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 3cze_1_A DATA FIRST_RESID 6 DATA SEQUENCE IDPPALRAAF AGPLXXXXAE VLLSRYDQHA SRLLDALHAL YGQRADYASW DATA SEQUENCE LAQWLGEVGD IARQRPQALQ TLDSTRHAGW FGQPHXLGYS AYADRFAGTL DATA SEQUENCE QGVAERVPYL QELGVRYLHL LPFLRARAGD NDGGFAVSDY GQVEPSLGSN DATA SEQUENCE DDLVALTSRL REAGISLCAD FVLNHTADDH AWAQAARAGD ARYLDYYHHF DATA SEQUENCE ADRTVPDRYE ATLGQVXXXX XXGNFTWVDD TAQWXWTTFY PYQWDLNWSN DATA SEQUENCE PAVFGDXALA XLRLANLGVE AFRLDSTAYL WKRIGTDCXN QSEAHTLLVA DATA SEQUENCE LRAVTDIVAP AVVXKAEAIV PXTQLPPYFG SGVDEGHECH LAYHSTLXAA DATA SEQUENCE GWSALALQRG DILHNVIAHS PPLPRHCAWL SYVRCHDDIG WNVLQHEACG DATA SEQUENCE NAAQPPFSLR DVARFYANAV PGSYARGESF XXXXXXVHGT NGXAAALAGI DATA SEQUENCE QAAQEAGDAA ALAVAVDRLV LLYAIALAXP GVPLIYXGDE LAXVNDPGYR DATA SEQUENCE DDPHRQHEGR WLHRPAXDWQ LAAQRHDAKS LSGTVYRRLR GLIRQRAALG DATA SEQUENCE ALAADQALAS IALNDPRVFA LTRGDSFIAL HNFSDQLLDV ELAAIGVDGW DATA SEQUENCE TLXXXXXXXX XXXXXXXXSI VLPPYGVRWL QR 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.171 176.117 0.090 0.000 1.063 6 I CA 0.000 61.375 61.300 0.125 0.000 1.566 6 I CB 0.000 38.062 38.000 0.103 0.000 1.214 7 D N 1.394 121.836 120.400 0.071 0.000 3.515 7 D HA -0.083 4.556 4.640 -0.000 0.000 0.247 7 D C -2.151 174.189 176.300 0.067 0.000 1.084 7 D CA 0.063 54.098 54.000 0.059 0.000 1.030 7 D CB -0.025 40.806 40.800 0.051 0.000 0.946 7 D HN 0.238 nan 8.370 nan 0.000 0.420 8 P HA -0.138 nan 4.420 nan 0.000 0.215 8 P C -1.283 176.075 177.300 0.097 0.000 1.157 8 P CA 1.917 65.074 63.100 0.094 0.000 0.874 8 P CB -0.413 31.333 31.700 0.076 0.000 0.790 9 P HA -0.190 nan 4.420 nan 0.000 0.216 9 P C 1.299 178.620 177.300 0.035 0.000 1.150 9 P CA 2.027 65.157 63.100 0.049 0.000 0.837 9 P CB -0.440 31.281 31.700 0.035 0.000 0.786 10 A N 0.181 123.024 122.820 0.038 0.000 1.898 10 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 10 A C 2.475 180.076 177.584 0.029 0.000 1.181 10 A CA 1.254 53.307 52.037 0.027 0.000 0.620 10 A CB -1.510 17.508 19.000 0.030 0.000 0.819 10 A HN 0.125 nan 8.150 nan 0.000 0.442 11 L N -1.113 120.145 121.223 0.059 0.000 2.093 11 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 11 L C 2.766 179.667 176.870 0.051 0.000 1.085 11 L CA 1.624 56.514 54.840 0.082 0.000 0.755 11 L CB -0.490 41.656 42.059 0.145 0.000 0.904 11 L HN 0.456 nan 8.230 nan 0.000 0.435 12 R N 0.532 121.039 120.500 0.012 0.000 2.081 12 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 12 R C 2.321 178.533 176.300 -0.147 0.000 1.131 12 R CA 1.462 57.419 56.100 -0.238 0.000 0.960 12 R CB -0.195 30.044 30.300 -0.102 0.000 0.856 12 R HN 0.335 nan 8.270 nan 0.000 0.436 13 A N 0.592 123.377 122.820 -0.057 0.000 1.930 13 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 13 A C 2.328 179.882 177.584 -0.050 0.000 1.175 13 A CA 1.467 53.476 52.037 -0.047 0.000 0.627 13 A CB -0.655 18.329 19.000 -0.026 0.000 0.815 13 A HN 0.529 nan 8.150 nan 0.000 0.443 14 A N -1.008 121.794 122.820 -0.030 0.000 1.902 14 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 14 A C 2.057 179.608 177.584 -0.055 0.000 1.181 14 A CA 1.631 53.646 52.037 -0.037 0.000 0.623 14 A CB -0.733 18.257 19.000 -0.017 0.000 0.818 14 A HN 0.707 nan 8.150 nan 0.000 0.443 15 F N 0.993 120.819 119.950 -0.207 0.000 2.134 15 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 15 F C 2.483 178.145 175.800 -0.230 0.000 1.097 15 F CA 1.246 59.095 58.000 -0.253 0.000 1.264 15 F CB -0.427 38.328 39.000 -0.408 0.000 1.001 15 F HN 0.238 nan 8.300 nan 0.000 0.479 16 A N 0.305 123.020 122.820 -0.175 0.000 1.933 16 A HA 0.291 4.611 4.320 -0.000 0.000 0.218 16 A C 1.593 179.047 177.584 -0.217 0.000 1.175 16 A CA 1.395 53.308 52.037 -0.207 0.000 0.628 16 A CB -1.519 17.425 19.000 -0.092 0.000 0.814 16 A HN 1.113 nan 8.150 nan 0.000 0.444 17 G N -2.312 106.386 108.800 -0.170 0.000 2.710 17 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.668 17 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.668 17 G C -1.152 173.692 174.900 -0.093 0.000 1.320 17 G CA -0.292 44.725 45.100 -0.139 0.000 0.860 17 G HN 0.128 nan 8.290 nan 0.000 0.538 18 P HA 0.018 nan 4.420 nan 0.000 0.218 18 P C 1.001 178.271 177.300 -0.050 0.000 1.150 18 P CA 1.676 64.743 63.100 -0.055 0.000 0.841 18 P CB 0.161 31.831 31.700 -0.049 0.000 0.784 25 E N 0.594 120.815 120.200 0.034 0.000 2.058 25 E HA -0.108 4.241 4.350 -0.000 0.000 0.194 25 E C 1.879 178.518 176.600 0.064 0.000 0.997 25 E CA 2.123 58.549 56.400 0.044 0.000 0.801 25 E CB -0.230 29.489 29.700 0.032 0.000 0.746 25 E HN 0.383 nan 8.360 nan 0.000 0.450 26 V N 0.512 120.463 119.914 0.062 0.000 2.295 26 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 26 V C 2.386 178.546 176.094 0.111 0.000 1.049 26 V CA 1.671 64.017 62.300 0.077 0.000 1.024 26 V CB -0.590 31.272 31.823 0.064 0.000 0.648 26 V HN 0.284 nan 8.190 nan 0.000 0.447 27 L N -0.316 120.980 121.223 0.122 0.000 2.012 27 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 27 L C 2.186 179.209 176.870 0.254 0.000 1.073 27 L CA 1.929 56.883 54.840 0.189 0.000 0.748 27 L CB -0.521 41.645 42.059 0.177 0.000 0.891 27 L HN 0.210 nan 8.230 nan 0.000 0.431 28 L N -1.468 119.882 121.223 0.211 0.000 2.141 28 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 28 L C 2.447 179.429 176.870 0.186 0.000 1.094 28 L CA 1.060 56.027 54.840 0.212 0.000 0.763 28 L CB -0.561 41.574 42.059 0.126 0.000 0.908 28 L HN 0.201 nan 8.230 nan 0.000 0.437 29 S N -0.471 115.312 115.700 0.138 0.000 2.382 29 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 29 S C 2.070 176.740 174.600 0.116 0.000 1.027 29 S CA 1.050 59.314 58.200 0.107 0.000 0.991 29 S CB -0.125 63.124 63.200 0.082 0.000 0.823 29 S HN 0.368 nan 8.310 nan 0.000 0.469 30 R N -0.544 120.055 120.500 0.164 0.000 2.090 30 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 30 R C 2.178 178.594 176.300 0.194 0.000 1.110 30 R CA 1.209 57.440 56.100 0.219 0.000 0.973 30 R CB -0.453 29.994 30.300 0.245 0.000 0.869 30 R HN 0.486 nan 8.270 nan 0.000 0.440 31 Y N 2.428 122.744 120.300 0.026 0.000 2.165 31 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 31 Y C 1.696 177.545 175.900 -0.084 0.000 1.155 31 Y CA 1.698 59.725 58.100 -0.121 0.000 1.164 31 Y CB -0.180 38.101 38.460 -0.298 0.000 0.978 31 Y HN -0.001 nan 8.280 nan 0.000 0.513 32 D N -0.409 120.079 120.400 0.146 0.000 2.218 32 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 32 D C 1.859 178.101 176.300 -0.096 0.000 0.976 32 D CA 1.158 55.189 54.000 0.053 0.000 0.853 32 D CB -0.059 40.789 40.800 0.080 0.000 0.939 32 D HN 0.495 nan 8.370 nan 0.000 0.481 33 Q N -0.686 119.015 119.800 -0.165 0.000 2.339 33 Q HA 0.015 4.355 4.340 -0.000 0.000 0.205 33 Q C 1.489 177.171 176.000 -0.531 0.000 0.925 33 Q CA 0.771 56.365 55.803 -0.348 0.000 0.898 33 Q CB 0.169 28.640 28.738 -0.445 0.000 1.013 33 Q HN 0.569 nan 8.270 nan 0.000 0.504 34 H N -1.077 117.905 119.070 -0.148 0.000 2.885 34 H HA 0.356 4.911 4.556 -0.000 0.000 0.260 34 H C 1.602 176.774 175.328 -0.259 0.000 0.985 34 H CA 0.597 56.542 56.048 -0.171 0.000 1.210 34 H CB 0.511 30.213 29.762 -0.101 0.000 1.466 34 H HN 0.157 nan 8.280 nan 0.000 0.493 35 A N 0.997 123.590 122.820 -0.378 0.000 1.940 35 A HA -0.149 4.170 4.320 -0.000 0.000 0.219 35 A C 2.466 179.892 177.584 -0.263 0.000 1.176 35 A CA 1.737 53.442 52.037 -0.552 0.000 0.631 35 A CB -0.420 17.739 19.000 -1.402 0.000 0.814 35 A HN 0.231 nan 8.150 nan 0.000 0.446 36 S N -0.970 114.611 115.700 -0.198 0.000 2.382 36 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 36 S C 2.081 176.637 174.600 -0.074 0.000 1.027 36 S CA 1.308 59.444 58.200 -0.107 0.000 0.991 36 S CB -0.297 62.845 63.200 -0.097 0.000 0.823 36 S HN 0.650 nan 8.310 nan 0.000 0.469 37 R N 0.470 120.917 120.500 -0.087 0.000 2.092 37 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 37 R C 2.323 178.612 176.300 -0.018 0.000 1.119 37 R CA 1.038 57.097 56.100 -0.069 0.000 0.970 37 R CB -0.372 29.860 30.300 -0.114 0.000 0.864 37 R HN 0.346 nan 8.270 nan 0.000 0.440 38 L N 1.140 122.363 121.223 0.001 0.000 2.017 38 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 38 L C 1.929 178.855 176.870 0.094 0.000 1.073 38 L CA 1.672 56.556 54.840 0.074 0.000 0.745 38 L CB -0.472 41.652 42.059 0.108 0.000 0.894 38 L HN 0.183 nan 8.230 nan 0.000 0.432 39 L N -0.497 120.773 121.223 0.079 0.000 2.083 39 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 39 L C 2.251 179.201 176.870 0.134 0.000 1.083 39 L CA 1.294 56.221 54.840 0.145 0.000 0.752 39 L CB -0.924 41.203 42.059 0.112 0.000 0.899 39 L HN 0.313 nan 8.230 nan 0.000 0.433 40 D N 0.233 120.662 120.400 0.049 0.000 2.144 40 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 40 D C 2.250 178.556 176.300 0.009 0.000 0.978 40 D CA 1.426 55.437 54.000 0.017 0.000 0.833 40 D CB -0.011 40.771 40.800 -0.029 0.000 0.961 40 D HN 0.299 nan 8.370 nan 0.000 0.470 41 A N 0.994 123.808 122.820 -0.010 0.000 1.858 41 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 41 A C 2.409 179.916 177.584 -0.127 0.000 1.190 41 A CA 1.013 53.009 52.037 -0.070 0.000 0.617 41 A CB -0.880 18.094 19.000 -0.042 0.000 0.827 41 A HN 0.198 nan 8.150 nan 0.000 0.443 42 L N -1.316 119.886 121.223 -0.036 0.000 2.083 42 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 42 L C 2.753 179.593 176.870 -0.049 0.000 1.083 42 L CA 1.580 56.433 54.840 0.021 0.000 0.752 42 L CB -0.737 41.505 42.059 0.306 0.000 0.899 42 L HN 0.625 nan 8.230 nan 0.000 0.433 43 H N 0.576 119.583 119.070 -0.105 0.000 2.389 43 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 43 H C 2.098 177.223 175.328 -0.338 0.000 1.081 43 H CA 1.502 57.356 56.048 -0.323 0.000 1.345 43 H CB 0.343 30.023 29.762 -0.137 0.000 1.393 43 H HN 0.298 nan 8.280 nan 0.000 0.520 44 A N 1.014 123.746 122.820 -0.146 0.000 1.933 44 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 44 A C 2.750 180.081 177.584 -0.420 0.000 1.175 44 A CA 1.318 53.223 52.037 -0.220 0.000 0.628 44 A CB -0.614 18.273 19.000 -0.188 0.000 0.814 44 A HN 0.435 nan 8.150 nan 0.000 0.444 45 L N -3.213 117.659 121.223 -0.584 0.000 2.202 45 L HA 0.030 4.369 4.340 -0.000 0.000 0.205 45 L C 1.539 177.904 176.870 -0.843 0.000 1.083 45 L CA 0.809 55.133 54.840 -0.860 0.000 0.790 45 L CB -0.039 41.270 42.059 -1.252 0.000 0.942 45 L HN 0.513 nan 8.230 nan 0.000 0.452 46 Y N -1.850 118.234 120.300 -0.360 0.000 2.563 46 Y HA 0.320 4.870 4.550 -0.000 0.000 0.250 46 Y C 2.159 177.636 175.900 -0.705 0.000 1.126 46 Y CA -0.221 57.649 58.100 -0.383 0.000 1.231 46 Y CB -0.651 37.652 38.460 -0.262 0.000 1.288 46 Y HN -0.062 nan 8.280 nan 0.000 0.537 47 G N 0.514 108.712 108.800 -1.004 0.000 2.517 47 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.222 47 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.222 47 G C 1.411 175.934 174.900 -0.628 0.000 1.109 47 G CA 1.026 45.325 45.100 -1.336 0.000 0.746 47 G HN 0.223 nan 8.290 nan 0.000 0.576 48 Q N -0.052 119.520 119.800 -0.382 0.000 2.403 48 Q HA 0.134 4.474 4.340 -0.000 0.000 0.203 48 Q C 0.994 176.962 176.000 -0.054 0.000 0.932 48 Q CA 0.072 55.778 55.803 -0.162 0.000 0.945 48 Q CB 0.246 28.913 28.738 -0.119 0.000 1.045 48 Q HN 0.477 nan 8.270 nan 0.000 0.511 49 R N 0.019 120.503 120.500 -0.027 0.000 2.490 49 R HA 0.309 4.649 4.340 -0.000 0.000 0.280 49 R C 1.171 177.530 176.300 0.099 0.000 1.077 49 R CA 0.305 56.432 56.100 0.045 0.000 1.065 49 R CB 0.585 30.922 30.300 0.062 0.000 1.003 49 R HN 0.035 nan 8.270 nan 0.000 0.470 50 A N 2.423 125.287 122.820 0.074 0.000 2.019 50 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 50 A C 1.279 178.930 177.584 0.111 0.000 1.164 50 A CA 1.736 53.824 52.037 0.085 0.000 0.644 50 A CB -0.258 18.776 19.000 0.057 0.000 0.805 50 A HN 0.865 nan 8.150 nan 0.000 0.449 51 D N -2.421 118.046 120.400 0.111 0.000 2.339 51 D HA -0.074 4.566 4.640 -0.000 0.000 0.217 51 D C 1.249 177.670 176.300 0.203 0.000 1.050 51 D CA 0.038 54.113 54.000 0.125 0.000 0.856 51 D CB -0.621 40.227 40.800 0.080 0.000 0.922 51 D HN 0.451 nan 8.370 nan 0.000 0.518 52 Y N 2.120 122.486 120.300 0.110 0.000 2.053 52 Y HA -0.216 4.334 4.550 -0.000 0.000 0.277 52 Y C 2.535 178.603 175.900 0.280 0.000 1.159 52 Y CA 2.367 60.580 58.100 0.188 0.000 1.125 52 Y CB -0.718 37.819 38.460 0.129 0.000 0.969 52 Y HN 0.060 nan 8.280 nan 0.000 0.492 53 A N -0.251 122.604 122.820 0.059 0.000 1.883 53 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 53 A C 2.501 180.070 177.584 -0.025 0.000 1.186 53 A CA 2.830 54.846 52.037 -0.035 0.000 0.624 53 A CB -1.487 17.565 19.000 0.085 0.000 0.822 53 A HN 0.642 nan 8.150 nan 0.000 0.444 54 S N -1.865 113.864 115.700 0.048 0.000 2.383 54 S HA -0.229 4.241 4.470 -0.000 0.000 0.227 54 S C 1.774 176.403 174.600 0.048 0.000 1.026 54 S CA 1.433 59.661 58.200 0.047 0.000 0.981 54 S CB -0.860 62.382 63.200 0.071 0.000 0.818 54 S HN 0.798 nan 8.310 nan 0.000 0.472 55 W N 2.023 123.286 121.300 -0.063 0.000 2.355 55 W HA 0.018 4.678 4.660 -0.000 0.000 0.309 55 W C 1.935 178.447 176.519 -0.012 0.000 1.206 55 W CA 1.005 58.319 57.345 -0.051 0.000 1.284 55 W CB -0.684 28.714 29.460 -0.104 0.000 1.145 55 W HN 0.313 nan 8.180 nan 0.000 0.502 56 L N 1.801 122.831 121.223 -0.323 0.000 2.017 56 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 56 L C 2.549 179.257 176.870 -0.269 0.000 1.073 56 L CA 2.967 57.502 54.840 -0.508 0.000 0.745 56 L CB -1.529 40.314 42.059 -0.359 0.000 0.894 56 L HN 0.101 nan 8.230 nan 0.000 0.432 57 A N -1.144 121.580 122.820 -0.159 0.000 1.883 57 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 57 A C 2.331 179.854 177.584 -0.102 0.000 1.186 57 A CA 2.010 53.996 52.037 -0.084 0.000 0.624 57 A CB -0.783 18.190 19.000 -0.045 0.000 0.822 57 A HN 0.666 nan 8.150 nan 0.000 0.444 58 Q N -1.935 117.789 119.800 -0.127 0.000 2.050 58 Q HA -0.238 4.101 4.340 -0.000 0.000 0.202 58 Q C 1.952 177.880 176.000 -0.119 0.000 0.980 58 Q CA 1.959 57.702 55.803 -0.101 0.000 0.840 58 Q CB -0.320 28.377 28.738 -0.067 0.000 0.898 58 Q HN 0.804 nan 8.270 nan 0.000 0.424 59 W N 1.066 122.094 121.300 -0.454 0.000 2.335 59 W HA -0.195 4.465 4.660 -0.000 0.000 0.311 59 W C 1.614 178.022 176.519 -0.185 0.000 1.213 59 W CA 1.498 58.594 57.345 -0.414 0.000 1.274 59 W CB -0.439 28.492 29.460 -0.881 0.000 1.148 59 W HN 0.162 nan 8.180 nan 0.000 0.498 60 L N 0.433 121.485 121.223 -0.285 0.000 2.131 60 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 60 L C 2.648 179.402 176.870 -0.193 0.000 1.092 60 L CA 1.445 56.119 54.840 -0.277 0.000 0.759 60 L CB -1.453 40.612 42.059 0.011 0.000 0.903 60 L HN 0.247 nan 8.230 nan 0.000 0.435 61 G N -0.302 108.396 108.800 -0.170 0.000 2.418 61 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 61 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 61 G C 1.397 176.172 174.900 -0.209 0.000 1.158 61 G CA 0.557 45.559 45.100 -0.163 0.000 0.771 61 G HN 0.429 nan 8.290 nan 0.000 0.545 62 E N -0.009 120.060 120.200 -0.219 0.000 2.106 62 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 62 E C 2.695 179.144 176.600 -0.252 0.000 0.984 62 E CA 0.843 57.130 56.400 -0.189 0.000 0.806 62 E CB -0.119 29.512 29.700 -0.116 0.000 0.750 62 E HN 0.309 nan 8.360 nan 0.000 0.458 63 V N 1.009 120.676 119.914 -0.412 0.000 2.358 63 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 63 V C 2.372 178.316 176.094 -0.249 0.000 1.047 63 V CA 1.986 64.081 62.300 -0.340 0.000 1.035 63 V CB -0.945 30.573 31.823 -0.509 0.000 0.658 63 V HN 0.416 nan 8.190 nan 0.000 0.452 64 G N -0.335 108.210 108.800 -0.424 0.000 2.418 64 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.217 64 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.217 64 G C 1.252 175.870 174.900 -0.470 0.000 1.158 64 G CA 1.029 45.620 45.100 -0.848 0.000 0.771 64 G HN 0.499 nan 8.290 nan 0.000 0.545 65 D N 0.711 120.931 120.400 -0.300 0.000 2.117 65 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 65 D C 2.575 178.790 176.300 -0.141 0.000 0.982 65 D CA 0.436 54.320 54.000 -0.193 0.000 0.828 65 D CB -0.100 40.620 40.800 -0.135 0.000 0.967 65 D HN 0.192 nan 8.370 nan 0.000 0.464 66 I N 1.359 121.856 120.570 -0.121 0.000 2.286 66 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 66 I C 2.491 178.574 176.117 -0.056 0.000 1.115 66 I CA 0.563 61.825 61.300 -0.064 0.000 1.392 66 I CB -1.295 36.684 38.000 -0.034 0.000 1.065 66 I HN -0.129 nan 8.210 nan 0.000 0.418 67 A N 0.976 123.744 122.820 -0.087 0.000 1.877 67 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 67 A C 2.462 180.008 177.584 -0.064 0.000 1.186 67 A CA 1.428 53.436 52.037 -0.049 0.000 0.620 67 A CB -0.622 18.343 19.000 -0.059 0.000 0.822 67 A HN 0.322 nan 8.150 nan 0.000 0.443 68 R N -0.206 120.221 120.500 -0.122 0.000 2.189 68 R HA -0.112 4.228 4.340 -0.000 0.000 0.223 68 R C 2.029 178.293 176.300 -0.061 0.000 1.092 68 R CA 1.321 57.363 56.100 -0.097 0.000 0.989 68 R CB -0.154 30.066 30.300 -0.135 0.000 0.876 68 R HN 0.909 nan 8.270 nan 0.000 0.457 69 Q N 0.542 120.311 119.800 -0.053 0.000 2.360 69 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 69 Q C 0.315 176.306 176.000 -0.016 0.000 0.915 69 Q CA -0.174 55.609 55.803 -0.032 0.000 0.943 69 Q CB 0.170 28.890 28.738 -0.030 0.000 1.064 69 Q HN 0.025 nan 8.270 nan 0.000 0.511 70 R N 2.419 122.913 120.500 -0.010 0.000 2.522 70 R HA 0.127 4.467 4.340 -0.000 0.000 0.284 70 R C -2.249 174.051 176.300 0.000 0.000 1.032 70 R CA -1.357 54.745 56.100 0.005 0.000 1.049 70 R CB 0.268 30.578 30.300 0.016 0.000 0.956 70 R HN 0.008 nan 8.270 nan 0.000 0.422 71 P HA -0.083 nan 4.420 nan 0.000 0.265 71 P C -0.184 177.112 177.300 -0.006 0.000 1.187 71 P CA 0.258 63.355 63.100 -0.004 0.000 0.766 71 P CB 0.602 32.300 31.700 -0.004 0.000 0.820 72 Q N 2.438 122.232 119.800 -0.009 0.000 2.152 72 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 72 Q C 2.026 178.017 176.000 -0.014 0.000 0.985 72 Q CA 2.039 57.836 55.803 -0.010 0.000 0.863 72 Q CB -0.468 28.263 28.738 -0.011 0.000 0.904 72 Q HN 0.587 nan 8.270 nan 0.000 0.422 73 A N 0.680 123.489 122.820 -0.018 0.000 1.933 73 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 73 A C 1.999 179.564 177.584 -0.032 0.000 1.175 73 A CA 1.150 53.171 52.037 -0.026 0.000 0.628 73 A CB -0.559 18.424 19.000 -0.027 0.000 0.814 73 A HN 0.304 nan 8.150 nan 0.000 0.444 74 L N -1.154 120.055 121.223 -0.024 0.000 2.156 74 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 74 L C 2.753 179.613 176.870 -0.017 0.000 1.095 74 L CA 1.019 55.845 54.840 -0.024 0.000 0.770 74 L CB -0.548 41.507 42.059 -0.008 0.000 0.914 74 L HN 0.464 nan 8.230 nan 0.000 0.439 75 Q N -0.540 119.256 119.800 -0.007 0.000 2.167 75 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 75 Q C 2.144 178.141 176.000 -0.005 0.000 0.970 75 Q CA 1.754 57.559 55.803 0.004 0.000 0.855 75 Q CB -0.100 28.643 28.738 0.008 0.000 0.911 75 Q HN 0.465 nan 8.270 nan 0.000 0.438 76 T N 1.307 115.849 114.554 -0.019 0.000 2.777 76 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 76 T C 1.872 176.543 174.700 -0.049 0.000 1.040 76 T CA 0.668 62.751 62.100 -0.028 0.000 1.141 76 T CB -0.107 68.742 68.868 -0.033 0.000 0.868 76 T HN 0.178 nan 8.240 nan 0.000 0.444 77 L N 0.988 122.167 121.223 -0.072 0.000 2.046 77 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 77 L C 2.515 179.322 176.870 -0.106 0.000 1.077 77 L CA 1.246 56.011 54.840 -0.126 0.000 0.747 77 L CB -0.638 41.324 42.059 -0.161 0.000 0.896 77 L HN 0.198 nan 8.230 