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 3n2o_1_C DATA FIRST_RESID 12 DATA SEQUENCE DRVRADYNVH YWSQGFYGID DQGEMYVSPR SDNAHQIQLS KIVKQLEERQ DATA SEQUENCE LNVPVLVRFP QILHQRVHSI CDAFNQAIEE YQYPNKYLLV YPIKVNQQRE DATA SEQUENCE VVDEILASQA QLETKQLGLE AGSKPELLAV LAMAQHASSV IVCNGYKDRE DATA SEQUENCE YIRLALIGEK LGHKVFIVLE KMSELDLVLR EAKSLGVTPR LGIRIRLASQ DATA SEQUENCE GAGKWQASGG EKSKFGLSAS QVLNVISRLK KENQLDTLQL VHFHLGSQMA DATA SEQUENCE NIRDVRNGVN ESARFYCELR TLGANITYFD VGGGLAIDYD GTRSQSSNSM DATA SEQUENCE NYGLVEYARN IVNTVGDVCK DYKQPMPVII SESGRSLTAH HAVLISNVIG DATA SEQUENCE TETYKPETVT EPEEDFPLLL NNMWRSWLNL HNGTDARALI EIYNDTQSDL DATA SEQUENCE AEVHSQFATG VLTLEHRAWA EQTSLRIYYE LNRLMSTKNR FHRPILDELS DATA SEQUENCE ERLADKFFVN FSLFQSLPDS WGIDQVFPVL PLSGLQNAAD RRAVMLDITC DATA SEQUENCE DSDGAIDAYV DGQGIESTLP VPAWNEDEPY LMGFFLVGAY QEILGDMHNL DATA SEQUENCE FGDTHSVVVN VGDQGEINID FINEGDTVED MMRYVHIDVD QIRKNYHSLV DATA SEQUENCE SQRVDQEEQQ QILAELEQGL SGYTYLED 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.295 176.300 -0.009 0.000 2.045 12 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 12 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 13 R N 1.349 121.843 120.500 -0.009 0.000 2.200 13 R HA 0.149 4.490 4.340 0.001 0.000 0.208 13 R C 2.177 178.459 176.300 -0.030 0.000 1.033 13 R CA 0.562 56.652 56.100 -0.018 0.000 1.000 13 R CB -0.161 30.129 30.300 -0.017 0.000 0.906 13 R HN 0.087 nan 8.270 nan 0.000 0.462 14 V N 0.524 120.430 119.914 -0.013 0.000 2.244 14 V HA -0.229 3.892 4.120 0.001 0.000 0.244 14 V C 2.112 178.214 176.094 0.013 0.000 1.042 14 V CA 1.770 64.065 62.300 -0.009 0.000 1.006 14 V CB -0.372 31.479 31.823 0.047 0.000 0.641 14 V HN 0.252 nan 8.190 nan 0.000 0.446 15 R N 0.245 120.776 120.500 0.052 0.000 2.117 15 R HA -0.188 4.153 4.340 0.001 0.000 0.243 15 R C 2.368 178.682 176.300 0.024 0.000 1.143 15 R CA 1.540 57.680 56.100 0.066 0.000 0.968 15 R CB -0.654 29.662 30.300 0.026 0.000 0.863 15 R HN 0.560 nan 8.270 nan 0.000 0.444 16 A N 1.366 124.182 122.820 -0.006 0.000 1.933 16 A HA -0.179 4.141 4.320 0.001 0.000 0.218 16 A C 1.497 179.051 177.584 -0.050 0.000 1.175 16 A CA 1.646 53.672 52.037 -0.019 0.000 0.628 16 A CB -0.296 18.701 19.000 -0.006 0.000 0.814 16 A HN 0.156 nan 8.150 nan 0.000 0.444 17 D N -1.543 118.796 120.400 -0.102 0.000 2.182 17 D HA -0.143 4.498 4.640 0.001 0.000 0.201 17 D C 1.233 177.402 176.300 -0.218 0.000 0.986 17 D CA 1.470 55.346 54.000 -0.208 0.000 0.847 17 D CB -0.197 40.396 40.800 -0.345 0.000 0.942 17 D HN 0.653 nan 8.370 nan 0.000 0.467 18 Y N -0.216 120.071 120.300 -0.021 0.000 2.535 18 Y HA 0.168 4.719 4.550 0.001 0.000 0.266 18 Y C 0.470 176.336 175.900 -0.056 0.000 1.088 18 Y CA -0.368 57.732 58.100 0.000 0.000 1.285 18 Y CB 0.007 38.476 38.460 0.015 0.000 1.166 18 Y HN -0.207 nan 8.280 nan 0.000 0.525 19 N N 0.664 119.331 118.700 -0.055 0.000 2.669 19 N HA -0.179 4.562 4.740 0.001 0.000 0.266 19 N C 1.049 176.200 175.510 -0.599 0.000 1.024 19 N CA 0.704 53.435 53.050 -0.533 0.000 0.766 19 N CB -0.943 36.937 38.487 -1.012 0.000 0.898 19 N HN 0.150 nan 8.380 nan 0.000 0.548 20 V N 0.764 120.419 119.914 -0.430 0.000 2.392 20 V HA -0.265 3.856 4.120 0.001 0.000 0.249 20 V C 2.352 177.805 176.094 -1.069 0.000 1.059 20 V CA 2.270 64.073 62.300 -0.830 0.000 1.051 20 V CB -0.489 30.951 31.823 -0.639 0.000 0.658 20 V HN 0.724 nan 8.190 nan 0.000 0.455 21 H N -1.914 116.768 119.070 -0.647 0.000 2.545 21 H HA -0.141 4.415 4.556 0.001 0.000 0.282 21 H C 1.993 177.176 175.328 -0.241 0.000 1.020 21 H CA 1.288 57.065 56.048 -0.452 0.000 1.243 21 H CB -0.618 28.968 29.762 -0.294 0.000 1.377 21 H HN 0.462 nan 8.280 nan 0.000 0.581 22 Y N 0.854 120.745 120.300 -0.681 0.000 2.373 22 Y HA -0.128 4.423 4.550 0.001 0.000 0.293 22 Y C 2.309 178.148 175.900 -0.102 0.000 1.129 22 Y CA 0.471 58.375 58.100 -0.328 0.000 1.226 22 Y CB -0.478 37.852 38.460 -0.216 0.000 1.000 22 Y HN 0.546 nan 8.280 nan 0.000 0.549 23 W N -1.818 119.527 121.300 0.075 0.000 2.865 23 W HA 0.259 4.920 4.660 0.001 0.000 0.300 23 W C 1.542 178.185 176.519 0.205 0.000 1.096 23 W CA 0.790 58.191 57.345 0.093 0.000 1.524 23 W CB -0.989 28.493 29.460 0.037 0.000 0.991 23 W HN 0.092 nan 8.180 nan 0.000 0.571 24 S N 0.920 116.452 115.700 -0.280 0.000 2.489 24 S HA -0.116 4.355 4.470 0.001 0.000 0.228 24 S C 1.067 175.707 174.600 0.066 0.000 0.995 24 S CA 0.625 58.772 58.200 -0.088 0.000 0.934 24 S CB -0.587 62.261 63.200 -0.587 0.000 0.771 24 S HN 0.268 nan 8.310 nan 0.000 0.522 25 Q N 0.032 119.776 119.800 -0.093 0.000 2.457 25 Q HA -0.211 4.130 4.340 0.001 0.000 0.283 25 Q C 1.001 176.625 176.000 -0.626 0.000 1.234 25 Q CA 0.726 56.334 55.803 -0.325 0.000 0.877 25 Q CB -2.473 26.012 28.738 -0.423 0.000 1.250 25 Q HN 1.250 nan 8.270 nan 0.000 0.481 26 G N -1.104 107.447 108.800 -0.415 0.000 2.196 26 G HA2 -0.358 3.603 3.960 0.001 0.000 0.268 26 G HA3 -0.358 3.603 3.960 0.001 0.000 0.268 26 G C 0.334 174.963 174.900 -0.453 0.000 0.975 26 G CA 0.702 45.562 45.100 -0.399 0.000 0.648 26 G HN 0.414 nan 8.290 nan 0.000 0.538 27 F N -0.826 118.990 119.950 -0.224 0.000 2.558 27 F HA 0.385 4.913 4.527 0.001 0.000 0.298 27 F C 1.062 176.372 175.800 -0.817 0.000 1.119 27 F CA 0.214 57.933 58.000 -0.468 0.000 1.451 27 F CB -0.074 38.623 39.000 -0.505 0.000 1.091 27 F HN 0.257 nan 8.300 nan 0.000 0.563 28 Y N -1.269 118.952 120.300 -0.131 0.000 2.571 28 Y HA 0.666 5.217 4.550 0.001 0.000 0.341 28 Y C 0.332 175.794 175.900 -0.730 0.000 1.076 28 Y CA -1.654 56.206 58.100 -0.400 0.000 1.029 28 Y CB 1.760 40.045 38.460 -0.291 0.000 1.308 28 Y HN -0.165 nan 8.280 nan 0.000 0.461 29 G N 0.792 108.963 108.800 -1.048 0.000 2.559 29 G HA2 0.602 4.563 3.960 0.001 0.000 0.291 29 G HA3 0.602 4.563 3.960 0.001 0.000 0.291 29 G C -2.169 172.276 174.900 -0.759 0.000 1.424 29 G CA -0.892 43.652 45.100 -0.927 0.000 0.786 29 G HN 0.508 nan 8.290 nan 0.000 0.485 30 I N 1.911 122.346 120.570 -0.225 0.000 2.339 30 I HA 0.268 4.439 4.170 0.001 0.000 0.290 30 I C -0.251 175.994 176.117 0.212 0.000 0.994 30 I CA -0.781 60.515 61.300 -0.007 0.000 1.191 30 I CB 1.635 39.635 38.000 -0.002 0.000 1.343 30 I HN 0.678 nan 8.210 nan 0.000 0.458 31 D N 3.966 124.549 120.400 0.306 0.000 2.433 31 D HA 0.054 4.695 4.640 0.001 0.000 0.255 31 D C 0.423 176.780 176.300 0.095 0.000 1.226 31 D CA -0.366 53.762 54.000 0.214 0.000 1.015 31 D CB 0.728 41.618 40.800 0.150 0.000 1.091 31 D HN 0.324 nan 8.370 nan 0.000 0.527 32 D N -1.273 119.152 120.400 0.041 0.000 2.312 32 D HA -0.123 4.518 4.640 0.001 0.000 0.211 32 D C 1.423 177.738 176.300 0.025 0.000 0.964 32 D CA 0.705 54.718 54.000 0.023 0.000 0.877 32 D CB -0.114 40.686 40.800 0.000 