0.976 178.750 177.584 0.316 0.000 1.100 280 A CA 0.085 52.389 52.037 0.444 0.000 0.803 280 A CB 0.861 19.967 19.000 0.178 0.000 1.043 280 A HN 0.911 nan 8.150 nan 0.000 0.488 281 G N -0.624 108.340 108.800 0.274 0.000 3.088 281 G HA2 0.413 4.373 3.960 -0.000 0.000 0.217 281 G HA3 0.413 4.373 3.960 -0.000 0.000 0.217 281 G C 0.364 175.298 174.900 0.056 0.000 1.159 281 G CA 0.962 46.153 45.100 0.151 0.000 0.760 281 G HN 1.171 nan 8.290 nan 0.000 0.550 282 T N -2.395 112.192 114.554 0.055 0.000 2.977 282 T HA 0.450 4.800 4.350 -0.000 0.000 0.345 282 T C 0.777 175.477 174.700 0.000 0.000 1.562 282 T CA 0.492 62.608 62.100 0.026 0.000 1.090 282 T CB 0.914 69.834 68.868 0.086 0.000 1.383 282 T HN 0.290 nan 8.240 nan 0.000 0.484 283 A N 1.872 124.683 122.820 -0.016 0.000 2.172 283 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 283 A C 1.867 179.411 177.584 -0.067 0.000 1.154 283 A CA 1.860 53.868 52.037 -0.047 0.000 0.701 283 A CB -0.754 18.218 19.000 -0.046 0.000 0.789 283 A HN 0.928 nan 8.150 nan 0.000 0.465 284 E N 0.276 120.482 120.200 0.009 0.000 2.118 284 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 284 E C 1.707 178.268 176.600 -0.065 0.000 0.992 284 E CA 1.749 58.185 56.400 0.061 0.000 0.804 284 E CB -0.193 29.622 29.700 0.193 0.000 0.741 284 E HN 0.381 nan 8.360 nan 0.000 0.458 285 V N 0.829 120.674 119.914 -0.116 0.000 2.261 285 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 285 V C 2.540 178.487 176.094 -0.244 0.000 1.047 285 V CA 2.039 64.183 62.300 -0.261 0.000 1.015 285 V CB -1.180 30.310 31.823 -0.555 0.000 0.642 285 V HN 0.521 nan 8.190 nan 0.000 0.446 286 G N -0.340 108.335 108.800 -0.208 0.000 2.422 286 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 286 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 286 G C 1.610 176.399 174.900 -0.184 0.000 1.146 286 G CA 0.941 45.940 45.100 -0.167 0.000 0.769 286 G HN 0.463 nan 8.290 nan 0.000 0.547 287 L N 0.583 121.627 121.223 -0.298 0.000 2.093 287 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 287 L C 3.385 180.044 176.870 -0.352 0.000 1.085 287 L CA 0.957 55.517 54.840 -0.466 0.000 0.755 287 L CB -0.357 41.162 42.059 -0.900 0.000 0.904 287 L HN 0.298 nan 8.230 nan 0.000 0.435 288 A N 0.310 122.950 122.820 -0.299 0.000 1.902 288 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 288 A C 2.394 180.052 177.584 0.123 0.000 1.181 288 A CA 1.612 53.700 52.037 0.084 0.000 0.623 288 A CB -1.220 17.863 19.000 0.139 0.000 0.818 288 A HN 0.434 nan 8.150 nan 0.000 0.443 289 G N -1.970 106.831 108.800 0.003 0.000 2.448 289 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 289 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 289 G C 1.468 176.374 174.900 0.009 0.000 1.127 289 G CA 1.219 46.322 45.100 0.004 0.000 0.766 289 G HN 0.594 nan 8.290 nan 0.000 0.552 290 Y N 0.657 120.852 120.300 -0.176 0.000 2.200 290 Y HA 0.051 4.601 4.550 -0.000 0.000 0.290 290 Y C 2.049 177.722 175.900 -0.378 0.000 1.137 290 Y CA 1.121 59.013 58.100 -0.347 0.000 1.163 290 Y CB -0.177 37.953 38.460 -0.550 0.000 0.988 290 Y HN 0.163 nan 8.280 nan 0.000 0.518 291 F N -0.169 119.779 119.950 -0.003 0.000 2.615 291 F HA 0.031 4.558 4.527 -0.000 0.000 0.297 291 F C 1.373 177.234 175.800 0.102 0.000 1.124 291 F CA 0.253 58.261 58.000 0.014 0.000 1.451 291 F CB -0.565 38.557 39.000 0.204 0.000 1.103 291 F HN -0.062 nan 8.300 nan 0.000 0.569 292 M N 1.325 121.075 119.600 0.250 0.000 2.255 292 M HA -0.133 4.347 4.480 -0.000 0.000 0.356 292 M C 0.241 176.735 176.300 0.323 0.000 1.338 292 M CA 0.805 56.258 55.300 0.255 0.000 0.962 292 M CB 0.116 32.815 32.600 0.166 0.000 1.877 292 M HN 0.229 nan 8.290 nan 0.000 0.463 293 D N 1.696 122.263 120.400 0.280 0.000 2.983 293 D HA -0.213 4.427 4.640 -0.000 0.000 0.225 293 D C -1.076 175.199 176.300 -0.041 0.000 1.174 293 D CA 1.418 55.499 54.000 0.136 0.000 0.831 293 D CB -1.401 39.432 40.800 0.056 0.000 1.104 293 D HN 0.785 nan 8.370 nan 0.000 0.421 294 H N -1.521 117.601 119.070 0.087 0.000 2.855 294 H HA 0.694 5.250 4.556 -0.000 0.000 0.363 294 H C -0.380 175.013 175.328 0.109 0.000 1.185 294 H CA -0.514 55.566 56.048 0.055 0.000 1.174 294 H CB 1.931 31.681 29.762 -0.020 0.000 1.857 294 H HN -0.090 nan 8.280 nan 0.000 0.565 295 S N 0.878 116.701 115.700 0.205 0.000 2.526 295 S HA 0.638 5.108 4.470 -0.000 0.000 0.293 295 S C -0.891 173.836 174.600 0.211 0.000 1.092 295 S CA -0.635 57.671 58.200 0.176 0.000 0.980 295 S CB 0.451 63.697 63.200 0.077 0.000 1.048 295 S HN 0.577 nan 8.310 nan 0.000 0.483 296 V N 2.081 122.144 119.914 0.248 0.000 2.850 296 V HA 0.988 5.108 4.120 -0.000 0.000 0.315 296 V C 0.355 176.584 176.094 0.224 0.000 1.064 296 V CA -0.949 61.493 62.300 0.238 0.000 0.979 296 V CB 0.922 32.900 31.823 0.259 0.000 1.039 296 V HN 1.106 nan 8.190 nan 0.000 0.452 297 A N 1.822 124.751 122.820 0.181 0.000 2.401 297 A HA 0.524 4.844 4.320 -0.000 0.000 0.259 297 A C 0.505 178.207 177.584 0.196 0.000 1.103 297 A CA -0.222 51.929 52.037 0.189 0.000 0.789 297 A CB -0.091 18.994 19.000 0.140 0.000 1.035 297 A HN 1.204 nan 8.150 nan 0.000 0.491 298 F N 3.075 123.102 119.950 0.129 0.000 2.120 298 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 298 F C 2.474 178.272 175.800 -0.004 0.000 1.095 298 F CA 2.479 60.519 58.000 0.067 0.000 1.249 298 F CB 0.065 39.133 39.000 0.115 0.000 0.995 298 F HN 0.764 nan 8.300 nan 0.000 0.480 299 R N -0.186 120.410 120.500 0.160 0.000 2.241 299 R HA -0.135 4.205 4.340 -0.000 0.000 0.224 299 R C 0.882 177.137 176.300 -0.074 0.000 1.101 299 R CA 1.737 57.865 56.100 0.047 0.000 0.995 299 R CB -0.821 29.551 30.300 0.119 0.000 0.870 299 R HN 0.249 nan 8.270 nan 0.000 0.463 300 D N 0.910 121.266 120.400 -0.074 0.000 2.354 300 D HA 0.132 4.772 4.640 -0.000 0.000 0.209 300 D C 0.463 176.676 176.300 -0.146 0.000 1.015 300 D CA 0.212 54.172 54.000 -0.068 0.000 0.867 300 D CB 0.183 40.989 40.800 0.011 0.000 0.933 300 D HN 0.192 nan 8.370 nan 0.000 0.520 301 L N 3.074 124.128 121.223 -0.282 0.000 2.416 301 L HA 0.209 4.549 4.340 -0.000 0.000 0.272 301 L C -1.803 174.872 176.870 -0.326 0.000 1.161 301 L CA -1.323 53.306 54.840 -0.353 0.000 0.845 301 L CB 0.125 41.841 42.059 -0.571 0.000 1.119 301 L HN -0.149 nan 8.230 nan 0.000 0.464 302 P HA 0.306 nan 4.420 nan 0.000 0.284 302 P C -0.713 176.486 177.300 -0.168 0.000 1.253 302 P CA -0.388 62.572 63.100 -0.234 0.000 0.800 302 P CB 1.386 32.947 31.700 -0.230 0.000 0.961 303 I N 3.546 124.039 120.570 -0.129 0.000 2.325 303 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 303 I C 0.953 177.052 176.117 -0.030 0.000 1.019 303 I CA -0.411 60.868 61.300 -0.035 0.000 1.302 303 I CB 0.551 38.591 38.000 0.067 0.000 1.401 303 I HN 0.142 nan 8.210 nan 0.000 0.485 304 R N 7.395 127.836 120.500 -0.097 0.000 2.360 304 R HA 0.663 5.003 4.340 -0.000 0.000 0.318 304 R C -0.944 175.324 176.300 -0.053 0.000 0.950 304 R CA -0.549 55.408 56.100 -0.238 0.000 0.837 304 R CB 1.853 31.604 30.300 -0.915 0.000 1.165 304 R HN 0.560 nan 8.270 nan 0.000 0.458 305 M N 2.080 121.821 119.600 0.235 0.000 2.602 305 M HA 0.484 4.964 4.480 -0.000 0.000 0.312 305 M C -1.070 175.463 176.300 0.388 0.000 1.181 305 M CA -1.143 54.336 55.300 0.300 0.000 0.910 305 M CB 2.771 35.542 32.600 0.285 0.000 1.723 305 M HN 0.283 nan 8.290 nan 0.000 