nan 0.000 0.432 78 D N -0.082 120.288 120.400 -0.051 0.000 2.116 78 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 78 D C 2.255 178.566 176.300 0.017 0.000 0.998 78 D CA 1.975 55.972 54.000 -0.006 0.000 0.836 78 D CB -0.153 40.664 40.800 0.029 0.000 0.951 78 D HN 0.371 nan 8.370 nan 0.000 0.449 79 S N -0.895 114.815 115.700 0.017 0.000 2.558 79 S HA -0.015 4.455 4.470 -0.000 0.000 0.217 79 S C 1.680 176.304 174.600 0.039 0.000 0.975 79 S CA 1.078 59.302 58.200 0.039 0.000 0.912 79 S CB -0.044 63.178 63.200 0.037 0.000 0.776 79 S HN 0.337 nan 8.310 nan 0.000 0.526 80 T N -1.619 112.935 114.554 -0.001 0.000 2.971 80 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 80 T C 0.647 175.314 174.700 -0.056 0.000 1.022 80 T CA -0.532 61.558 62.100 -0.017 0.000 0.980 80 T CB -0.116 68.715 68.868 -0.061 0.000 1.044 80 T HN 0.157 nan 8.240 nan 0.000 0.501 81 R N 1.649 122.103 120.500 -0.076 0.000 2.491 81 R HA 0.327 4.667 4.340 -0.000 0.000 0.283 81 R C -0.338 176.046 176.300 0.141 0.000 1.072 81 R CA -0.124 55.908 56.100 -0.113 0.000 1.048 81 R CB 0.361 30.454 30.300 -0.345 0.000 0.983 81 R HN 0.590 nan 8.270 nan 0.000 0.450 82 H N 0.221 119.336 119.070 0.075 0.000 2.482 82 H HA 0.269 4.825 4.556 -0.000 0.000 0.344 82 H C 0.105 175.515 175.328 0.136 0.000 1.151 82 H CA -0.958 55.140 56.048 0.083 0.000 1.300 82 H CB 1.480 31.280 29.762 0.063 0.000 1.494 82 H HN 0.660 nan 8.280 nan 0.000 0.542 83 A N 1.181 124.052 122.820 0.085 0.000 2.540 83 A HA 0.322 4.642 4.320 -0.000 0.000 0.239 83 A C 1.395 178.887 177.584 -0.153 0.000 1.061 83 A CA 0.611 52.561 52.037 -0.145 0.000 0.758 83 A CB -0.801 17.700 19.000 -0.832 0.000 0.991 83 A HN 1.078 nan 8.150 nan 0.000 0.502 84 G N 0.950 109.625 108.800 -0.208 0.000 2.148 84 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.254 84 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.254 84 G C 0.863 175.295 174.900 -0.779 0.000 0.981 84 G CA 0.876 45.582 45.100 -0.657 0.000 0.670 84 G HN 1.626 nan 8.290 nan 0.000 0.528 85 W N 0.837 121.916 121.300 -0.368 0.000 2.342 85 W HA -0.057 4.603 4.660 -0.000 0.000 0.297 85 W C 1.886 178.280 176.519 -0.209 0.000 1.213 85 W CA 1.496 58.741 57.345 -0.167 0.000 1.251 85 W CB -1.492 27.974 29.460 0.010 0.000 1.136 85 W HN 0.671 nan 8.180 nan 0.000 0.526 86 F N 1.284 120.537 119.950 -1.163 0.000 2.546 86 F HA 0.396 4.922 4.527 -0.000 0.000 0.298 86 F C 2.051 177.532 175.800 -0.533 0.000 1.120 86 F CA 0.862 58.189 58.000 -1.122 0.000 1.456 86 F CB -1.435 36.668 39.000 -1.496 0.000 1.088 86 F HN -0.135 nan 8.300 nan 0.000 0.572 87 G N 0.040 108.325 108.800 -0.859 0.000 3.189 87 G HA2 0.081 4.041 3.960 -0.000 0.000 0.225 87 G HA3 0.081 4.041 3.960 -0.000 0.000 0.225 87 G C 0.478 175.171 174.900 -0.344 0.000 1.159 87 G CA -0.285 44.530 45.100 -0.476 0.000 0.763 87 G HN 0.133 nan 8.290 nan 0.000 0.549 88 Q N 0.313 119.894 119.800 -0.364 0.000 2.417 88 Q HA 0.150 4.489 4.340 -0.000 0.000 0.241 88 Q C -1.456 174.316 176.000 -0.379 0.000 1.008 88 Q CA -1.869 53.739 55.803 -0.324 0.000 0.901 88 Q CB 1.142 29.716 28.738 -0.274 0.000 1.259 88 Q HN 0.008 nan 8.270 nan 0.000 0.489 89 P HA -0.173 nan 4.420 nan 0.000 0.217 89 P C 0.300 177.550 177.300 -0.084 0.000 1.148 89 P CA 1.488 64.513 63.100 -0.124 0.000 0.828 89 P CB -0.065 31.609 31.700 -0.044 0.000 0.783 93 G N 2.126 111.046 108.800 0.200 0.000 2.509 93 G HA2 0.626 4.586 3.960 -0.000 0.000 0.328 93 G HA3 0.626 4.586 3.960 -0.000 0.000 0.328 93 G C -2.168 172.968 174.900 0.394 0.000 1.194 93 G CA -0.464 44.833 45.100 0.329 0.000 0.967 93 G HN 0.731 nan 8.290 nan 0.000 0.488 94 Y N -0.262 120.186 120.300 0.247 0.000 2.441 94 Y HA 0.575 5.125 4.550 -0.000 0.000 0.334 94 Y C -0.444 175.558 175.900 0.170 0.000 1.061 94 Y CA -0.871 57.331 58.100 0.169 0.000 1.032 94 Y CB 2.411 40.917 38.460 0.076 0.000 1.266 94 Y HN 0.650 nan 8.280 nan 0.000 0.441 95 S N 4.042 119.695 115.700 -0.078 0.000 2.502 95 S HA 0.969 5.439 4.470 -0.000 0.000 0.304 95 S C -1.242 173.231 174.600 -0.211 0.000 1.097 95 S CA 0.207 58.399 58.200 -0.012 0.000 1.045 95 S CB 0.763 64.085 63.200 0.202 0.000 1.019 95 S HN 1.114 nan 8.310 nan 0.000 0.481 96 A N 3.313 125.983 122.820 -0.251 0.000 2.601 96 A HA 0.674 4.994 4.320 -0.000 0.000 0.291 96 A C -2.205 175.246 177.584 -0.221 0.000 1.075 96 A CA -0.666 51.244 52.037 -0.212 0.000 0.671 96 A CB 0.614 19.513 19.000 -0.168 0.000 1.277 96 A HN 0.740 nan 8.150 nan 0.000 0.417 97 Y N 0.856 121.144 120.300 -0.020 0.000 2.316 97 Y HA 0.439 4.989 4.550 -0.000 0.000 0.331 97 Y C 1.563 177.518 175.900 0.092 0.000 1.083 97 Y CA 0.792 58.893 58.100 0.002 0.000 1.206 97 Y CB 1.666 40.129 38.460 0.004 0.000 1.195 97 Y HN 0.876 nan 8.280 nan 0.000 0.497 98 A N 2.225 125.184 122.820 0.231 0.000 1.902 98 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 98 A C 1.982 179.714 177.584 0.247 0.000 1.181 98 A CA 2.006 54.170 52.037 0.211 0.000 0.623 98 A CB -0.561 18.502 19.000 0.104 0.000 0.818 98 A HN 0.905 nan 8.150 nan 0.000 0.443 99 D N -0.660 119.869 120.400 0.216 0.000 2.117 99 D HA -0.182 4.457 4.640 -0.000 0.000 0.198 99 D C 1.726 178.140 176.300 0.190 0.000 0.982 99 D CA 0.972 55.074 54.000 0.170 0.000 0.828 99 D CB -0.498 40.379 40.800 0.129 0.000 0.967 99 D HN 0.279 nan 8.370 nan 0.000 0.464 100 R N -0.280 120.356 120.500 0.226 0.000 2.092 100 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 100 R C 2.216 178.672 176.300 0.260 0.000 1.119 100 R CA 0.367 56.593 56.100 0.210 0.000 0.970 100 R CB -1.282 29.140 30.300 0.204 0.000 0.864 100 R HN 0.297 nan 8.270 nan 0.000 0.440 101 F N 0.584 120.638 119.950 0.173 0.000 2.098 101 F HA 0.069 4.596 4.527 -0.000 0.000 0.294 101 F C 1.272 177.302 175.800 0.384 0.000 1.107 101 F CA 1.556 59.692 58.000 0.227 0.000 1.234 101 F CB 0.108 39.254 39.000 0.243 0.000 1.002 101 F HN 0.009 nan 8.300 nan 0.000 0.472 102 A N -1.490 121.473 122.820 0.238 0.000 2.538 102 A HA 0.552 4.872 4.320 -0.000 0.000 0.276 102 A C 1.240 178.863 177.584 0.066 0.000 0.908 102 A CA 0.486 52.562 52.037 0.066 0.000 1.042 102 A CB -0.604 18.362 19.000 -0.056 0.000 1.218 102 A HN 0.944 nan 8.150 nan 0.000 0.517 103 G N 0.318 109.185 108.800 0.111 0.000 3.548 103 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 103 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 103 G C 0.826 175.766 174.900 0.066 0.000 1.351 103 G CA 1.252 46.397 45.100 0.075 0.000 0.905 103 G HN 2.100 nan 8.290 nan 0.000 0.561 104 T N -2.256 112.327 114.554 0.047 0.000 2.838 104 T HA 0.730 5.080 4.350 -0.000 0.000 0.292 104 T C 1.354 176.066 174.700 0.020 0.000 1.113 104 T CA -0.044 62.074 62.100 0.030 0.000 1.008 104 T CB 1.499 70.371 68.868 0.006 0.000 1.259 104 T HN 0.394 nan 8.240 nan 0.000 0.520 105 L N 0.257 121.472 121.223 -0.014 0.000 2.017 105 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 105 L C 3.060 179.910 176.870 -0.032 0.000 1.073 105 L CA 1.871 56.679 54.840 -0.053 0.000 0.745 105 L CB -0.582 41.416 42.059 -0.101 0.000 0.894 105 L HN 0.854 nan 8.230 nan 0.000 0.432 106 Q N 0.127 119.909 119.800 -0.030 0.000 2.224 106 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 106 Q C 2.088 178.068 176.000 -0.033 0.000 0.970 106 Q CA 1.465 57.250 55.803 -0.031 0.000 0.865 106 Q CB -0.099 28.619 28.738 -0.033 0.000 0.922 106 Q HN 0.496 nan 8.270 nan 0.000 0.445 107 G N -0.085 108.699 108.800 -0.028 0.000 2.402 107 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 107 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 107 G C 1.384 176.268 174.900 -0.026 0.000 1.162 107 G CA 0.832 45.900 45.100 -0.053 0.000 0.777 107 G HN 0.281 nan 8.290 nan 0.000 0.539 108 V N 1.629 121.585 119.914 0.070 0.000 2.343 108 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 108 V C 3.326 179.502 176.094 0.138 0.000 1.051 108 V CA 1.983 64.411 62.300 0.213 0.000 1.036 108 V CB -0.846 31.098 31.823 0.201 0.000 0.654 108 V HN 0.463 nan 8.190 nan 0.000 0.451 109 A N -0.370 122.476 122.820 0.044 0.000 1.933 109 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 109 A C 2.138 179.722 177.584 -0.000 0.000 1.175 109 A CA 1.852 53.899 52.037 0.018 0.000 0.628 109 A CB -0.460 18.532 19.000 -0.013 0.000 0.814 109 A HN 0.641 nan 8.150 nan 0.000 0.444 110 E N -0.853 119.323 120.200 -0.041 0.000 2.347 110 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 110 E C 1.337 177.865 176.600 -0.120 0.000 1.008 110 E CA 0.327 56.673 56.400 -0.089 0.000 0.852 110 E CB 0.032 29.650 29.700 -0.137 0.000 0.783 110 E HN 0.284 nan 8.360 nan 0.000 0.505 111 R N 0.387 120.832 120.500 -0.091 0.000 2.359 111 R HA 0.090 4.430 4.340 -0.000 0.000 0.231 111 R C 1.752 178.159 176.300 0.179 0.000 0.913 111 R CA 0.075 56.123 56.100 -0.086 0.000 1.075 111 R CB -0.009 30.148 30.300 -0.238 0.000 1.087 111 R HN 0.074 nan 8.270 nan 0.000 0.515 112 V N 1.697 121.688 119.914 0.129 0.000 2.392 112 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 112 V C -0.810 175.362 176.094 0.129 0.000 1.059 112 V CA 1.851 64.231 62.300 0.133 0.000 1.051 112 V CB -0.992 30.873 31.823 0.069 0.000 0.658 112 V HN 0.176 nan 8.190 nan 0.000 0.455 113 P HA -0.203 nan 4.420 nan 0.000 0.216 113 P C 1.559 178.955 177.300 0.159 0.000 1.150 113 P CA 1.461 64.622 63.100 0.101 0.000 0.837 113 P CB -0.107 31.636 31.700 0.073 0.000 0.786 114 Y N 0.263 120.632 120.300 0.115 0.000 2.200 114 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 114 Y C 1.982 177.975 175.900 0.154 0.000 1.137 114 Y CA 1.467 59.682 58.100 0.190 0.000 1.163 114 Y CB -0.958 37.716 38.460 0.357 0.000 0.988 114 Y HN -0.206 nan 8.280 nan 0.000 0.518 115 L N 0.048 121.380 121.223 0.182 0.000 2.093 115 L HA -0.234 4.105 4.340 -0.000 0.000 0.208 115 L C 2.625 179.463 176.870 -0.054 0.000 1.085 115 L CA 1.837 56.656 54.840 -0.036 0.000 0.755 115 L CB -0.657 41.406 42.059 0.008 0.000 0.904 115 L HN 0.300 nan 8.230 nan 0.000 0.435 116 Q N 0.408 120.215 119.800 0.012 0.000 2.119 116 Q HA -0.222 4.118 4.340 -0.000 0.000 0.201 116 Q C 1.990 177.993 176.000 0.005 0.000 0.972 116 Q CA 1.481 57.294 55.803 0.017 0.000 0.847 116 Q CB 0.118 28.877 28.738 0.036 0.000 0.903 116 Q HN 0.493 nan 8.270 nan 0.000 0.433 117 E N 0.263 120.462 120.200 -0.000 0.000 2.150 117 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 117 E C 1.947 178.554 176.600 0.011 0.000 0.985 117 E CA 0.719 57.134 56.400 0.025 0.000 0.814 117 E CB -0.017 29.716 29.700 0.055 0.000 0.752 117 E HN 0.389 nan 8.360 nan 0.000 0.466 118 L N -0.599 120.572 121.223 -0.087 0.000 2.217 118 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 118 L C 1.210 178.020 176.870 -0.100 0.000 1.107 118 L CA 1.181 55.929 54.840 -0.154 0.000 0.783 118 L CB 0.031 41.935 42.059 -0.260 0.000 0.919 118 L HN 0.421 nan 8.230 nan 0.000 0.442 119 G N -0.619 108.156 108.800 -0.041 0.000 2.148 119 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.203 119 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.203 119 G C 0.114 175.043 174.900 0.047 0.000 0.993 119 G CA 0.058 45.165 45.100 0.012 0.000 0.661 119 G HN 0.097 nan 8.290 nan 0.000 0.518 120 V N 1.219 121.148 119.914 0.025 0.000 2.655 120 V HA 0.386 4.506 4.120 -0.000 0.000 0.300 120 V C 1.371 177.538 176.094 0.121 0.000 1.044 120 V CA 0.315 62.661 62.300 0.078 0.000 1.095 120 V CB 1.311 33.143 31.823 0.016 0.000 0.952 120 V HN 0.354 nan 8.190 nan 0.000 0.485 121 R N 2.833 123.450 120.500 0.194 0.000 2.541 121 R HA 0.218 4.557 4.340 -0.000 0.000 0.332 121 R C -0.822 175.671 176.300 0.321 0.000 0.951 121 R CA -0.017 56.225 56.100 0.236 0.000 1.136 121 R CB 0.605 31.077 30.300 0.287 0.000 1.449 121 R HN 0.719 nan 8.270 nan 0.000 0.531 122 Y N 0.620 121.010 120.300 0.149 0.000 2.330 122 Y HA 0.451 5.001 4.550 -0.000 0.000 0.324 122 Y C -1.731 174.261 175.900 0.153 0.000 1.093 122 Y CA -1.453 56.738 58.100 0.152 0.000 1.103 122 Y CB 1.281 39.824 38.460 0.138 0.000 1.183 122 Y HN -0.084 nan 8.280 nan 0.000 0.433 123 L N 6.947 128.159 121.223 -0.019 0.000 2.325 123 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 123 L C -1.344 175.522 176.870 -0.007 0.000 1.004 123 L CA -0.364 54.509 54.840 0.055 0.000 0.823 123 L CB 0.974 43.042 42.059 0.016 0.000 1.236 123 L HN 0.784 nan 8.230 nan 0.000 0.415 124 H N 6.356 125.429 119.070 0.006 0.000 2.597 124 H HA 0.400 4.956 4.556 -0.000 0.000 0.303 124 H C -1.380 173.949 175.328 0.000 0.000 1.057 124 H CA -0.846 55.202 56.048 0.000 0.000 1.261 124 H CB 0.882 30.708 29.762 0.108 0.000 1.397 124 H HN 0.610 nan 8.280 nan 0.000 0.461 125 L N 7.076 128.298 121.223 -0.003 0.000 2.272 125 L HA 0.225 4.565 4.340 -0.000 0.000 0.289 125 L C 0.109 176.894 176.870 -0.141 0.000 1.032 125 L CA -0.655 54.127 54.840 -0.096 0.000 0.810 125 L CB 1.503 43.560 42.059 -0.003 0.000 1.205 125 L HN 0.552 nan 8.230 nan 0.000 0.422 126 L N 4.857 125.806 121.223 -0.456 0.000 2.479 126 L HA 0.089 4.429 4.340 -0.000 0.000 0.270 126 L C -1.779 174.994 176.870 -0.163 0.000 1.236 126 L CA -1.396 53.151 54.840 -0.488 0.000 0.823 126 L CB -0.185 41.326 42.059 -0.915 0.000 1.098 126 L HN 0.384 nan 8.230 nan 0.000 0.500 127 P HA -0.210 nan 4.420 nan 0.000 0.247 127 P C -0.441 176.771 177.300 -0.147 0.000 1.103 127 P CA 1.099 63.955 63.100 -0.406 0.000 0.797 127 P CB -0.212 31.072 31.700 -0.693 0.000 0.710 128 F N 1.987 121.889 119.950 -0.081 0.000 2.729 128 F HA 0.359 4.885 4.527 -0.000 0.000 0.315 128 F C -0.015 175.768 175.800 -0.029 0.000 1.102 128 F CA -0.652 57.327 58.000 -0.035 0.000 1.204 128 F CB -0.352 38.640 39.000 -0.014 0.000 1.052 128 F HN -0.052 nan 8.300 nan 0.000 0.551 129 L N 1.631 122.684 121.223 -0.283 0.000 2.439 129 L HA 0.422 4.762 4.340 -0.000 0.000 0.259 129 L C 0.847 177.646 176.870 -0.118 0.000 1.129 129 L CA -1.131 53.611 54.840 -0.162 0.000 0.803 129 L CB 0.446 42.369 42.059 -0.226 0.000 1.161 129 L HN -0.039 nan 8.230 nan 0.000 0.462 130 R N 1.401 121.835 120.500 -0.110 0.000 2.494 130 R HA 0.161 4.501 4.340 -0.000 0.000 0.291 130 R C -0.320 175.887 176.300 -0.156 0.000 0.953 130 R CA 0.053 56.078 56.100 -0.126 0.000 1.098 130 R CB -0.125 30.079 30.300 -0.160 0.000 0.911 130 R HN 0.669 nan 8.270 nan 0.000 0.407 131 A N 3.468 126.216 122.820 -0.120 0.000 2.350 131 A HA 0.425 4.745 4.320 -0.000 0.000 0.318 131 A C 0.049 177.566 177.584 -0.113 0.000 1.132 131 A CA -0.860 51.111 52.037 -0.111 0.000 0.811 131 A CB 1.037 19.990 19.000 -0.079 0.000 1.313 131 A HN 0.765 nan 8.150 nan 0.000 0.454 132 R N 0.755 121.190 120.500 -0.108 0.000 2.583 132 R HA 0.279 4.619 4.340 -0.000 0.000 0.274 132 R C 0.361 176.567 176.300 -0.157 0.000 0.998 132 R CA 0.493 56.506 56.100 -0.145 0.000 1.081 132 R CB 0.210 30.404 30.300 -0.176 0.000 0.940 132 R HN 0.910 nan 8.270 nan 0.000 0.413 133 A N 3.556 126.284 122.820 -0.154 0.000 2.511 133 A HA 0.441 4.761 4.320 -0.000 0.000 0.242 133 A C 0.961 178.445 177.584 -0.167 0.000 1.069 133 A CA 0.574 52.529 52.037 -0.137 0.000 0.763 133 A CB -0.158 18.770 19.000 -0.119 0.000 1.001 133 A HN 1.200 nan 8.150 nan 0.000 0.498 134 G N 1.996 110.711 108.800 -0.143 0.000 2.512 134 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 134 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 134 G C -0.382 174.407 174.900 -0.186 0.000 1.199 134 G CA 0.052 45.061 45.100 -0.152 0.000 0.941 134 G HN 0.938 nan 8.290 nan 0.000 0.569 135 D N 2.488 122.734 120.400 -0.257 0.000 2.458 135 D HA 0.235 4.875 4.640 -0.000 0.000 0.243 135 D C 1.214 177.224 176.300 -0.483 0.000 1.146 135 D CA 1.116 54.938 54.000 -0.296 0.000 0.877 135 D CB 0.028 40.634 40.800 -0.323 0.000 1.176 135 D HN 0.711 nan 8.370 nan 0.000 0.461 136 N N 1.033 119.624 118.700 -0.182 0.000 2.381 136 N HA -0.037 4.703 4.740 -0.000 0.000 0.257 136 N C -0.454 175.154 175.510 0.163 0.000 1.409 136 N CA -0.377 52.645 53.050 -0.046 0.000 0.836 136 N CB 0.492 38.949 38.487 -0.051 0.000 1.384 136 N HN 0.097 nan 8.380 nan 0.000 0.490 137 D N 1.813 122.310 120.400 0.162 0.000 2.740 137 D HA -0.177 4.463 4.640 -0.000 0.000 0.231 137 D C 1.121 177.603 176.300 0.304 0.000 1.194 137 D CA 1.778 55.900 54.000 0.204 0.000 0.673 137 D CB -1.521 39.444 40.800 0.275 0.000 0.995 137 D HN 0.766 nan 8.370 nan 0.000 0.411 138 G N -0.359 108.569 108.800 0.214 0.000 2.249 138 G HA2 0.054 4.014 3.960 -0.000 0.000 0.273 138 G HA3 0.054 4.014 3.960 -0.000 0.000 0.273 138 G C 1.433 176.429 174.900 0.159 0.000 1.036 138 G CA 0.893 46.111 45.100 0.198 0.000 0.824 138 G HN 1.822 nan 8.290 nan 0.000 0.504 139 G N -2.213 106.634 108.800 0.079 0.000 2.194 139 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 139 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 139 G C 0.823 175.610 174.900 -0.189 0.000 0.987 139 G CA 0.658 45.708 45.100 -0.083 0.000 0.635 139 G HN 0.973 nan 8.290 nan 0.000 0.520 140 F N 1.817 121.816 119.950 0.083 0.000 2.811 140 F HA 0.538 5.065 4.527 -0.000 0.000 0.301 140 F C 1.870 177.750 175.800 0.133 0.000 1.151 140 F CA 0.852 58.905 58.000 0.087 0.000 1.412 140 F CB 0.539 39.598 39.000 0.098 0.000 1.113 140 F HN 0.378 nan 8.300 nan 0.000 0.579 141 A N 1.015 123.986 122.820 0.253 0.000 2.736 141 A HA 0.549 4.868 4.320 -0.000 0.000 0.335 141 A C -0.325 177.298 177.584 0.064 0.000 1.446 141 A CA -0.412 51.779 52.037 0.256 0.000 1.028 141 A CB -0.567 18.640 19.000 0.344 0.000 1.154 141 A HN -0.032 nan 8.150 nan 0.000 0.507 142 V N 2.847 122.755 119.914 -0.010 0.000 2.488 142 V HA 0.160 4.280 4.120 -0.000 0.000 0.277 142 V C 1.382 177.356 176.094 -0.201 0.000 1.046 142 V CA 0.788 62.975 62.300 -0.188 0.000 0.986 142 V CB 0.960 32.556 31.823 -0.380 0.000 0.989 142 V HN 0.981 nan 8.190 nan 0.000 0.475 143 S N 1.363 116.928 115.700 -0.225 0.000 2.535 143 S HA 0.179 4.649 4.470 -0.000 0.000 0.214 143 S C 0.272 174.566 174.600 -0.509 0.000 0.980 143 S CA -0.091 57.959 58.200 -0.250 0.000 0.907 143 S CB 0.200 63.268 63.200 -0.220 0.000 0.790 143 S HN 0.777 nan 8.310 nan 0.000 0.510 144 D N -0.476 119.629 120.400 -0.490 0.000 2.614 144 D HA 0.220 4.860 4.640 -0.000 0.000 0.203 144 D C -0.994 175.107 176.300 -0.333 0.000 1.312 144 D CA -0.422 53.270 54.000 -0.513 0.000 0.889 144 D CB 0.652 41.231 40.800 -0.367 0.000 1.615 144 D HN -0.004 nan 8.370 nan 0.000 0.567 145 Y N 1.094 121.371 120.300 -0.040 0.000 2.544 145 Y HA 0.243 4.793 4.550 -0.000 0.000 0.286 145 Y C 2.209 178.136 175.900 0.046 0.000 1.141 145 Y CA 0.666 58.805 58.100 0.065 0.000 1.299 145 Y CB 0.798 39.379 38.460 0.200 0.000 1.030 145 Y HN 0.476 nan 8.280 nan 0.000 0.543 146 G N -1.005 107.857 108.800 0.104 0.000 3.690 146 G HA2 0.306 4.266 3.960 -0.000 0.000 0.283 146 G HA3 0.306 4.266 3.960 -0.000 0.000 0.283 146 G C -0.299 174.621 174.900 0.034 0.000 1.057 146 G CA 0.110 45.257 45.100 0.078 0.000 0.821 146 G HN 0.092 nan 8.290 nan 0.000 0.526 147 Q N -0.074 119.733 119.800 0.012 0.000 2.352 147 Q HA 0.438 4.778 4.340 -0.000 0.000 0.270 147 Q C -0.839 175.177 176.000 0.026 0.000 1.006 147 Q CA -0.492 55.316 55.803 0.009 0.000 0.880 147 Q CB 1.994 30.710 28.738 -0.036 0.000 1.392 147 Q HN -0.058 nan 8.270 nan 0.000 0.401 148 V N 2.534 122.492 119.914 0.075 0.000 2.811 148 V HA 0.190 4.310 4.120 -0.000 0.000 0.302 148 V C 0.302 176.433 176.094 0.062 0.000 1.063 148 V CA -0.362 62.016 62.300 0.129 0.000 1.088 148 V CB 1.231 33.148 31.823 0.155 0.000 0.982 148 V HN 0.834 nan 8.190 nan 0.000 0.485 149 E N 6.197 126.442 120.200 0.074 0.000 2.415 149 E HA 0.047 4.397 4.350 -0.000 0.000 0.260 149 E C -1.824 174.792 176.600 0.027 0.000 1.016 149 E CA -1.200 55.218 56.400 0.028 