0.000 0.924 32 D HN 0.538 nan 8.370 nan 0.000 0.515 33 Q N -0.202 119.617 119.800 0.032 0.000 2.472 33 Q HA 0.054 4.395 4.340 0.001 0.000 0.208 33 Q C 0.740 176.764 176.000 0.040 0.000 0.958 33 Q CA 0.600 56.421 55.803 0.031 0.000 0.932 33 Q CB 0.149 28.904 28.738 0.030 0.000 1.007 33 Q HN 0.261 nan 8.270 nan 0.000 0.508 34 G N 1.122 109.954 108.800 0.054 0.000 2.198 34 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 34 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 34 G C -0.576 174.356 174.900 0.055 0.000 1.042 34 G CA 0.250 45.385 45.100 0.058 0.000 0.791 34 G HN 0.316 nan 8.290 nan 0.000 0.502 35 E N -0.130 120.115 120.200 0.076 0.000 2.212 35 E HA 0.457 4.808 4.350 0.001 0.000 0.268 35 E C 0.574 177.238 176.600 0.108 0.000 0.902 35 E CA -0.931 55.517 56.400 0.081 0.000 0.779 35 E CB 1.082 30.838 29.700 0.093 0.000 1.172 35 E HN 0.189 nan 8.360 nan 0.000 0.409 36 M N 2.749 122.394 119.600 0.075 0.000 2.200 36 M HA 0.150 4.631 4.480 0.001 0.000 0.355 36 M C -0.414 175.968 176.300 0.136 0.000 1.283 36 M CA -0.111 55.215 55.300 0.044 0.000 1.124 36 M CB -0.408 32.243 32.600 0.085 0.000 1.625 36 M HN 0.440 nan 8.290 nan 0.000 0.463 37 Y N 1.451 121.812 120.300 0.102 0.000 2.587 37 Y HA 0.808 5.359 4.550 0.001 0.000 0.337 37 Y C -0.955 175.023 175.900 0.129 0.000 1.065 37 Y CA -1.520 56.635 58.100 0.093 0.000 1.126 37 Y CB 0.873 39.352 38.460 0.031 0.000 1.279 37 Y HN 0.373 nan 8.280 nan 0.000 0.489 38 V N 1.702 121.745 119.914 0.215 0.000 2.581 38 V HA 0.666 4.787 4.120 0.001 0.000 0.303 38 V C -0.873 175.238 176.094 0.028 0.000 1.041 38 V CA -0.302 61.952 62.300 -0.077 0.000 0.907 38 V CB 1.743 33.290 31.823 -0.459 0.000 0.994 38 V HN 0.955 nan 8.190 nan 0.000 0.442 39 S N 7.174 122.835 115.700 -0.064 0.000 2.539 39 S HA 0.596 5.066 4.470 0.001 0.000 0.235 39 S C -2.184 172.418 174.600 0.003 0.000 1.326 39 S CA -0.933 57.284 58.200 0.028 0.000 1.183 39 S CB 1.638 64.910 63.200 0.120 0.000 1.073 39 S HN 0.786 nan 8.310 nan 0.000 0.480 40 P HA 0.217 nan 4.420 nan 0.000 0.259 40 P C -0.025 177.338 177.300 0.105 0.000 1.233 40 P CA -0.159 62.941 63.100 -0.000 0.000 0.827 40 P CB 0.228 31.879 31.700 -0.082 0.000 1.154 41 R N 0.686 121.248 120.500 0.104 0.000 2.390 41 R HA 0.194 4.535 4.340 0.001 0.000 0.291 41 R C 1.744 178.114 176.300 0.117 0.000 1.070 41 R CA 0.222 56.393 56.100 0.118 0.000 1.014 41 R CB 0.517 30.880 30.300 0.105 0.000 1.007 41 R HN 0.057 nan 8.270 nan 0.000 0.466 42 S N 1.128 116.907 115.700 0.132 0.000 2.419 42 S HA -0.186 4.285 4.470 0.001 0.000 0.235 42 S C 1.253 175.886 174.600 0.055 0.000 1.019 42 S CA 1.547 59.816 58.200 0.115 0.000 0.982 42 S CB -0.148 63.128 63.200 0.127 0.000 0.789 42 S HN 0.793 nan 8.310 nan 0.000 0.490 43 D N 0.599 121.022 120.400 0.039 0.000 2.349 43 D HA 0.035 4.675 4.640 0.001 0.000 0.224 43 D C 0.401 176.683 176.300 -0.031 0.000 1.029 43 D CA 0.211 54.211 54.000 0.000 0.000 0.879 43 D CB -1.426 39.372 40.800 -0.003 0.000 0.906 43 D HN 0.445 nan 8.370 nan 0.000 0.528 44 N N -1.253 117.436 118.700 -0.018 0.000 2.681 44 N HA -0.270 4.470 4.740 0.001 0.000 0.250 44 N C 0.894 176.337 175.510 -0.112 0.000 1.133 44 N CA 0.774 53.795 53.050 -0.050 0.000 0.732 44 N CB -0.917 37.532 38.487 -0.064 0.000 1.107 44 N HN 0.435 nan 8.380 nan 0.000 0.559 45 A N -0.814 121.915 122.820 -0.151 0.000 