0.459 306 V N 1.616 121.678 119.914 0.246 0.000 2.656 306 V HA 0.753 4.873 4.120 -0.000 0.000 0.307 306 V C -1.880 174.230 176.094 0.027 0.000 1.051 306 V CA -0.336 62.027 62.300 0.105 0.000 0.893 306 V CB 1.911 33.734 31.823 0.000 0.000 0.999 306 V HN 1.041 nan 8.190 nan 0.000 0.426 307 C N 5.194 124.489 119.300 -0.008 0.000 2.701 307 C HA 0.763 5.223 4.460 -0.000 0.000 0.336 307 C C -0.295 174.670 174.990 -0.042 0.000 1.123 307 C CA -0.211 58.787 59.018 -0.034 0.000 1.326 307 C CB 1.136 28.848 27.740 -0.046 0.000 1.833 307 C HN 1.073 nan 8.230 nan 0.000 0.473 308 S N 3.638 119.310 115.700 -0.047 0.000 2.442 308 S HA 0.859 5.329 4.470 -0.000 0.000 0.297 308 S C -0.247 174.323 174.600 -0.049 0.000 1.131 308 S CA 0.164 58.337 58.200 -0.046 0.000 1.092 308 S CB 0.694 63.869 63.200 -0.043 0.000 0.998 308 S HN 1.680 nan 8.310 nan 0.000 0.478 309 S N 3.087 118.750 115.700 -0.061 0.000 2.596 309 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 309 S C -0.838 173.681 174.600 -0.135 0.000 1.155 309 S CA -0.826 57.328 58.200 -0.076 0.000 0.827 309 S CB 1.217 64.377 63.200 -0.067 0.000 1.130 309 S HN 0.548 nan 8.310 nan 0.000 0.467 310 T N 1.962 116.421 114.554 -0.159 0.000 2.780 310 T HA 0.495 4.845 4.350 -0.000 0.000 0.294 310 T C -0.289 174.098 174.700 -0.522 0.000 0.949 310 T CA -0.217 61.683 62.100 -0.333 0.000 1.074 310 T CB -0.298 68.394 68.868 -0.294 0.000 0.910 310 T HN 0.762 nan 8.240 nan 0.000 0.501 311 C N 3.876 122.697 119.300 -0.797 0.000 2.376 311 C HA 0.633 5.093 4.460 -0.000 0.000 0.335 311 C C -0.663 173.813 174.990 -0.856 0.000 1.229 311 C CA -1.092 57.445 59.018 -0.801 0.000 1.867 311 C CB -0.490 26.567 27.740 -1.138 0.000 2.319 311 C HN 0.843 nan 8.230 nan 0.000 0.515 312 Y N 1.430 121.685 120.300 -0.075 0.000 2.361 312 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 312 Y C 0.457 176.502 175.900 0.241 0.000 0.965 312 Y CA -0.643 57.561 58.100 0.173 0.000 1.091 312 Y CB 1.012 39.620 38.460 0.247 0.000 1.182 312 Y HN 0.486 nan 8.280 nan 0.000 0.450 313 R N 1.300 122.063 120.500 0.439 0.000 2.538 313 R HA 0.585 4.925 4.340 -0.000 0.000 0.292 313 R C 0.181 176.568 176.300 0.145 0.000 1.008 313 R CA -0.720 55.514 56.100 0.224 0.000 0.896 313 R CB 2.015 32.473 30.300 0.263 0.000 1.187 313 R HN 0.863 nan 8.270 nan 0.000 0.440 314 A N 2.078 124.688 122.820 -0.350 0.000 2.015 314 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 314 A C 0.407 178.052 177.584 0.101 0.000 1.163 314 A CA 0.780 52.555 52.037 -0.437 0.000 0.646 314 A CB -0.164 18.438 19.000 -0.664 0.000 0.806 314 A HN 0.829 nan 8.150 nan 0.000 0.448 315 E N -0.161 120.091 120.200 0.086 0.000 2.202 315 E HA -0.231 4.119 4.350 -0.000 0.000 0.214 315 E C 1.068 177.727 176.600 0.097 0.000 1.303 315 E CA 1.059 57.515 56.400 0.092 0.000 0.714 315 E CB -2.423 27.320 29.700 0.072 0.000 1.130 315 E HN 0.924 nan 8.360 nan 0.000 0.356 316 T N -3.734 110.849 114.554 0.048 0.000 2.904 316 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 316 T C 1.408 176.127 174.700 0.032 0.000 1.059 316 T CA 1.057 63.183 62.100 0.043 0.000 1.137 316 T CB 0.158 69.030 68.868 0.007 0.000 0.879 316 T HN 0.089 nan 8.240 nan 0.000 0.467 317 D N 1.551 121.964 120.400 0.021 0.000 2.106 317 D HA -0.061 4.579 4.640 -0.000 0.000 0.191 317 D C 1.148 177.459 176.300 0.018 0.000 0.997 317 D CA 1.655 55.665 54.000 0.017 0.000 0.834 317 D CB 0.098 40.906 40.800 0.014 0.000 0.956 317 D HN 0.529 nan 8.370 nan 0.000 0.448 318 T N -2.900 111.667 114.554 0.021 0.000 2.661 318 T HA 0.543 4.893 4.350 -0.000 0.000 0.305 318 T C -1.062 173.644 174.700 0.010 0.000 1.535 318 T CA -0.099 62.009 62.100 0.014 0.000 1.000 318 T CB 1.198 70.073 68.868 0.012 0.000 1.811 318 T HN 0.170 nan 8.240 nan 0.000 0.471 323 W N 1.673 122.963 121.300 -0.016 0.000 2.666 323 W HA 0.575 5.235 4.660 -0.000 0.000 0.334 323 W C 0.381 176.895 176.519 -0.008 0.000 1.051 323 W CA 0.657 57.995 57.345 -0.012 0.000 1.224 323 W CB 2.115 31.552 29.460 -0.037 0.000 1.405 323 W HN 0.454 nan 8.180 nan 0.000 0.513 324 G N 0.932 109.885 108.800 0.255 0.000 2.570 324 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 324 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 324 G C -0.552 174.469 174.900 0.202 0.000 1.257 324 G CA -1.019 44.226 45.100 0.242 0.000 0.846 324 G HN 0.622 nan 8.290 nan 0.000 0.627 325 L N 0.308 121.691 121.223 0.265 0.000 2.611 325 L HA 0.200 4.540 4.340 -0.000 0.000 0.229 325 L C 2.123 178.878 176.870 -0.191 0.000 1.137 325 L CA -0.027 54.726 54.840 -0.146 0.000 0.901 325 L CB -0.235 41.621 42.059 -0.339 0.000 1.098 325 L HN 0.617 nan 8.230 nan 0.000 0.456 326 Y N 1.518 121.710 120.300 -0.180 0.000 2.181 326 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 326 Y C 1.592 177.368 175.900 -0.206 0.000 1.146 326 Y CA 1.388 59.367 58.100 -0.201 0.000 1.164 326 Y CB 0.268 38.650 38.460 -0.129 0.000 0.982 326 Y HN 0.060 nan 8.280 nan 0.000 0.515 327 R N 0.767 121.219 120.500 -0.080 0.000 2.576 327 R HA 0.438 4.778 4.340 -0.000 0.000 0.283 327 R C -1.710 174.487 176.300 -0.172 0.000 1.493 327 R CA -0.415 55.597 56.100 -0.146 0.000 1.170 327 R CB 0.599 30.881 30.300 -0.029 0.000 1.189 327 R HN 0.029 nan 8.270 nan 0.000 0.542 328 V N -0.267 119.535 119.914 -0.186 0.000 3.096 328 V HA 0.451 4.571 4.120 -0.000 0.000 0.319 328 V C 0.726 176.815 176.094 -0.008 0.000 1.103 328 V CA -0.702 61.520 62.300 -0.129 0.000 1.016 328 V CB 1.858 33.664 31.823 -0.027 0.000 1.090 328 V HN 0.656 nan 8.190 nan 0.000 0.449 329 H N 0.648 119.847 119.070 0.215 0.000 2.535 329 H HA 0.170 4.726 4.556 -0.000 0.000 0.273 329 H C 0.271 175.836 175.328 0.396 0.000 0.983 329 H CA 1.436 57.688 56.048 0.340 0.000 1.238 329 H CB -0.039 29.963 29.762 0.399 0.000 1.412 329 H HN 0.998 nan 8.280 nan 0.000 0.562 330 H N -1.711 117.590 119.070 0.386 0.000 2.894 330 H HA 0.453 5.009 4.556 -0.000 0.000 0.367 330 H C -1.108 174.392 175.328 0.286 0.000 1.144 330 H CA -1.227 54.887 56.048 0.110 0.000 1.180 330 H CB 1.056 30.782 29.762 -0.061 0.000 1.758 330 H HN -0.035 nan 8.280 nan 0.000 0.541 331 F N -1.530 118.412 119.950 -0.014 0.000 2.770 331 F HA 0.597 5.124 4.527 -0.000 0.000 0.313 331 F C -1.676 174.101 175.800 -0.038 0.000 1.154 331 F CA -1.042 56.978 58.000 0.033 0.000 0.923 331 F CB 1.006 40.014 39.000 0.013 0.000 1.301 331 F HN 0.617 nan 8.300 nan 0.000 0.449 332 T N 1.968 116.623 114.554 0.168 0.000 2.837 332 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 332 T C -1.047 173.737 174.700 0.140 0.000 0.984 332 T CA -0.611 61.513 62.100 0.039 0.000 1.049 332 T CB 1.206 70.103 68.868 0.049 0.000 0.947 332 T HN 0.795 nan 8.240 nan 0.000 0.472 333 K N 2.389 122.814 120.400 0.042 0.000 2.513 333 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 333 K C -1.603 175.002 176.600 0.009 0.000 0.939 333 K CA -0.682 55.655 56.287 0.084 0.000 0.793 333 K CB 1.654 34.257 32.500 0.173 0.000 1.241 333 K HN 0.346 nan 8.250 nan 0.000 0.431 334 V N 3.227 123.137 119.914 -0.007 0.000 2.383 334 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 334 V C -0.253 175.815 176.094 -0.043 0.000 1.036 334 V CA -0.456 61.818 62.300 -0.043 0.000 0.889 334 V CB 1.096 32.873 31.823 -0.076 0.000 0.985 334 V HN 0.800 nan 8.190 nan 0.000 0.459 335 E N 4.735 124.916 120.200 -0.032 0.000 2.195 335 E HA 0.598 4.948 