0.000 0.924 149 E CB 0.968 30.693 29.700 0.041 0.000 0.961 149 E HN 0.350 nan 8.360 nan 0.000 0.459 150 P HA -0.271 nan 4.420 nan 0.000 0.218 150 P C 0.986 178.288 177.300 0.003 0.000 1.154 150 P CA 2.054 65.152 63.100 -0.003 0.000 0.872 150 P CB 0.033 31.721 31.700 -0.019 0.000 0.790 151 S N -1.720 113.983 115.700 0.006 0.000 2.469 151 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 151 S C 1.690 176.303 174.600 0.022 0.000 0.998 151 S CA 0.980 59.186 58.200 0.010 0.000 0.957 151 S CB -1.269 61.939 63.200 0.012 0.000 0.764 151 S HN 0.128 nan 8.310 nan 0.000 0.514 152 L N 0.297 121.540 121.223 0.033 0.000 2.515 152 L HA 0.456 4.796 4.340 -0.000 0.000 0.223 152 L C 1.426 178.306 176.870 0.017 0.000 1.079 152 L CA 0.308 55.170 54.840 0.036 0.000 0.857 152 L CB -0.056 42.043 42.059 0.066 0.000 1.050 152 L HN 0.630 nan 8.230 nan 0.000 0.476 153 G N -0.247 108.563 108.800 0.017 0.000 2.278 153 G HA2 0.049 4.009 3.960 -0.000 0.000 0.265 153 G HA3 0.049 4.009 3.960 -0.000 0.000 0.265 153 G C -0.996 173.913 174.900 0.015 0.000 1.329 153 G CA -0.145 44.959 45.100 0.006 0.000 1.017 153 G HN 0.176 nan 8.290 nan 0.000 0.472 154 S N -1.336 114.370 115.700 0.011 0.000 2.811 154 S HA 0.610 5.080 4.470 -0.000 0.000 0.311 154 S C 0.919 175.534 174.600 0.025 0.000 1.152 154 S CA 0.143 58.354 58.200 0.018 0.000 0.864 154 S CB 1.562 64.765 63.200 0.005 0.000 1.226 154 S HN 0.625 nan 8.310 nan 0.000 0.541 155 N N 1.351 120.070 118.700 0.031 0.000 2.137 155 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 155 N C 1.206 176.727 175.510 0.019 0.000 1.017 155 N CA 1.874 54.947 53.050 0.038 0.000 0.859 155 N CB -0.882 37.629 38.487 0.039 0.000 1.002 155 N HN 0.848 nan 8.380 nan 0.000 0.428 156 D N 0.834 121.239 120.400 0.008 0.000 2.123 156 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 156 D C 1.061 177.356 176.300 -0.009 0.000 0.992 156 D CA 1.277 55.276 54.000 -0.001 0.000 0.833 156 D CB 0.003 40.800 40.800 -0.004 0.000 0.954 156 D HN 0.208 nan 8.370 nan 0.000 0.455 157 D N -0.042 120.351 120.400 -0.012 0.000 2.224 157 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 157 D C 2.201 178.476 176.300 -0.042 0.000 0.965 157 D CA 0.140 54.125 54.000 -0.026 0.000 0.852 157 D CB 0.004 40.789 40.800 -0.026 0.000 0.947 157 D HN 0.326 nan 8.370 nan 0.000 0.494 158 L N 1.067 122.269 121.223 -0.036 0.000 2.027 158 L HA -0.147 4.192 4.340 -0.000 0.000 0.206 158 L C 2.423 179.266 176.870 -0.044 0.000 1.074 158 L CA 0.910 55.714 54.840 -0.060 0.000 0.745 158 L CB -0.122 41.939 42.059 0.003 0.000 0.898 158 L HN -0.117 nan 8.230 nan 0.000 0.433 159 V N 0.289 120.192 119.914 -0.018 0.000 2.287 159 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 159 V C 2.802 178.882 176.094 -0.025 0.000 1.053 159 V CA 1.798 64.090 62.300 -0.015 0.000 1.027 159 V CB -0.982 30.838 31.823 -0.005 0.000 0.646 159 V HN 0.580 nan 8.190 nan 0.000 0.447 160 A N -0.704 122.099 122.820 -0.027 0.000 1.933 160 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 160 A C 2.276 179.839 177.584 -0.035 0.000 1.175 160 A CA 1.754 53.774 52.037 -0.028 0.000 0.628 160 A CB -0.463 18.521 19.000 -0.027 0.000 0.814 160 A HN 0.470 nan 8.150 nan 0.000 0.444 161 L N 0.235 121.429 121.223 -0.048 0.000 2.005 161 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 161 L C 2.923 179.761 176.870 -0.054 0.000 1.072 161 L CA 2.510 57.315 54.840 -0.058 0.000 0.744 161 L CB -0.820 41.179 42.059 -0.101 0.000 0.895 161 L HN 0.643 nan 8.230 nan 0.000 0.433 162 T N -4.105 110.413 114.554 -0.059 0.000 2.833 162 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 162 T C 1.936 176.613 174.700 -0.037 0.000 1.054 162 T CA 1.389 63.458 62.100 -0.052 0.000 1.135 162 T CB -0.370 68.469 68.868 -0.050 0.000 0.869 162 T HN 0.280 nan 8.240 nan 0.000 0.466 163 S N 1.391 117.072 115.700 -0.032 0.000 2.368 163 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 163 S C 2.159 176.746 174.600 -0.023 0.000 1.029 163 S CA 1.230 59.414 58.200 -0.026 0.000 0.988 163 S CB -0.367 62.819 63.200 -0.023 0.000 0.838 163 S HN 0.492 nan 8.310 nan 0.000 0.462 164 R N 1.599 122.086 120.500 -0.022 0.000 2.081 164 R HA 0.095 4.435 4.340 -0.000 0.000 0.235 164 R C 1.989 178.284 176.300 -0.009 0.000 1.131 164 R CA 1.279 57.371 56.100 -0.014 0.000 0.960 164 R CB -0.872 29.420 30.300 -0.013 0.000 0.856 164 R HN 0.389 nan 8.270 nan 0.000 0.436 165 L N 0.021 121.236 121.223 -0.013 0.000 2.046 165 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 165 L C 2.553 179.420 176.870 -0.004 0.000 1.077 165 L CA 1.588 56.425 54.840 -0.006 0.000 0.747 165 L CB -0.405 41.642 42.059 -0.019 0.000 0.896 165 L HN 0.203 nan 8.230 nan 0.000 0.432 166 R N 0.111 120.601 120.500 -0.017 0.000 2.152 166 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 166 R C 1.891 178.182 176.300 -0.016 0.000 1.117 166 R CA 1.009 57.096 56.100 -0.021 0.000 0.981 166 R CB -0.233 30.046 30.300 -0.035 0.000 0.870 166 R HN 0.498 nan 8.270 nan 0.000 0.451 167 E N -0.099 120.094 120.200 -0.012 0.000 2.409 167 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 167 E C 0.992 177.590 176.600 -0.002 0.000 1.024 167 E CA 0.770 57.164 56.400 -0.010 0.000 0.861 167 E CB 0.250 29.945 29.700 -0.009 0.000 0.788 167 E HN 0.298 nan 8.360 nan 0.000 0.521 168 A N -0.156 122.668 122.820 0.007 0.000 2.538 168 A HA 0.429 4.749 4.320 -0.000 0.000 0.269 168 A C 1.261 178.861 177.584 0.027 0.000 1.231 168 A CA 0.311 52.359 52.037 0.018 0.000 0.948 168 A CB 0.283 19.299 19.000 0.027 0.000 1.110 168 A HN 0.191 nan 8.150 nan 0.000 0.529 169 G N 0.139 108.950 108.800 0.019 0.000 2.221 169 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.265 169 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.265 169 G C -0.061 174.886 174.900 0.078 0.000 1.041 169 G CA 0.557 45.678 45.100 0.034 0.000 0.807 169 G HN 0.533 nan 8.290 nan 0.000 0.502 170 I N 0.858 121.463 120.570 0.060 0.000 2.377 170 I HA 0.388 4.558 4.170 -0.000 0.000 0.293 170 I C 0.292 176.439 176.117 0.051 0.000 0.987 170 I CA -0.613 60.735 61.300 0.080 0.000 1.185 170 I CB 1.925 39.957 38.000 0.053 0.000 1.341 170 I HN 0.071 nan 8.210 nan 0.000 0.455 171 S N 6.524 122.275 115.700 0.084 0.000 2.442 171 S HA 0.417 4.887 4.470 -0.000 0.000 0.297 171 S C -0.438 174.071 174.600 -0.151 0.000 1.131 171 S CA -0.524 57.688 58.200 0.021 0.000 1.092 171 S CB 1.311 64.638 63.200 0.211 0.000 0.998 171 S HN 0.366 nan 8.310 nan 0.000 0.478 172 L N 3.987 125.120 121.223 -0.150 0.000 2.290 172 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 172 L C -0.315 176.398 176.870 -0.263 0.000 1.078 172 L CA -0.238 54.491 54.840 -0.185 0.000 0.815 172 L CB 0.526 42.513 42.059 -0.121 0.000 1.162 172 L HN 0.824 nan 8.230 nan 0.000 0.435 173 C N 5.773 124.902 119.300 -0.285 0.000 2.303 173 C HA 0.912 5.371 4.460 -0.000 0.000 0.326 173 C C 0.182 175.192 174.990 0.034 0.000 1.285 173 C CA -0.216 58.656 59.018 -0.244 0.000 1.675 173 C CB -0.376 27.162 27.740 -0.337 0.000 2.289 173 C HN 1.043 nan 8.230 nan 0.000 0.512 174 A N 5.267 128.071 122.820 -0.025 0.000 2.365 174 A HA 0.624 4.944 4.320 -0.000 0.000 0.318 174 A C -0.592 177.073 177.584 0.134 0.000 1.091 174 A CA -0.431 51.681 52.037 0.126 0.000 0.763 174 A CB 0.720 19.778 19.000 0.096 0.000 1.248 174 A HN 0.897 nan 8.150 nan 0.000 0.442 175 D N 0.828 121.309 120.400 0.135 0.000 2.389 175 D HA 0.266 4.906 4.640 -0.000 0.000 0.247 175 D C -1.432 175.055 176.300 0.312 0.000 1.128 175 D CA 1.015 55.133 54.000 0.196 0.000 0.884 175 D CB 0.941 41.795 40.800 0.091 0.000 1.194 175 D HN 0.295 nan 8.370 nan 0.000 0.441 176 F N 3.164 123.225 119.950 0.185 0.000 2.532 176 F HA 0.166 4.693 4.527 -0.000 0.000 0.365 176 F C -0.606 175.286 175.800 0.154 0.000 1.112 176 F CA -1.101 57.011 58.000 0.187 0.000 1.082 176 F CB 0.792 39.910 39.000 0.197 0.000 1.319 176 F HN -0.045 nan 8.300 nan 0.000 0.457 177 V N 8.076 128.030 119.914 0.067 0.000 2.302 177 V HA -0.038 4.082 4.120 -0.000 0.000 0.244 177 V C 0.972 176.927 176.094 -0.233 0.000 1.160 177 V CA -0.101 62.176 62.300 -0.038 0.000 1.127 177 V CB -0.393 31.443 31.823 0.022 0.000 1.253 177 V HN 0.635 nan 8.190 nan 0.000 0.496 178 L N 2.198 123.230 121.223 -0.319 0.000 2.418 178 L HA 0.203 4.543 4.340 -0.000 0.000 0.218 178 L C 1.674 178.652 176.870 0.180 0.000 1.125 178 L CA 1.027 55.733 54.840 -0.223 0.000 0.835 178 L CB -1.462 40.427 42.059 -0.283 0.000 0.953 178 L HN 0.468 nan 8.230 nan 0.000 0.454 179 N N -0.211 118.547 118.700 0.096 0.000 2.300 179 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 179 N C 0.207 175.992 175.510 0.458 0.000 1.016 179 N CA 0.778 54.021 53.050 0.323 0.000 0.876 179 N CB 0.173 38.913 38.487 0.422 0.000 0.979 179 N HN 0.718 nan 8.380 nan 0.000 0.432 180 H N -3.544 115.736 119.070 0.349 0.000 3.042 180 H HA 0.387 4.943 4.556 -0.000 0.000 0.346 180 H C -1.056 174.498 175.328 0.377 0.000 1.294 180 H CA -0.730 55.553 56.048 0.393 0.000 1.141 180 H CB 0.633 30.627 29.762 0.386 0.000 1.872 180 H HN 0.041 nan 8.280 nan 0.000 0.541 181 T N -1.443 113.399 114.554 0.479 0.000 2.910 181 T HA 0.774 5.124 4.350 -0.000 0.000 0.287 181 T C 0.306 175.144 174.700 0.230 0.000 1.050 181 T CA -0.393 61.876 62.100 0.282 0.000 1.011 181 T CB 1.727 70.707 68.868 0.186 0.000 1.195 181 T HN 0.940 nan 8.240 nan 0.000 0.540 182 A N 1.097 123.976 122.820 0.098 0.000 2.366 182 A HA 0.415 4.735 4.320 -0.000 0.000 0.249 182 A C 1.054 178.495 177.584 -0.238 0.000 1.084 182 A CA -0.103 51.946 52.037 0.020 0.000 0.794 182 A CB -0.203 18.783 19.000 -0.023 0.000 1.034 182 A HN 0.966 nan 8.150 nan 0.000 0.491 183 D N -0.025 120.102 120.400 -0.455 0.000 2.338 183 D HA -0.055 4.585 4.640 -0.000 0.000 0.239 183 D C 0.115 176.016 176.300 -0.665 0.000 1.095 183 D CA 0.740 54.088 54.000 -1.088 0.000 0.888 183 D CB 0.109 40.202 40.800 -1.179 0.000 0.899 183 D HN 0.533 nan 8.370 nan 0.000 0.525 184 D N -1.276 118.916 120.400 -0.347 0.000 2.563 184 D HA -0.061 4.579 4.640 -0.000 0.000 0.237 184 D C 0.335 176.535 176.300 -0.168 0.000 1.282 184 D CA -0.533 53.329 54.000 -0.230 0.000 0.816 184 D CB -0.895 39.794 40.800 -0.185 0.000 1.066 184 D HN 0.229 nan 8.370 nan 0.000 0.501 185 H N 1.047 119.976 119.070 -0.234 0.000 2.771 185 H HA 0.304 4.860 4.556 -0.000 0.000 0.364 185 H C 1.226 176.450 175.328 -0.173 0.000 1.133 185 H CA 0.884 56.806 56.048 -0.210 0.000 1.423 185 H CB 1.845 31.526 29.762 -0.135 0.000 1.425 185 H HN 0.047 nan 8.280 nan 0.000 0.606 186 A N 4.900 127.451 122.820 -0.448 0.000 1.948 186 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 186 A C 2.136 179.733 177.584 0.021 0.000 1.177 186 A CA 1.383 53.271 52.037 -0.248 0.000 0.636 186 A CB -0.753 18.003 19.000 -0.407 0.000 0.815 186 A HN 0.812 nan 8.150 nan 0.000 0.449 187 W N -0.566 120.874 121.300 0.234 0.000 2.358 187 W HA -0.036 4.624 4.660 -0.000 0.000 0.303 187 W C 2.804 179.489 176.519 0.276 0.000 1.208 187 W CA 0.775 58.151 57.345 0.052 0.000 1.274 187 W CB -1.293 28.238 29.460 0.118 0.000 1.138 187 W HN 0.461 nan 8.180 nan 0.000 0.515 188 A N 0.041 123.180 122.820 0.532 0.000 1.930 188 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 188 A C 2.018 179.692 177.584 0.150 0.000 1.175 188 A CA 1.314 53.494 52.037 0.237 0.000 0.627 188 A CB -0.643 18.134 19.000 -0.371 0.000 0.815 188 A HN 0.171 nan 8.150 nan 0.000 0.443 189 Q N -0.425 119.416 119.800 0.067 0.000 2.119 189 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 189 Q C 2.383 178.425 176.000 0.070 0.000 0.972 189 Q CA 1.489 57.308 55.803 0.027 0.000 0.847 189 Q CB -0.689 28.029 28.738 -0.033 0.000 0.903 189 Q HN 0.659 nan 8.270 nan 0.000 0.433 190 A N 1.123 124.000 122.820 0.095 0.000 1.898 190 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 190 A C 2.346 180.030 177.584 0.166 0.000 1.181 190 A CA 1.758 53.867 52.037 0.121 0.000 0.620 190 A CB -0.629 18.440 19.000 0.116 0.000 0.819 190 A HN 0.349 nan 8.150 nan 0.000 0.442 191 A N -0.076 122.880 122.820 0.226 0.000 1.902 191 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 191 A C 2.230 179.883 177.584 0.114 0.000 1.181 191 A CA 1.563 53.713 52.037 0.187 0.000 0.623 191 A CB -0.488 18.686 19.000 0.290 0.000 0.818 191 A HN 0.545 nan 8.150 nan 0.000 0.443 192 R N -0.591 119.994 120.500 0.143 0.000 2.096 192 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 192 R C 2.077 178.409 176.300 0.052 0.000 1.127 192 R CA 1.168 57.324 56.100 0.094 0.000 0.968 192 R CB -0.394 29.961 30.300 0.092 0.000 0.861 192 R HN 0.487 nan 8.270 nan 0.000 0.440 193 A N -0.103 122.752 122.820 0.058 0.000 2.238 193 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 193 A C 1.290 178.899 177.584 0.041 0.000 1.177 193 A CA 0.769 52.832 52.037 0.044 0.000 0.804 193 A CB -0.056 18.971 19.000 0.045 0.000 0.823 193 A HN 0.471 nan 8.150 nan 0.000 0.482 194 G N -0.596 108.227 108.800 0.038 0.000 2.141 194 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.231 194 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.231 194 G C -0.127 174.790 174.900 0.028 0.000 0.984 194 G CA 0.165 45.279 45.100 0.023 0.000 0.660 194 G HN 0.548 nan 8.290 nan 0.000 0.525 195 D N 0.955 121.390 120.400 0.059 0.000 2.374 195 D HA 0.562 5.202 4.640 -0.000 0.000 0.240 195 D C 1.633 177.941 176.300 0.012 0.000 1.229 195 D CA 0.495 54.532 54.000 0.063 0.000 0.895 195 D CB 0.807 41.707 40.800 0.168 0.000 1.046 195 D HN 0.373 nan 8.370 nan 0.000 0.498 196 A N 5.333 128.137 122.820 -0.028 0.000 1.940 196 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 196 A C 2.164 179.691 177.584 -0.095 0.000 1.176 196 A CA 1.357 53.358 52.037 -0.059 0.000 0.631 196 A CB -0.294 18.684 19.000 -0.037 0.000 0.814 196 A HN 0.690 nan 8.150 nan 0.000 0.446 197 R N -1.757 118.650 120.500 -0.156 0.000 2.080 197 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 197 R C 1.725 177.781 176.300 -0.406 0.000 1.137 197 R CA 2.188 58.104 56.100 -0.306 0.000 0.943 197 R CB -0.419 29.588 30.300 -0.489 0.000 0.846 197 R HN 0.553 nan 8.270 nan 0.000 0.431 198 Y N 0.336 120.524 120.300 -0.186 0.000 2.519 198 Y HA -0.002 4.548 4.550 -0.000 0.000 0.287 198 Y C 1.976 177.849 175.900 -0.045 0.000 1.128 198 Y CA 0.302 58.203 58.100 -0.332 0.000 1.282 198 Y CB -0.108 38.206 38.460 -0.244 0.000 1.027 198 Y HN 0.117 nan 8.280 nan 0.000 0.551 199 L N -0.054 121.211 121.223 0.071 0.000 2.093 199 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 199 L C 1.093 177.937 176.870 -0.044 0.000 1.085 199 L CA 1.666 56.489 54.840 -0.028 0.000 0.755 199 L CB -0.209 41.674 42.059 -0.293 0.000 0.904 199 L HN 0.137 nan 8.230 nan 0.000 0.435 200 D N -1.076 119.317 120.400 -0.010 0.000 2.392 200 D HA -0.152 4.488 4.640 -0.000 0.000 0.228 200 D C 1.459 177.755 176.300 -0.006 0.000 1.003 200 D CA 0.673 54.717 54.000 0.074 0.000 0.917 200 D CB 0.043 40.859 40.800 0.025 0.000 0.890 200 D HN 0.348 nan 8.370 nan 0.000 0.532 201 Y N -0.767 119.351 120.300 -0.305 0.000 2.544 201 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 201 Y C 0.143 175.608 175.900 -0.724 0.000 1.141 201 Y CA 0.139 57.864 58.100 -0.625 0.000 1.299 201 Y CB -0.109 37.841 38.460 -0.849 0.000 1.030 201 Y HN -0.089 nan 8.280 nan 0.000 0.543 202 Y N -1.923 118.393 120.300 0.026 0.000 2.587 202 Y HA 0.381 4.931 4.550 -0.000 0.000 0.337 202 Y C -0.280 175.578 175.900 -0.070 0.000 1.065 202 Y CA -1.741 56.374 58.100 0.025 0.000 1.126 202 Y CB 0.631 39.190 38.460 0.165 0.000 1.279 202 Y HN -0.167 nan 8.280 nan 0.000 0.489 203 H N 2.052 121.243 119.070 0.201 0.000 2.934 203 H HA 0.188 4.744 4.556 -0.000 0.000 0.273 203 H C -0.446 174.830 175.328 -0.088 0.000 1.121 203 H CA -0.172 55.886 56.048 0.015 0.000 1.451 203 H CB -0.207 29.692 29.762 0.229 0.000 1.469 203 H HN 0.466 nan 8.280 nan 0.000 0.476 204 H N 2.064 120.884 119.070 -0.417 0.000 2.622 204 H HA 0.419 4.974 4.556 -0.000 0.000 0.363 204 H C -1.408 173.474 175.328 -0.744 0.000 1.151 204 H CA -1.227 54.589 56.048 -0.385 0.000 1.184 204 H CB 1.207 30.846 29.762 -0.205 0.000 1.643 204 H HN 0.328 nan 8.280 nan 0.000 0.531 205 F N -0.066 120.030 119.950 0.244 0.000 2.569 205 F HA 0.493 5.019 4.527 -0.000 0.000 0.312 205 F C 1.134 177.118 175.800 0.306 0.000 1.109 205 F CA -0.544 57.574 58.000 0.196 0.000 0.919 205 F CB 2.071 41.176 39.000 0.175 0.000 1.211 205 F HN 0.749 nan 8.300 nan 0.000 0.446 206 A N 1.143 124.199 122.820 0.392 0.000 1.940 206 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 206 A C 0.199 178.084 177.584 0.502 0.000 1.176 206 A CA 2.249 54.507 52.037 0.369 0.000 0.631 206 A CB -0.886 18.261 19.000 0.246 0.000 0.814 206 A HN 0.877 nan 8.150 nan 0.000 0.446 207 D N -5.398 115.267 120.400 0.442 0.000 2.677 207 D HA 0.391 5.031 4.640 -0.000 0.000 0.298 207 D C 0.359 176.609 176.300 -0.084 0.000 1.250 207 D CA -0.861 53.356 54.000 0.363 0.000 0.888 207 D CB 0.294 41.206 40.800 0.187 0.000 1.397 207 D HN -0.235 nan 8.370 nan 0.000 0.461 208 R N -0.428 119.825 120.500 -0.411 0.000 2.328 208 R HA 0.018 4.357 4.340 -0.000 0.000 0.207 208 R C 1.099 177.078 176.300 -0.536 0.000 1.056 208 R CA 0.770 56.404 56.100 -0.776 0.000 1.016 208 R CB -0.765 29.070 30.300 -0.775 0.000 0.872 208 R HN 0.635 nan 8.270 nan 0.000 0.471 209 T N 0.441 114.805 114.554 -0.316 0.000 2.607 209 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 209 T C 1.949 176.448 174.700 -0.335 0.000 1.049 209 T CA 1.839 63.784 62.100 -0.259 0.000 1.162 209 T CB -0.252 68.532 68.868 -0.140 0.000 0.863 209 T HN 0.011 nan 8.240 nan 0.000 0.424 210 V N 2.153 121.856 119.914 -0.351 0.000 2.379 210 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 210 V C -0.588 175.100 176.094 -0.677 0.000 1.044 210 V CA 1.475 63.514 62.300 -0.436 0.000 1.036 210 V CB -1.430 30.221 31.823 -0.288 0.000 0.664 210 V HN 0.355 nan 8.190 nan 0.000 0.453 211 P HA -0.125 nan 4.420 nan 0.000 0.216 211 P C 1.149 177.855 177.300 -0.989 0.000 1.150 211 P CA 1.443 63.597 63.100 -1.578 0.000 0.837 211 P CB -0.031 30.404 31.700 -2.107 0.000 0.786 212 D N -1.070 118.903 120.400 -0.712 0.000 2.144 212 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 212 D C 2.041 178.138 176.300 -0.338 0.000 0.984 212 D CA 1.012 54.733 54.000 -0.466 0.000 0.834 212 D CB -0.398 40.177 40.800 -0.374 0.000 0.955 212 D HN 0.184 nan 8.370 nan 0.000 0.465 213 R N -0.463 119.824 120.500 -0.354 0.000 2.081 213 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 213 R C 2.326 178.472 176.300 -0.257 0.000 1.131 213 R CA 0.849 56.769 56.100 -0.300 0.000 0.960 213 R CB -0.357 29.732 30.300 -0.352 0.000 0.856 213 R HN 0.285 nan 8.270 nan 0.000 0.436 214 Y N 1.443 121.583 120.300 -0.267 0.000 2.133 214 Y HA -0.160 4.390 4.550 -0.000 0.000 0.287 214 Y C 2.458 178.288 175.900 -0.117 0.000 1.134 214 Y CA 1.203 59.213 58.100 -0.149 0.000 1.133 214 Y CB -0.322 38.029 38.460 -0.182 0.000 0.987 214 Y HN 0.010 nan 8.280 nan 0.000 0.502 215 E N -0.146 120.044 120.200 -0.015 0.000 2.233 215 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 215 E C 2.331 178.910 176.600 -0.034 0.000 1.004 215 E CA 1.031 57.411 56.400 -0.032 0.000 0.819 215 E CB -0.404 29.222 29.700 -0.124 0.000 0.738 215 E HN 0.478 nan 8.360 nan 0.000 0.478 216 A N 1.144 123.927 122.820 -0.062 0.000 1.986 216 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 216 A C 2.300 179.873 177.584 -0.018 0.000 1.171 216 A CA 2.245 54.249 52.037 -0.054 0.000 0.640 216 A CB -0.506 18.448 19.000 -0.076 0.000 0.811 216 A HN 0.366 nan 8.150 nan 0.000 0.451 217 T N -3.611 110.952 