2.067 45 A HA -0.027 4.294 4.320 0.001 0.000 0.217 45 A C 0.306 177.520 177.584 -0.617 0.000 1.156 45 A CA 1.112 52.919 52.037 -0.383 0.000 0.683 45 A CB 0.127 18.867 19.000 -0.433 0.000 0.808 45 A HN 0.502 nan 8.150 nan 0.000 0.455 46 H N -0.365 118.685 119.070 -0.033 0.000 2.934 46 H HA 0.321 4.878 4.556 0.001 0.000 0.340 46 H C -1.167 174.129 175.328 -0.053 0.000 1.008 46 H CA -0.513 55.510 56.048 -0.042 0.000 1.317 46 H CB 0.753 30.508 29.762 -0.013 0.000 1.670 46 H HN 0.388 nan 8.280 nan 0.000 0.516 47 Q N 2.822 122.615 119.800 -0.011 0.000 2.256 47 Q HA 0.372 4.713 4.340 0.001 0.000 0.254 47 Q C -0.146 175.874 176.000 0.033 0.000 0.916 47 Q CA -0.640 55.122 55.803 -0.067 0.000 0.932 47 Q CB 1.750 30.213 28.738 -0.458 0.000 1.207 47 Q HN 0.372 nan 8.270 nan 0.000 0.426 48 I N 2.735 123.371 120.570 0.109 0.000 2.378 48 I HA 0.167 4.337 4.170 0.001 0.000 0.291 48 I C 0.183 176.410 176.117 0.183 0.000 0.992 48 I CA -0.665 60.709 61.300 0.122 0.000 1.154 48 I CB 1.465 39.538 38.000 0.123 0.000 1.315 48 I HN 0.586 nan 8.210 nan 0.000 0.448 49 Q N 4.925 124.820 119.800 0.160 0.000 2.274 49 Q HA 0.116 4.457 4.340 0.001 0.000 0.280 49 Q C 1.045 177.147 176.000 0.170 0.000 1.047 49 Q CA -0.006 55.901 55.803 0.174 0.000 0.907 49 Q CB 1.176 29.986 28.738 0.121 0.000 1.171 49 Q HN 0.536 nan 8.270 nan 0.000 0.381 50 L N 1.633 122.972 121.223 0.193 0.000 2.131 50 L HA -0.212 4.128 4.340 0.001 0.000 0.210 50 L C 2.362 179.318 176.870 0.143 0.000 1.092 50 L CA 1.353 56.316 54.840 0.204 0.000 0.759 50 L CB -0.497 41.699 42.059 0.228 0.000 0.903 50 L HN 0.706 nan 8.230 nan 0.000 0.435 51 S N -0.640 115.126 115.700 0.108 0.000 2.447 51 S HA -0.160 4.310 4.470 0.001 0.000 0.233 51 S C 1.908 176.552 174.600 0.073 0.000 1.006 51 S CA 0.709 58.955 58.200 0.075 0.000 0.957 51 S CB -0.134 63.096 63.200 0.051 0.000 0.773 51 S HN 0.307 nan 8.310 nan 0.000 0.507 52 K N 1.126 121.577 120.400 0.084 0.000 2.097 52 K HA 0.231 4.551 4.320 0.001 0.000 0.205 52 K C 1.882 178.529 176.600 0.078 0.000 1.050 52 K CA 1.271 57.601 56.287 0.072 0.000 0.938 52 K CB -0.389 32.152 32.500 0.069 0.000 0.718 52 K HN 0.397 nan 8.250 nan 0.000 0.442 53 I N 0.174 120.810 120.570 0.110 0.000 2.163 53 I HA -0.306 3.865 4.170 0.001 0.000 0.243 53 I C 1.930 178.094 176.117 0.077 0.000 1.085 53 I CA 1.059 62.426 61.300 0.112 0.000 1.347 53 I CB -0.263 37.843 38.000 0.176 0.000 1.044 53 I HN -0.060 nan 8.210 nan 0.000 0.408 54 V N 0.918 120.878 119.914 0.077 0.000 2.332 54 V HA -0.343 3.777 4.120 0.001 0.000 0.248 54 V C 2.507 178.628 176.094 0.046 0.000 1.055 54 V CA 2.177 64.513 62.300 0.059 0.000 1.038 54 V CB -0.812 31.048 31.823 0.062 0.000 0.651 54 V HN 0.425 nan 8.190 nan 0.000 0.450 55 K N -0.033 120.394 120.400 0.044 0.000 2.009 55 K HA -0.293 4.027 4.320 0.001 0.000 0.210 55 K C 2.348 178.963 176.600 0.025 0.000 1.049 55 K CA 2.154 58.460 56.287 0.033 0.000 0.929 55 K CB -0.260 32.259 32.500 0.031 0.000 0.714 55 K HN 0.488 nan 8.250 nan 0.000 0.440 56 Q N 0.253 120.069 119.800 0.027 0.000 2.096 56 Q HA -0.155 4.185 4.340 0.001 0.000 0.204 56 Q C 2.142 178.145 176.000 0.005 0.000 0.982 56 Q CA 1.657 57.469 55.803 0.016 0.000 0.850 56 Q CB -0.051 28.699 28.738 0.021 0.000 0.901 56 Q HN 0.379 nan 8.270 nan 0.000 0.422 57 L N 0.319 121.547 121.223 0.008 0.000 2.083 57 L HA -0.193 4.148 