4.350 -0.000 0.000 0.271 335 E C -0.836 175.752 176.600 -0.019 0.000 0.923 335 E CA -0.520 55.878 56.400 -0.003 0.000 0.790 335 E CB 1.616 31.346 29.700 0.050 0.000 1.155 335 E HN 0.610 nan 8.360 nan 0.000 0.402 336 M N 3.901 123.466 119.600 -0.058 0.000 2.336 336 M HA 0.447 4.927 4.480 -0.000 0.000 0.342 336 M C -1.282 175.102 176.300 0.139 0.000 1.128 336 M CA -0.760 54.452 55.300 -0.147 0.000 1.016 336 M CB 1.130 33.319 32.600 -0.684 0.000 1.665 336 M HN 0.570 nan 8.290 nan 0.000 0.445 337 F N 1.112 121.152 119.950 0.150 0.000 2.574 337 F HA 0.764 5.291 4.527 -0.000 0.000 0.313 337 F C -0.501 175.536 175.800 0.395 0.000 1.130 337 F CA -0.372 57.807 58.000 0.299 0.000 0.936 337 F CB 1.807 40.937 39.000 0.217 0.000 1.219 337 F HN 0.532 nan 8.300 nan 0.000 0.445 338 G N 3.499 112.251 108.800 -0.079 0.000 2.571 338 G HA2 0.625 4.585 3.960 -0.000 0.000 0.304 338 G HA3 0.625 4.585 3.960 -0.000 0.000 0.304 338 G C -2.320 172.343 174.900 -0.395 0.000 1.314 338 G CA -0.864 44.185 45.100 -0.086 0.000 0.975 338 G HN 0.583 nan 8.290 nan 0.000 0.485 339 V N 0.877 120.622 119.914 -0.282 0.000 2.443 339 V HA 0.743 4.863 4.120 -0.000 0.000 0.293 339 V C 0.119 176.062 176.094 -0.252 0.000 1.021 339 V CA -0.429 61.680 62.300 -0.319 0.000 0.848 339 V CB 1.293 32.822 31.823 -0.490 0.000 0.998 339 V HN 0.952 nan 8.190 nan 0.000 0.424 340 T N 2.858 117.269 114.554 -0.238 0.000 2.716 340 T HA 0.710 5.060 4.350 -0.000 0.000 0.286 340 T C 0.689 175.136 174.700 -0.423 0.000 1.052 340 T CA 0.363 62.279 62.100 -0.307 0.000 1.024 340 T CB 1.559 70.259 68.868 -0.281 0.000 1.349 340 T HN 1.204 nan 8.240 nan 0.000 0.525 341 G N 1.851 110.348 108.800 -0.505 0.000 4.408 341 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.679 341 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.679 341 G C -1.119 173.399 174.900 -0.637 0.000 1.367 341 G CA 0.258 45.002 45.100 -0.593 0.000 0.994 341 G HN 0.622 nan 8.290 nan 0.000 0.681 342 P HA 0.037 nan 4.420 nan 0.000 0.217 342 P C 1.009 178.206 177.300 -0.170 0.000 1.150 342 P CA 2.069 65.136 63.100 -0.056 0.000 0.832 342 P CB 0.186 31.976 31.700 0.150 0.000 0.787 343 G N -1.549 107.082 108.800 -0.283 0.000 2.911 343 G HA2 0.375 4.335 3.960 -0.000 0.000 0.299 343 G HA3 0.375 4.335 3.960 -0.000 0.000 0.299 343 G C 0.553 175.315 174.900 -0.229 0.000 1.283 343 G CA -0.592 44.322 45.100 -0.311 0.000 0.805 343 G HN -0.006 nan 8.290 nan 0.000 0.548 344 L N -0.084 121.152 121.223 0.022 0.000 2.081 344 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 344 L C 2.750 179.649 176.870 0.047 0.000 1.080 344 L CA 2.103 56.994 54.840 0.084 0.000 0.754 344 L CB -0.142 41.937 42.059 0.034 0.000 0.893 344 L HN 0.824 nan 8.230 nan 0.000 0.433 345 E N -0.203 120.003 120.200 0.010 0.000 2.085 345 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 345 E C 2.162 178.749 176.600 -0.021 0.000 0.994 345 E CA 1.419 57.824 56.400 0.008 0.000 0.801 345 E CB 0.146 29.844 29.700 -0.002 0.000 0.743 345 E HN 0.452 nan 8.360 nan 0.000 0.453 346 Q N 0.052 119.810 119.800 -0.070 0.000 2.049 346 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 346 Q C 2.355 178.291 176.000 -0.108 0.000 0.971 346 Q CA 1.888 57.621 55.803 -0.117 0.000 0.833 346 Q CB -0.182 28.438 28.738 -0.197 0.000 0.896 346 Q HN 0.355 nan 8.270 nan 0.000 0.434 347 S N -0.768 114.901 115.700 -0.052 0.000 2.402 347 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 347 S C 2.075 176.662 174.600 -0.021 0.000 1.021 347 S CA 1.126 59.312 58.200 -0.023 0.000 0.974 347 S CB -0.379 62.917 63.200 0.161 0.000 0.800 347 S HN 0.159 nan 8.310 nan 0.000 0.484 348 S N 2.543 118.268 115.700 0.042 0.000 2.368 348 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 348 S C 2.102 176.725 174.600 0.039 0.000 1.029 348 S CA 1.386 59.639 58.200 0.087 0.000 0.988 348 S CB -0.408 62.883 63.200 0.151 0.000 0.838 348 S HN 0.919 nan 8.310 nan 0.000 0.462 349 E N 0.912 121.108 120.200 -0.006 0.000 2.150 349 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 349 E C 2.043 178.594 176.600 -0.081 0.000 0.985 349 E CA 0.802 57.186 56.400 -0.027 0.000 0.814 349 E CB -0.370 29.308 29.700 -0.036 0.000 0.752 349 E HN 0.340 nan 8.360 nan 0.000 0.466 350 L N 0.967 122.089 121.223 -0.168 0.000 2.093 350 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 350 L C 2.309 178.914 176.870 -0.441 0.000 1.085 350 L CA 1.167 55.797 54.840 -0.351 0.000 0.755 350 L CB -0.516 41.257 42.059 -0.477 0.000 0.904 350 L HN 0.270 nan 8.230 nan 0.000 0.435 351 L N -0.235 120.839 121.223 -0.248 0.000 2.046 351 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 351 L C 2.455 179.381 176.870 0.094 0.000 1.077 351 L CA 2.153 56.949 54.840 -0.072 0.000 0.747 351 L CB -0.867 41.231 42.059 0.066 0.000 0.896 351 L HN 0.469 nan 8.230 nan 0.000 0.432 352 E N 0.022 120.267 120.200 0.074 0.000 2.077 352 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 352 E C 2.138 178.780 176.600 0.070 0.000 0.989 352 E CA 1.847 58.281 56.400 0.058 0.000 0.800 352 E CB -0.370 29.346 29.700 0.028 0.000 0.746 352 E HN 0.677 nan 8.360 nan 0.000 0.452 353 E N -0.681 119.560 120.200 0.068 0.000 2.051 353 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 353 E C 2.051 178.854 176.600 0.339 0.000 0.991 353 E CA 1.229 57.723 56.400 0.156 0.000 0.799 353 E CB -0.376 29.403 29.700 0.132 0.000 0.748 353 E HN 0.460 nan 8.360 nan 0.000 0.449 354 F N 0.229 120.247 119.950 0.114 0.000 2.134 354 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 354 F C 2.497 178.341 175.800 0.073 0.000 1.097 354 F CA 0.118 58.192 58.000 0.123 0.000 1.264 354 F CB -0.111 38.966 39.000 0.128 0.000 1.001 354 F HN 0.202 nan 8.300 nan 0.000 0.479 355 L N 0.912 122.296 121.223 0.268 0.000 2.017 355 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 355 L C 2.653 179.569 176.870 0.077 0.000 1.073 355 L CA 2.222 57.140 54.840 0.131 0.000 0.745 355 L CB -1.031 41.041 42.059 0.021 0.000 0.894 355 L HN 0.121 nan 8.230 nan 0.000 0.432 356 S N -0.994 114.755 115.700 0.082 0.000 2.382 356 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 356 S C 2.066 176.711 174.600 0.074 0.000 1.027 356 S CA 1.591 59.834 58.200 0.072 0.000 0.991 356 S CB -1.056 62.185 63.200 0.069 0.000 0.823 356 S HN 0.515 nan 8.310 nan 0.000 0.469 357 L N 1.034 122.307 121.223 0.084 0.000 2.093 357 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 357 L C 3.116 179.974 176.870 -0.019 0.000 1.085 357 L CA 1.445 56.301 54.840 0.026 0.000 0.755 357 L CB -0.582 41.474 42.059 -0.005 0.000 0.904 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 Q N -0.598 119.190 119.800 -0.020 0.000 2.084 358 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 358 Q C 2.287 178.215 176.000 -0.120 0.000 0.978 358 Q CA 1.524 57.284 55.803 -0.072 0.000 0.844 358 Q CB -0.173 28.531 28.738 -0.056 0.000 0.898 358 Q HN 0.533 nan 8.270 nan 0.000 0.426 359 M N 0.260 119.829 119.600 -0.053 0.000 2.132 359 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 359 M C 1.851 178.198 176.300 0.078 0.000 1.065 359 M CA 1.421 56.717 55.300 -0.006 0.000 1.122 359 M CB -0.161 32.560 32.600 0.202 0.000 1.365 359 M HN 0.179 nan 8.290 nan 0.000 0.411 360 E N 0.689 120.937 120.200 0.079 0.000 2.051 360 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 360 E C 1.927 178.597 176.600 