114.554 0.014 0.000 3.044 217 T HA 0.552 4.902 4.350 -0.000 0.000 0.260 217 T C 0.410 175.147 174.700 0.062 0.000 1.019 217 T CA -0.406 61.715 62.100 0.035 0.000 0.921 217 T CB -0.291 68.604 68.868 0.045 0.000 1.053 217 T HN 0.180 nan 8.240 nan 0.000 0.533 218 L N 1.026 122.290 121.223 0.069 0.000 2.479 218 L HA 0.725 5.065 4.340 -0.000 0.000 0.249 218 L C 1.093 177.991 176.870 0.047 0.000 1.178 218 L CA -0.796 54.094 54.840 0.083 0.000 0.811 218 L CB 0.571 42.684 42.059 0.089 0.000 1.187 218 L HN 0.359 nan 8.230 nan 0.000 0.480 219 G N -0.635 108.195 108.800 0.050 0.000 3.013 219 G HA2 0.552 4.511 3.960 -0.000 0.000 0.278 219 G HA3 0.552 4.511 3.960 -0.000 0.000 0.278 219 G C -1.463 173.440 174.900 0.006 0.000 1.353 219 G CA -0.429 44.689 45.100 0.030 0.000 1.043 219 G HN 0.361 nan 8.290 nan 0.000 0.523 220 Q N 0.131 119.928 119.800 -0.005 0.000 2.322 220 Q HA 0.490 4.830 4.340 -0.000 0.000 0.265 220 Q C 0.135 176.113 176.000 -0.037 0.000 0.985 220 Q CA -0.682 55.100 55.803 -0.035 0.000 0.849 220 Q CB 1.961 30.682 28.738 -0.028 0.000 1.274 220 Q HN 0.618 nan 8.270 nan 0.000 0.449 229 N N 0.063 118.711 118.700 -0.087 0.000 2.118 229 N HA 0.292 5.032 4.740 -0.000 0.000 0.226 229 N C -0.991 174.056 175.510 -0.772 0.000 1.305 229 N CA 0.203 53.016 53.050 -0.396 0.000 0.890 229 N CB 1.155 39.322 38.487 -0.532 0.000 1.118 229 N HN 0.250 nan 8.380 nan 0.000 0.511 230 F N 0.274 120.154 119.950 -0.118 0.000 2.578 230 F HA 0.422 4.949 4.527 -0.000 0.000 0.311 230 F C -0.058 175.927 175.800 0.308 0.000 1.094 230 F CA -0.543 57.494 58.000 0.061 0.000 0.923 230 F CB 2.190 41.189 39.000 -0.001 0.000 1.230 230 F HN -0.380 nan 8.300 nan 0.000 0.450 231 T N 2.272 117.110 114.554 0.475 0.000 2.879 231 T HA 0.126 4.476 4.350 -0.000 0.000 0.290 231 T C -1.344 173.405 174.700 0.081 0.000 0.993 231 T CA -0.553 61.733 62.100 0.311 0.000 0.975 231 T CB 1.228 70.218 68.868 0.203 0.000 0.981 231 T HN 0.606 nan 8.240 nan 0.000 0.439 232 W N 4.970 126.002 121.300 -0.446 0.000 2.238 232 W HA 0.523 5.183 4.660 -0.000 0.000 0.321 232 W C -1.711 174.604 176.519 -0.340 0.000 1.293 232 W CA -0.451 56.404 57.345 -0.815 0.000 1.204 232 W CB 0.514 29.223 29.460 -1.252 0.000 1.167 232 W HN 0.314 nan 8.180 nan 0.000 0.553 233 V N 7.867 127.065 119.914 -1.193 0.000 2.443 233 V HA 0.026 4.146 4.120 -0.000 0.000 0.293 233 V C 0.889 176.449 176.094 -0.890 0.000 1.021 233 V CA -0.575 61.300 62.300 -0.708 0.000 0.848 233 V CB 1.526 33.116 31.823 -0.389 0.000 0.998 233 V HN 0.589 nan 8.190 nan 0.000 0.424 234 D N 2.261 122.442 120.400 -0.364 0.000 2.106 234 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 234 D C 1.444 177.674 176.300 -0.116 0.000 0.997 234 D CA 1.891 55.844 54.000 -0.079 0.000 0.834 234 D CB 0.215 41.077 40.800 0.104 0.000 0.956 234 D HN 0.631 nan 8.370 nan 0.000 0.448 235 D N -0.256 120.096 120.400 -0.079 0.000 2.149 235 D HA -0.125 4.514 4.640 -0.000 0.000 0.198 235 D C 2.186 178.435 176.300 -0.084 0.000 0.990 235 D CA 1.918 55.896 54.000 -0.037 0.000 0.839 235 D CB -0.447 40.367 40.800 0.023 0.000 0.948 235 D HN 0.374 nan 8.370 nan 0.000 0.460 236 T N -2.733 111.707 114.554 -0.190 0.000 3.057 236 T HA 0.395 4.745 4.350 -0.000 0.000 0.254 236 T C 1.228 175.743 174.700 -0.308 0.000 1.094 236 T CA 0.669 62.631 62.100 -0.231 0.000 1.088 236 T CB 0.133 68.811 68.868 -0.316 0.000 0.934 236 T HN 0.200 nan 8.240 nan 0.000 0.497 237 A N 0.676 123.208 122.820 -0.479 0.000 2.791 237 A HA -0.111 4.209 4.320 -0.000 0.000 0.292 237 A C 0.186 177.392 177.584 -0.630 0.000 1.487 237 A CA 0.910 52.646 52.037 -0.501 0.000 0.760 237 A CB -2.066 16.924 19.000 -0.016 0.000 1.031 237 A HN 0.676 nan 8.150 nan 0.000 0.503 238 Q N -2.625 116.570 119.800 -1.007 0.000 2.511 238 Q HA 0.579 4.919 4.340 -0.000 0.000 0.289 238 Q C -0.423 175.279 176.000 -0.497 0.000 1.021 238 Q CA -0.588 54.957 55.803 -0.430 0.000 0.785 238 Q CB 0.967 29.630 28.738 -0.125 0.000 1.472 238 Q HN 0.518 nan 8.270 nan 0.000 0.411 242 T N 1.286 115.888 114.554 0.080 0.000 3.133 242 T HA 0.260 4.609 4.350 -0.000 0.000 0.368 242 T C 0.536 175.198 174.700 -0.065 0.000 1.190 242 T CA -0.160 62.009 62.100 0.115 0.000 1.282 242 T CB 1.177 70.124 68.868 0.133 0.000 1.042 242 T HN 0.178 nan 8.240 nan 0.000 0.536 243 T N 2.070 116.559 114.554 -0.109 0.000 2.746 243 T HA 0.072 4.422 4.350 -0.000 0.000 0.267 243 T C 0.516 174.731 174.700 -0.809 0.000 1.039 243 T CA 1.467 63.265 62.100 -0.503 0.000 1.142 243 T CB -0.284 68.067 68.868 -0.861 0.000 0.866 243 T HN 0.544 nan 8.240 nan 0.000 0.444 244 F N -1.040 118.707 119.950 -0.337 0.000 2.812 244 F HA 0.433 4.960 4.527 -0.000 0.000 0.156 244 F C 0.429 175.974 175.800 -0.425 0.000 1.267 244 F CA -1.369 56.372 58.000 -0.432 0.000 0.923 244 F CB -0.671 38.039 39.000 -0.484 0.000 2.108 244 F HN -0.094 nan 8.300 nan 0.000 0.583 245 Y N 1.557 121.805 120.300 -0.088 0.000 2.379 245 Y HA 0.151 4.701 4.550 -0.000 0.000 0.337 245 Y C -1.420 174.318 175.900 -0.269 0.000 1.238 245 Y CA -1.492 56.400 58.100 -0.345 0.000 1.405 245 Y CB -0.451 37.428 38.460 -0.968 0.000 1.310 245 Y HN 0.088 nan 8.280 nan 0.000 0.569 246 P HA -0.195 nan 4.420 nan 0.000 0.221 246 P C 0.208 177.663 177.300 0.259 0.000 1.145 246 P CA 1.581 64.773 63.100 0.153 0.000 0.795 246 P CB -0.133 31.687 31.700 0.199 0.000 0.775 247 Y N -2.174 118.282 120.300 0.259 0.000 2.470 247 Y HA 0.391 4.941 4.550 -0.000 0.000 0.284 247 Y C 0.213 176.161 175.900 0.079 0.000 1.188 247 Y CA -0.715 57.460 58.100 0.124 0.000 1.269 247 Y CB -1.179 37.311 38.460 0.050 0.000 1.094 247 Y HN -0.083 nan 8.280 nan 0.000 0.518 248 Q N 1.067 120.987 119.800 0.201 0.000 2.363 248 Q HA 0.212 4.552 4.340 -0.000 0.000 0.265 248 Q C -1.570 174.704 176.000 0.457 0.000 1.032 248 Q CA -0.669 55.312 55.803 0.295 0.000 0.746 248 Q CB 0.949 29.830 28.738 0.238 0.000 1.237 248 Q HN 0.291 nan 8.270 nan 0.000 0.475 249 W N 2.061 123.512 121.300 0.252 0.000 2.338 249 W HA 0.242 4.902 4.660 -0.000 0.000 0.307 249 W C -0.238 176.559 176.519 0.463 0.000 1.167 249 W CA -1.339 56.155 57.345 0.248 0.000 1.208 249 W CB 0.380 29.809 29.460 -0.052 0.000 1.228 249 W HN 0.486 nan 8.180 nan 0.000 0.499 250 D N 2.417 123.180 120.400 0.606 0.000 2.417 250 D HA 0.081 4.721 4.640 -0.000 0.000 0.250 250 D C 0.400 177.013 176.300 0.522 0.000 1.166 250 D CA 0.028 54.316 54.000 0.481 0.000 0.881 250 D CB 0.762 41.640 40.800 0.130 0.000 1.164 250 D HN -0.150 nan 8.370 nan 0.000 0.467 251 L N 2.657 124.117 121.223 0.393 0.000 2.452 251 L HA 0.132 4.472 4.340 -0.000 0.000 0.267 251 L C 0.790 177.592 176.870 -0.113 0.000 1.188 251 L CA 0.032 54.890 54.840 0.030 0.000 0.821 251 L CB 0.361 42.327 42.059 -0.155 0.000 1.102 251 L HN 0.418 nan 8.230 nan 0.000 0.470 252 N N 1.663 120.043 118.700 -0.533 0.000 2.602 252 N HA 0.016 4.756 4.740 -0.000 0.000 0.238 252 N C 0.411 175.616 175.510 -0.508 0.000 1.084 252 N CA -0.191 52.347 53.050 -0.855 0.000 0.952 252 N CB 0.123 38.053 38.487 -0.928 0.000 1.244 252 N HN 0.388 nan 8.380 nan 0.000 0.512 253 W N 1.352 122.492 121.300 -0.268 0.000 2.961 253 W HA -0.015 4.645 4.660 -0.000 0.000 0.240 253 W C 2.092 178.616 176.519 0.008 0.000 1.305 253 W CA 0.263 57.558 57.345 -0.084 0.000 1.465 253 W CB -0.123 29.394 29.460 0.094 0.000 1.135 253 W HN 0.572 nan 8.180 nan 0.000 0.688 254 S N -0.777 114.845 115.700 -0.130 0.000 2.562 254 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 254 S C 0.756 175.412 174.600 0.094 0.000 0.975 254 S CA 0.041 58.206 58.200 -0.059 0.000 0.918 254 S CB -0.314 62.666 63.200 -0.366 0.000 0.772 254 S HN 0.137 nan 8.310 nan 0.000 0.531 255 N N 3.101 121.681 118.700 -0.201 0.000 2.414 255 N HA 0.297 5.037 4.740 -0.000 0.000 0.256 255 N C -1.651 173.398 175.510 -0.769 0.000 1.029 255 N CA -2.339 50.441 53.050 -0.449 0.000 0.948 255 N CB 1.654 39.810 38.487 -0.551 0.000 1.102 255 N HN 0.035 nan 8.380 nan 0.000 0.496 256 P HA -0.147 nan 4.420 nan 0.000 0.219 256 P C 0.793 177.262 177.300 -1.384 0.000 1.146 256 P CA 0.967 62.836 63.100 -2.053 0.000 0.808 256 P CB 0.253 30.384 31.700 -2.615 0.000 0.779 257 A N -0.078 122.149 122.820 -0.989 0.000 1.972 257 A HA -0.087 4.232 4.320 -0.000 0.000 0.219 257 A C 2.463 179.595 177.584 -0.754 0.000 1.169 257 A CA 1.501 53.208 52.037 -0.551 0.000 0.635 257 A CB -1.538 17.200 19.000 -0.438 0.000 0.810 257 A HN 0.080 nan 8.150 nan 0.000 0.446 258 V N -1.240 118.004 119.914 -1.116 0.000 2.307 258 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 258 V C 2.243 177.809 176.094 -0.880 0.000 1.045 258 V CA 2.055 63.606 62.300 -1.248 0.000 1.024 258 V CB -0.921 30.098 31.823 -1.340 0.000 0.651 258 V HN 0.661 nan 8.190 nan 0.000 0.449 259 F N 1.985 121.478 119.950 -0.761 0.000 2.095 259 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 259 F C 2.174 177.864 175.800 -0.183 0.000 1.104 259 F CA 1.851 59.649 58.000 -0.337 0.000 1.232 259 F CB -0.944 38.021 39.000 -0.058 0.000 0.987 259 F HN 0.133 nan 8.300 nan 0.000 0.475 260 G N -0.060 108.733 108.800 -0.012 0.000 2.446 260 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.217 260 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.217 260 G C 0.600 175.637 174.900 0.229 0.000 1.168 260 G CA 0.885 45.968 45.100 -0.029 0.000 0.771 260 G HN 0.325 nan 8.290 nan 0.000 0.551 264 L N 1.039 122.427 121.223 0.275 0.000 2.056 264 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 264 L C 1.982 178.932 176.870 0.132 0.000 1.078 264 L CA 0.928 55.898 54.840 0.215 0.000 0.749 264 L CB -0.612 41.609 42.059 0.271 0.000 0.901 264 L HN 0.576 nan 8.230 nan 0.000 0.433 268 R N 0.861 121.393 120.500 0.054 0.000 2.092 268 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 268 R C 2.015 178.373 176.300 0.096 0.000 1.119 268 R CA 1.344 57.487 56.100 0.072 0.000 0.970 268 R CB -0.144 30.203 30.300 0.079 0.000 0.864 268 R HN 0.293 nan 8.270 nan 0.000 0.440 269 L N 0.242 121.538 121.223 0.122 0.000 2.046 269 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 269 L C 2.706 179.696 176.870 0.199 0.000 1.077 269 L CA 1.184 56.134 54.840 0.184 0.000 0.747 269 L CB -0.573 41.648 42.059 0.270 0.000 0.896 269 L HN 0.227 nan 8.230 nan 0.000 0.432 270 A N 0.147 123.136 122.820 0.281 0.000 1.902 270 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 270 A C 1.952 179.601 177.584 0.108 0.000 1.181 270 A CA 1.911 54.084 52.037 0.227 0.000 0.623 270 A CB -0.552 18.612 19.000 0.274 0.000 0.818 270 A HN 0.426 nan 8.150 nan 0.000 0.443 271 N N -0.132 118.623 118.700 0.091 0.000 2.453 271 N HA 0.001 4.740 4.740 -0.000 0.000 0.183 271 N C 1.142 176.678 175.510 0.043 0.000 1.041 271 N CA 0.716 53.799 53.050 0.055 0.000 0.900 271 N CB -0.283 38.231 38.487 0.045 0.000 0.961 271 N HN 0.522 nan 8.380 nan 0.000 0.443 272 L N -1.197 120.060 121.223 0.056 0.000 2.592 272 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 272 L C 1.209 178.093 176.870 0.024 0.000 1.127 272 L CA 0.237 55.104 54.840 0.044 0.000 0.884 272 L CB -0.013 42.087 42.059 0.068 0.000 1.065 272 L HN 0.205 nan 8.230 nan 0.000 0.457 273 G N -0.470 108.340 108.800 0.017 0.000 2.211 273 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.201 273 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.201 273 G C 0.250 175.124 174.900 -0.044 0.000 0.997 273 G CA -0.243 44.849 45.100 -0.014 0.000 0.652 273 G HN 0.022 nan 8.290 nan 0.000 0.500 274 V N 1.392 121.276 119.914 -0.051 0.000 2.485 274 V HA 0.246 4.366 4.120 -0.000 0.000 0.287 274 V C 1.268 177.214 176.094 -0.246 0.000 1.022 274 V CA 1.265 63.451 62.300 -0.190 0.000 1.067 274 V CB 1.237 32.875 31.823 -0.308 0.000 0.967 274 V HN 0.491 nan 8.190 nan 0.000 0.479 275 E N 2.930 122.990 120.200 -0.233 0.000 2.489 275 E HA 0.427 4.776 4.350 -0.000 0.000 0.204 275 E C 0.359 176.903 176.600 -0.092 0.000 1.006 275 E CA 0.289 56.626 56.400 -0.106 0.000 0.936 275 E CB 1.075 30.768 29.700 -0.012 0.000 1.002 275 E HN 0.788 nan 8.360 nan 0.000 0.488 276 A N 0.805 123.436 122.820 -0.316 0.000 2.455 276 A HA 0.637 4.957 4.320 -0.000 0.000 0.300 276 A C -1.574 175.770 177.584 -0.400 0.000 1.040 276 A CA -0.569 51.355 52.037 -0.188 0.000 0.697 276 A CB 0.787 19.743 19.000 -0.073 0.000 1.265 276 A HN 0.063 nan 8.150 nan 0.000 0.407 277 F N 1.049 121.043 119.950 0.074 0.000 2.477 277 F HA 0.538 5.065 4.527 -0.000 0.000 0.335 277 F C 0.676 176.546 175.800 0.117 0.000 1.130 277 F CA -0.305 57.749 58.000 0.089 0.000 0.948 277 F CB 2.060 41.104 39.000 0.073 0.000 1.154 277 F HN 0.650 nan 8.300 nan 0.000 0.439 278 R N 4.876 125.533 120.500 0.262 0.000 2.248 278 R HA 0.416 4.756 4.340 -0.000 0.000 0.337 278 R C -1.046 175.400 176.300 0.242 0.000 1.106 278 R CA -0.370 55.847 56.100 0.194 0.000 0.959 278 R CB 0.156 30.503 30.300 0.079 0.000 1.075 278 R HN 0.713 nan 8.270 nan 0.000 0.480 279 L N 5.353 126.699 121.223 0.206 0.000 2.407 279 L HA 0.166 4.506 4.340 -0.000 0.000 0.282 279 L C -0.172 176.742 176.870 0.073 0.000 1.110 279 L CA -0.099 54.839 54.840 0.163 0.000 0.863 279 L CB 0.405 42.539 42.059 0.125 0.000 1.207 279 L HN 0.479 nan 8.230 nan 0.000 0.454 280 D N 2.204 122.653 120.400 0.081 0.000 2.210 280 D HA 0.142 4.782 4.640 -0.000 0.000 0.249 280 D C 0.624 176.955 176.300 0.053 0.000 1.078 280 D CA -0.204 53.826 54.000 0.050 0.000 0.875 280 D CB 1.684 42.552 40.800 0.113 0.000 1.175 280 D HN 0.491 nan 8.370 nan 0.000 0.440 281 S N 0.120 115.879 115.700 0.097 0.000 3.682 281 S HA -0.207 4.263 4.470 -0.000 0.000 0.354 281 S C 1.491 176.271 174.600 0.299 0.000 1.034 281 S CA 1.000 59.380 58.200 0.300 0.000 1.084 281 S CB -1.680 61.739 63.200 0.365 0.000 0.903 281 S HN 0.747 nan 8.310 nan 0.000 0.470 282 T N -1.826 112.810 114.554 0.136 0.000 2.962 282 T HA 0.154 4.504 4.350 -0.000 0.000 0.270 282 T C 1.896 176.607 174.700 0.019 0.000 1.088 282 T CA 0.972 63.096 62.100 0.041 0.000 1.127 282 T CB -0.292 68.603 68.868 0.045 0.000 0.883 282 T HN 0.759 nan 8.240 nan 0.000 0.493 283 A N 0.816 123.661 122.820 0.042 0.000 2.019 283 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 283 A C 1.637 179.021 177.584 -0.333 0.000 1.164 283 A CA 0.857 52.773 52.037 -0.203 0.000 0.644 283 A CB -0.906 17.881 19.000 -0.355 0.000 0.805 283 A HN 0.702 nan 8.150 nan 0.000 0.449 284 Y N -0.353 119.955 120.300 0.013 0.000 2.468 284 Y HA 0.299 4.849 4.550 -0.000 0.000 0.268 284 Y C 1.567 177.410 175.900 -0.095 0.000 1.177 284 Y CA -0.403 57.675 58.100 -0.037 0.000 1.265 284 Y CB -0.488 37.964 38.460 -0.014 0.000 1.103 284 Y HN 0.143 nan 8.280 nan 0.000 0.522 285 L N -0.968 120.258 121.223 0.005 0.000 2.187 285 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 285 L C 0.871 177.766 176.870 0.043 0.000 1.100 285 L CA 1.120 55.896 54.840 -0.107 0.000 0.765 285 L CB -0.008 41.842 42.059 -0.347 0.000 0.904 285 L HN 0.418 nan 8.230 nan 0.000 0.437 286 W N 1.478 122.699 121.300 -0.131 0.000 2.656 286 W HA 0.296 4.956 4.660 -0.000 0.000 0.327 286 W C -0.767 175.682 176.519 -0.116 0.000 1.041 286 W CA -0.871 56.423 57.345 -0.084 0.000 1.229 286 W CB 1.631 31.045 29.460 -0.077 0.000 1.397 286 W HN -0.233 nan 8.180 nan 0.000 0.479 287 K N 4.858 124.938 120.400 -0.533 0.000 2.138 287 K HA 0.511 4.831 4.320 -0.000 0.000 0.263 287 K C -0.624 175.998 176.600 0.037 0.000 0.965 287 K CA -0.931 55.166 56.287 -0.317 0.000 0.868 287 K CB 2.547 34.602 32.500 -0.740 0.000 1.083 287 K HN 0.567 nan 8.250 nan 0.000 0.443 288 R N 2.720 123.416 120.500 0.325 0.000 2.518 288 R HA 0.303 4.642 4.340 -0.000 0.000 0.287 288 R C -0.675 175.830 176.300 0.342 0.000 1.135 288 R CA -0.429 55.883 56.100 0.354 0.000 0.967 288 R CB 0.952 31.437 30.300 0.308 0.000 1.212 288 R HN 0.674 nan 8.270 nan 0.000 0.422 289 I N 4.124 124.798 120.570 0.173 0.000 2.752 289 I HA -0.010 4.160 4.170 -0.000 0.000 0.289 289 I C 1.364 177.484 176.117 0.005 0.000 1.197 289 I CA 2.066 63.309 61.300 -0.096 0.000 1.432 289 I CB 0.839 38.637 38.000 -0.338 0.000 1.359 289 I HN 1.104 nan 8.210 nan 0.000 0.571 290 G N 3.748 112.556 108.800 0.013 0.000 2.254 290 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 290 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 290 G C 0.309 175.241 174.900 0.053 0.000 1.003 290 G CA 0.165 45.275 45.100 0.017 0.000 0.622 290 G HN 0.781 nan 8.290 nan 0.000 0.507 291 T N -1.225 113.390 114.554 0.101 0.000 2.937 291 T HA 0.549 4.898 4.350 -0.000 0.000 0.283 291 T C 0.879 175.654 174.700 0.125 0.000 1.012 291 T CA 0.543 62.703 62.100 0.099 0.000 0.997 291 T CB 1.786 70.718 68.868 0.106 0.000 1.136 291 T HN 0.279 nan 8.240 nan 0.000 0.551 292 D N -1.071 119.384 120.400 0.091 0.000 2.336 292 D HA 0.058 4.698 4.640 -0.000 0.000 0.229 292 D C 0.626 176.995 176.300 0.114 0.000 1.061 292 D CA -0.299 53.757 54.000 0.093 0.000 0.875 292 D CB -1.670 39.159 40.800 0.047 0.000 0.904 292 D HN 0.707 nan 8.370 nan 0.000 0.525 296 Q N 0.559 120.328 119.800 -0.051 0.000 2.417 296 Q HA 0.153 4.493 4.340 -0.000 0.000 0.241 296 Q C 1.331 177.298 176.000 -0.054 0.000 1.008 296 Q CA 0.175 55.967 55.803 -0.018 0.000 0.901 296 Q CB 1.450 30.229 28.738 0.069 0.000 1.259 296 Q HN 0.166 nan 8.270 nan 0.000 0.489 297 S N 1.763 117.412 115.700 -0.085 0.000 2.374 297 S HA -0.223 4.246 4.470 -0.000 0.000 0.227 297 S C 1.224 175.709 174.600 -0.192 0.000 1.037 297 S CA 1.959 60.096 58.200 -0.106 0.000 1.024 297 S CB 0.191 63.304 63.200 -0.145 0.000 0.861 297 S HN 0.559 nan 8.310 nan 0.000 0.456 298 E N 1.143 121.112 120.200 -0.386 0.000 2.153 298 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 298 E C 2.272 178.678 176.600 -0.325 0.000 0.988 298 E CA 1.084 57.119 56.400 -0.608 0.000 0.811 298 E CB -0.499 28.267 29.700 -1.556 0.000 0.746 298 E HN 0.614 nan 8.360 nan 0.000 0.466 299 A N 0.667 123.374 122.820 -0.188 0.000 1.933 299 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 299 A C 1.763 179.182 177.584 -0.275 0.000 1.175 299 A CA 1.431 53.352 52.037 -0.194 0.000 0.628 299 A CB -0.569 18.288 19.000 -0.239 0.000 0.814 299 A HN 0.287 nan 8.150 nan 0.000 0.444 300 H N -0.755 118.220 119.070 -0.157 0.000 2.428 300 H HA -0.039 4.517 4.556 -0.000 0.000 0.296 300 H C 2.101 177.368 175.328 -0.103 0.000 1.062 300 H CA 1.697 57.661 56.048 -0.140 0.000 1.350 300 H CB -0.327 29.324 29.762 -0.185 0.000 1.403 300 H HN 0.442 nan 8.280 nan 0.000 0.533 301 T N 1.311 115.835 114.554 -0.050 0.000 2.867 301 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 301 T C 2.390 177.064 174.700 -0.044 0.000 1.057 301 T CA 0.459 62.508 62.100 -0.085 0.000 1.136 301 T CB -0.146 68.596 68.868 -0.210 0.000 0.874 301 T HN 0.183 nan 8.240 nan 0.000 0.466 302 L N 0.182 121.380 121.223 -0.042 0.000 2.056 302 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 302 L C 2.216 179.175 176.870 0.149 0.000 1.078 302 L CA 0.696 55.590 54.840 0.089 0.000 0.749 302 L CB -0.402 41.663 42.059 0.011 0.000 0.901 302 L HN 0.221 nan 8.230 nan 0.000 0.433 303 L N -1.080 120.176 121.223 0.055 0.000 2.141 303 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 303 L C 2.367 179.321 176.870 0.141 0.000 1.094 303 L CA 1.263 56.160 54.840 0.096 0.000 0.763 303 L CB -0.733 41.377 42.059 0.086 0.000 0.908 303 L HN -0.024 nan 8.230 nan 0.000 0.437 304 V N -0.429 119.558 119.914 0.121 0.000 2.343 304 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 304 V C 2.677 178.861 176.094 0.151 0.000 1.051 304 V CA 1.547 63.919 62.300 0.120 0.000 1.036 304 V CB -1.013 30.856 31.823 0.077 0.000 0.654 304 V HN 0.482 nan 8.190 nan 0.000 0.451 305 A N -0.173 122.757 122.820 0.183 