4.340 0.001 0.000 0.209 57 L C 2.517 179.377 176.870 -0.016 0.000 1.083 57 L CA 1.123 55.957 54.840 -0.010 0.000 0.752 57 L CB -0.443 41.614 42.059 -0.003 0.000 0.899 57 L HN 0.303 nan 8.230 nan 0.000 0.433 58 E N 0.353 120.555 120.200 0.004 0.000 2.085 58 E HA -0.253 4.098 4.350 0.001 0.000 0.194 58 E C 2.005 178.604 176.600 -0.002 0.000 0.994 58 E CA 1.394 57.799 56.400 0.008 0.000 0.801 58 E CB 0.056 29.770 29.700 0.023 0.000 0.743 58 E HN 0.544 nan 8.360 nan 0.000 0.453 59 E N -0.128 120.071 120.200 -0.002 0.000 2.204 59 E HA -0.132 4.219 4.350 0.001 0.000 0.195 59 E C 1.668 178.258 176.600 -0.016 0.000 0.990 59 E CA 0.477 56.874 56.400 -0.006 0.000 0.821 59 E CB 0.024 29.722 29.700 -0.003 0.000 0.750 59 E HN 0.056 nan 8.360 nan 0.000 0.477 60 R N 0.369 120.853 120.500 -0.026 0.000 2.391 60 R HA 0.034 4.374 4.340 0.001 0.000 0.249 60 R C -0.086 176.179 176.300 -0.059 0.000 0.957 60 R CA 0.093 56.168 56.100 -0.041 0.000 1.093 60 R CB 0.170 30.440 30.300 -0.049 0.000 1.156 60 R HN 0.123 nan 8.270 nan 0.000 0.526 61 Q N -0.384 119.388 119.800 -0.047 0.000 2.494 61 Q HA -0.184 4.156 4.340 0.001 0.000 0.266 61 Q C -0.900 175.036 176.000 -0.105 0.000 1.053 61 Q CA 0.728 56.499 55.803 -0.053 0.000 1.029 61 Q CB -1.281 27.430 28.738 -0.045 0.000 1.423 61 Q HN 0.355 nan 8.270 nan 0.000 0.516 62 L N 1.057 122.202 121.223 -0.130 0.000 2.265 62 L HA 0.415 4.756 4.340 0.001 0.000 0.289 62 L C 0.217 177.041 176.870 -0.076 0.000 1.033 62 L CA -0.722 53.974 54.840 -0.239 0.000 0.814 62 L CB 0.908 42.775 42.059 -0.320 0.000 1.203 62 L HN 0.108 nan 8.230 nan 0.000 0.423 63 N N 1.914 120.618 118.700 0.007 0.000 2.489 63 N HA 0.346 5.087 4.740 0.001 0.000 0.284 63 N C -0.393 175.297 175.510 0.301 0.000 1.158 63 N CA -0.505 52.640 53.050 0.158 0.000 0.965 63 N CB 2.264 40.873 38.487 0.204 0.000 1.195 63 N HN 0.146 nan 8.380 nan 0.000 0.506 64 V N 2.874 122.937 119.914 0.249 0.000 2.924 64 V HA 0.187 4.307 4.120 0.001 0.000 0.305 64 V C -1.746 174.505 176.094 0.262 0.000 1.073 64 V CA -1.249 61.182 62.300 0.218 0.000 1.098 64 V CB 1.169 33.072 31.823 0.134 0.000 1.000 64 V HN 0.638 nan 8.190 nan 0.000 0.484 65 P HA 0.204 nan 4.420 nan 0.000 0.272 65 P C -1.044 176.305 177.300 0.082 0.000 1.223 65 P CA 0.204 63.280 63.100 -0.040 0.000 0.784 65 P CB 1.356 32.841 31.700 -0.358 0.000 0.923 66 V N 3.599 123.539 119.914 0.044 0.000 2.851 66 V HA 0.363 4.484 4.120 0.001 0.000 0.307 66 V C -1.378 174.718 176.094 0.004 0.000 1.129 66 V CA -1.052 61.293 62.300 0.075 0.000 0.932 66 V CB 2.236 34.124 31.823 0.108 0.000 1.024 66 V HN 0.352 nan 8.190 nan 0.000 0.426 67 L N 7.128 128.353 121.223 0.003 0.000 2.264 67 L HA 0.716 5.057 4.340 0.001 0.000 0.289 67 L C -0.672 176.155 176.870 -0.071 0.000 1.044 67 L CA 0.258 55.070 54.840 -0.046 0.000 0.807 67 L CB 1.462 43.499 42.059 -0.036 0.000 1.192 67 L HN 0.529 nan 8.230 nan 0.000 0.425 68 V N 6.130 125.963 119.914 -0.135 0.000 2.417 68 V HA 0.596 4.717 4.120 0.001 0.000 0.291 68 V C -0.016 175.838 176.094 -0.400 0.000 1.024 68 V CA -0.682 61.460 62.300 -0.263 0.000 0.861 68 V CB 1.547 33.206 31.823 -0.272 0.000 0.985 68 V HN 0.714 nan 8.190 nan 0.000 0.436 69 R N 3.850 124.102 120.500 -0.412 0.000 2.711 69 R HA 0.663 5.004 4.340 0.001 0.000 0.284 69 R C -1.665 174.385 176.300 -0.416 0.000 0.968 69 R CA -0.558 55.392 56.100 -0.249 0.000 0.924 69 R CB 2.034 32.374 30.300 0.067 0.000 1.162 69 R HN 0.533 nan 8.270 nan 0.000 0.465 70 F N 2.225 122.282 119.950 0.179 0.000 2.434 70 F HA 0.336 4.863 4.527 0.001 0.000 0.367 70 F C -1.650 174.156 175.800 0.010 0.000 1.093 70 F CA -2.413 55.642 58.000 0.091 0.000 1.085 70 F CB 1.702 40.742 39.000 0.068 0.000 1.322 70 F HN 0.336 nan 8.300 nan 0.000 0.452 71 P HA -0.181 nan 4.420 nan 0.000 0.219 71 P C 1.179 178.181 177.300 -0.497 0.000 1.146 71 P CA 1.434 64.403 63.100 -0.219 0.000 0.808 71 P CB 0.206 31.840 31.700 -0.109 0.000 0.779 72 Q N -1.100 118.614 119.800 -0.143 0.000 2.291 72 Q HA -0.066 4.274 4.340 0.001 0.000 0.205 72 Q C 2.026 177.967 176.000 -0.099 0.000 0.970 72 Q CA 0.877 56.642 55.803 -0.064 0.000 0.876 72 Q CB -0.470 28.349 28.738 0.136 0.000 0.935 72 Q HN 0.319 nan 8.270 nan 0.000 0.455 73 I N 0.049 120.523 120.570 -0.160 0.000 2.286 73 I HA -0.249 3.922 4.170 0.001 0.000 0.245 73 I C 1.932 177.877 176.117 -0.286 0.000 1.104 73 I CA 0.851 61.927 61.300 -0.373 0.000 1.397 73 I CB -0.153 37.562 38.000 -0.476 0.000 1.072 73 I HN 0.222 nan 8.210 nan 0.000 0.417 74 L N 0.119 121.185 121.223 -0.262 0.000 2.012 74 L HA -0.280 4.061 4.340 0.001 0.000 0.210 74 L C 2.603 179.382 176.870 -0.152 0.000 1.073 74 L CA 1.863 56.549 54.840 -0.257 0.000 0.748 74 L CB -1.109 40.723 42.059 -0.378 0.000 0.891 74 L HN 0.329 nan 8.230 nan 0.000 0.431 75 H N -0.783 118.252 119.070 -0.059 0.000 2.319 75 H HA -0.214 4.343 4.556 0.001 0.000 0.297 75 H C 2.399 177.731 175.328 0.005 0.000 1.097 75 H CA 1.470 57.494 56.048 -0.041 0.000 1.285 75 H CB -0.072 29.728 29.762 0.063 0.000 1.368 75 H HN 0.438 nan 8.280 nan 0.000 0.495 76 Q N 0.347 120.263 119.800 0.194 0.000 2.119 76 Q HA -0.099 4.241 4.340 0.001 0.000 0.201 76 Q C 2.295 178.413 176.000 0.197 0.000 0.972 76 Q CA 0.579 56.533 55.803 0.252 0.000 0.847 76 Q CB 0.120 29.050 28.738 0.321 0.000 0.903 76 Q HN 0.361 nan 8.270 nan 0.000 0.433 77 R N 0.338 120.907 120.500 0.115 0.000 2.091 77 R HA -0.108 4.233 4.340 0.001 0.000 0.238 77 R C 2.285 178.636 176.300 0.085 0.000 1.136 77 R CA 0.977 57.145 56.100 0.112 0.000 0.959 77 R CB -1.181 29.162 30.300 0.071 0.000 0.856 77 R HN 0.175 nan 8.270 nan 0.000 0.437 78 V N 1.114 121.026 119.914 -0.004 0.000 2.261 78 V HA -0.242 3.879 4.120 0.001 0.000 0.246 78 V C 2.345 178.420 176.094 -0.032 0.000 1.047 78 V CA 1.845 64.110 62.300 -0.059 0.000 1.015 78 V CB -0.688 31.005 31.823 -0.216 0.000 0.642 78 V HN 0.328 nan 8.190 nan 0.000 0.446 79 H N -0.316 118.838 119.070 0.140 0.000 2.421 79 H HA -0.069 4.487 4.556 0.001 0.000 0.298 79 H C 2.617 178.024 175.328 0.133 0.000 1.087 79 H CA 1.634 57.762 56.048 0.132 0.000 1.330 79 H CB -0.401 29.428 29.762 0.112 0.000 1.388 79 H HN 0.376 nan 8.280 nan 0.000 0.526 80 S N 0.293 116.126 115.700 0.221 0.000 2.382 80 S HA -0.060 4.410 4.470 0.001 0.000 0.228 80 S C 2.385 177.077 174.600 0.153 0.000 1.027 80 S CA 0.739 59.039 58.200 0.166 0.000 0.991 80 S CB -0.085 63.203 63.200 0.147 0.000 0.823 80 S HN 0.264 nan 8.310 nan 0.000 0.469 81 I N 0.617 121.299 120.570 0.187 0.000 2.333 81 I HA -0.162 4.009 4.170 0.001 0.000 0.246 81 I C 2.298 178.583 176.117 0.281 0.000 1.106 81 I CA 0.616 62.056 61.300 0.234 0.000 1.411 81 I CB -0.399 37.776 38.000 0.292 0.000 1.082 81 I HN 0.339 nan 8.210 nan 0.000 0.420 