0.117 0.000 0.991 360 E CA 1.261 57.724 56.400 0.106 0.000 0.799 360 E CB -0.179 29.566 29.700 0.075 0.000 0.748 360 E HN 0.495 nan 8.360 nan 0.000 0.449 361 I N 0.978 121.592 120.570 0.073 0.000 2.127 361 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 361 I C 2.352 178.529 176.117 0.100 0.000 1.075 361 I CA 1.166 62.561 61.300 0.157 0.000 1.334 361 I CB -0.252 37.796 38.000 0.080 0.000 1.040 361 I HN 0.121 nan 8.210 nan 0.000 0.405 362 L N -0.182 121.004 121.223 -0.061 0.000 2.131 362 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 362 L C 2.559 179.505 176.870 0.128 0.000 1.092 362 L CA 1.370 56.137 54.840 -0.121 0.000 0.759 362 L CB -0.947 40.729 42.059 -0.639 0.000 0.903 362 L HN 0.279 nan 8.230 nan 0.000 0.435 363 T N -0.837 113.860 114.554 0.239 0.000 2.812 363 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 363 T C 1.692 176.511 174.700 0.198 0.000 1.042 363 T CA 1.117 63.416 62.100 0.331 0.000 1.140 363 T CB -0.116 68.940 68.868 0.314 0.000 0.870 363 T HN 0.395 nan 8.240 nan 0.000 0.445 364 E N 0.818 121.115 120.200 0.162 0.000 2.268 364 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 364 E C 1.702 178.303 176.600 0.003 0.000 0.995 364 E CA 0.583 57.054 56.400 0.119 0.000 0.836 364 E CB -0.182 29.660 29.700 0.237 0.000 0.763 364 E HN 0.440 nan 8.360 nan 0.000 0.491 365 L N -0.249 120.967 121.223 -0.011 0.000 2.591 365 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 365 L C 1.219 178.156 176.870 0.110 0.000 1.133 365 L CA 0.239 55.040 54.840 -0.066 0.000 0.880 365 L CB -0.045 41.966 42.059 -0.080 0.000 1.033 365 L HN 0.221 nan 8.230 nan 0.000 0.450 366 G N 0.908 109.812 108.800 0.172 0.000 2.176 366 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 366 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 366 G C 0.060 175.121 174.900 0.268 0.000 1.024 366 G CA -0.023 45.228 45.100 0.251 0.000 0.755 366 G HN 0.244 nan 8.290 nan 0.000 0.507 367 L N -0.508 120.887 121.223 0.286 0.000 2.360 367 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 367 L C 0.696 177.816 176.870 0.418 0.000 1.057 367 L CA -1.348 53.680 54.840 0.314 0.000 0.803 367 L CB 1.233 43.465 42.059 0.287 0.000 1.207 367 L HN 0.300 nan 8.230 nan 0.000 0.445 368 H N 2.217 121.439 119.070 0.253 0.000 2.517 368 H HA 0.540 5.096 4.556 -0.000 0.000 0.317 368 H C -1.074 174.486 175.328 0.387 0.000 1.080 368 H CA -0.729 55.424 56.048 0.175 0.000 1.301 368 H CB 0.592 30.406 29.762 0.088 0.000 1.425 368 H HN 0.333 nan 8.280 nan 0.000 0.471 369 F N 2.260 122.171 119.950 -0.064 0.000 2.685 369 F HA 0.645 5.172 4.527 -0.000 0.000 0.315 369 F C -1.509 174.211 175.800 -0.133 0.000 1.126 369 F CA -1.384 56.618 58.000 0.005 0.000 0.950 369 F CB 1.309 40.344 39.000 0.059 0.000 1.360 369 F HN 0.579 nan 8.300 nan 0.000 0.469 370 R N 0.928 121.484 120.500 0.093 0.000 2.673 370 R HA 0.821 5.161 4.340 -0.000 0.000 0.281 370 R C -2.268 174.078 176.300 0.078 0.000 0.991 370 R CA -1.034 54.995 56.100 -0.118 0.000 0.896 370 R CB 1.973 32.011 30.300 -0.436 0.000 1.201 370 R HN 0.592 nan 8.270 nan 0.000 0.457 371 V N 4.271 124.231 119.914 0.077 0.000 2.439 371 V HA 0.405 4.525 4.120 -0.000 0.000 0.282 371 V C 0.012 176.136 176.094 0.050 0.000 1.039 371 V CA -0.645 61.717 62.300 0.103 0.000 0.913 371 V CB 1.240 33.130 31.823 0.111 0.000 0.983 371 V HN 0.570 nan 8.190 nan 0.000 0.460 372 L N 3.333 124.605 121.223 0.083 0.000 2.362 372 L HA 0.582 4.922 4.340 -0.000 0.000 0.271 372 L C -0.723 176.256 176.870 0.181 0.000 1.002 372 L CA -0.650 54.240 54.840 0.083 0.000 0.818 372 L CB 2.163 44.250 42.059 0.047 0.000 1.298 372 L HN 0.497 nan 8.230 nan 0.000 0.420 373 D N 3.717 124.213 120.400 0.159 0.000 2.396 373 D HA 0.288 4.928 4.640 -0.000 0.000 0.225 373 D C -0.223 176.099 176.300 0.036 0.000 1.121 373 D CA -0.447 53.667 54.000 0.190 0.000 0.853 373 D CB 0.810 41.709 40.800 0.165 0.000 1.043 373 D HN 0.157 nan 8.370 nan 0.000 0.500 374 M N 5.098 124.687 119.600 -0.018 0.000 2.239 374 M HA 0.226 4.706 4.480 -0.000 0.000 0.348 374 M C -1.982 174.275 176.300 -0.071 0.000 1.239 374 M CA -2.354 52.919 55.300 -0.044 0.000 1.114 374 M CB 0.090 32.657 32.600 -0.056 0.000 1.641 374 M HN 0.256 nan 8.290 nan 0.000 0.453 375 P HA 0.110 nan 4.420 nan 0.000 0.274 375 P C 0.636 177.899 177.300 -0.062 0.000 1.256 375 P CA -0.010 63.060 63.100 -0.051 0.000 0.795 375 P CB 0.063 31.744 31.700 -0.032 0.000 1.038 376 T N -1.424 113.095 114.554 -0.058 0.000 2.699 376 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 376 T C 1.617 176.286 174.700 -0.051 0.000 1.036 376 T CA 1.576 63.640 62.100 -0.060 0.000 1.147 376 T CB -1.137 67.703 68.868 -0.047 0.000 0.862 376 T HN 0.465 nan 8.240 nan 0.000 0.446 377 Q N 0.482 120.259 119.800 -0.038 0.000 2.482 377 Q HA 0.074 4.414 4.340 -0.000 0.000 0.209 377 Q C 1.230 177.211 176.000 -0.033 0.000 0.961 377 Q CA 0.543 56.328 55.803 -0.031 0.000 0.945 377 Q CB 0.202 28.928 28.738 -0.021 0.000 1.012 377 Q HN 0.574 nan 8.270 nan 0.000 0.515 378 E N 0.018 120.194 120.200 -0.041 0.000 2.624 378 E HA 0.118 4.468 4.350 -0.000 0.000 0.210 378 E C 0.996 177.562 176.600 -0.056 0.000 0.997 378 E CA 0.023 56.400 56.400 -0.039 0.000 0.999 378 E CB 0.634 30.317 29.700 -0.029 0.000 1.040 378 E HN 0.347 nan 8.360 nan 0.000 0.469 379 L N -0.451 120.728 121.223 -0.073 0.000 2.446 379 L HA 0.152 4.492 4.340 -0.000 0.000 0.219 379 L C 1.323 178.132 176.870 -0.102 0.000 1.116 379 L CA 0.568 55.349 54.840 -0.097 0.000 0.844 379 L CB -0.240 41.749 42.059 -0.116 0.000 0.970 379 L HN 0.213 nan 8.230 nan 0.000 0.457 380 G N 0.293 109.043 108.800 -0.084 0.000 2.525 380 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 380 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 380 G C 0.318 175.138 174.900 -0.134 0.000 1.238 380 G CA 0.112 45.159 45.100 -0.088 0.000 0.926 380 G HN 0.070 nan 8.290 nan 0.000 0.574 381 L N 1.664 122.770 121.223 -0.195 0.000 2.349 381 L HA 0.157 4.497 4.340 -0.000 0.000 0.200 381 L C 0.101 176.508 176.870 -0.771 0.000 1.064 381 L CA 0.900 55.552 54.840 -0.313 0.000 0.821 381 L CB -0.353 41.598 42.059 -0.179 0.000 1.027 381 L HN 0.520 nan 8.230 nan 0.000 0.476 382 P HA -0.021 nan 4.420 nan 0.000 0.227 382 P C 0.356 177.364 177.300 -0.487 0.000 1.161 382 P CA 0.772 63.185 63.100 -1.145 0.000 0.788 382 P CB 0.197 31.533 31.700 -0.606 0.000 0.822 383 A N -0.378 122.269 122.820 -0.288 0.000 2.363 383 A HA 0.158 4.478 4.320 -0.000 0.000 0.270 383 A C 0.586 178.128 177.584 -0.069 0.000 1.121 383 A CA -0.370 51.580 52.037 -0.145 0.000 0.800 383 A CB -0.188 18.733 19.000 -0.132 0.000 1.052 383 A HN 0.099 nan 8.150 nan 0.000 0.493 384 Y N 2.073 122.283 120.300 -0.150 0.000 2.441 384 Y HA 0.365 4.915 4.550 -0.000 0.000 0.288 384 Y C 0.772 176.614 175.900 -0.096 0.000 1.118 384 Y CA 0.945 58.986 58.100 -0.099 0.000 1.215 384 Y CB 0.287 38.699 38.460 -0.079 0.000 1.118 384 Y HN 0.644 nan 8.280 nan 0.000 0.547 385 R N 1.134 121.537 120.500 -0.162 0.000 2.626 385 R HA 0.400 4.740 4.340 -0.000 0.000 0.274 385 R C -2.152 173.891 176.300 -0.428 0.000 1.031 385 R CA -0.804 55.058 56.100 -0.397 0.000 0.898 385 R CB 1.409 31.440 30.300 -0.449 0.000 1.222 385 R HN 0.067 nan 8.270 nan 0.000 0.455 386 K N 4.027 124.096 120.400 -0.553 0.000 2.565 386 K HA 0.429 4.749 4.320 -0.000 0.000 0.249 386 K C -1.652 174.688 176.600 -0.433 0.000 0.958 386 K CA -0.425 55.619 56.287 -0.404 0.000 0.806 386 K CB 0.952 33.335 32.500 -0.195 0.000 1.194 386 K HN 0.466 nan 8.250 nan 0.000 0.434 387 F N 2.509 122.449 119.950 -0.017 0.000 2.444 387 F HA 0.369 4.896 4.527 -0.000 0.000 0.342 387 F C 0.036 175.840 175.800 0.007 0.000 1.121 387 F CA -0.825 57.170 58.000 -0.008 0.000 0.997 387 F CB 1.687 40.690 39.000 0.004 0.000 1.130 387 F HN 0.385 nan 8.300 nan 0.000 0.454 388 D N 3.110 123.625 120.400 0.193 0.000 2.340 388 D HA 0.598 5.238 4.640 -0.000 0.000 0.240 388 D C -0.553 175.810 176.300 0.104 0.000 1.001 388 D CA -0.249 53.818 54.000 0.112 0.000 0.888 388 D CB 2.514 43.355 40.800 0.069 0.000 1.310 388 D HN 0.276 nan 8.370 nan 0.000 0.474 389 I N 1.054 121.667 120.570 0.071 0.000 2.436 389 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 389 I C -0.147 176.023 176.117 0.088 0.000 1.010 389 I CA -0.648 60.696 61.300 0.074 0.000 1.098 389 I CB 1.758 39.749 38.000 -0.016 0.000 1.266 389 I HN 0.048 nan 8.210 nan 0.000 0.434 390 E N 4.787 125.078 120.200 0.152 0.000 2.171 390 E HA 0.665 5.015 4.350 -0.000 0.000 0.271 390 E C -0.805 176.028 176.600 0.389 0.000 0.916 390 E CA -0.759 55.778 56.400 0.228 0.000 0.774 390 E CB 2.416 32.255 29.700 0.231 0.000 1.128 390 E HN 0.669 nan 8.360 nan 0.000 0.403 391 A N 3.494 126.510 122.820 0.327 0.000 2.312 391 A HA 0.245 4.565 4.320 -0.000 0.000 0.326 391 A C -0.855 176.883 177.584 0.256 0.000 1.172 391 A CA -0.665 51.572 52.037 0.333 0.000 0.821 391 A CB 0.637 19.743 19.000 0.176 0.000 1.166 391 A HN 0.804 nan 8.150 nan 0.000 0.493 392 W N 3.705 124.931 121.300 -0.123 0.000 2.251 392 W HA 0.422 5.082 4.660 -0.000 0.000 0.327 392 W C -1.271 175.126 176.519 -0.205 0.000 1.361 392 W CA -0.060 56.976 57.345 -0.516 0.000 1.234 392 W CB 0.504 29.676 29.460 -0.480 0.000 1.212 392 W HN 0.543 nan 8.180 nan 0.000 0.557 393 M N 9.428 128.453 119.600 -0.957 0.000 1.998 393 M HA 0.148 4.628 4.480 -0.000 0.000 0.289 393 M C -1.792 173.821 176.300 -1.145 0.000 0.886 393 M CA -1.738 53.104 55.300 -0.762 0.000 0.853 393 M CB 1.516 33.863 32.600 -0.421 0.000 1.462 393 M HN 0.112 nan 8.290 nan 0.000 0.375 394 P HA -0.208 nan 4.420 nan 0.000 0.217 394 P C 1.452 178.437 177.300 -0.525 0.000 1.158 394 P CA 1.848 64.514 63.100 -0.723 0.000 0.887 394 P CB 0.164 31.698 31.700 -0.277 0.000 0.792 395 G N -0.825 107.729 108.800 -0.411 0.000 2.408 395 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 395 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 395 G C 1.721 176.467 174.900 -0.258 0.000 1.150 395 G CA 0.492 45.420 45.100 -0.287 0.000 0.776 395 G HN 0.223 nan 8.290 nan 0.000 0.542 396 R N 0.168 120.485 120.500 -0.305 0.000 2.148 396 R HA 0.110 4.450 4.340 -0.000 0.000 0.223 396 R C 1.737 177.850 176.300 -0.312 0.000 1.088 396 R CA 0.991 56.926 56.100 -0.276 0.000 0.985 396 R CB -0.315 29.803 30.300 -0.303 0.000 0.880 396 R HN 0.414 nan 8.270 nan 0.000 0.451 397 G N 1.184 109.700 108.800 -0.473 0.000 2.160 397 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 397 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 397 G C -0.417 174.307 174.900 -0.294 0.000 1.022 397 G CA 0.575 45.451 45.100 -0.374 0.000 0.741 397 G HN 0.585 nan 8.290 nan 0.000 0.508 398 R N -2.386 117.765 120.500 -0.582 0.000 2.774 398 R HA 0.586 4.926 4.340 -0.000 0.000 0.279 398 R C -1.077 175.146 176.300 -0.128 0.000 1.022 398 R CA -1.281 54.776 56.100 -0.072 0.000 0.855 398 R CB 0.406 30.725 30.300 0.031 0.000 1.279 398 R HN 0.130 nan 8.270 nan 0.000 0.485 399 F N 0.300 120.396 119.950 0.243 0.000 2.429 399 F HA 0.575 5.103 4.527 0.000 0.000 0.348 399 F C 1.153 177.009 175.800 0.094 0.000 1.109 399 F CA 0.968 59.094 58.000 0.210 0.000 1.232 399 F CB 1.735 40.861 39.000 0.209 0.000 1.157 399 F HN 0.699 nan 8.300 nan 0.000 0.564 400 G N 2.044 111.011 108.800 0.277 0.000 2.617 400 G HA2 0.312 4.272 3.960 -0.000 0.000 0.306 400 G HA3 0.312 4.272 3.960 -0.000 0.000 0.306 400 G C -1.477 173.561 174.900 0.231 0.000 1.360 400 G CA -0.727 44.546 45.100 0.287 0.000 0.983 400 G HN 0.598 nan 8.290 nan 0.000 0.496 401 E N 0.794 121.107 120.200 0.189 0.000 2.493 401 E HA 0.102 4.452 4.350 -0.000 0.000 0.255 401 E C 1.088 177.670 176.600 -0.030 0.000 0.999 401 E CA -0.062 56.381 56.400 0.071 0.000 0.934 401 E CB 0.850 30.574 29.700 0.040 0.000 0.940 401 E HN 0.385 nan 8.360 nan 0.000 0.473 402 V N 0.747 120.646 119.914 -0.026 0.000 3.635 402 V HA 0.204 4.324 4.120 -0.000 0.000 0.266 402 V C 0.539 176.585 176.094 -0.080 0.000 1.316 402 V CA 0.643 62.893 62.300 -0.084 0.000 1.060 402 V CB 0.246 32.029 31.823 -0.066 0.000 0.820 402 V HN 0.675 nan 8.190 nan 0.000 0.447 403 T N -0.918 113.609 114.554 -0.045 0.000 2.843 403 T HA 0.745 5.095 4.350 -0.000 0.000 0.302 403 T C -0.577 174.130 174.700 0.013 0.000 1.232 403 T CA 0.222 62.307 62.100 -0.025 0.000 1.009 403 T CB 2.102 70.950 68.868 -0.035 0.000 1.254 403 T HN 1.090 nan 8.240 nan 0.000 0.504 404 S N 0.019 115.740 115.700 0.035 0.000 2.564 404 S HA 0.899 5.369 4.470 -0.000 0.000 0.274 404 S C -1.018 173.637 174.600 0.092 0.000 1.124 404 S CA -0.681 57.555 58.200 0.060 0.000 0.869 404 S CB 1.616 64.841 63.200 0.041 0.000 1.105 404 S HN 1.903 nan 8.310 nan 0.000 0.472 405 A N 1.407 124.298 122.820 0.117 0.000 2.408 405 A HA 0.820 5.140 4.320 -0.000 0.000 0.295 405 A C -0.654 176.981 177.584 0.084 0.000 1.040 405 A CA -0.658 51.476 52.037 0.161 0.000 0.707 405 A CB 1.511 20.666 19.000 0.259 0.000 1.235 405 A HN 0.933 nan 8.150 nan 0.000 0.418 406 S N 1.491 117.229 115.700 0.063 0.000 2.538 406 S HA 0.523 4.993 4.470 -0.000 0.000 0.288 406 S C -0.689 173.897 174.600 -0.024 0.000 1.108 406 S CA -0.712 57.475 58.200 -0.021 0.000 0.971 406 S CB 1.567 64.751 63.200 -0.027 0.000 1.041 406 S HN 0.740 nan 8.310 nan 0.000 0.483 407 N N 0.933 119.602 118.700 -0.051 0.000 2.426 407 N HA 0.246 4.986 4.740 -0.000 0.000 0.257 407 N C -0.219 175.274 175.510 -0.029 0.000 1.002 407 N CA -0.630 52.400 53.050 -0.034 0.000 0.942 407 N CB 0.531 39.035 38.487 0.028 0.000 1.112 407 N HN 0.589 nan 8.380 nan 0.000 0.499 408 C N 2.198 121.458 119.300 -0.067 0.000 2.754 408 C HA 0.132 4.592 4.460 -0.000 0.000 0.276 408 C C 1.547 176.465 174.990 -0.120 0.000 1.264 408 C CA 0.453 59.435 59.018 -0.060 0.000 1.700 408 C CB -2.072 25.659 27.740 -0.014 0.000 1.885 408 C HN 0.952 nan 8.230 nan 0.000 0.607 409 T N 1.372 115.759 114.554 -0.277 0.000 10.685 409 T HA -0.374 3.976 4.350 -0.000 0.000 0.323 409 T C 0.368 174.715 174.700 -0.589 0.000 1.535 409 T CA 2.172 63.815 62.100 -0.762 0.000 1.843 409 T CB -1.043 67.336 68.868 -0.814 0.000 2.180 409 T HN 0.514 nan 8.240 nan 0.000 0.409 410 D N 0.922 121.049 120.400 -0.455 0.000 2.463 410 D HA 0.317 4.957 4.640 -0.000 0.000 0.224 410 D C 1.114 177.357 176.300 -0.095 0.000 1.174 410 D CA -0.245 53.674 54.000 -0.134 0.000 0.829 410 D CB -0.491 40.294 40.800 -0.025 0.000 0.993 410 D HN 0.538 nan 8.370 nan 0.000 0.497 411 F N 1.469 121.317 119.950 -0.170 0.000 2.113 411 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 411 F C 2.107 177.854 175.800 -0.089 0.000 1.103 411 F CA 1.604 59.530 58.000 -0.124 0.000 1.248 411 F CB 0.175 39.125 39.000 -0.083 0.000 0.999 411 F HN -0.094 nan 8.300 nan 0.000 0.475 412 Q N -0.236 119.693 119.800 0.214 