0.000 1.858 305 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 305 A C 2.207 180.048 177.584 0.428 0.000 1.190 305 A CA 1.870 54.074 52.037 0.278 0.000 0.617 305 A CB -0.598 18.536 19.000 0.222 0.000 0.827 305 A HN 0.488 nan 8.150 nan 0.000 0.443 306 L N -1.076 120.407 121.223 0.434 0.000 2.042 306 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 306 L C 2.773 179.778 176.870 0.225 0.000 1.076 306 L CA 1.748 56.778 54.840 0.317 0.000 0.749 306 L CB -0.460 41.722 42.059 0.205 0.000 0.893 306 L HN 0.416 nan 8.230 nan 0.000 0.432 307 R N 0.860 121.476 120.500 0.194 0.000 2.081 307 R HA -0.123 4.216 4.340 -0.000 0.000 0.235 307 R C 2.178 178.561 176.300 0.139 0.000 1.131 307 R CA 1.737 57.933 56.100 0.159 0.000 0.960 307 R CB -0.698 29.678 30.300 0.126 0.000 0.856 307 R HN 0.291 nan 8.270 nan 0.000 0.436 308 A N -0.113 122.794 122.820 0.145 0.000 1.933 308 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 308 A C 2.348 180.004 177.584 0.119 0.000 1.175 308 A CA 1.701 53.799 52.037 0.102 0.000 0.628 308 A CB -0.717 18.352 19.000 0.114 0.000 0.814 308 A HN 0.191 nan 8.150 nan 0.000 0.444 309 V N 0.679 120.725 119.914 0.219 0.000 2.332 309 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 309 V C 3.038 179.228 176.094 0.159 0.000 1.055 309 V CA 2.527 64.971 62.300 0.239 0.000 1.038 309 V CB -1.366 30.673 31.823 0.360 0.000 0.651 309 V HN 0.866 nan 8.190 nan 0.000 0.450 310 T N -2.741 111.899 114.554 0.144 0.000 2.904 310 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 310 T C 1.560 176.319 174.700 0.098 0.000 1.059 310 T CA 1.369 63.550 62.100 0.136 0.000 1.137 310 T CB -0.413 68.562 68.868 0.177 0.000 0.879 310 T HN 0.417 nan 8.240 nan 0.000 0.467 311 D N 1.252 121.664 120.400 0.019 0.000 2.178 311 D HA 0.023 4.663 4.640 -0.000 0.000 0.201 311 D C 2.019 178.258 176.300 -0.102 0.000 0.980 311 D CA 0.914 54.818 54.000 -0.160 0.000 0.842 311 D CB -0.121 40.325 40.800 -0.591 0.000 0.948 311 D HN 0.480 nan 8.370 nan 0.000 0.472 312 I N 0.090 120.660 120.570 0.001 0.000 2.270 312 I HA -0.164 4.006 4.170 -0.000 0.000 0.239 312 I C 2.390 178.608 176.117 0.168 0.000 1.080 312 I CA 0.528 61.889 61.300 0.101 0.000 1.383 312 I CB -0.077 37.960 38.000 0.061 0.000 1.097 312 I HN -0.156 nan 8.210 nan 0.000 0.420 313 V N 0.469 120.487 119.914 0.174 0.000 2.446 313 V HA 0.083 4.203 4.120 -0.000 0.000 0.244 313 V C 0.987 177.160 176.094 0.132 0.000 1.039 313 V CA 1.245 63.654 62.300 0.182 0.000 1.045 313 V CB -0.400 31.526 31.823 0.173 0.000 0.681 313 V HN 0.477 nan 8.190 nan 0.000 0.459 314 A N 0.169 123.064 122.820 0.124 0.000 3.300 314 A HA 0.501 4.821 4.320 -0.000 0.000 0.300 314 A C -1.714 175.945 177.584 0.125 0.000 1.099 314 A CA -0.630 51.476 52.037 0.115 0.000 0.846 314 A CB 0.328 19.404 19.000 0.127 0.000 1.255 314 A HN 0.260 nan 8.150 nan 0.000 0.519 315 P HA -0.114 nan 4.420 nan 0.000 0.231 315 P C 1.191 178.575 177.300 0.141 0.000 1.158 315 P CA 1.425 64.602 63.100 0.129 0.000 0.763 315 P CB 0.243 32.007 31.700 0.106 0.000 0.805 316 A N -0.294 122.573 122.820 0.078 0.000 2.167 316 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 316 A C 1.224 178.883 177.584 0.125 0.000 1.151 316 A CA 0.344 52.373 52.037 -0.013 0.000 0.735 316 A CB -0.612 18.319 19.000 -0.115 0.000 0.802 316 A HN 0.079 nan 8.150 nan 0.000 0.467 317 V N 0.693 120.718 119.914 0.185 0.000 2.732 317 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 317 V C 0.531 176.745 176.094 0.201 0.000 1.060 317 V CA 0.034 62.477 62.300 0.237 0.000 1.038 317 V CB 1.321 33.325 31.823 0.300 0.000 1.003 317 V HN 0.406 nan 8.190 nan 0.000 0.481 321 A N 3.236 126.064 122.820 0.012 0.000 2.404 321 A HA 0.134 4.454 4.320 -0.000 0.000 0.273 321 A C 0.890 178.436 177.584 -0.064 0.000 1.144 321 A CA -0.148 51.787 52.037 -0.169 0.000 0.806 321 A CB 0.783 19.429 19.000 -0.589 0.000 1.080 321 A HN 0.872 nan 8.150 nan 0.000 0.509 322 E N 3.380 123.512 120.200 -0.113 0.000 2.216 322 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 322 E C 0.968 177.398 176.600 -0.283 0.000 0.988 322 E CA 0.815 57.089 56.400 -0.210 0.000 0.834 322 E CB -0.219 29.390 29.700 -0.151 0.000 0.772 322 E HN 0.872 nan 8.360 nan 0.000 0.479 323 A N 1.930 124.584 122.820 -0.277 0.000 2.589 323 A HA -0.103 4.217 4.320 -0.000 0.000 0.265 323 A C 0.353 177.858 177.584 -0.132 0.000 0.973 323 A CA 0.632 52.540 52.037 -0.216 0.000 0.902 323 A CB -0.754 18.012 19.000 -0.390 0.000 0.846 323 A HN 0.343 nan 8.150 nan 0.000 0.489 324 I N 4.621 125.142 120.570 -0.082 0.000 2.313 324 I HA 0.363 4.532 4.170 -0.000 0.000 0.286 324 I C 0.079 176.203 176.117 0.011 0.000 1.091 324 I CA -0.279 60.995 61.300 -0.043 0.000 1.216 324 I CB 0.260 38.210 38.000 -0.083 0.000 1.434 324 I HN 0.583 nan 8.210 nan 0.000 0.487 325 V N 3.483 123.418 119.914 0.034 0.000 3.181 325 V HA 0.695 4.815 4.120 -0.000 0.000 0.308 325 V C -2.776 173.344 176.094 0.042 0.000 1.214 325 V CA -2.243 60.087 62.300 0.049 0.000 1.053 325 V CB 1.372 33.240 31.823 0.074 0.000 1.069 325 V HN 0.234 nan 8.190 nan 0.000 0.441 329 Q N 0.317 120.142 119.800 0.042 0.000 2.217 329 Q HA 0.520 4.860 4.340 -0.000 0.000 0.217 329 Q C 1.529 177.598 176.000 0.115 0.000 0.844 329 Q CA -0.031 55.803 55.803 0.051 0.000 0.957 329 Q CB 0.415 29.187 28.738 0.057 0.000 1.127 329 Q HN 0.488 nan 8.270 nan 0.000 0.503 330 L N 0.118 121.428 121.223 0.145 0.000 2.249 330 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 330 L C -0.930 175.971 176.870 0.052 0.000 1.090 330 L CA 0.293 55.251 54.840 0.196 0.000 0.802 330 L CB -1.008 41.197 42.059 0.244 0.000 0.947 330 L HN 0.071 nan 8.230 nan 0.000 0.453 331 P HA -0.177 nan 4.420 nan 0.000 0.218 331 P C -1.367 175.913 177.300 -0.033 0.000 1.154 331 P CA 1.755 64.923 63.100 0.114 0.000 0.872 331 P CB -1.023 30.745 31.700 0.113 0.000 0.790 332 P HA -0.185 nan 4.420 nan 0.000 0.217 332 P C 1.117 178.139 177.300 -0.463 0.000 1.148 332 P CA 1.333 64.160 63.100 -0.455 0.000 0.828 332 P CB -0.624 30.664 31.700 -0.687 0.000 0.783 333 Y N -2.519 117.672 120.300 -0.181 0.000 2.403 333 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 333 Y C 1.685 177.486 175.900 -0.166 0.000 1.143 333 Y CA 0.982 59.018 58.100 -0.107 0.000 1.257 333 Y CB -1.071 37.250 38.460 -0.231 0.000 0.984 333 Y HN -0.052 nan 8.280 nan 0.000 0.550 334 F N -0.321 119.674 119.950 0.076 0.000 2.797 334 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 334 F C 1.264 177.034 175.800 -0.050 0.000 1.130 334 F CA 0.208 58.198 58.000 -0.017 0.000 1.387 334 F CB -0.324 38.624 39.000 -0.087 0.000 1.107 334 F HN -0.066 nan 8.300 nan 0.000 0.577 335 G N 0.417 109.258 108.800 0.069 0.000 3.225 335 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.686 335 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.686 335 G C -0.541 174.328 174.900 -0.052 0.000 1.105 335 G CA -0.907 44.194 45.100 0.000 0.000 0.831 335 G HN 0.094 nan 8.290 nan 0.000 0.578 336 S N 1.134 116.761 115.700 -0.121 0.000 2.578 336 S HA 0.854 5.323 4.470 -0.000 0.000 0.283 336 S C 1.489 176.048 174.600 -0.068 0.000 1.195 336 S CA 0.989 59.119 58.200 -0.117 0.000 1.050 336 S CB 1.332 64.419 63.200 -0.189 0.000 1.012 336 S HN 2.522 nan 8.310 nan 0.000 0.511 337 G N 1.465 110.232 108.800 -0.055 0.000 2.685 337 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.329 337 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.329 337 G C 1.191 176.082 174.900 -0.015 0.000 1.271 337 G CA 1.016 46.094 45.100 -0.037 0.000 1.003 337 G HN 1.547 nan 8.290 nan 0.000 0.549 338 V N -1.774 118.137 119.914 -0.006 0.000 2.867 338 V HA 0.042 4.162 4.120 -0.000 0.000 0.260 338 V C 1.735 177.877 176.094 0.079 0.000 1.099 338 V CA 3.005 65.320 62.300 0.025 0.000 1.122 338 V CB -0.361 31.469 31.823 0.012 0.000 0.708 338 V HN 0.529 nan 8.190 nan 0.000 0.490 339 D N 0.259 120.694 120.400 0.059 0.000 2.349 339 D HA 0.114 4.754 4.640 -0.000 0.000 0.214 339 D C 0.847 177.194 176.300 0.080 0.000 1.063 339 D CA 0.141 54.212 54.000 0.119 0.000 0.847 339 D CB 0.205 41.043 40.800 0.064 0.000 0.933 339 D HN 0.751 nan 8.370 nan 0.000 0.513 340 E N 0.178 120.383 120.200 0.008 0.000 2.415 340 E HA 0.194 4.544 4.350 -0.000 0.000 0.263 340 E C 1.037 177.544 176.600 -0.156 0.000 0.995 340 E CA 0.584 56.959 56.400 -0.041 0.000 0.915 340 E CB 0.286 29.957 29.700 -0.048 0.000 0.951 340 E HN 0.251 nan 8.360 nan 0.000 0.449 341 G N 4.514 113.225 108.800 -0.149 0.000 2.176 341 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 341 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 341 G C 0.308 174.995 174.900 -0.355 0.000 0.979 341 G CA 0.269 45.210 45.100 -0.264 0.000 0.641 341 G HN 0.722 nan 8.290 nan 0.000 0.530 342 H N -0.152 118.934 119.070 0.027 0.000 2.492 342 H HA 0.438 4.993 4.556 -0.000 0.000 0.264 342 H C 0.931 176.269 175.328 0.018 0.000 1.150 342 H CA 0.541 56.604 56.048 0.024 0.000 0.962 342 H CB 0.719 30.511 29.762 0.049 0.000 1.766 342 H HN 0.686 nan 8.280 nan 0.000 0.589 343 E N -0.476 119.772 120.200 0.081 0.000 4.381 343 E HA 0.259 4.608 4.350 -0.000 0.000 0.212 343 E C -0.324 176.296 176.600 0.033 0.000 1.112 343 E CA -0.420 56.036 56.400 0.092 0.000 0.938 343 E CB 1.022 30.799 29.700 0.128 0.000 2.387 343 E HN 0.099 nan 8.360 nan 0.000 0.486 344 C N 1.810 121.172 119.300 0.103 0.000 2.605 344 C HA 0.246 4.706 4.460 -0.000 0.000 0.404 344 C C 1.526 176.574 174.990 0.098 0.000 1.284 344 C CA -0.366 58.712 59.018 0.101 0.000 2.199 344 C CB -0.246 27.569 27.740 0.124 0.000 2.647 344 C HN 0.628 nan 8.230 nan 0.000 0.604 345 H N 0.633 119.744 119.070 0.069 0.000 2.431 345 H HA 0.232 4.788 4.556 -0.000 0.000 0.295 345 H C 0.121 175.428 175.328 -0.034 0.000 1.038 345 H CA 1.065 57.069 56.048 -0.072 0.000 1.360 345 H CB 0.269 29.692 29.762 -0.565 0.000 1.433 345 H HN 0.457 nan 8.280 nan 0.000 0.536 346 L N -0.382 120.914 121.223 0.120 0.000 2.350 346 L HA 0.683 5.022 4.340 -0.000 0.000 0.260 346 L C -0.664 176.300 176.870 0.156 0.000 1.015 346 L CA -1.014 53.907 54.840 0.134 0.000 0.821 346 L CB 2.559 44.547 42.059 -0.118 0.000 1.370 346 L HN -0.025 nan 8.230 nan 0.000 0.416 347 A N 0.383 123.328 122.820 0.208 0.000 2.549 347 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 347 A C -1.931 175.870 177.584 0.362 0.000 1.061 347 A CA -0.447 51.697 52.037 0.179 0.000 0.690 347 A CB 1.045 20.029 19.000 -0.026 0.000 1.287 347 A HN 0.463 nan 8.150 nan 0.000 0.402 348 Y N 1.620 122.025 120.300 0.176 0.000 2.359 348 Y HA 0.235 4.785 4.550 -0.000 0.000 0.334 348 Y C 0.978 177.032 175.900 0.257 0.000 1.058 348 Y CA 0.449 58.686 58.100 0.229 0.000 1.244 348 Y CB 0.557 39.065 38.460 0.081 0.000 1.187 348 Y HN 0.687 nan 8.280 nan 0.000 0.510 349 H N 2.972 122.210 119.070 0.279 0.000 2.923 349 H HA 0.168 4.724 4.556 -0.000 0.000 0.251 349 H C 0.593 175.910 175.328 -0.018 0.000 1.741 349 H CA -0.147 55.839 56.048 -0.104 0.000 1.387 349 H CB 0.164 29.658 29.762 -0.446 0.000 1.740 349 H HN 0.717 nan 8.280 nan 0.000 0.544 350 S N 1.348 117.190 115.700 0.238 0.000 2.428 350 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 350 S C 2.051 176.666 174.600 0.026 0.000 1.014 350 S CA 1.095 59.374 58.200 0.132 0.000 0.957 350 S CB 0.302 63.603 63.200 0.167 0.000 0.784 350 S HN 0.563 nan 8.310 nan 0.000 0.499 351 T N 2.425 117.038 114.554 0.098 0.000 2.777 351 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 351 T C 0.875 175.572 174.700 -0.004 0.000 1.040 351 T CA 0.547 62.693 62.100 0.076 0.000 1.141 351 T CB -0.354 68.574 68.868 0.100 0.000 0.868 351 T HN 0.203 nan 8.240 nan 0.000 0.444 355 A N 0.473 123.304 122.820 0.018 0.000 1.969 355 A HA 0.278 4.598 4.320 -0.000 0.000 0.218 355 A C 2.250 179.721 177.584 -0.189 0.000 1.169 355 A CA 2.374 54.357 52.037 -0.090 0.000 0.635 355 A CB -1.106 17.775 19.000 -0.197 0.000 0.810 355 A HN 1.312 nan 8.150 nan 0.000 0.445 356 G N -1.328 107.354 108.800 -0.197 0.000 2.421 356 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 356 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 356 G C 1.382 176.225 174.900 -0.096 0.000 1.171 356 G CA 0.921 45.872 45.100 -0.248 0.000 0.775 356 G HN 0.671 nan 8.290 nan 0.000 0.543 357 W N 1.154 122.504 121.300 0.083 0.000 2.436 357 W HA 0.088 4.748 4.660 -0.000 0.000 0.284 357 W C 3.076 179.799 176.519 0.340 0.000 1.225 357 W CA 0.935 58.417 57.345 0.228 0.000 1.271 357 W CB -0.035 29.509 29.460 0.140 0.000 1.114 357 W HN 0.115 nan 8.180 nan 0.000 0.559 358 S N 0.356 116.302 115.700 0.410 0.000 2.355 358 S HA -0.149 4.320 4.470 -0.000 0.000 0.222 358 S C 2.052 176.593 174.600 -0.099 0.000 1.031 358 S CA 1.370 59.643 58.200 0.121 0.000 0.993 358 S CB -0.918 62.270 63.200 -0.019 0.000 0.859 358 S HN 0.257 nan 8.310 nan 0.000 0.453 359 A N 1.319 124.013 122.820 -0.211 0.000 1.940 359 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 359 A C 2.132 179.754 177.584 0.063 0.000 1.176 359 A CA 1.398 53.229 52.037 -0.343 0.000 0.631 359 A CB -0.708 17.763 19.000 -0.880 0.000 0.814 359 A HN 0.406 nan 8.150 nan 0.000 0.446 360 L N -0.385 121.032 121.223 0.324 0.000 2.005 360 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 360 L C 2.723 179.759 176.870 0.276 0.000 1.072 360 L CA 2.236 57.377 54.840 0.502 0.000 0.744 360 L CB -0.674 41.662 42.059 0.462 0.000 0.895 360 L HN 0.324 nan 8.230 nan 0.000 0.433 361 A N -0.976 121.892 122.820 0.080 0.000 1.969 361 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 361 A C 2.106 179.380 177.584 -0.517 0.000 1.169 361 A CA 1.747 53.428 52.037 -0.594 0.000 0.635 361 A CB -0.701 17.739 19.000 -0.934 0.000 0.810 361 A HN 0.501 nan 8.150 nan 0.000 0.445 362 L N -1.686 119.390 121.223 -0.245 0.000 2.585 362 L HA 0.090 4.430 4.340 -0.000 0.000 0.226 362 L C 0.258 177.080 176.870 -0.080 0.000 1.113 362 L CA 0.057 54.781 54.840 -0.193 0.000 0.876 362 L CB -0.197 41.736 42.059 -0.210 0.000 1.072 362 L HN 0.437 nan 8.230 nan 0.000 0.468 363 Q N 1.125 120.942 119.800 0.028 0.000 2.460 363 Q HA -0.189 4.151 4.340 -0.000 0.000 0.311 363 Q C -0.293 175.739 176.000 0.054 0.000 1.396 363 Q CA 0.612 56.484 55.803 0.116 0.000 0.838 363 Q CB -1.121 27.658 28.738 0.068 0.000 1.140 363 Q HN 0.503 nan 8.270 nan 0.000 0.415 364 R N -0.866 119.624 120.500 -0.016 0.000 2.468 364 R HA 0.290 4.630 4.340 -0.000 0.000 0.302 364 R C 1.124 177.291 176.300 -0.222 0.000 1.041 364 R CA 0.093 56.131 56.100 -0.104 0.000 0.899 364 R CB 1.087 31.278 30.300 -0.182 0.000 1.167 364 R HN 0.266 nan 8.270 nan 0.000 0.483 365 G N 1.769 110.510 108.800 -0.099 0.000 2.511 365 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 365 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 365 G C 1.018 175.813 174.900 -0.175 0.000 1.133 365 G CA 0.486 45.480 45.100 -0.176 0.000 0.792 365 G HN 0.675 nan 8.290 nan 0.000 0.539 366 D N 1.203 121.549 120.400 -0.091 0.000 2.265 366 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 366 D C 2.156 178.403 176.300 -0.088 0.000 0.977 366 D CA 0.453 54.441 54.000 -0.020 0.000 0.871 366 D CB -0.437 40.366 40.800 0.005 0.000 0.925 366 D HN 0.423 nan 8.370 nan 0.000 0.485 367 I N -0.081 120.331 120.570 -0.264 0.000 2.353 367 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 367 I C 2.487 178.375 176.117 -0.382 0.000 1.119 367 I CA 0.558 61.664 61.300 -0.323 0.000 1.417 367 I CB -0.083 37.582 38.000 -0.558 0.000 1.078 367 I HN -0.018 nan 8.210 nan 0.000 0.421 368 L N -0.171 120.673 121.223 -0.632 0.000 2.156 368 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 368 L C 2.688 179.111 176.870 -0.745 0.000 1.095 368 L CA 1.104 55.350 54.840 -0.990 0.000 0.770 368 L CB -0.706 40.216 42.059 -1.894 0.000 0.914 368 L HN 0.325 nan 8.230 nan 0.000 0.439 369 H N 0.278 119.117 119.070 -0.385 0.000 2.353 369 H HA -0.205 4.351 4.556 0.000 0.000 0.300 369 H C 2.112 177.481 175.328 0.069 0.000 1.090 369 H CA 2.093 58.190 56.048 0.080 0.000 1.327 369 H CB -0.074 29.780 29.762 0.153 0.000 1.383 369 H HN 0.186 nan 8.280 nan 0.000 0.508 370 N N 0.140 118.756 118.700 -0.139 0.000 2.069 370 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 370 N C 2.022 177.550 175.510 0.030 0.000 1.031 370 N CA 1.800 54.815 53.050 -0.058 0.000 0.852 370 N CB -0.627 37.840 38.487 -0.034 0.000 1.018 370 N HN 0.298 nan 8.380 nan 0.000 0.423 371 V N 0.966 120.836 119.914 -0.075 0.000 2.295 371 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 371 V C 2.288 178.388 176.094 0.011 0.000 1.049 371 V CA 1.164 63.443 62.300 -0.034 0.000 1.024 371 V CB -0.410 31.331 31.823 -0.138 0.000 0.648 371 V HN 0.312 nan 8.190 nan 0.000 0.447 372 I N 0.552 121.103 120.570 -0.031 0.000 2.353 372 I HA -0.129 4.040 4.170 -0.000 0.000 0.248 372 I C 2.651 178.795 176.117 0.046 0.000 1.119 372 I CA 1.756 63.091 61.300 0.058 0.000 1.417 372 I CB -1.643 36.485 38.000 0.213 0.000 1.078 372 I HN 0.301 nan 8.210 nan 0.000 0.421 373 A N -0.141 122.638 122.820 -0.069 0.000 2.019 373 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 373 A C 1.772 179.198 177.584 -0.263 0.000 1.164 373 A CA 1.512 53.428 52.037 -0.202 0.000 0.644 373 A CB -0.887 17.814 19.000 -0.498 0.000 0.805 373 A HN 0.540 nan 8.150 nan 0.000 0.449 374 H N -1.394 117.664 119.070 -0.019 0.000 2.652 374 H HA 0.273 4.829 4.556 -0.000 0.000 0.274 374 H C 0.605 175.982 175.328 0.083 0.000 1.021 374 H CA 0.312 56.380 56.048 0.035 0.000 1.187 374 H CB 0.334 30.119 29.762 0.039 0.000 1.505 374 H HN 0.321 nan 8.280 nan 0.000 0.530 375 S N 2.723 118.536 115.700 0.188 0.000 2.509 375 S HA 0.078 4.547 4.470 -0.000 0.000 0.287 375 S C -2.324 172.449 174.600 0.289 0.000 1.248 375 S CA -1.293 57.054 58.200 0.245 0.000 1.089 375 S CB 0.070 63.442 63.200 0.286 0.000 0.900 375 S HN 0.091 nan 8.310 nan 0.000 0.496 376 P HA 0.090 nan 4.420 nan 0.000 0.261 376 P C -2.346 175.142 177.300 0.313 0.000 1.173 376 P CA -0.789 62.492 63.100 0.301 0.000 0.760 376 P CB -0.157 31.750 31.700 0.345 0.000 0.783 377 P HA 0.035 nan 4.420 nan 0.000 0.267 377 P C -0.280 176.999 177.300 -0.035 0.000 1.209 377 P CA 0.187 63.334 63.100 0.079 0.000 0.763 377 P CB 0.616 32.333 31.700 0.029 0.000 0.816 378 L N 5.951 127.084 121.223 -0.150 0.000 2.499 378 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 378 L C -1.558 175.076 176.870 -0.395 0.000 1.195 378 L CA -1.446 53.123 54.840 -0.452 0.000 0.882 378 L CB -0.529 41.200 42.059 -0.550 0.000 1.133 378 L HN 0.277 nan 8.230 nan 0.000 0.483 379 P HA 0.107 nan 4.420 nan 0.000 0.272 379 P C -0.628 176.461 177.300 -0.350 0.000 1.240 379 P CA -0.668 62.227 63.100 -0.342 0.000 0.791 379 P CB 0.443 31.956 31.700 -0.313 0.000 0.978 380 R N 1.434 121.750 120.500 -0.307 0.000 2.570 380 R HA -0.018 4.322 4.340 -0.000 0.000 0.277 380 R C 0.120 176.206 176.300 -0.358 0.000 1.039 380 R CA 0.413 56.263 56.100 -0.417 0.000 1.065 380 R CB -0.517 29.492 30.300 -0.485 0.000 0.964 380 R HN 0.605 nan 8.270 nan 0.000 0.428 381 H N 0.148 119.140 119.070 -0.131 0.000 2.899 381 H HA -0.187 4.369 4.556 -0.000 0.000 0.282 381 H C -0.771 174.601 175.328 0.074 0.000 1.198 381 H CA 0.512 56.530 56.048 -0.049 0.000 1.140 381 H CB -2.174 27.615 29.762 0.045 0.000 1.317 381 H HN 0.472 nan 8.280 nan 0.000 0.375 382 C N -0.359 118.904 119.300 -0.062 0.000 2.779 382 C HA 0.986 5.446 4.460 -0.000 0.000 0.314 382 C C 0.609 175.421 174.990 -0.297 0.000 1.231 382 C CA 0.168 59.063 59.018 -0.204 0.000 1.652 382 C CB 2.321 29.552 27.740 -0.849 0.000 2.198 382 C HN 0.802 nan 8.230 nan 0.000 0.483 383 A N 0.401 123.081 122.820 -0.233 0.000 