82 C N 0.793 120.278 119.300 0.308 0.000 2.413 82 C HA -0.183 4.278 4.460 0.001 0.000 0.276 82 C C 2.465 177.587 174.990 0.221 0.000 1.236 82 C CA 0.770 59.986 59.018 0.330 0.000 1.735 82 C CB -1.044 26.901 27.740 0.341 0.000 2.031 82 C HN 0.524 nan 8.230 nan 0.000 0.474 83 D N 1.075 121.583 120.400 0.180 0.000 2.133 83 D HA -0.122 4.519 4.640 0.001 0.000 0.195 83 D C 2.297 178.636 176.300 0.065 0.000 0.997 83 D CA 1.870 55.941 54.000 0.118 0.000 0.840 83 D CB -0.627 40.234 40.800 0.102 0.000 0.947 83 D HN 0.525 nan 8.370 nan 0.000 0.452 84 A N 0.259 123.097 122.820 0.030 0.000 1.865 84 A HA -0.174 4.147 4.320 0.001 0.000 0.217 84 A C 2.208 179.691 177.584 -0.167 0.000 1.191 84 A CA 1.163 53.152 52.037 -0.079 0.000 0.623 84 A CB -1.112 17.813 19.000 -0.124 0.000 0.826 84 A HN 0.171 nan 8.150 nan 0.000 0.444 85 F N 0.608 120.434 119.950 -0.206 0.000 2.102 85 F HA -0.189 4.339 4.527 0.001 0.000 0.298 85 F C 2.393 178.100 175.800 -0.154 0.000 1.105 85 F CA 1.585 59.387 58.000 -0.331 0.000 1.239 85 F CB -0.284 38.185 39.000 -0.883 0.000 0.991 85 F HN 0.212 nan 8.300 nan 0.000 0.474 86 N N 0.179 118.958 118.700 0.132 0.000 2.104 86 N HA -0.240 4.501 4.740 0.001 0.000 0.190 86 N C 1.827 177.387 175.510 0.082 0.000 1.024 86 N CA 1.287 54.413 53.050 0.126 0.000 0.853 86 N CB -0.758 37.814 38.487 0.141 0.000 1.008 86 N HN 0.423 nan 8.380 nan 0.000 0.424 87 Q N 0.499 120.327 119.800 0.047 0.000 2.084 87 Q HA -0.060 4.280 4.340 0.001 0.000 0.202 87 Q C 1.862 177.876 176.000 0.023 0.000 0.978 87 Q CA 1.731 57.551 55.803 0.030 0.000 0.844 87 Q CB -0.108 28.634 28.738 0.006 0.000 0.898 87 Q HN 0.363 nan 8.270 nan 0.000 0.426 88 A N 0.695 123.504 122.820 -0.019 0.000 1.933 88 A HA -0.146 4.175 4.320 0.001 0.000 0.218 88 A C 1.991 179.600 177.584 0.042 0.000 1.175 88 A CA 1.253 53.271 52.037 -0.032 0.000 0.628 88 A CB -0.604 18.305 19.000 -0.152 0.000 0.814 88 A HN 0.507 nan 8.150 nan 0.000 0.444 89 I N -0.509 120.100 120.570 0.066 0.000 2.202 89 I HA -0.261 3.909 4.170 0.001 0.000 0.242 89 I C 2.503 178.738 176.117 0.197 0.000 1.091 89 I CA 1.659 63.052 61.300 0.156 0.000 1.368 89 I CB -0.519 37.586 38.000 0.176 0.000 1.058 89 I HN 0.442 nan 8.210 nan 0.000 0.410 90 E N 0.863 121.145 120.200 0.136 0.000 2.031 90 E HA -0.258 4.092 4.350 0.001 0.000 0.193 90 E C 2.072 178.737 176.600 0.108 0.000 0.994 90 E CA 1.389 57.856 56.400 0.112 0.000 0.800 90 E CB -0.146 29.601 29.700 0.079 0.000 0.752 90 E HN 0.476 nan 8.360 nan 0.000 0.447 91 E N -0.294 119.967 120.200 0.101 0.000 2.160 91 E HA -0.210 4.141 4.350 0.001 0.000 0.195 91 E C 1.648 178.323 176.600 0.125 0.000 0.991 91 E CA 0.992 57.446 56.400 0.090 0.000 0.810 91 E CB -0.057 29.687 29.700 0.074 0.000 0.742 91 E HN 0.309 nan 8.360 nan 0.000 0.466 92 Y N 0.342 120.672 120.300 0.051 0.000 2.503 92 Y HA -0.007 4.544 4.550 0.001 0.000 0.278 92 Y C 0.196 176.147 175.900 0.085 0.000 1.111 92 Y CA 0.450 58.591 58.100 0.068 0.000 1.270 92 Y CB 0.741 39.256 38.460 0.092 0.000 1.063 92 Y HN -0.151 nan 8.280 nan 0.000 0.548 93 Q N -0.289 119.629 119.800 0.197 0.000 2.470 93 Q HA -0.320 4.021 4.340 0.001 0.000 0.290 93 Q C -1.082 175.074 176.000 0.260 0.000 1.353 93 Q CA 0.783 56.672 55.803 0.144 0.000 0.787 93 Q CB -2.541 26.205 28.738 0.013 0.000 1.158 93 Q HN 0.686 nan 8.270 nan 0.000 0.426 94 Y N 2.674 123.138 