0.000 2.096 412 Q HA -0.122 4.218 4.340 -0.000 0.000 0.197 412 Q C 2.435 178.456 176.000 0.036 0.000 0.964 412 Q CA 1.666 57.557 55.803 0.148 0.000 0.838 412 Q CB -0.406 28.471 28.738 0.233 0.000 0.906 412 Q HN 0.527 nan 8.270 nan 0.000 0.444 413 S N 1.005 116.738 115.700 0.054 0.000 2.399 413 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 413 S C 1.868 176.445 174.600 -0.039 0.000 1.022 413 S CA 0.810 59.077 58.200 0.112 0.000 0.983 413 S CB -0.207 63.133 63.200 0.233 0.000 0.803 413 S HN 0.250 nan 8.310 nan 0.000 0.480 414 R N 0.656 120.930 120.500 -0.376 0.000 2.189 414 R HA 0.210 4.550 4.340 -0.000 0.000 0.218 414 R C 2.570 178.542 176.300 -0.548 0.000 1.074 414 R CA 0.861 56.488 56.100 -0.788 0.000 0.991 414 R CB -0.078 29.720 30.300 -0.836 0.000 0.883 414 R HN 0.459 nan 8.270 nan 0.000 0.457 415 R N -0.323 119.954 120.500 -0.373 0.000 2.156 415 R HA 0.133 4.473 4.340 -0.000 0.000 0.207 415 R C 1.355 177.573 176.300 -0.137 0.000 1.040 415 R CA 0.633 56.574 56.100 -0.265 0.000 1.013 415 R CB 0.330 30.487 30.300 -0.239 0.000 0.931 415 R HN 0.119 nan 8.270 nan 0.000 0.465 416 L N -0.183 121.010 121.223 -0.049 0.000 2.857 416 L HA 0.242 4.582 4.340 -0.000 0.000 0.249 416 L C -0.625 176.415 176.870 0.284 0.000 1.172 416 L CA -0.271 54.654 54.840 0.143 0.000 0.980 416 L CB 0.006 42.151 42.059 0.144 0.000 1.299 416 L HN 0.260 nan 8.230 nan 0.000 0.535 417 H N -0.321 118.882 119.070 0.221 0.000 2.592 417 H HA -0.153 4.403 4.556 -0.000 0.000 0.323 417 H C -0.082 175.399 175.328 0.255 0.000 1.117 417 H CA 0.409 56.635 56.048 0.297 0.000 1.120 417 H CB -1.909 27.973 29.762 0.200 0.000 1.561 417 H HN 0.283 nan 8.280 nan 0.000 0.409 418 I N 1.945 122.722 120.570 0.346 0.000 2.281 418 I HA 0.113 4.283 4.170 -0.000 0.000 0.293 418 I C 0.435 176.726 176.117 0.290 0.000 1.085 418 I CA -0.219 61.272 61.300 0.319 0.000 1.257 418 I CB 0.146 38.323 38.000 0.295 0.000 1.430 418 I HN 0.217 nan 8.210 nan 0.000 0.489 419 M N 6.405 126.132 119.600 0.212 0.000 2.753 419 M HA 0.597 5.077 4.480 -0.000 0.000 0.299 419 M C -0.463 175.956 176.300 0.199 0.000 1.219 419 M CA -0.765 54.592 55.300 0.095 0.000 0.900 419 M CB 1.461 34.010 32.600 -0.085 0.000 1.628 419 M HN 0.357 nan 8.290 nan 0.000 0.502 420 F N -0.688 119.285 119.950 0.039 0.000 2.601 420 F HA 0.674 5.201 4.527 -0.000 0.000 0.309 420 F C -0.949 174.885 175.800 0.057 0.000 1.089 420 F CA -0.991 57.048 58.000 0.065 0.000 0.940 420 F CB 1.550 40.589 39.000 0.065 0.000 1.273 420 F HN 0.635 nan 8.300 nan 0.000 0.450 421 Q N 2.880 122.813 119.800 0.221 0.000 2.314 421 Q HA 0.415 4.755 4.340 -0.000 0.000 0.259 421 Q C -0.004 176.144 176.000 0.246 0.000 0.951 421 Q CA -0.667 55.184 55.803 0.078 0.000 0.909 421 Q CB 1.494 30.279 28.738 0.079 0.000 1.236 421 Q HN 0.977 nan 8.270 nan 0.000 0.444 422 T N 0.362 114.961 114.554 0.074 0.000 2.667 422 T HA 0.048 4.398 4.350 -0.000 0.000 0.305 422 T C 0.944 175.613 174.700 -0.051 0.000 1.022 422 T CA -0.245 61.905 62.100 0.084 0.000 0.995 422 T CB 0.623 69.473 68.868 -0.029 0.000 1.026 422 T HN 0.668 nan 8.240 nan 0.000 0.527 423 E N 0.614 120.672 120.200 -0.237 0.000 2.031 423 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 423 E C 2.423 178.964 176.600 -0.099 0.000 0.994 423 E CA 1.797 58.077 56.400 -0.199 0.000 0.800 423 E CB -1.007 28.526 29.700 -0.278 0.000 0.752 423 E HN 0.787 nan 8.360 nan 0.000 0.447 424 A N -0.767 121.994 122.820 -0.098 0.000 2.076 424 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 424 A C 1.777 179.330 177.584 -0.051 0.000 1.160 424 A CA 1.651 53.648 52.037 -0.066 0.000 0.653 424 A CB -0.618 18.343 19.000 -0.065 0.000 0.801 424 A HN 0.467 nan 8.150 nan 0.000 0.455 425 G N -0.694 108.076 108.800 -0.050 0.000 2.135 425 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.183 425 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.183 425 G C -0.219 174.645 174.900 -0.060 0.000 1.004 425 G CA 0.191 45.268 45.100 -0.039 0.000 0.677 425 G HN 1.026 nan 8.290 nan 0.000 0.512 426 E N 0.206 120.353 120.200 -0.087 0.000 2.222 426 E HA 0.736 5.086 4.350 -0.000 0.000 0.272 426 E C -0.038 176.443 176.600 -0.197 0.000 0.982 426 E CA -1.177 55.150 56.400 -0.122 0.000 0.842 426 E CB 1.625 31.256 29.700 -0.116 0.000 1.144 426 E HN 0.235 nan 8.360 nan 0.000 0.397 427 L N 1.882 122.969 121.223 -0.227 0.000 2.292 427 L HA 0.325 4.665 4.340 -0.000 0.000 0.284 427 L C 0.148 176.733 176.870 -0.474 0.000 1.065 427 L CA -0.315 54.325 54.840 -0.333 0.000 0.806 427 L CB 0.994 42.897 42.059 -0.261 0.000 1.175 427 L HN 0.577 nan 8.230 nan 0.000 0.431 428 Q N 1.782 121.146 119.800 -0.726 0.000 2.456 428 Q HA 0.468 4.808 4.340 -0.000 0.000 0.283 428 Q C -1.419 174.220 176.000 -0.602 0.000 1.084 428 Q CA -0.899 54.481 55.803 -0.705 0.000 0.801 428 Q CB 2.895 31.197 28.738 -0.728 0.000 1.434 428 Q HN 0.293 nan 8.270 nan 0.000 0.419 429 F N 1.258 121.165 119.950 -0.073 0.000 2.504 429 F HA 0.322 4.849 4.527 -0.000 0.000 0.369 429 F C 0.814 176.792 175.800 0.297 0.000 1.082 429 F CA -0.130 57.923 58.000 0.089 0.000 1.216 429 F CB 0.458 39.509 39.000 0.085 0.000 1.108 429 F HN 0.525 nan 8.300 nan 0.000 0.554 430 A N 4.090 127.228 122.820 0.530 0.000 2.249 430 A HA 0.415 4.735 4.320 -0.000 0.000 0.281 430 A C -0.473 177.350 177.584 0.398 0.000 1.127 430 A CA -0.404 51.920 52.037 0.478 0.000 0.833 430 A CB 0.307 19.502 19.000 0.324 0.000 1.140 430 A HN 0.848 nan 8.150 nan 0.000 0.502 431 H N -0.937 118.152 119.070 0.032 0.000 2.529 431 H HA 0.524 5.080 4.556 -0.000 0.000 0.348 431 H C -0.321 174.933 175.328 -0.123 0.000 1.152 431 H CA -0.240 55.785 56.048 -0.038 0.000 1.202 431 H CB 1.783 31.495 29.762 -0.082 0.000 1.562 431 H HN 0.791 nan 8.280 nan 0.000 0.515 432 T N -0.009 114.519 114.554 -0.043 0.000 2.885 432 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 432 T C -0.579 173.967 174.700 -0.257 0.000 1.019 432 T CA -0.777 61.185 62.100 -0.230 0.000 1.010 432 T CB 1.502 70.264 68.868 -0.178 0.000 1.022 432 T HN 0.239 nan 8.240 nan 0.000 0.466 433 V N 3.434 123.108 119.914 -0.401 0.000 2.841 433 V HA 0.651 4.771 4.120 -0.000 0.000 0.310 433 V C -0.807 175.198 176.094 -0.149 0.000 1.090 433 V CA -1.022 61.136 62.300 -0.238 0.000 0.930 433 V CB 1.982 33.623 31.823 -0.304 0.000 1.014 433 V HN 1.161 nan 8.190 nan 0.000 0.425 434 N N 2.343 121.084 118.700 0.068 0.000 2.357 434 N HA 0.893 5.633 4.740 -0.000 0.000 0.284 434 N C -1.125 174.552 175.510 0.280 0.000 1.236 434 N CA -0.613 52.571 53.050 0.223 0.000 0.774 434 N CB 3.270 41.896 38.487 0.231 0.000 1.534 434 N HN 0.936 nan 8.380 nan 0.000 0.478 435 A N 0.532 123.489 122.820 0.228 0.000 2.577 435 A HA 0.469 4.789 4.320 -0.000 0.000 0.297 435 A C -0.815 176.792 177.584 0.039 0.000 1.060 435 A CA -0.679 51.449 52.037 0.152 0.000 0.697 435 A CB 1.047 20.187 19.000 0.234 0.000 1.281 435 A HN 0.557 nan 8.150 nan 0.000 0.402 436 T N 1.931 116.506 114.554 0.035 0.000 2.853 436 T HA 0.386 4.736 4.350 -0.000 0.000 0.298 436 T C 1.543 176.209 174.700 -0.058 0.000 0.978 436 T CA 0.813 62.914 62.100 0.002 0.000 1.152 436 T CB 1.220 70.092 68.868 0.007 0.000 0.914 436 T HN 1.052 nan 8.240 nan 0.000 0.539 437 G N 1.577 110.325 108.800 -0.087 0.000 2.408 437 G HA2 0.152 4.112 3.960 -0.000 0.000 0.213 437 G HA3 0.152 4.112 3.960 -0.000 0.000 0.213 437 G C 0.503 