2.581 383 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 383 A C -2.133 175.353 177.584 -0.163 0.000 1.119 383 A CA -0.617 51.281 52.037 -0.231 0.000 0.670 383 A CB 0.507 19.535 19.000 0.046 0.000 1.280 383 A HN 0.865 nan 8.150 nan 0.000 0.425 384 W N -0.236 121.124 121.300 0.100 0.000 2.436 384 W HA 0.610 5.269 4.660 -0.000 0.000 0.347 384 W C -0.109 176.413 176.519 0.004 0.000 1.136 384 W CA -0.707 56.716 57.345 0.130 0.000 1.286 384 W CB 1.296 30.877 29.460 0.202 0.000 1.253 384 W HN 0.438 nan 8.180 nan 0.000 0.617 385 L N 3.785 125.159 121.223 0.250 0.000 2.294 385 L HA 0.430 4.769 4.340 -0.000 0.000 0.283 385 L C -0.181 176.779 176.870 0.150 0.000 1.015 385 L CA -0.283 54.510 54.840 -0.077 0.000 0.831 385 L CB 0.103 41.759 42.059 -0.673 0.000 1.217 385 L HN 0.520 nan 8.230 nan 0.000 0.420 386 S N 5.108 120.915 115.700 0.178 0.000 2.565 386 S HA 0.838 5.308 4.470 -0.000 0.000 0.290 386 S C -0.729 174.053 174.600 0.303 0.000 1.150 386 S CA -0.508 57.821 58.200 0.215 0.000 1.058 386 S CB 1.933 65.188 63.200 0.092 0.000 1.032 386 S HN 0.574 nan 8.310 nan 0.000 0.510 387 Y N -1.351 118.957 120.300 0.013 0.000 2.689 387 Y HA 0.715 5.264 4.550 -0.000 0.000 0.333 387 Y C -0.421 175.429 175.900 -0.083 0.000 1.208 387 Y CA -1.447 56.658 58.100 0.008 0.000 1.055 387 Y CB 0.250 38.767 38.460 0.095 0.000 1.304 387 Y HN 0.267 nan 8.280 nan 0.000 0.455 388 V N 0.096 119.942 119.914 -0.112 0.000 2.908 388 V HA 0.425 4.545 4.120 -0.000 0.000 0.240 388 V C 0.390 176.574 176.094 0.149 0.000 1.117 388 V CA 0.538 62.723 62.300 -0.192 0.000 1.133 388 V CB 0.063 31.534 31.823 -0.588 0.000 0.857 388 V HN 0.721 nan 8.190 nan 0.000 0.478 389 R N -0.746 119.879 120.500 0.208 0.000 2.817 389 R HA 0.703 5.043 4.340 -0.000 0.000 0.268 389 R C -1.104 175.136 176.300 -0.101 0.000 1.027 389 R CA 0.144 56.286 56.100 0.070 0.000 0.928 389 R CB 1.802 32.165 30.300 0.104 0.000 1.228 389 R HN 0.482 nan 8.270 nan 0.000 0.469 390 C N -1.502 117.439 119.300 -0.598 0.000 3.293 390 C HA 0.443 4.903 4.460 -0.000 0.000 0.362 390 C C 1.697 176.007 174.990 -1.133 0.000 1.539 390 C CA -0.675 57.789 59.018 -0.923 0.000 1.201 390 C CB 0.768 28.268 27.740 -0.399 0.000 1.770 390 C HN 1.014 nan 8.230 nan 0.000 0.440 391 H N 0.285 118.945 119.070 -0.684 0.000 2.545 391 H HA 0.133 4.688 4.556 -0.000 0.000 0.282 391 H C -0.233 175.107 175.328 0.020 0.000 1.020 391 H CA 1.270 57.242 56.048 -0.125 0.000 1.243 391 H CB -0.554 29.197 29.762 -0.018 0.000 1.377 391 H HN 0.660 nan 8.280 nan 0.000 0.581 392 D N 1.930 121.951 120.400 -0.633 0.000 2.440 392 D HA 0.070 4.710 4.640 -0.000 0.000 0.258 392 D C 0.362 176.387 176.300 -0.458 0.000 1.092 392 D CA -0.461 53.256 54.000 -0.472 0.000 1.016 392 D CB 1.406 41.843 40.800 -0.606 0.000 1.141 392 D HN 0.360 nan 8.370 nan 0.000 0.552 393 D N -0.353 119.794 120.400 -0.422 0.000 2.360 393 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 393 D C 0.305 176.331 176.300 -0.457 0.000 1.184 393 D CA -0.238 53.502 54.000 -0.432 0.000 0.930 393 D CB 1.035 41.601 40.800 -0.390 0.000 1.161 393 D HN 0.260 nan 8.370 nan 0.000 0.447 394 I N 0.342 120.577 120.570 -0.558 0.000 2.379 394 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 394 I C 1.100 176.745 176.117 -0.787 0.000 1.063 394 I CA -0.335 60.497 61.300 -0.780 0.000 1.351 394 I CB 0.986 38.235 38.000 -1.252 0.000 1.410 394 I HN 0.424 nan 8.210 nan 0.000 0.505 395 G N 6.029 114.524 108.800 -0.508 0.000 2.807 395 G HA2 0.128 4.088 3.960 -0.000 0.000 0.316 395 G HA3 0.128 4.088 3.960 -0.000 0.000 0.316 395 G C 0.365 175.141 174.900 -0.207 0.000 0.900 395 G CA -0.450 44.484 45.100 -0.276 0.000 1.499 395 G HN 0.842 nan 8.290 nan 0.000 0.484 396 W N 1.409 122.743 121.300 0.057 0.000 2.341 396 W HA -0.159 4.501 4.660 -0.000 0.000 0.283 396 W C 2.179 178.739 176.519 0.069 0.000 1.215 396 W CA 0.597 57.988 57.345 0.075 0.000 1.211 396 W CB -0.179 29.340 29.460 0.098 0.000 1.131 396 W HN 0.554 nan 8.180 nan 0.000 0.552 397 N N 0.559 119.407 118.700 0.247 0.000 2.258 397 N HA -0.188 4.552 4.740 -0.000 0.000 0.187 397 N C 1.695 177.277 175.510 0.120 0.000 1.012 397 N CA 1.687 54.834 53.050 0.162 0.000 0.870 397 N CB -0.335 38.228 38.487 0.126 0.000 0.977 397 N HN 0.128 nan 8.380 nan 0.000 0.434 398 V N -1.109 118.868 119.914 0.105 0.000 2.867 398 V HA -0.110 4.010 4.120 -0.000 0.000 0.260 398 V C 1.518 177.676 176.094 0.107 0.000 1.099 398 V CA 1.416 63.767 62.300 0.084 0.000 1.122 398 V CB -0.596 31.261 31.823 0.057 0.000 0.708 398 V HN 0.293 nan 8.190 nan 0.000 0.490 399 L N -0.470 120.841 121.223 0.147 0.000 2.628 399 L HA 0.159 4.499 4.340 -0.000 0.000 0.229 399 L C 2.326 179.238 176.870 0.069 0.000 1.137 399 L CA 0.150 55.083 54.840 0.155 0.000 0.909 399 L CB -0.086 42.139 42.059 0.275 0.000 1.137 399 L HN 0.336 nan 8.230 nan 0.000 0.470 400 Q N 0.354 120.190 119.800 0.060 0.000 2.096 400 Q HA -0.305 4.034 4.340 -0.000 0.000 0.208 400 Q C 2.015 178.004 176.000 -0.017 0.000 0.993 400 Q CA 2.227 58.032 55.803 0.004 0.000 0.862 400 Q CB -0.161 28.598 28.738 0.036 0.000 0.915 400 Q HN 0.512 nan 8.270 nan 0.000 0.416 401 H N -0.338 118.700 119.070 -0.054 0.000 2.270 401 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 401 H C 1.658 176.929 175.328 -0.095 0.000 1.077 401 H CA 2.194 58.202 56.048 -0.066 0.000 1.294 401 H CB -0.031 29.704 29.762 -0.045 0.000 1.371 401 H HN 0.254 nan 8.280 nan 0.000 0.491 402 E N 0.348 120.453 120.200 -0.159 0.000 2.085 402 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 402 E C 2.333 178.770 176.600 -0.273 0.000 0.994 402 E CA 1.252 57.550 56.400 -0.170 0.000 0.801 402 E CB -0.632 29.123 29.700 0.093 0.000 0.743 402 E HN 0.602 nan 8.360 nan 0.000 0.453 403 A N 0.062 122.542 122.820 -0.566 0.000 2.084 403 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 403 A C 2.155 179.350 177.584 -0.648 0.000 1.161 403 A CA 1.434 52.717 52.037 -1.257 0.000 0.653 403 A CB -0.896 17.516 19.000 -0.980 0.000 0.802 403 A HN 0.421 nan 8.150 nan 0.000 0.457 404 C N -1.417 117.650 119.300 -0.388 0.000 2.500 404 C HA 0.427 4.887 4.460 -0.000 0.000 0.273 404 C C 1.656 176.524 174.990 -0.203 0.000 1.428 404 C CA 0.119 58.984 59.018 -0.255 0.000 1.766 404 C CB -1.912 25.707 27.740 -0.202 0.000 1.817 404 C HN 1.157 nan 8.230 nan 0.000 0.543 405 G N 2.121 110.799 108.800 -0.204 0.000 2.846 405 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.660 405 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.660 405 G C -0.665 174.164 174.900 -0.118 0.000 1.464 405 G CA 0.076 45.116 45.100 -0.100 0.000 0.891 405 G HN 0.733 nan 8.290 nan 0.000 0.552 406 N N -1.913 116.750 118.700 -0.062 0.000 3.418 406 N HA 0.780 5.520 4.740 -0.000 0.000 0.316 406 N C 1.356 176.869 175.510 0.005 0.000 1.601 406 N CA 0.635 53.658 53.050 -0.044 0.000 0.805 406 N CB 0.389 38.837 38.487 -0.065 0.000 1.873 406 N HN 1.647 nan 8.380 nan 0.000 0.615 407 A N -0.921 121.915 122.820 0.027 0.000 2.024 407 A HA 0.188 4.508 4.320 -0.000 0.000 0.220 407 A C 1.759 179.376 177.584 0.055 0.000 1.164 407 A CA 2.293 54.354 52.037 0.041 0.000 0.643 407 A CB -1.261 17.769 19.000 0.050 0.000 0.806 407 A HN 0.857 nan 8.150 nan 0.000 0.451 408 A N -2.378 120.489 122.820 0.079 0.000 2.167 408 A HA 0.257 4.577 4.320 -0.000 0.000 0.208 408 A C 1.090 178.727 177.584 0.089 0.000 1.198 408 A CA 0.453 52.551 52.037 0.102 0.000 0.863 408 A CB 0.123 19.231 19.000 0.180 0.000 0.904 408 A HN 0.442 nan 8.150 nan 0.000 0.484 409 Q N 0.921 120.764 119.800 0.072 0.000 2.320 409 Q HA 0.379 4.719 4.340 -0.000 0.000 0.268 409 Q C -3.052 172.979 176.000 0.051 0.000 1.023 409 Q CA -2.250 53.590 55.803 0.061 0.000 0.744 409 Q CB 2.082 30.859 28.738 0.066 0.000 1.246 409 Q HN 0.094 nan 8.270 nan 0.000 0.462 410 P HA 0.129 nan 4.420 nan 0.000 0.270 410 P C -2.552 174.795 177.300 0.080 0.000 1.227 410 P CA -0.738 62.387 63.100 0.043 0.000 0.788 410 P CB -0.015 31.706 31.700 0.035 0.000 0.926 411 P HA 0.174 nan 4.420 nan 0.000 0.271 411 P C -0.963 176.406 177.300 0.115 0.000 1.233 411 P CA 0.299 63.398 63.100 -0.003 0.000 0.789 411 P CB 0.191 31.848 31.700 -0.072 0.000 0.951 412 F N -2.822 117.089 119.950 -0.065 0.000 2.631 412 F HA 0.619 5.146 4.527 -0.000 0.000 0.308 412 F C -0.565 175.194 175.800 -0.068 0.000 1.097 412 F CA -1.316 56.643 58.000 -0.069 0.000 0.952 412 F CB 0.991 39.945 39.000 -0.077 0.000 1.307 412 F HN 0.102 nan 8.300 nan 0.000 0.450 413 S N 2.734 118.479 115.700 0.074 0.000 2.430 413 S HA 0.393 4.863 4.470 -0.000 0.000 0.289 413 S C 0.751 175.348 174.600 -0.005 0.000 1.143 413 S CA -0.679 57.502 58.200 -0.032 0.000 1.067 413 S CB 0.255 63.438 63.200 -0.028 0.000 0.964 413 S HN 0.805 nan 8.310 nan 0.000 0.485 414 L N 4.672 125.850 121.223 -0.076 0.000 2.141 414 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 414 L C 2.766 179.543 176.870 -0.156 0.000 1.094 414 L CA 0.963 55.761 54.840 -0.069 0.000 0.763 414 L CB -0.324 41.727 42.059 -0.012 0.000 0.908 414 L HN 0.671 nan 8.230 nan 0.000 0.437 415 R N 0.256 120.695 120.500 -0.101 0.000 2.081 415 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 415 R C 1.785 178.019 176.300 -0.109 0.000 1.131 415 R CA 1.759 57.801 56.100 -0.097 0.000 0.960 415 R CB -0.042 30.218 30.300 -0.067 0.000 0.856 415 R HN 0.270 nan 8.270 nan 0.000 0.436 416 D N -0.306 120.039 120.400 -0.091 0.000 2.117 416 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 416 D C 1.888 178.116 176.300 -0.119 0.000 0.982 416 D CA 1.049 55.003 54.000 -0.077 0.000 0.828 416 D CB -0.072 40.696 40.800 -0.053 0.000 0.967 416 D HN 0.064 nan 8.370 nan 0.000 0.464 417 V N 1.201 120.995 119.914 -0.200 0.000 2.295 417 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 417 V C 2.479 178.341 176.094 -0.387 0.000 1.049 417 V CA 1.789 63.894 62.300 -0.325 0.000 1.024 417 V CB -0.781 30.774 31.823 -0.446 0.000 0.648 417 V HN 0.186 nan 8.190 nan 0.000 0.447 418 A N 0.037 122.543 122.820 -0.523 0.000 1.877 418 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 418 A C 2.364 179.934 177.584 -0.023 0.000 1.186 418 A CA 1.958 53.804 52.037 -0.319 0.000 0.620 418 A CB -0.532 18.345 19.000 -0.205 0.000 0.822 418 A HN 0.509 nan 8.150 nan 0.000 0.443 419 R N -2.026 118.447 120.500 -0.046 0.000 2.096 419 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 419 R C 2.004 178.291 176.300 -0.022 0.000 1.127 419 R CA 1.553 57.646 56.100 -0.012 0.000 0.968 419 R CB -0.520 29.766 30.300 -0.022 0.000 0.861 419 R HN 0.611 nan 8.270 nan 0.000 0.440 420 F N 0.373 120.193 119.950 -0.216 0.000 2.069 420 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 420 F C 1.631 177.222 175.800 -0.348 0.000 1.113 420 F CA 1.511 59.306 58.000 -0.341 0.000 1.214 420 F CB -0.270 38.415 39.000 -0.524 0.000 0.978 420 F HN -0.068 nan 8.300 nan 0.000 0.474 421 Y N -0.066 120.277 120.300 0.072 0.000 2.509 421 Y HA 0.102 4.652 4.550 -0.000 0.000 0.293 421 Y C 2.268 178.158 175.900 -0.016 0.000 1.133 421 Y CA 0.661 58.779 58.100 0.029 0.000 1.283 421 Y CB -0.977 37.606 38.460 0.204 0.000 1.001 421 Y HN 0.170 nan 8.280 nan 0.000 0.555 422 A N -0.386 122.494 122.820 0.100 0.000 2.275 422 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 422 A C 0.953 178.532 177.584 -0.009 0.000 1.201 422 A CA 0.516 52.603 52.037 0.083 0.000 0.843 422 A CB -0.612 18.453 19.000 0.109 0.000 0.873 422 A HN 0.429 nan 8.150 nan 0.000 0.492 423 N N -1.797 116.828 118.700 -0.126 0.000 2.725 423 N HA -0.230 4.510 4.740 -0.000 0.000 0.251 423 N C 0.392 175.842 175.510 -0.099 0.000 1.031 423 N CA 1.009 53.951 53.050 -0.180 0.000 0.720 423 N CB -1.338 37.075 38.487 -0.122 0.000 0.930 423 N HN 0.580 nan 8.380 nan 0.000 0.543 424 A N -1.183 121.590 122.820 -0.079 0.000 2.423 424 A HA 0.478 4.798 4.320 -0.000 0.000 0.246 424 A C 0.222 177.781 177.584 -0.043 0.000 1.278 424 A CA 0.238 52.252 52.037 -0.038 0.000 0.903 424 A CB 0.645 19.638 19.000 -0.012 0.000 0.997 424 A HN 0.161 nan 8.150 nan 0.000 0.510 425 V N -0.207 119.662 119.914 -0.073 0.000 2.680 425 V HA 0.266 4.386 4.120 -0.000 0.000 0.309 425 V C -1.576 174.482 176.094 -0.060 0.000 1.052 425 V CA -1.262 61.009 62.300 -0.048 0.000 0.908 425 V CB 1.552 33.367 31.823 -0.014 0.000 1.001 425 V HN 0.151 nan 8.190 nan 0.000 0.431 426 P HA -0.144 nan 4.420 nan 0.000 0.216 426 P C 0.904 178.190 177.300 -0.022 0.000 1.167 426 P CA 1.611 64.700 63.100 -0.019 0.000 0.914 426 P CB 0.159 31.859 31.700 -0.000 0.000 0.793 427 G N -0.805 107.992 108.800 -0.005 0.000 3.964 427 G HA2 0.346 4.306 3.960 -0.000 0.000 0.289 427 G HA3 0.346 4.306 3.960 -0.000 0.000 0.289 427 G C -0.527 174.356 174.900 -0.029 0.000 1.176 427 G CA 0.024 45.132 45.100 0.013 0.000 1.553 427 G HN 0.219 nan 8.290 nan 0.000 0.588 428 S N 0.387 115.963 115.700 -0.206 0.000 2.482 428 S HA 0.477 4.947 4.470 -0.000 0.000 0.303 428 S C 0.641 174.995 174.600 -0.410 0.000 1.091 428 S CA -0.804 57.023 58.200 -0.620 0.000 1.057 428 S CB 0.720 63.326 63.200 -0.989 0.000 1.031 428 S HN 0.520 nan 8.310 nan 0.000 0.485 429 Y N 2.350 122.510 120.300 -0.234 0.000 2.457 429 Y HA 0.659 5.209 4.550 -0.000 0.000 0.263 429 Y C 0.473 176.329 175.900 -0.073 0.000 1.164 429 Y CA -0.588 57.471 58.100 -0.069 0.000 1.274 429 Y CB -0.835 37.656 38.460 0.050 0.000 1.097 429 Y HN 0.595 nan 8.280 nan 0.000 0.523 430 A N 1.644 124.301 122.820 -0.271 0.000 2.302 430 A HA 0.707 5.026 4.320 -0.000 0.000 0.285 430 A C 0.506 178.077 177.584 -0.023 0.000 1.105 430 A CA -0.806 51.206 52.037 -0.041 0.000 0.816 430 A CB 0.546 19.422 19.000 -0.207 0.000 1.067 430 A HN 0.337 nan 8.150 nan 0.000 0.489 431 R N 1.509 122.062 120.500 0.089 0.000 2.772 431 R HA 0.234 4.574 4.340 -0.000 0.000 0.358 431 R C 0.417 176.776 176.300 0.099 0.000 1.143 431 R CA 0.122 56.267 56.100 0.075 0.000 1.153 431 R CB 0.518 30.871 30.300 0.089 0.000 1.329 431 R HN 0.839 nan 8.270 nan 0.000 0.615 432 G N 0.023 108.889 108.800 0.110 0.000 2.537 432 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 432 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 432 G C -0.647 174.331 174.900 0.131 0.000 1.310 432 G CA -0.275 44.898 45.100 0.122 0.000 1.027 432 G HN 0.115 nan 8.290 nan 0.000 0.505 433 E N -0.547 119.746 120.200 0.155 0.000 2.275 433 E HA 0.342 4.692 4.350 -0.000 0.000 0.270 433 E C -0.839 175.892 176.600 0.218 0.000 0.882 433 E CA -0.584 55.920 56.400 0.174 0.000 0.758 433 E CB 2.132 31.944 29.700 0.187 0.000 1.195 433 E HN 0.390 nan 8.360 nan 0.000 0.419 434 S N 2.365 118.201 115.700 0.227 0.000 2.560 434 S HA 0.146 4.616 4.470 -0.000 0.000 0.284 434 S C -0.463 174.344 174.600 0.345 0.000 1.327 434 S CA -0.276 58.095 58.200 0.285 0.000 1.055 434 S CB 0.170 63.522 63.200 0.253 0.000 0.868 434 S HN 0.398 nan 8.310 nan 0.000 0.506 443 H N 2.059 121.241 119.070 0.187 0.000 2.629 443 H HA 0.515 5.071 4.556 -0.000 0.000 0.357 443 H C 0.941 176.472 175.328 0.339 0.000 1.121 443 H CA 0.066 56.240 56.048 0.209 0.000 1.406 443 H CB 1.493 31.347 29.762 0.154 0.000 1.456 443 H HN 0.875 nan 8.280 nan 0.000 0.579 444 G N 0.959 110.007 108.800 0.414 0.000 2.716 444 G HA2 0.163 4.123 3.960 -0.000 0.000 0.251 444 G HA3 0.163 4.123 3.960 -0.000 0.000 0.251 444 G C -0.505 174.594 174.900 0.332 0.000 1.224 444 G CA -0.377 44.883 45.100 0.267 0.000 0.891 444 G HN 0.541 nan 8.290 nan 0.000 0.561 445 T N 1.401 116.031 114.554 0.126 0.000 2.812 445 T HA 0.381 4.731 4.350 -0.000 0.000 0.282 445 T C -0.253 174.417 174.700 -0.050 0.000 0.990 445 T CA -0.639 61.563 62.100 0.170 0.000 0.960 445 T CB 1.241 70.305 68.868 0.327 0.000 0.948 445 T HN 0.426 nan 8.240 nan 0.000 0.438 446 N N 1.281 120.010 118.700 0.048 0.000 2.482 446 N HA 0.828 5.568 4.740 -0.000 0.000 0.279 446 N C 0.442 176.010 175.510 0.097 0.000 1.182 446 N CA -0.017 53.080 53.050 0.078 0.000 0.969 446 N CB 1.799 40.363 38.487 0.128 0.000 1.201 446 N HN 1.056 nan 8.380 nan 0.000 0.523 450 A N 0.596 123.586 122.820 0.284 0.000 1.933 450 A HA 0.299 4.619 4.320 -0.000 0.000 0.218 450 A C 2.303 180.015 177.584 0.214 0.000 1.175 450 A CA 2.479 54.654 52.037 0.230 0.000 0.628 450 A CB -0.816 18.286 19.000 0.170 0.000 0.814 450 A HN 1.585 nan 8.150 nan 0.000 0.444 451 A N -0.364 122.570 122.820 0.190 0.000 1.929 451 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 451 A C 2.110 179.826 177.584 0.220 0.000 1.176 451 A CA 1.295 53.435 52.037 0.172 0.000 0.628 451 A CB -0.482 18.600 19.000 0.138 0.000 0.816 451 A HN 0.455 nan 8.150 nan 0.000 0.444 452 L N -0.922 120.428 121.223 0.211 0.000 2.156 452 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 452 L C 2.801 180.085 176.870 0.690 0.000 1.095 452 L CA 0.891 55.911 54.840 0.300 0.000 0.770 452 L CB -0.376 41.496 42.059 -0.313 0.000 0.914 452 L HN 0.397 nan 8.230 nan 0.000 0.439 453 A N -0.542 122.657 122.820 0.632 0.000 2.206 453 A HA 0.256 4.576 4.320 -0.000 0.000 0.211 453 A C 1.813 179.533 177.584 0.227 0.000 1.158 453 A CA 0.960 53.321 52.037 0.540 0.000 0.761 453 A CB -0.347 18.860 19.000 0.346 0.000 0.801 453 A HN 0.537 nan 8.150 nan 0.000 0.473 454 G N -1.011 107.976 108.800 0.311 0.000 2.201 454 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 454 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 454 G C 0.917 175.871 174.900 0.090 0.000 0.994 454 G CA 0.279 45.484 45.100 0.175 0.000 0.644 454 G HN 0.361 nan 8.290 nan 0.000 0.508 455 I N 0.618 121.246 120.570 0.096 0.000 2.226 455 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 455 I C 2.688 178.856 176.117 0.085 0.000 1.100 455 I CA 2.103 63.449 61.300 0.076 0.000 1.374 455 I CB -0.274 37.779 38.000 0.088 0.000 1.057 455 I HN 0.433 nan 8.210 nan 0.000 0.413 456 Q N 1.142 121.007 119.800 0.108 0.000 2.020 456 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 456 Q C 2.368 178.419 176.000 0.084 0.000 0.982 456 Q CA 2.122 57.983 55.803 0.096 0.000 0.838 456 Q CB -0.125 28.677 28.738 0.107 0.000 0.899 456 Q HN 0.528 nan 8.270 nan 0.000 0.423 457 A N 0.741 123.619 122.820 0.097 0.000 1.908 457 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 457 A C 2.273 179.899 177.584 0.070 0.000 1.181 457 A CA 1.844 53.931 52.037 0.085 0.000 0.627 457 A CB -1.023 18.041 19.000 0.106 0.000 0.818 457 A HN 0.575 nan 8.150 nan 0.000 0.445 458 A N -0.948 121.912 122.820 0.066 0.000 1.933 458 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 458 A C 2.125 179.736 177.584 0.044 0.000 1.175 458 A CA 1.632 53.698 52.037 0.049 0.000 0.628 458 A CB -0.501 18.519 19.000 0.034 0.000 0.814 458 A HN 0.667 nan 8.150 nan 0.000 0.444 459 Q N -0.564 119.265 119.800 0.048 0.000 2.079 459 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 459 Q C 1.916 177.941 176.000 0.041 0.000 0.974 459 Q CA 1.491 57.320 55.803 0.043 0.000 0.840 459 Q CB -0.171 28.595 28.738 0.047 0.000 0.898 459 Q HN 0.783 nan 8.270 nan 0.000 0.430 460 E N 0.487 120.714 120.200 0.045 0.000 2.153 460 E HA -0.156 4.193 4.350 -0.000 0.000 0.194 460 E C 1.524 178.145 176.600 0.036 0.000 0.988 460 E CA 1.070 57.495 56.400 0.041 0.000 0.811 460 E CB -0.040 29.686 29.700 0.044 0.000 0.746 460 E HN 0.286 nan 8.360 nan 0.000 0.466 461 A N 0.407 123.250 122.820 0.038 0.000 2.275 461 A HA 0.322 4.642 4.320 -0.000 0.000 0.212 461 A C 1.631 179.233 177.584 0.031 0.000 1.201 461 A CA 0.524 52.582 52.037 0.034 0.000 0.843 461 A CB -0.134 18.889 19.000 0.038 0.000 0.873 461 A HN 0.273 nan 8.150 nan 0.000 0.492 462 G N 0.284 109.102 108.800 0.031 0.000 2.305 462 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.287 462 