175.349 174.900 -0.090 0.000 1.177 437 G CA 0.653 45.669 45.100 -0.140 0.000 0.802 437 G HN 1.012 nan 8.290 nan 0.000 0.533 438 C N -1.855 117.411 119.300 -0.056 0.000 3.094 438 C HA 0.780 5.240 4.460 -0.000 0.000 0.414 438 C C -0.464 174.522 174.990 -0.006 0.000 0.993 438 C CA -0.909 58.087 59.018 -0.036 0.000 1.217 438 C CB 0.777 28.501 27.740 -0.028 0.000 1.603 438 C HN 0.740 nan 8.230 nan 0.000 0.564 439 A N 3.875 126.685 122.820 -0.017 0.000 2.258 439 A HA 0.677 4.997 4.320 -0.000 0.000 0.316 439 A C 0.667 178.223 177.584 -0.047 0.000 1.279 439 A CA -0.310 51.733 52.037 0.010 0.000 0.876 439 A CB 0.815 19.774 19.000 -0.069 0.000 1.170 439 A HN 1.602 nan 8.150 nan 0.000 0.520 440 V N 4.174 124.099 119.914 0.017 0.000 2.255 440 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 440 V C -0.354 175.681 176.094 -0.099 0.000 1.051 440 V CA 2.637 64.928 62.300 -0.015 0.000 1.018 440 V CB -1.578 30.281 31.823 0.060 0.000 0.641 440 V HN 0.719 nan 8.190 nan 0.000 0.445 441 P HA -0.204 nan 4.420 nan 0.000 0.214 441 P C 1.672 178.786 177.300 -0.311 0.000 1.172 441 P CA 1.781 64.701 63.100 -0.300 0.000 0.925 441 P CB -0.156 31.282 31.700 -0.437 0.000 0.793 442 R N -1.074 119.224 120.500 -0.337 0.000 2.235 442 R HA 0.040 4.380 4.340 -0.000 0.000 0.213 442 R C 2.327 178.518 176.300 -0.182 0.000 1.059 442 R CA 0.675 56.603 56.100 -0.286 0.000 0.997 442 R CB -0.706 29.393 30.300 -0.335 0.000 0.884 442 R HN 0.263 nan 8.270 nan 0.000 0.462 443 L N 0.346 121.480 121.223 -0.148 0.000 2.156 443 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 443 L C 2.172 178.997 176.870 -0.074 0.000 1.095 443 L CA 0.933 55.721 54.840 -0.087 0.000 0.770 443 L CB -0.274 41.743 42.059 -0.071 0.000 0.914 443 L HN 0.212 nan 8.230 nan 0.000 0.439 444 L N -0.338 120.824 121.223 -0.102 0.000 2.046 444 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 444 L C 2.488 179.303 176.870 -0.092 0.000 1.077 444 L CA 1.354 56.150 54.840 -0.074 0.000 0.747 444 L CB -0.383 41.629 42.059 -0.080 0.000 0.896 444 L HN 0.229 nan 8.230 nan 0.000 0.432 445 I N -0.006 120.434 120.570 -0.217 0.000 2.142 445 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 445 I C 2.842 178.886 176.117 -0.121 0.000 1.078 445 I CA 1.347 62.470 61.300 -0.296 0.000 1.343 445 I CB -0.511 37.210 38.000 -0.466 0.000 1.046 445 I HN 0.208 nan 8.210 nan 0.000 0.405 446 A N 0.880 123.648 122.820 -0.087 0.000 1.902 446 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 446 A C 2.308 179.929 177.584 0.062 0.000 1.181 446 A CA 1.452 53.473 52.037 -0.027 0.000 0.623 446 A CB -0.816 18.190 19.000 0.010 0.000 0.818 446 A HN 0.371 nan 8.150 nan 0.000 0.443 447 L N -0.761 120.518 121.223 0.094 0.000 2.005 447 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 447 L C 2.606 179.622 176.870 0.244 0.000 1.072 447 L CA 1.101 56.072 54.840 0.219 0.000 0.744 447 L CB -0.546 41.578 42.059 0.108 0.000 0.895 447 L HN 0.365 nan 8.230 nan 0.000 0.433 448 L N -0.517 120.786 121.223 0.133 0.000 2.046 448 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 448 L C 2.446 179.399 176.870 0.138 0.000 1.077 448 L CA 1.411 56.334 54.840 0.138 0.000 0.747 448 L CB -0.487 41.639 42.059 0.112 0.000 0.896 448 L HN 0.318 nan 8.230 nan 0.000 0.432 449 E N -0.731 119.516 120.200 0.078 0.000 2.216 449 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 449 E C 2.222 178.870 176.600 0.079 0.000 0.988 449 E CA 0.899 57.305 56.400 0.010 0.000 0.834 449 E CB 0.143 29.782 29.700 -0.103 0.000 0.772 449 E HN 0.344 nan 8.360 nan 0.000 0.479 450 S N -0.085 115.683 115.700 0.114 0.000 2.458 450 S HA -0.008 4.462 4.470 -0.000 0.000 0.223 450 S C 1.000 175.579 174.600 -0.035 0.000 1.019 450 S CA 0.474 58.723 58.200 0.081 0.000 0.937 450 S CB 0.059 63.210 63.200 -0.083 0.000 0.788 450 S HN 0.288 nan 8.310 nan 0.000 0.511 451 Y N 2.297 122.707 120.300 0.183 0.000 2.458 451 Y HA 0.254 4.804 4.550 -0.000 0.000 0.256 451 Y C 1.010 177.031 175.900 0.201 0.000 1.159 451 Y CA -0.798 57.394 58.100 0.153 0.000 1.261 451 Y CB -0.178 38.335 38.460 0.088 0.000 1.119 451 Y HN 0.321 nan 8.280 nan 0.000 0.524 452 Q N 0.621 120.645 119.800 0.373 0.000 2.395 452 Q HA 0.145 4.485 4.340 -0.000 0.000 0.271 452 Q C -0.473 175.804 176.000 0.461 0.000 1.026 452 Q CA 0.042 56.051 55.803 0.344 0.000 0.900 452 Q CB 0.712 29.616 28.738 0.277 0.000 1.266 452 Q HN 0.161 nan 8.270 nan 0.000 0.430 453 Q N 1.288 121.278 119.800 0.317 0.000 2.359 453 Q HA 0.175 4.515 4.340 -0.000 0.000 0.275 453 Q C 0.165 176.133 176.000 -0.055 0.000 1.082 453 Q CA -0.628 55.325 55.803 0.249 0.000 0.849 453 Q CB 1.533 30.343 28.738 0.119 0.000 1.377 453 Q HN 0.812 nan 8.270 nan 0.000 0.452 454 K N 0.876 121.050 120.400 -0.378 0.000 2.103 454 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 454 K C 0.761 177.070 176.600 -0.484 0.000 1.048 454 K CA 2.028 57.722 56.287 -0.989 0.000 0.930 454 K CB 0.143 32.248 32.500 -0.658 0.000 0.716 454 K HN 0.594 nan 8.250 nan 0.000 0.444 455 D N -1.493 118.768 120.400 -0.232 0.000 2.336 455 D HA 0.022 4.662 4.640 -0.000 0.000 0.229 455 D C 1.055 177.294 176.300 -0.101 0.000 1.061 455 D CA 0.856 54.770 54.000 -0.142 0.000 0.875 455 D CB 0.240 40.990 40.800 -0.082 0.000 0.904 455 D HN 0.432 nan 8.370 nan 0.000 0.525 456 G N -0.013 108.728 108.800 -0.098 0.000 2.217 456 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 456 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 456 G C 0.501 175.405 174.900 0.007 0.000 0.990 456 G CA 0.379 45.455 45.100 -0.039 0.000 0.627 456 G HN 0.836 nan 8.290 nan 0.000 0.522 457 S N -0.738 114.970 115.700 0.012 0.000 2.608 457 S HA 0.685 5.155 4.470 -0.000 0.000 0.261 457 S C -0.015 174.632 174.600 0.079 0.000 1.314 457 S CA 0.088 58.310 58.200 0.037 0.000 0.992 457 S CB 2.331 65.548 63.200 0.028 0.000 0.935 457 S HN 1.161 nan 8.310 nan 0.000 0.564 458 V N 1.929 121.894 119.914 0.084 0.000 2.525 458 V HA 0.349 4.469 4.120 -0.000 0.000 0.299 458 V C -0.153 175.999 176.094 0.097 0.000 1.034 458 V CA -0.768 61.606 62.300 0.124 0.000 0.863 458 V CB 1.386 33.278 31.823 0.115 0.000 0.999 458 V HN 0.856 nan 8.190 nan 0.000 0.423 459 L N 4.351 125.659 121.223 0.142 0.000 2.439 459 L HA 0.429 4.769 4.340 -0.000 0.000 0.269 459 L C -0.242 176.563 176.870 -0.108 0.000 1.179 459 L CA -0.348 54.532 54.840 0.067 0.000 0.828 459 L CB 1.219 43.374 42.059 0.160 0.000 1.106 459 L HN 0.355 nan 8.230 nan 0.000 0.467 460 V N 3.295 123.118 119.914 -0.152 0.000 2.394 460 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 460 V C -2.096 173.800 176.094 -0.330 0.000 1.031 460 V CA -1.826 60.326 62.300 -0.246 0.000 0.881 460 V CB 1.380 33.135 31.823 -0.113 0.000 0.982 460 V HN 0.624 nan 8.190 nan 0.000 0.451 461 P HA 0.129 nan 4.420 nan 0.000 0.265 461 P C -2.036 175.150 177.300 -0.190 0.000 1.193 461 P CA -0.913 61.955 63.100 -0.386 0.000 0.765 461 P CB 0.223 31.685 31.700 -0.398 0.000 0.823 462 P HA -0.289 nan 4.420 nan 0.000 0.216 462 P C 1.214 178.481 177.300 -0.055 0.000 1.154 462 P CA 2.163 65.229 63.100 -0.057 0.000 0.865 462 P CB -0.312 31.375 31.700 -0.021 0.000 0.789 463 A N -1.234 121.527 122.820 -0.098 0.000 2.024 463 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 463 A C 2.024 179.555 177.584 -0.089 0.000 1.164 463 A CA 1.393 53.355 52.037 -0.125 0.000 0.643 463 