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.287 462 G C -0.157 174.759 174.900 0.026 0.000 1.036 462 G CA 0.473 45.589 45.100 0.027 0.000 0.887 462 G HN 0.528 nan 8.290 nan 0.000 0.505 463 D N 0.179 120.596 120.400 0.029 0.000 2.456 463 D HA 0.606 5.246 4.640 -0.000 0.000 0.219 463 D C 1.485 177.800 176.300 0.025 0.000 1.126 463 D CA 0.337 54.354 54.000 0.028 0.000 0.890 463 D CB 0.620 41.440 40.800 0.033 0.000 1.025 463 D HN 0.294 nan 8.370 nan 0.000 0.511 464 A N 3.951 126.784 122.820 0.022 0.000 1.883 464 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 464 A C 2.121 179.716 177.584 0.018 0.000 1.186 464 A CA 1.913 53.962 52.037 0.019 0.000 0.624 464 A CB -0.483 18.528 19.000 0.018 0.000 0.822 464 A HN 0.603 nan 8.150 nan 0.000 0.444 465 A N -0.158 122.674 122.820 0.020 0.000 1.865 465 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 465 A C 2.538 180.132 177.584 0.018 0.000 1.191 465 A CA 2.369 54.418 52.037 0.020 0.000 0.623 465 A CB -1.147 17.867 19.000 0.025 0.000 0.826 465 A HN 1.159 nan 8.150 nan 0.000 0.444 466 A N -0.831 122.001 122.820 0.020 0.000 1.972 466 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 466 A C 2.106 179.683 177.584 -0.011 0.000 1.169 466 A CA 1.685 53.728 52.037 0.011 0.000 0.635 466 A CB -0.555 18.462 19.000 0.028 0.000 0.810 466 A HN 0.691 nan 8.150 nan 0.000 0.446 467 L N -0.178 121.047 121.223 0.003 0.000 2.046 467 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 467 L C 2.628 179.493 176.870 -0.009 0.000 1.077 467 L CA 2.195 57.036 54.840 0.002 0.000 0.747 467 L CB -0.889 41.180 42.059 0.015 0.000 0.896 467 L HN 0.328 nan 8.230 nan 0.000 0.432 468 A N -1.107 121.711 122.820 -0.003 0.000 1.902 468 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 468 A C 2.248 179.821 177.584 -0.018 0.000 1.181 468 A CA 2.033 54.068 52.037 -0.004 0.000 0.623 468 A CB -1.112 17.891 19.000 0.005 0.000 0.818 468 A HN 0.313 nan 8.150 nan 0.000 0.443 469 V N -0.115 119.785 119.914 -0.023 0.000 2.343 469 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 469 V C 3.038 179.038 176.094 -0.157 0.000 1.051 469 V CA 1.874 64.150 62.300 -0.039 0.000 1.036 469 V CB -1.283 30.535 31.823 -0.009 0.000 0.654 469 V HN 0.613 nan 8.190 nan 0.000 0.451 470 A N -0.209 122.512 122.820 -0.165 0.000 1.933 470 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 470 A C 2.390 179.906 177.584 -0.113 0.000 1.175 470 A CA 2.022 53.940 52.037 -0.198 0.000 0.628 470 A CB -0.652 18.278 19.000 -0.116 0.000 0.814 470 A HN 0.346 nan 8.150 nan 0.000 0.444 471 V N 0.614 120.493 119.914 -0.058 0.000 2.407 471 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 471 V C 2.101 178.171 176.094 -0.039 0.000 1.055 471 V CA 2.190 64.477 62.300 -0.022 0.000 1.049 471 V CB -0.733 31.087 31.823 -0.004 0.000 0.662 471 V HN 0.517 nan 8.190 nan 0.000 0.455 472 D N -0.019 120.344 120.400 -0.061 0.000 2.117 472 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 472 D C 2.389 178.627 176.300 -0.104 0.000 0.987 472 D CA 1.140 55.108 54.000 -0.052 0.000 0.829 472 D CB -0.222 40.578 40.800 0.000 0.000 0.961 472 D HN 0.430 nan 8.370 nan 0.000 0.460 473 R N 0.162 120.524 120.500 -0.231 0.000 2.073 473 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 473 R C 2.387 178.589 176.300 -0.163 0.000 1.134 473 R CA 0.609 56.522 56.100 -0.312 0.000 0.952 473 R CB -0.564 29.458 30.300 -0.463 0.000 0.850 473 R HN 0.150 nan 8.270 nan 0.000 0.433 474 L N 0.906 122.092 121.223 -0.062 0.000 2.017 474 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 474 L C 2.166 179.095 176.870 0.098 0.000 1.073 474 L CA 1.558 56.427 54.840 0.048 0.000 0.745 474 L CB -0.339 41.797 42.059 0.128 0.000 0.894 474 L HN -0.100 nan 8.230 nan 0.000 0.432 475 V N -0.418 119.529 119.914 0.055 0.000 2.407 475 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 475 V C 2.501 178.632 176.094 0.062 0.000 1.055 475 V CA 1.637 63.977 62.300 0.066 0.000 1.049 475 V CB -0.690 31.132 31.823 -0.001 0.000 0.662 475 V HN 0.545 nan 8.190 nan 0.000 0.455 476 L N -0.076 121.144 121.223 -0.006 0.000 1.989 476 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 476 L C 2.220 179.109 176.870 0.032 0.000 1.071 476 L CA 2.039 56.875 54.840 -0.008 0.000 0.749 476 L CB -0.623 41.340 42.059 -0.159 0.000 0.890 476 L HN 0.209 nan 8.230 nan 0.000 0.431 477 L N -1.979 119.192 121.223 -0.088 0.000 2.083 477 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 477 L C 2.497 179.278 176.870 -0.148 0.000 1.083 477 L CA 1.360 56.086 54.840 -0.190 0.000 0.752 477 L CB -0.755 40.987 42.059 -0.528 0.000 0.899 477 L HN 0.299 nan 8.230 nan 0.000 0.433 478 Y N -0.034 120.260 120.300 -0.010 0.000 2.314 478 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 478 Y C 2.627 178.599 175.900 0.120 0.000 1.129 478 Y CA 0.969 59.098 58.100 0.049 0.000 1.201 478 Y CB -0.446 38.040 38.460 0.043 0.000 0.999 478 Y HN 0.099 nan 8.280 nan 0.000 0.541 479 A N 0.186 123.173 122.820 0.279 0.000 1.908 479 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 479 A C 2.243 180.130 177.584 0.506 0.000 1.181 479 A CA 1.830 54.084 52.037 0.362 0.000 0.627 479 A CB -1.036 18.128 19.000 0.273 0.000 0.818 479 A HN 0.478 nan 8.150 nan 0.000 0.445 480 I N -0.348 120.449 120.570 0.377 0.000 2.163 480 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 480 I C 3.006 179.236 176.117 0.188 0.000 1.085 480 I CA 1.186 62.663 61.300 0.295 0.000 1.347 480 I CB -0.393 37.684 38.000 0.129 0.000 1.044 480 I HN 0.375 nan 8.210 nan 0.000 0.408 481 A N 0.814 123.700 122.820 0.110 0.000 1.902 481 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 481 A C 2.244 179.924 177.584 0.161 0.000 1.181 481 A CA 1.414 53.500 52.037 0.082 0.000 0.623 481 A CB -0.894 18.128 19.000 0.037 0.000 0.818 481 A HN 0.420 nan 8.150 nan 0.000 0.443 482 L N -0.912 120.465 121.223 0.257 0.000 2.362 482 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 482 L C 1.682 178.674 176.870 0.204 0.000 1.134 482 L CA 0.292 55.299 54.840 0.279 0.000 0.807 482 L CB -0.627 41.667 42.059 0.392 0.000 0.927 482 L HN 0.459 nan 8.230 nan 0.000 0.447 486 G N 0.310 109.107 108.800 -0.005 0.000 2.233 486 G HA2 0.229 4.189 3.960 -0.000 0.000 0.162 486 G HA3 0.229 4.189 3.960 -0.000 0.000 0.162 486 G C -1.895 172.977 174.900 -0.047 0.000 1.327 486 G CA -0.096 45.003 45.100 -0.001 0.000 1.187 486 G HN 0.538 nan 8.290 nan 0.000 0.479 487 V N 2.652 122.524 119.914 -0.070 0.000 2.334 487 V HA 0.543 4.662 4.120 -0.000 0.000 0.281 487 V C -2.286 173.778 176.094 -0.049 0.000 1.016 487 V CA -1.202 61.012 62.300 -0.144 0.000 0.832 487 V CB 1.652 33.222 31.823 -0.423 0.000 0.999 487 V HN 0.484 nan 8.190 nan 0.000 0.439 488 P HA 0.311 nan 4.420 nan 0.000 0.282 488 P C -0.632 176.765 177.300 0.162 0.000 1.262 488 P CA -0.162 63.013 63.100 0.124 0.000 0.773 488 P CB 0.806 32.602 31.700 0.160 0.000 0.879 489 L N 5.359 126.710 121.223 0.213 0.000 2.283 489 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 489 L C -0.307 176.780 176.870 0.361 0.000 1.033 489 L CA -0.798 54.196 54.840 0.256 0.000 0.848 489 L CB 0.178 42.358 42.059 0.201 0.000 1.226 489 L HN 0.271 nan 8.230 nan 0.000 0.429 490 I N 4.698 125.483 120.570 0.359 0.000 2.556 490 I HA 0.016 4.185 4.170 -0.000 0.000 0.284 490 I C -0.081 176.138 176.117 0.169 0.000 1.114 490 I CA 0.010 61.529 61.300 0.366 0.000 1.418 490 I CB 0.462 38.608 38.000 0.244 0.000 1.394 490 I HN 0.505 nan 8.210 nan 0.000 0.552 494 D N 1.843 122.285 120.400 0.069 0.000 2.178 494 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 494 D C 2.459 178.785 176.300 0.042 0.000 0.980 494 D CA 1.342 55.415 54.000 0.122 0.000 0.842 494 D CB 0.056 41.002 40.800 0.243 0.000 0.948 494 D HN 0.634 nan 8.370 nan 0.000 0.472 495 E N 0.677 120.905 120.200 0.047 0.000 2.409 495 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 495 E C 1.522 178.222 176.600 0.167 0.000 1.024 495 E CA 0.572 57.001 56.400 0.047 0.000 0.861 495 E CB -0.275 29.495 29.700 0.116 0.000 0.788 495 E HN 0.352 nan 8.360 nan 0.000 0.521 496 L N 0.239 121.554 121.223 0.154 0.000 2.766 496 L HA 0.427 4.767 4.340 -0.000 0.000 0.242 496 L C 0.832 177.755 176.870 0.087 0.000 1.136 496 L CA 0.075 54.992 54.840 0.128 0.000 0.933 496 L CB 0.006 42.118 42.059 0.088 0.000 1.241 496 L HN 0.158 nan 8.230 nan 0.000 0.522 500 N N 1.740 120.515 118.700 0.126 0.000 2.344 500 N HA 0.330 5.070 4.740 -0.000 0.000 0.236 500 N C -0.756 174.835 175.510 0.135 0.000 1.279 500 N CA 0.662 53.797 53.050 0.141 0.000 0.882 500 N CB 0.238 38.813 38.487 0.147 0.000 1.110 500 N HN 0.994 nan 8.380 nan 0.000 0.436 501 D N 0.407 120.904 120.400 0.161 0.000 2.438 501 D HA 0.254 4.893 4.640 -0.000 0.000 0.257 501 D C -2.001 174.449 176.300 0.250 0.000 1.148 501 D CA -1.908 52.194 54.000 0.170 0.000 0.902 501 D CB 1.089 41.990 40.800 0.169 0.000 1.062 501 D HN 0.236 nan 8.370 nan 0.000 0.518 502 P HA 0.086 nan 4.420 nan 0.000 0.245 502 P C 1.366 178.707 177.300 0.069 0.000 1.212 502 P CA 0.075 63.287 63.100 0.186 0.000 0.774 502 P CB 0.382 32.138 31.700 0.094 0.000 0.999 503 G N 1.477 110.339 108.800 0.104 0.000 2.469 503 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 503 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 503 G C 1.487 176.361 174.900 -0.043 0.000 1.136 503 G CA 0.993 46.108 45.100 0.025 0.000 0.759 503 G HN 0.358 nan 8.290 nan 0.000 0.562 504 Y N 0.904 121.167 120.300 -0.062 0.000 2.298 504 Y HA -0.053 4.497 4.550 -0.000 0.000 0.287 504 Y C 2.447 178.271 175.900 -0.126 0.000 1.164 504 Y CA 1.234 59.227 58.100 -0.178 0.000 1.229 504 Y CB -0.592 37.764 38.460 -0.174 0.000 0.977 504 Y HN 0.136 nan 8.280 nan 0.000 0.538 505 R N 0.998 120.877 120.500 -1.035 0.000 2.293 505 R HA -0.077 4.263 4.340 -0.000 0.000 0.219 505 R C 0.203 176.286 176.300 -0.362 0.000 1.091 505 R CA 1.332 56.944 56.100 -0.815 0.000 1.004 505 R CB -0.425 29.494 30.300 -0.635 0.000 0.865 505 R HN 0.461 nan 8.270 nan 0.000 0.469 506 D N 0.452 120.694 120.400 -0.262 0.000 2.559 506 D HA 0.047 4.687 4.640 -0.000 0.000 0.234 506 D C -0.853 175.358 176.300 -0.148 0.000 1.226 506 D CA 0.168 54.068 54.000 -0.166 0.000 0.830 506 D CB 0.379 41.108 40.800 -0.119 0.000 1.028 506 D HN 0.371 nan 8.370 nan 0.000 0.492 507 D N -0.562 119.734 120.400 -0.174 0.000 2.764 507 D HA 0.059 4.699 4.640 -0.000 0.000 0.227 507 D C -2.293 173.868 176.300 -0.231 0.000 1.347 507 D CA -1.379 52.510 54.000 -0.185 0.000 0.953 507 D CB 2.754 43.472 40.800 -0.137 0.000 1.476 507 D HN -0.200 nan 8.370 nan 0.000 0.585 508 P HA -0.200 nan 4.420 nan 0.000 0.225 508 P C 0.607 177.738 177.300 -0.282 0.000 1.141 508 P CA 0.997 63.911 63.100 -0.308 0.000 0.774 508 P CB 0.041 31.526 31.700 -0.359 0.000 0.760 509 H N -0.617 118.435 119.070 -0.029 0.000 2.520 509 H HA 0.218 4.774 4.556 -0.000 0.000 0.279 509 H C 1.799 177.163 175.328 0.059 0.000 0.990 509 H CA 0.665 56.709 56.048 -0.007 0.000 1.288 509 H CB 0.238 29.967 29.762 -0.056 0.000 1.446 509 H HN 0.261 nan 8.280 nan 0.000 0.538 510 R N 0.032 120.550 120.500 0.031 0.000 2.394 510 R HA 0.082 4.422 4.340 -0.000 0.000 0.220 510 R C 2.007 178.389 176.300 0.137 0.000 0.887 510 R CA 0.004 56.035 56.100 -0.116 0.000 1.034 510 R CB 0.399 30.172 30.300 -0.879 0.000 1.179 510 R HN 0.123 nan 8.270 nan 0.000 0.561 511 Q N 1.403 121.277 119.800 0.124 0.000 2.224 511 Q HA -0.262 4.078 4.340 -0.000 0.000 0.213 511 Q C 1.573 177.735 176.000 0.270 0.000 0.998 511 Q CA 2.209 58.079 55.803 0.112 0.000 0.895 511 Q CB -0.081 28.659 28.738 0.004 0.000 0.926 511 Q HN 0.598 nan 8.270 nan 0.000 0.417 512 H N -1.229 117.948 119.070 0.180 0.000 2.551 512 H HA 0.085 4.641 4.556 -0.000 0.000 0.266 512 H C -0.215 175.289 175.328 0.293 0.000 0.977 512 H CA 0.817 56.986 56.048 0.202 0.000 1.163 512 H CB 0.171 30.023 29.762 0.150 0.000 1.381 512 H HN 0.128 nan 8.280 nan 0.000 0.581 513 E N 1.262 121.376 120.200 -0.143 0.000 2.103 513 E HA 0.299 4.649 4.350 -0.000 0.000 0.254 513 E C 1.257 177.925 176.600 0.114 0.000 0.940 513 E CA -0.291 56.106 56.400 -0.005 0.000 0.771 513 E CB 0.465 30.186 29.700 0.036 0.000 1.153 513 E HN 0.395 nan 8.360 nan 0.000 0.428 514 G N 3.810 112.741 108.800 0.218 0.000 2.479 514 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 514 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 514 G C 1.304 176.016 174.900 -0.314 0.000 1.115 514 G CA 0.297 45.448 45.100 0.085 0.000 0.757 514 G HN 0.475 nan 8.290 nan 0.000 0.560 515 R N -1.068 119.188 120.500 -0.406 0.000 2.237 515 R HA -0.057 4.283 4.340 -0.000 0.000 0.219 515 R C 2.003 177.769 176.300 -0.890 0.000 1.080 515 R CA 0.614 56.274 56.100 -0.734 0.000 0.995 515 R CB -0.238 29.685 30.300 -0.629 0.000 0.875 515 R HN 0.531 nan 8.270 nan 0.000 0.462 516 W N 0.430 121.240 121.300 -0.818 0.000 2.468 516 W HA -0.122 4.538 4.660 -0.000 0.000 0.262 516 W C 1.790 177.932 176.519 -0.628 0.000 1.241 516 W CA 0.357 57.281 57.345 -0.702 0.000 1.232 516 W CB -0.193 28.852 29.460 -0.692 0.000 1.124 516 W HN 0.106 nan 8.180 nan 0.000 0.597 517 L N 0.732 121.632 121.223 -0.539 0.000 2.129 517 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 517 L C 1.973 178.842 176.870 -0.001 0.000 1.087 517 L CA 1.990 56.760 54.840 -0.117 0.000 0.757 517 L CB -0.743 41.319 42.059 0.005 0.000 0.896 517 L HN 0.279 nan 8.230 nan 0.000 0.434 518 H N -2.120 116.958 119.070 0.013 0.000 2.481 518 H HA 0.405 4.961 4.556 -0.000 0.000 0.273 518 H C -0.046 175.388 175.328 0.177 0.000 1.145 518 H CA -0.427 55.683 56.048 0.103 0.000 0.964 518 H CB -0.111 29.706 29.762 0.091 0.000 1.722 518 H HN 0.313 nan 8.280 nan 0.000 0.573 519 R N 1.945 122.473 120.500 0.047 0.000 2.795 519 R HA 0.237 4.577 4.340 -0.000 0.000 0.320 519 R C -2.739 173.620 176.300 0.098 0.000 1.223 519 R CA -1.388 54.750 56.100 0.065 0.000 1.305 519 R CB 1.046 31.173 30.300 -0.289 0.000 1.318 519 R HN 0.339 nan 8.270 nan 0.000 0.636 520 P HA 0.104 nan 4.420 nan 0.000 0.272 520 P C -0.189 177.164 177.300 0.088 0.000 1.240 520 P CA -0.025 63.143 63.100 0.113 0.000 0.791 520 P CB 1.031 32.779 31.700 0.080 0.000 0.978 524 W N 1.878 123.100 121.300 -0.130 0.000 2.611 524 W HA -0.031 4.629 4.660 -0.000 0.000 0.251 524 W C 2.176 178.627 176.519 -0.114 0.000 1.265 524 W CA 0.147 57.388 57.345 -0.172 0.000 1.295 524 W CB 0.336 29.677 29.460 -0.198 0.000 1.129 524 W HN 0.378 nan 8.180 nan 0.000 0.630 525 Q N -0.308 119.536 119.800 0.074 0.000 2.096 525 Q HA -0.086 4.254 4.340 -0.000 0.000 0.197 525 Q C 2.272 178.277 176.000 0.008 0.000 0.964 525 Q CA 0.829 56.661 55.803 0.049 0.000 0.838 525 Q CB -1.028 27.732 28.738 0.036 0.000 0.906 525 Q HN 0.356 nan 8.270 nan 0.000 0.444 526 L N 0.850 122.053 121.223 -0.033 0.000 2.083 526 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 526 L C 2.048 178.880 176.870 -0.064 0.000 1.083 526 L CA 1.895 56.708 54.840 -0.045 0.000 0.752 526 L CB -0.696 41.327 42.059 -0.060 0.000 0.899 526 L HN 0.123 nan 8.230 nan 0.000 0.433 527 A N -0.568 122.188 122.820 -0.107 0.000 1.972 527 A HA -0.082 4.237 4.320 -0.000 0.000 0.219 527 A C 2.402 179.951 177.584 -0.059 0.000 1.169 527 A CA 1.509 53.486 52.037 -0.100 0.000 0.635 527 A CB -1.018 17.827 19.000 -0.258 0.000 0.810 527 A HN 0.541 nan 8.150 nan 0.000 0.446 528 A N -0.764 122.052 122.820 -0.007 0.000 2.067 528 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 528 A C 1.935 179.484 177.584 -0.058 0.000 1.158 528 A CA 1.288 53.329 52.037 0.006 0.000 0.661 528 A CB -0.421 18.628 19.000 0.082 0.000 0.801 528 A HN 0.664 nan 8.150 nan 0.000 0.452 529 Q N -0.542 119.218 119.800 -0.067 0.000 2.472 529 Q HA -0.096 4.244 4.340 -0.000 0.000 0.208 529 Q C 1.929 177.853 176.000 -0.127 0.000 0.958 529 Q CA 0.725 56.497 55.803 -0.053 0.000 0.932 529 Q CB -0.138 28.587 28.738 -0.022 0.000 1.007 529 Q HN 0.856 nan 8.270 nan 0.000 0.508 530 R N 0.089 120.407 120.500 -0.303 0.000 2.241 530 R HA -0.155 4.185 4.340 -0.000 0.000 0.224 530 R C 0.933 177.019 176.300 -0.358 0.000 1.101 530 R CA 1.282 57.113 56.100 -0.449 0.000 0.995 530 R CB -0.176 29.573 30.300 -0.919 0.000 0.870 530 R HN 0.345 nan 8.270 nan 0.000 0.463 531 H N 0.075 119.090 119.070 -0.091 0.000 2.512 531 H HA 0.031 4.587 4.556 -0.000 0.000 0.279 531 H C -0.131 175.189 175.328 -0.014 0.000 0.999 531 H CA 0.580 56.601 56.048 -0.045 0.000 1.283 531 H CB -0.109 29.637 29.762 -0.027 0.000 1.421 531 H HN 0.269 nan 8.280 nan 0.000 0.554 532 D N 0.894 121.341 120.400 0.079 0.000 2.468 532 D HA 0.230 4.870 4.640 -0.000 0.000 0.218 532 D C 1.169 177.494 176.300 0.042 0.000 1.155 532 D CA -0.137 53.898 54.000 0.058 0.000 0.924 532 D CB 0.522 41.348 40.800 0.044 0.000 1.029 532 D HN 0.134 nan 8.370 nan 0.000 0.515 533 A N 4.652 127.503 122.820 0.050 0.000 2.194 533 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 533 A C 1.943 179.550 177.584 0.038 0.000 1.162 533 A CA 1.105 53.171 52.037 0.048 0.000 0.674 533 A CB -0.176 18.854 19.000 0.049 0.000 0.789 533 A HN 0.405 nan 8.150 nan 0.000 0.470 534 K N 0.476 120.896 120.400 0.033 0.000 2.361 534 K HA 0.042 4.362 4.320 -0.000 0.000 0.196 534 K C 1.016 177.633 176.600 0.027 0.000 1.039 534 K CA 0.740 57.044 56.287 0.028 0.000 1.001 534 K CB -0.088 32.427 32.500 0.025 0.000 0.795 534 K HN 0.657 nan 8.250 nan 0.000 0.495 535 S N 0.392 116.108 115.700 0.028 0.000 2.632 535 S HA 0.101 4.571 4.470 -0.000 0.000 0.267 535 S C 1.281 175.899 174.600 0.030 0.000 1.276 535 S CA -0.668 57.548 58.200 0.026 0.000 0.998 535 S CB 1.104 64.316 63.200 0.020 0.000 0.953 535 S HN 0.076 nan 8.310 nan 0.000 0.547 536 L N 1.777 123.019 121.223 0.031 0.000 2.027 536 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 536 L C 2.448 179.346 176.870 0.046 0.000 1.074 536 L CA 2.106 56.968 54.840 0.036 0.000 0.745 536 L CB -1.354 40.727 42.059 0.037 0.000 0.898 536 L HN 0.840 nan 8.230 nan 0.000 0.433 537 S N 0.013 115.738 115.700 0.043 0.000 2.356 537 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 537 S C 1.905 176.550 174.600 0.074 0.000 1.032 537 S CA 1.161 59.394 58.200 0.055 0.000 1.005 537 S CB -1.163 62.053 63.200 0.026 0.000 0.867 537 S HN 0.705 nan 8.310 nan 0.000 0.449 538 G N 1.019 109.842 108.800 0.039 0.000 2.432 538 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 538 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 538 G C 1.432 176.389 174.900 0.095 0.000 1.135 538 G CA 1.431 46.558 45.100 0.045 0.000 0.767 538 G HN 0.484 nan 8.290 nan 0.000 0.550 539 T N 0.619 115.215 114.554 0.070 0.000 2.770 539 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 539 T C 2.564 177.302 174.700 0.063 0.000 1.039 539 T CA 1.126 63.261 62.100 0.059 0.000 1.142 539 T CB -0.237 68.654 68.868 0.039 0.000 0.868 539 T HN 0.046 nan 8.240 nan 0.000 0.435 540 V N 0.538 120.494 119.914 0.069 0.000 2.295 540 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 540 V C 2.029 178.158 176.094 0.058 0.000 1.049 540 V CA 1.654 63.986 62.300 0.053 0.000 1.024 540 V CB -0.690 31.169 31.823 0.060 0.000 0.648 540 V HN 0.497 nan 8.190 nan 0.000 0.447 541 Y N 1.214 121.503 120.300 -0.018 0.000 2.097 541 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 541 Y C 2.820 178.701 175.900 -0.031 0.000 1.152 541 Y CA 2.471 60.554 58.100 -0.027 0.000 1.136 541 Y CB -0.293 38.155 38.460 -0.019 0.000 0.975 541 Y HN 0.081 nan 8.280 nan 0.000 0.498 542 R N 0.163 120.786 120.500 0.205 0.000 2.091 542 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 542 R C 2.425 178.716 176.300 -0.014 0.000 1.136 542 R CA 1.668 57.834 