A CB -1.396 17.379 19.000 -0.376 0.000 0.806 463 A HN 0.186 nan 8.150 nan 0.000 0.451 464 L N -1.437 119.721 121.223 -0.109 0.000 2.585 464 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 464 L C 2.323 179.249 176.870 0.095 0.000 1.113 464 L CA 0.114 54.968 54.840 0.024 0.000 0.876 464 L CB -0.200 41.797 42.059 -0.105 0.000 1.072 464 L HN 0.432 nan 8.230 nan 0.000 0.468 465 Q N 0.551 120.359 119.800 0.014 0.000 2.170 465 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 465 Q C -0.573 175.422 176.000 -0.008 0.000 0.976 465 Q CA 1.462 57.266 55.803 0.000 0.000 0.858 465 Q CB -0.675 28.048 28.738 -0.024 0.000 0.907 465 Q HN 0.410 nan 8.270 nan 0.000 0.433 466 P HA -0.150 nan 4.420 nan 0.000 0.222 466 P C 0.186 177.324 177.300 -0.270 0.000 1.147 466 P CA 1.217 64.193 63.100 -0.208 0.000 0.790 466 P CB 0.008 31.503 31.700 -0.343 0.000 0.780 467 Y N -2.175 118.143 120.300 0.031 0.000 2.476 467 Y HA 0.079 4.629 4.550 -0.000 0.000 0.283 467 Y C 2.091 178.033 175.900 0.069 0.000 1.109 467 Y CA 0.280 58.422 58.100 0.071 0.000 1.246 467 Y CB -0.408 38.093 38.460 0.068 0.000 1.068 467 Y HN -0.167 nan 8.280 nan 0.000 0.552 468 L N -1.144 120.179 121.223 0.166 0.000 2.375 468 L HA 0.209 4.549 4.340 -0.000 0.000 0.215 468 L C 1.654 178.559 176.870 0.058 0.000 1.108 468 L CA 1.506 56.407 54.840 0.101 0.000 0.830 468 L CB -1.091 41.006 42.059 0.063 0.000 0.959 468 L HN 0.473 nan 8.230 nan 0.000 0.457 469 G N 0.579 109.400 108.800 0.034 0.000 2.155 469 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 469 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 469 G C 0.454 175.361 174.900 0.011 0.000 0.983 469 G CA 0.840 45.948 45.100 0.014 0.000 0.676 469 G HN 0.428 nan 8.290 nan 0.000 0.528 470 T N -1.197 113.363 114.554 0.011 0.000 2.802 470 T HA 0.496 4.846 4.350 -0.000 0.000 0.311 470 T C 0.042 174.740 174.700 -0.003 0.000 1.405 470 T CA 0.607 62.710 62.100 0.006 0.000 1.016 470 T CB 1.325 70.200 68.868 0.012 0.000 1.352 470 T HN 0.229 nan 8.240 nan 0.000 0.498 471 D N 1.282 121.679 120.400 -0.005 0.000 2.369 471 D HA 0.170 4.810 4.640 -0.000 0.000 0.211 471 D C 0.594 176.888 176.300 -0.009 0.000 1.077 471 D CA -0.096 53.895 54.000 -0.014 0.000 0.842 471 D CB 0.370 41.165 40.800 -0.008 0.000 0.947 471 D HN 0.457 nan 8.370 nan 0.000 0.509 472 R N 0.495 120.996 120.500 0.002 0.000 2.515 472 R HA 0.395 4.735 4.340 -0.000 0.000 0.278 472 R C -1.514 174.797 176.300 0.018 0.000 1.107 472 R CA -0.618 55.489 56.100 0.013 0.000 0.945 472 R CB 1.184 31.496 30.300 0.021 0.000 1.219 472 R HN -0.066 nan 8.270 nan 0.000 0.434 473 I N 4.544 125.129 120.570 0.024 0.000 2.352 473 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 473 I C 0.636 176.771 176.117 0.029 0.000 1.036 473 I CA -0.057 61.260 61.300 0.029 0.000 1.336 473 I CB 1.598 39.620 38.000 0.037 0.000 1.407 473 I HN 0.698 nan 8.210 nan 0.000 0.497 474 T N 0.513 115.080 114.554 0.022 0.000 2.883 474 T HA 0.362 4.712 4.350 -0.000 0.000 0.284 474 T C 0.089 174.792 174.700 0.004 0.000 1.041 474 T CA -0.842 61.265 62.100 0.011 0.000 1.007 474 T CB 1.250 70.121 68.868 0.005 0.000 1.220 474 T HN 0.388 nan 8.240 nan 0.000 0.552 475 T N 3.946 118.493 114.554 -0.012 0.000 2.933 475 T HA 0.248 4.598 4.350 -0.000 0.000 0.306 475 T C -1.839 172.836 174.700 -0.041 0.000 1.045 475 T CA -0.308 61.771 62.100 -0.034 0.000 1.143 475 T CB -0.198 68.643 68.868 -0.045 0.000 1.003 475 T HN 0.596 nan 8.240 nan 0.000 0.540 476 P HA 0.229 nan 4.420 nan 0.000 0.276 476 P C 0.630 177.853 177.300 -0.127 0.000 1.252 476 P CA -0.442 62.612 63.100 -0.077 0.000 0.802 476 P CB 0.752 32.393 31.700 -0.098 0.000 1.035 477 T N -1.165 113.368 114.554 -0.036 0.000 2.851 477 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 477 T C 1.076 175.754 174.700 -0.037 0.000 1.043 477 T CA 0.877 62.964 62.100 -0.021 0.000 1.140 477 T CB -0.760 68.128 68.868 0.034 0.000 0.872 477 T HN 0.616 nan 8.240 nan 0.000 0.446 478 H N 1.171 120.244 119.070 0.005 0.000 2.836 478 H HA 0.269 4.825 4.556 -0.000 0.000 0.368 478 H C -0.441 174.888 175.328 0.003 0.000 1.164 478 H CA -0.334 55.716 56.048 0.004 0.000 1.425 478 H CB 0.106 29.871 29.762 0.005 0.000 1.414 478 H HN -0.058 nan 8.280 nan 0.000 0.614 479 V N 4.081 124.040 119.914 0.076 0.000 2.461 479 V HA 0.131 4.251 4.120 -0.000 0.000 0.275 479 V C -1.765 174.406 176.094 0.128 0.000 1.047 479 V CA -1.428 60.886 62.300 0.024 0.000 0.955 479 V CB 0.521 32.366 31.823 0.037 0.000 0.988 479 V HN 0.723 nan 8.190 nan 0.000 0.471 480 P HA 0.090 nan 4.420 nan 0.000 0.267 480 P C -0.381 176.981 177.300 0.104 0.000 1.200 480 P CA -0.420 62.753 63.100 0.122 0.000 0.772 480 P CB 0.317 32.040 31.700 0.040 0.000 0.855 481 L N 3.059 124.343 121.223 0.102 0.000 2.514 481 L HA -0.000 4.340 4.340 -0.000 0.000 0.280 481 L C 0.851 177.760 176.870 0.066 0.000 1.223 481 L CA 1.116 55.995 54.840 0.065 0.000 0.864 481 L CB -0.290 41.793 42.059 0.040 0.000 1.118 481 L HN 0.320 nan 8.230 nan 0.000 0.494 482 Q N 2.374 122.209 119.800 0.060 0.000 2.316 482 Q HA 0.213 4.553 4.340 -0.000 0.000 0.264 482 Q C -0.980 175.080 176.000 0.099 0.000 0.987 482 Q CA -0.736 55.110 55.803 0.071 0.000 0.852 482 Q CB 1.531 30.292 28.738 0.038 0.000 1.287 482 Q HN 0.446 nan 8.270 nan 0.000 0.448 483 Y N 3.377 123.682 120.300 0.009 0.000 2.465 483 Y HA 0.111 4.660 4.550 -0.000 0.000 0.331 483 Y C 0.571 176.478 175.900 0.013 0.000 1.102 483 Y CA -0.156 57.952 58.100 0.014 0.000 1.358 483 Y CB 0.337 38.809 38.460 0.020 0.000 1.213 483 Y HN 0.573 nan 8.280 nan 0.000 0.525 484 I N 3.171 123.407 120.570 -0.556 0.000 3.947 484 I HA 0.514 4.684 4.170 -0.000 0.000 0.327 484 I C 0.798 176.529 176.117 -0.644 0.000 1.519 484 I CA -0.484 60.526 61.300 -0.483 0.000 1.122 484 I CB -0.018 37.856 38.000 -0.211 0.000 1.146 484 I HN 0.603 nan 8.210 nan 0.000 0.442 485 G N 2.215 110.217 108.800 -1.331 0.000 2.651 485 G HA2 0.388 4.348 3.960 -0.000 0.000 0.260 485 G HA3 0.388 4.348 3.960 -0.000 0.000 0.260 485 G C -1.389 173.300 174.900 -0.351 0.000 1.216 485 G CA -0.630 44.056 45.100 -0.689 0.000 0.913 485 G HN 0.229 nan 8.290 nan 0.000 0.535 486 P HA -0.015 nan 4.420 nan 0.000 0.236 486 P C 0.111 177.479 177.300 0.113 0.000 1.177 486 P CA 0.353 63.465 63.100 0.020 0.000 0.773 486 P CB 0.353 32.068 31.700 0.025 0.000 0.878 487 N N 2.100 120.956 118.700 0.259 0.000 3.188 487 N HA 0.089 4.829 4.740 -0.000 0.000 0.279 487 N C 0.245 175.933 175.510 0.297 0.000 1.213 487 N CA 0.262 53.464 53.050 0.253 0.000 1.138 487 N CB 0.207 38.828 38.487 0.222 0.000 1.417 487 N HN 0.507 nan 8.380 nan 0.000 0.526 488 Q N -1.530 118.396 119.800 0.210 0.000 2.527 488 Q HA 0.405 4.745 4.340 -0.000 0.000 0.280 488 Q C -2.499 173.559 176.000 0.096 0.000 0.977 488 Q CA -1.191 54.716 55.803 0.174 0.000 0.837 488 Q CB 0.742 29.636 28.738 0.259 0.000 1.454 488 Q HN -0.180 nan 8.270 nan 0.000 0.387 489 P HA -0.242 nan 4.420 nan 0.000 0.213 489 P C 0.012 177.334 177.300 0.037 0.000 1.176 489 P CA 1.636 64.763 63.100 0.045 0.000 0.919 489 P CB 0.135 31.857 31.700 0.036 0.000 0.791 490 Q N 0.000 119.821 119.800 0.035 0.000 2.315 490 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 490 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 490 Q CB 0.000 28.747 28.738 0.016 0.000 1.108 490 Q HN 0.000 nan 8.270 nan 0.000 0.481