56.100 0.110 0.000 0.959 542 R CB -0.206 30.162 30.300 0.113 0.000 0.856 542 R HN 0.310 nan 8.270 nan 0.000 0.437 543 R N 0.249 120.733 120.500 -0.026 0.000 2.075 543 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 543 R C 2.406 178.639 176.300 -0.111 0.000 1.126 543 R CA 1.279 57.341 56.100 -0.063 0.000 0.963 543 R CB -0.360 29.912 30.300 -0.047 0.000 0.858 543 R HN 0.319 nan 8.270 nan 0.000 0.435 544 L N -0.034 121.103 121.223 -0.144 0.000 2.056 544 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 544 L C 2.653 179.402 176.870 -0.203 0.000 1.078 544 L CA 1.101 55.829 54.840 -0.186 0.000 0.749 544 L CB -0.355 41.543 42.059 -0.268 0.000 0.901 544 L HN 0.063 nan 8.230 nan 0.000 0.433 545 R N 0.605 120.944 120.500 -0.269 0.000 2.105 545 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 545 R C 2.183 178.418 176.300 -0.109 0.000 1.135 545 R CA 1.546 57.507 56.100 -0.233 0.000 0.967 545 R CB -0.909 29.238 30.300 -0.254 0.000 0.861 545 R HN 0.329 nan 8.270 nan 0.000 0.442 546 G N 0.205 108.948 108.800 -0.095 0.000 2.421 546 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 546 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 546 G C 1.406 176.253 174.900 -0.089 0.000 1.171 546 G CA 0.954 46.011 45.100 -0.071 0.000 0.775 546 G HN 0.314 nan 8.290 nan 0.000 0.543 547 L N 0.046 121.180 121.223 -0.149 0.000 2.046 547 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 547 L C 2.871 179.749 176.870 0.013 0.000 1.077 547 L CA 0.646 55.362 54.840 -0.205 0.000 0.747 547 L CB -0.354 41.558 42.059 -0.245 0.000 0.896 547 L HN 0.196 nan 8.230 nan 0.000 0.432 548 I N -0.506 120.071 120.570 0.010 0.000 2.163 548 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 548 I C 2.795 178.960 176.117 0.081 0.000 1.085 548 I CA 1.412 62.746 61.300 0.056 0.000 1.347 548 I CB -0.369 37.627 38.000 -0.007 0.000 1.044 548 I HN 0.221 nan 8.210 nan 0.000 0.408 549 R N 0.098 120.628 120.500 0.051 0.000 2.081 549 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 549 R C 2.305 178.674 176.300 0.114 0.000 1.131 549 R CA 1.457 57.598 56.100 0.070 0.000 0.960 549 R CB -0.494 29.834 30.300 0.047 0.000 0.856 549 R HN 0.313 nan 8.270 nan 0.000 0.436 550 Q N 1.386 121.273 119.800 0.145 0.000 2.084 550 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 550 Q C 2.070 178.252 176.000 0.304 0.000 0.978 550 Q CA 1.685 57.633 55.803 0.241 0.000 0.844 550 Q CB -0.225 28.693 28.738 0.299 0.000 0.898 550 Q HN 0.211 nan 8.270 nan 0.000 0.426 551 R N -0.532 120.183 120.500 0.358 0.000 2.091 551 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 551 R C 1.940 178.303 176.300 0.106 0.000 1.136 551 R CA 1.534 57.777 56.100 0.238 0.000 0.959 551 R CB -0.542 29.910 30.300 0.253 0.000 0.856 551 R HN 0.302 nan 8.270 nan 0.000 0.437 552 A N 0.363 123.255 122.820 0.120 0.000 2.070 552 A HA -0.032 4.287 4.320 -0.000 0.000 0.220 552 A C 2.089 179.730 177.584 0.094 0.000 1.159 552 A CA 1.560 53.662 52.037 0.108 0.000 0.656 552 A CB -0.404 18.667 19.000 0.118 0.000 0.800 552 A HN 0.557 nan 8.150 nan 0.000 0.453 553 A N -1.168 121.708 122.820 0.093 0.000 2.308 553 A HA 0.508 4.828 4.320 -0.000 0.000 0.217 553 A C 0.588 178.207 177.584 0.058 0.000 1.216 553 A CA -0.173 51.910 52.037 0.077 0.000 0.864 553 A CB -0.109 18.942 19.000 0.086 0.000 0.902 553 A HN 0.350 nan 8.150 nan 0.000 0.499 554 L N 0.264 121.509 121.223 0.035 0.000 2.272 554 L HA 0.332 4.672 4.340 -0.000 0.000 0.284 554 L C 1.610 178.441 176.870 -0.066 0.000 1.045 554 L CA -0.500 54.329 54.840 -0.018 0.000 0.842 554 L CB 1.304 43.311 42.059 -0.085 0.000 1.224 554 L HN 0.326 nan 8.230 nan 0.000 0.430 555 G N 1.916 110.696 108.800 -0.034 0.000 2.448 555 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 555 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 555 G C 1.545 176.397 174.900 -0.079 0.000 1.127 555 G CA 0.894 45.970 45.100 -0.041 0.000 0.766 555 G HN 0.732 nan 8.290 nan 0.000 0.552 556 A N 0.030 122.795 122.820 -0.092 0.000 2.125 556 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 556 A C 2.078 179.532 177.584 -0.217 0.000 1.156 556 A CA 0.975 52.944 52.037 -0.113 0.000 0.671 556 A CB -0.179 18.788 19.000 -0.054 0.000 0.794 556 A HN 0.311 nan 8.150 nan 0.000 0.459 557 L N -0.798 120.249 121.223 -0.293 0.000 2.558 557 L HA 0.279 4.619 4.340 -0.000 0.000 0.225 557 L C 1.529 178.274 176.870 -0.208 0.000 1.128 557 L CA 0.465 55.100 54.840 -0.341 0.000 0.868 557 L CB -0.823 40.972 42.059 -0.439 0.000 1.006 557 L HN 0.333 nan 8.230 nan 0.000 0.454 558 A N -0.460 122.264 122.820 -0.159 0.000 2.507 558 A HA 0.323 4.642 4.320 -0.000 0.000 0.235 558 A C 1.719 179.217 177.584 -0.143 0.000 1.070 558 A CA 0.583 52.535 52.037 -0.143 0.000 0.768 558 A CB 0.162 19.097 19.000 -0.109 0.000 1.011 558 A HN 0.360 nan 8.150 nan 0.000 0.502 559 A N 1.052 123.773 122.820 -0.166 0.000 2.076 559 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 559 A C 1.513 179.002 177.584 -0.157 0.000 1.160 559 A CA 1.850 53.790 52.037 -0.163 0.000 0.653 559 A CB -0.502 18.368 19.000 -0.217 0.000 0.801 559 A HN 0.917 nan 8.150 nan 0.000 0.455 560 D N -0.811 119.501 120.400 -0.146 0.000 2.355 560 D HA -0.042 4.598 4.640 -0.000 0.000 0.218 560 D C 0.218 176.456 176.300 -0.104 0.000 1.004 560 D CA 0.191 54.111 54.000 -0.134 0.000 0.880 560 D CB -0.227 40.505 40.800 -0.115 0.000 0.911 560 D HN 0.317 nan 8.370 nan 0.000 0.528 561 Q N 0.775 120.520 119.800 -0.092 0.000 2.259 561 Q HA 0.510 4.850 4.340 -0.000 0.000 0.249 561 Q C 0.003 175.971 176.000 -0.053 0.000 0.914 561 Q CA -0.542 55.220 55.803 -0.069 0.000 0.904 561 Q CB 1.668 30.361 28.738 -0.075 0.000 1.213 561 Q HN 0.220 nan 8.270 nan 0.000 0.428 562 A N 2.158 124.959 122.820 -0.033 0.000 2.507 562 A HA 0.220 4.540 4.320 -0.000 0.000 0.235 562 A C -0.359 177.233 177.584 0.013 0.000 1.070 562 A CA -0.113 51.919 52.037 -0.009 0.000 0.768 562 A CB 0.090 19.090 19.000 -0.002 0.000 1.011 562 A HN 0.546 nan 8.150 nan 0.000 0.502 563 L N 1.394 122.644 121.223 0.045 0.000 2.376 563 L HA 0.814 5.154 4.340 -0.000 0.000 0.275 563 L C -0.093 176.828 176.870 0.085 0.000 0.987 563 L CA 0.423 55.309 54.840 0.077 0.000 0.828 563 L CB 1.236 43.375 42.059 0.134 0.000 1.249 563 L HN 1.222 nan 8.230 nan 0.000 0.409 564 A N 3.023 125.890 122.820 0.079 0.000 2.567 564 A HA 0.910 5.230 4.320 -0.000 0.000 0.289 564 A C -1.291 176.353 177.584 0.100 0.000 1.177 564 A CA -0.274 51.812 52.037 0.080 0.000 0.694 564 A CB 1.677 20.712 19.000 0.058 0.000 1.292 564 A HN 0.783 nan 8.150 nan 0.000 0.425 565 S N -0.129 115.652 115.700 0.134 0.000 2.677 565 S HA 0.579 5.049 4.470 -0.000 0.000 0.283 565 S C -1.099 173.656 174.600 0.259 0.000 1.159 565 S CA -0.479 57.852 58.200 0.219 0.000 1.001 565 S CB 0.299 63.749 63.200 0.417 0.000 1.032 565 S HN 0.594 nan 8.310 nan 0.000 0.487 566 I N 4.038 124.685 120.570 0.129 0.000 2.471 566 I HA 0.335 4.504 4.170 -0.000 0.000 0.286 566 I C 0.921 176.996 176.117 -0.070 0.000 1.079 566 I CA -0.423 60.909 61.300 0.053 0.000 1.398 566 I CB 1.110 39.106 38.000 -0.007 0.000 1.403 566 I HN 0.777 nan 8.210 nan 0.000 0.530 567 A N 7.767 130.506 122.820 -0.136 0.000 2.451 567 A HA 0.482 4.802 4.320 -0.000 0.000 0.266 567 A C -0.510 176.937 177.584 -0.229 0.000 1.119 567 A CA -0.154 51.626 52.037 -0.428 0.000 0.786 567 A CB -0.042 18.857 19.000 -0.168 0.000 1.061 567 A HN 0.497 nan 8.150 nan 0.000 0.503 568 L N 1.935 123.014 121.223 -0.240 0.000 2.322 568 L HA 0.384 4.724 4.340 -0.000 0.000 0.269 568 L C 1.169 177.991 176.870 -0.080 0.000 1.012 568 L CA -0.218 54.557 54.840 -0.109 0.000 0.815 568 L CB 1.467 43.488 42.059 -0.063 0.000 1.295 568 L HN 0.822 nan 8.230 nan 0.000 0.438 569 N N -1.199 117.475 118.700 -0.044 0.000 2.398 569 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 569 N C -0.416 175.085 175.510 -0.016 0.000 1.122 569 N CA 0.042 53.076 53.050 -0.027 0.000 0.866 569 N CB -0.041 38.435 38.487 -0.019 0.000 0.970 569 N HN 0.449 nan 8.380 nan 0.000 0.462 570 D N 0.136 120.529 120.400 -0.013 0.000 2.461 570 D HA 0.313 4.953 4.640 -0.000 0.000 0.240 570 D C -1.982 174.325 176.300 0.011 0.000 1.094 570 D CA -2.323 51.677 54.000 -0.000 0.000 0.868 570 D CB 1.785 42.587 40.800 0.004 0.000 1.062 570 D HN -0.118 nan 8.370 nan 0.000 0.530 571 P HA -0.053 nan 4.420 nan 0.000 0.222 571 P C 0.919 178.232 177.300 0.022 0.000 1.142 571 P CA 0.836 63.942 63.100 0.010 0.000 0.788 571 P CB 0.305 32.005 31.700 0.001 0.000 0.767 572 R N -1.363 119.159 120.500 0.037 0.000 2.240 572 R HA 0.091 4.431 4.340 -0.000 0.000 0.203 572 R C 0.420 176.806 176.300 0.143 0.000 1.011 572 R CA 0.325 56.465 56.100 0.068 0.000 1.007 572 R CB -0.045 30.277 30.300 0.037 0.000 0.911 572 R HN 0.105 nan 8.270 nan 0.000 0.468 573 V N 0.856 120.849 119.914 0.133 0.000 2.713 573 V HA 0.329 4.449 4.120 -0.000 0.000 0.307 573 V C -0.777 175.489 176.094 0.287 0.000 1.052 573 V CA -0.813 61.608 62.300 0.203 0.000 0.967 573 V CB 1.759 33.651 31.823 0.115 0.000 1.019 573 V HN -0.043 nan 8.190 nan 0.000 0.459 574 F N 2.793 122.858 119.950 0.192 0.000 2.562 574 F HA 0.803 5.330 4.527 -0.000 0.000 0.319 574 F C -0.212 175.755 175.800 0.277 0.000 1.154 574 F CA -1.214 56.889 58.000 0.173 0.000 0.931 574 F CB 1.257 40.314 39.000 0.095 0.000 1.198 574 F HN 0.581 nan 8.300 nan 0.000 0.444 575 A N 7.628 130.328 122.820 -0.200 0.000 2.273 575 A HA 0.673 4.993 4.320 -0.000 0.000 0.315 575 A C -1.827 175.463 177.584 -0.490 0.000 1.256 575 A CA -0.656 51.207 52.037 -0.290 0.000 0.851 575 A CB 0.834 19.768 19.000 -0.109 0.000 1.172 575 A HN 0.946 nan 8.150 nan 0.000 0.508 576 L N 3.762 124.685 121.223 -0.501 0.000 2.313 576 L HA 0.726 5.066 4.340 -0.000 0.000 0.283 576 L C 0.189 177.018 176.870 -0.069 0.000 1.013 576 L CA -0.222 54.441 54.840 -0.295 0.000 0.816 576 L CB 1.835 43.747 42.059 -0.245 0.000 1.236 576 L HN 0.798 nan 8.230 nan 0.000 0.419 577 T N 1.701 116.259 114.554 0.007 0.000 2.888 577 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 577 T C -0.407 174.365 174.700 0.119 0.000 1.017 577 T CA -0.956 61.182 62.100 0.063 0.000 1.022 577 T CB 1.789 70.671 68.868 0.024 0.000 1.013 577 T HN 0.486 nan 8.240 nan 0.000 0.465 578 R N 1.252 121.869 120.500 0.195 0.000 2.532 578 R HA 0.698 5.038 4.340 -0.000 0.000 0.297 578 R C 0.958 177.290 176.300 0.055 0.000 0.984 578 R CA 0.111 56.251 56.100 0.066 0.000 0.884 578 R CB 0.968 31.197 30.300 -0.118 0.000 1.182 578 R HN 1.326 nan 8.270 nan 0.000 0.442 579 G N 2.932 111.738 108.800 0.011 0.000 2.578 579 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.275 579 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.275 579 G C -0.162 174.754 174.900 0.027 0.000 1.271 579 G CA 0.705 45.810 45.100 0.007 0.000 0.941 579 G HN 0.713 nan 8.290 nan 0.000 0.564 580 D N -1.591 118.824 120.400 0.024 0.000 2.501 580 D HA 0.387 5.027 4.640 -0.000 0.000 0.224 580 D C 1.350 177.668 176.300 0.030 0.000 1.202 580 D CA 0.999 55.013 54.000 0.022 0.000 0.829 580 D CB 0.264 41.070 40.800 0.011 0.000 1.023 580 D HN 1.007 nan 8.370 nan 0.000 0.499 581 S N -1.355 114.377 115.700 0.054 0.000 2.787 581 S HA 0.289 4.759 4.470 -0.000 0.000 0.255 581 S C -0.260 174.404 174.600 0.107 0.000 1.051 581 S CA -0.844 57.392 58.200 0.061 0.000 1.124 581 S CB -0.294 62.938 63.200 0.055 0.000 1.104 581 S HN 0.174 nan 8.310 nan 0.000 0.623 582 F N 2.411 122.325 119.950 -0.060 0.000 2.540 582 F HA 0.779 5.306 4.527 0.000 0.000 0.317 582 F C -1.685 174.045 175.800 -0.116 0.000 1.104 582 F CA -1.241 56.701 58.000 -0.096 0.000 0.913 582 F CB 1.373 40.281 39.000 -0.153 0.000 1.170 582 F HN 0.010 nan 8.300 nan 0.000 0.450 583 I N 5.101 125.121 120.570 -0.917 0.000 2.569 583 I HA 0.572 4.742 4.170 -0.000 0.000 0.290 583 I C -0.873 174.692 176.117 -0.920 0.000 1.088 583 I CA -0.941 59.970 61.300 -0.649 0.000 1.047 583 I CB 1.232 39.039 38.000 -0.322 0.000 1.237 583 I HN 0.760 nan 8.210 nan 0.000 0.421 584 A N 7.400 129.877 122.820 -0.572 0.000 2.330 584 A HA 0.848 5.168 4.320 -0.000 0.000 0.313 584 A C -0.908 176.482 177.584 -0.323 0.000 1.124 584 A CA -0.489 51.322 52.037 -0.376 0.000 0.774 584 A CB 1.123 20.042 19.000 -0.136 0.000 1.198 584 A HN 0.671 nan 8.150 nan 0.000 0.465 585 L N 3.908 124.937 121.223 -0.324 0.000 2.307 585 L HA 0.511 4.850 4.340 -0.000 0.000 0.284 585 L C -0.444 176.230 176.870 -0.327 0.000 1.023 585 L CA -0.542 54.156 54.840 -0.235 0.000 0.810 585 L CB 1.379 43.364 42.059 -0.124 0.000 1.231 585 L HN 0.719 nan 8.230 nan 0.000 0.423 586 H N 2.454 121.590 119.070 0.110 0.000 2.600 586 H HA 0.240 4.796 4.556 -0.000 0.000 0.357 586 H C -1.139 174.319 175.328 0.218 0.000 1.106 586 H CA -0.643 55.530 56.048 0.207 0.000 1.193 586 H CB 2.566 32.619 29.762 0.485 0.000 1.594 586 H HN 0.569 nan 8.280 nan 0.000 0.526 587 N N 2.735 121.540 118.700 0.176 0.000 2.511 587 N HA 0.124 4.864 4.740 -0.000 0.000 0.249 587 N C -0.539 174.963 175.510 -0.012 0.000 0.971 587 N CA -0.403 52.702 53.050 0.092 0.000 0.938 587 N CB 0.604 39.075 38.487 -0.026 0.000 1.131 587 N HN 0.327 nan 8.380 nan 0.000 0.505 588 F N 1.748 121.728 119.950 0.050 0.000 2.692 588 F HA 0.133 4.659 4.527 -0.000 0.000 0.303 588 F C 1.191 176.947 175.800 -0.074 0.000 1.114 588 F CA -0.258 57.779 58.000 0.062 0.000 1.361 588 F CB 0.010 39.051 39.000 0.068 0.000 1.063 588 F HN 0.328 nan 8.300 nan 0.000 0.550 589 S N -1.291 114.314 115.700 -0.159 0.000 2.747 589 S HA 0.225 4.695 4.470 -0.000 0.000 0.300 589 S C 0.618 174.830 174.600 -0.645 0.000 1.121 589 S CA -0.545 57.504 58.200 -0.252 0.000 0.995 589 S CB 1.381 64.515 63.200 -0.110 0.000 1.113 589 S HN 0.271 nan 8.310 nan 0.000 0.547 590 D N -0.189 119.967 120.400 -0.407 0.000 2.319 590 D HA 0.021 4.661 4.640 -0.000 0.000 0.230 590 D C 0.242 176.426 176.300 -0.194 0.000 1.094 590 D CA -0.141 53.644 54.000 -0.358 0.000 0.856 590 D CB -0.121 40.660 40.800 -0.031 0.000 0.915 590 D HN 0.708 nan 8.370 nan 0.000 0.517 591 Q N 0.028 119.718 119.800 -0.183 0.000 2.387 591 Q HA 0.417 4.757 4.340 -0.000 0.000 0.273 591 Q C -0.760 175.182 176.000 -0.096 0.000 1.089 591 Q CA -1.209 54.532 55.803 -0.103 0.000 0.824 591 Q CB 2.312 31.013 28.738 -0.063 0.000 1.367 591 Q HN 0.086 nan 8.270 nan 0.000 0.443 592 L N 2.713 123.898 121.223 -0.064 0.000 2.416 592 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 592 L C -1.062 175.782 176.870 -0.044 0.000 1.161 592 L CA -0.101 54.708 54.840 -0.053 0.000 0.845 592 L CB 0.464 42.500 42.059 -0.038 0.000 1.119 592 L HN 0.739 nan 8.230 nan 0.000 0.464 593 L N 1.662 122.860 121.223 -0.041 0.000 2.828 593 L HA 0.801 5.141 4.340 -0.000 0.000 0.264 593 L C -1.658 175.194 176.870 -0.029 0.000 1.106 593 L CA -0.845 53.977 54.840 -0.031 0.000 0.955 593 L CB 1.326 43.368 42.059 -0.027 0.000 1.558 593 L HN 0.620 nan 8.230 nan 0.000 0.386 594 D N -0.879 119.506 120.400 -0.024 0.000 2.579 594 D HA 0.674 5.314 4.640 -0.000 0.000 0.257 594 D C -1.415 174.872 176.300 -0.022 0.000 1.176 594 D CA -0.544 53.440 54.000 -0.026 0.000 0.914 594 D CB 2.182 42.965 40.800 -0.028 0.000 1.431 594 D HN 0.505 nan 8.370 nan 0.000 0.454 595 V N 0.329 120.227 119.914 -0.026 0.000 2.531 595 V HA 0.326 4.446 4.120 -0.000 0.000 0.301 595 V C 0.035 176.112 176.094 -0.029 0.000 1.034 595 V CA -0.898 61.387 62.300 -0.025 0.000 0.865 595 V CB 1.353 33.159 31.823 -0.027 0.000 0.995 595 V HN 0.654 nan 8.190 nan 0.000 0.424 596 E N 2.924 123.109 120.200 -0.025 0.000 2.344 596 E HA 0.239 4.589 4.350 -0.000 0.000 0.270 596 E C 0.742 177.325 176.600 -0.028 0.000 1.021 596 E CA -0.321 56.064 56.400 -0.025 0.000 0.887 596 E CB 1.027 30.715 29.700 -0.020 0.000 0.997 596 E HN 0.627 nan 8.360 nan 0.000 0.429 597 L N 3.654 124.861 121.223 -0.028 0.000 2.042 597 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 597 L C 2.152 179.008 176.870 -0.024 0.000 1.076 597 L CA 1.373 56.196 54.840 -0.028 0.000 0.749 597 L CB -0.449 41.595 42.059 -0.025 0.000 0.893 597 L HN 0.644 nan 8.230 nan 0.000 0.432 598 A N -0.367 122.442 122.820 -0.019 0.000 2.239 598 A HA 0.139 4.459 4.320 -0.000 0.000 0.209 598 A C 2.263 179.836 177.584 -0.017 0.000 1.171 598 A CA 1.160 53.187 52.037 -0.016 0.000 0.768 598 A CB -0.425 18.567 19.000 -0.013 0.000 0.790 598 A HN 0.396 nan 8.150 nan 0.000 0.478 599 A N -0.123 122.684 122.820 -0.021 0.000 2.195 599 A HA 0.337 4.657 4.320 -0.000 0.000 0.210 599 A C 1.471 179.038 177.584 -0.027 0.000 1.165 599 A CA 0.926 52.949 52.037 -0.023 0.000 0.806 599 A CB -0.323 18.662 19.000 -0.025 0.000 0.847 599 A HN 0.900 nan 8.150 nan 0.000 0.482 600 I N -5.467 115.085 120.570 -0.029 0.000 3.966 600 I HA 0.456 4.626 4.170 -0.000 0.000 0.324 600 I C 0.914 177.014 176.117 -0.029 0.000 1.517 600 I CA 0.038 61.317 61.300 -0.034 0.000 1.117 600 I CB -0.071 37.900 38.000 -0.049 0.000 1.190 600 I HN 0.157 nan 8.210 nan 0.000 0.466 601 G N 2.951 111.738 108.800 -0.021 0.000 2.421 601 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.300 601 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.300 601 G C 0.110 175.000 174.900 -0.016 0.000 0.974 601 G CA 0.764 45.855 45.100 -0.015 0.000 1.062 601 G HN 0.810 nan 8.290 nan 0.000 0.514 602 V N -3.547 116.355 119.914 -0.020 0.000 3.184 602 V HA 1.039 5.159 4.120 -0.000 0.000 0.308 602 V C 0.105 176.193 176.094 -0.010 0.000 1.243 602 V CA 0.083 62.372 62.300 -0.018 0.000 1.058 602 V CB 2.336 34.138 31.823 -0.034 0.000 1.183 602 V HN 1.183 nan 8.190 nan 0.000 0.471 603 D N -2.479 117.919 120.400 -0.002 0.000 4.348 603 D HA 0.246 4.886 4.640 -0.000 0.000 0.107 603 D C -0.105 176.217 176.300 0.036 0.000 0.596 603 D CA 0.361 54.365 54.000 0.007 0.000 0.971 603 D CB -1.291 39.514 40.800 0.009 0.000 1.495 603 D HN 1.070 nan 8.370 nan 0.000 0.449 604 G N -0.668 108.159 108.800 0.045 0.000 3.019 604 G HA2 0.524 4.484 3.960 -0.000 0.000 0.152 604 G HA3 0.524 4.484 3.960 -0.000 0.000 0.152 604 G C -1.143 173.865 174.900 0.179 0.000 1.320 604 G CA -0.932 44.237 45.100 0.114 0.000 1.013 604 G HN 0.070 nan 8.290 nan 0.000 0.593 605 W N 0.992 122.284 121.300 -0.013 0.000 2.551 605 W HA 0.542 5.202 4.660 -0.000 0.000 0.330 605 W C 0.467 176.984 176.519 -0.003 0.000 1.063 605 W CA -0.384 56.960 57.345 -0.002 0.000 1.222 605 W CB 1.549 31.017 29.460 0.014 0.000 1.349 605 W HN 0.548 nan 8.180 nan 0.000 0.536 606 T N 2.659 117.182 114.554 -0.052 0.000 2.845 606 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 606 T C -0.212 174.549 174.700 0.101 0.000 0.980 606 T CA -0.596 61.492 62.100 -0.020 0.000 1.071 606 T CB 0.703 69.492 68.868 -0.133 0.000 0.941 606 T HN 0.338 nan 8.240 nan 0.000 0.487 625 I N 1.692 122.235 120.570 -0.045 0.000 2.418 625 I HA 0.466 4.636 4.170 -0.000 0.000 0.287 625 I C -0.633 175.456 176.117 -0.047 0.000 1.008 625 I CA -1.175 60.093 61.300 -0.052 0.000 1.104 625 I CB 1.982 39.946 38.000 -0.060 0.000 1.264 625 I HN 0.542 nan 8.210 nan 0.000 0.438 626 V N 7.305 127.191 119.914 -0.048 0.000 2.530 626 V HA 0.274 4.394 4.120 -0.000 0.000 0.282 626 V C 0.125 176.191 176.094 -0.047 0.000 1.048 626 V CA -0.227 62.047 62.300 -0.043 0.000 0.997 626 V CB 1.150 32.948 31.823 -0.042 0.000 0.987 626 V HN 0.457 nan 8.190 nan 0.000 0.477 627 L N 7.355 128.552 121.223 -0.043 0.000 2.342 627 L HA 0.457 4.796 4.340 -0.000 0.000 0.276 627 L C -2.470 174.370 176.870 -0.051 0.000 0.997 627 L CA -1.724 53.088 54.840 -0.046 0.000 0.838 627 L CB 2.017 44.054 42.059 -0.036 0.000 1.224 627 L HN 0.437 nan 8.230 nan 0.000 0.416 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