120.300 0.273 0.000 2.465 94 Y HA 0.195 4.745 4.550 0.001 0.000 0.331 94 Y C -1.404 174.574 175.900 0.130 0.000 1.102 94 Y CA -1.414 56.840 58.100 0.257 0.000 1.358 94 Y CB 0.947 39.505 38.460 0.164 0.000 1.213 94 Y HN 0.007 nan 8.280 nan 0.000 0.525 95 P HA 0.154 nan 4.420 nan 0.000 0.227 95 P C -1.107 176.103 177.300 -0.149 0.000 1.801 95 P CA 0.320 63.344 63.100 -0.127 0.000 0.971 95 P CB 0.072 31.689 31.700 -0.139 0.000 1.653 96 N N 0.051 118.733 118.700 -0.030 0.000 3.179 96 N HA 0.277 5.018 4.740 0.001 0.000 0.250 96 N C -0.944 174.736 175.510 0.283 0.000 1.507 96 N CA -0.500 52.601 53.050 0.084 0.000 0.883 96 N CB 1.691 40.170 38.487 -0.014 0.000 1.435 96 N HN -0.186 nan 8.380 nan 0.000 0.532 97 K N -0.023 120.494 120.400 0.194 0.000 2.132 97 K HA 0.384 4.705 4.320 0.001 0.000 0.241 97 K C -1.058 175.654 176.600 0.186 0.000 1.000 97 K CA -0.564 55.830 56.287 0.179 0.000 0.911 97 K CB 1.237 33.802 32.500 0.109 0.000 1.093 97 K HN 0.459 nan 8.250 nan 0.000 0.460 98 Y N 0.752 121.065 120.300 0.022 0.000 2.485 98 Y HA 0.557 5.107 4.550 0.001 0.000 0.345 98 Y C -1.719 174.149 175.900 -0.053 0.000 0.998 98 Y CA -1.368 56.678 58.100 -0.090 0.000 1.059 98 Y CB 1.261 39.628 38.460 -0.155 0.000 1.234 98 Y HN 0.399 nan 8.280 nan 0.000 0.461 99 L N 7.223 127.793 121.223 -1.089 0.000 2.404 99 L HA 0.483 4.823 4.340 0.001 0.000 0.272 99 L C -2.017 174.216 176.870 -1.061 0.000 0.980 99 L CA -0.768 53.608 54.840 -0.773 0.000 0.836 99 L CB 1.363 43.238 42.059 -0.307 0.000 1.238 99 L HN 0.740 nan 8.230 nan 0.000 0.408 100 L N 6.059 126.870 121.223 -0.688 0.000 2.380 100 L HA 0.583 4.923 4.340 0.001 0.000 0.273 100 L C -0.891 175.905 176.870 -0.123 0.000 1.138 100 L CA 0.312 54.991 54.840 -0.269 0.000 0.832 100 L CB 1.272 43.368 42.059 0.062 0.000 1.124 100 L HN 0.440 nan 8.230 nan 0.000 0.454 101 V N 6.154 126.035 119.914 -0.055 0.000 2.443 101 V HA 0.219 4.340 4.120 0.001 0.000 0.293 101 V C -1.084 175.053 176.094 0.070 0.000 1.021 101 V CA -0.681 61.611 62.300 -0.013 0.000 0.848 101 V CB 1.268 33.048 31.823 -0.072 0.000 0.998 101 V HN 0.638 nan 8.190 nan 0.000 0.424 102 Y N 9.084 129.366 120.300 -0.030 0.000 2.404 102 Y HA 0.515 5.066 4.550 0.001 0.000 0.344 102 Y C -2.259 173.623 175.900 -0.030 0.000 0.995 102 Y CA -2.815 55.274 58.100 -0.019 0.000 1.201 102 Y CB 1.477 39.925 38.460 -0.020 0.000 1.151 102 Y HN 0.418 nan 8.280 nan 0.000 0.517 103 P HA 0.154 nan 4.420 nan 0.000 0.287 103 P C 0.368 177.145 177.300 -0.871 0.000 1.294 103 P CA 0.036 62.821 63.100 -0.525 0.000 0.776 103 P CB 1.576 33.092 31.700 -0.306 0.000 0.889 104 I N 3.920 124.157 120.570 -0.556 0.000 2.676 104 I HA -0.218 3.953 4.170 0.001 0.000 0.259 104 I C 2.382 178.349 176.117 -0.250 0.000 1.194 104 I CA 1.125 62.184 61.300 -0.402 0.000 1.473 104 I CB -0.308 37.607 38.000 -0.141 0.000 1.096 104 I HN 0.374 nan 8.210 nan 0.000 0.443 105 K N 0.212 120.486 120.400 -0.210 0.000 2.211 105 K HA -0.153 4.167 4.320 0.001 0.000 0.204 105 K C 1.693 178.216 176.600 -0.128 0.000 1.047 105 K CA 1.689 57.921 56.287 -0.092 0.000 0.935 105 K CB -0.535 31.956 32.500 -0.015 0.000 0.728 105 K HN 0.226 nan 8.250 nan 0.000 0.452 106 V N 0.996 120.723 119.914 -0.310 0.000 2.453 106 V HA -0.086 4.035 4.120 0.001 0.000 0.247 106 V C 0.751 176.669 176.094 -0.293 0.000 1.048 106 V CA 1.176 63.123 62.300 -0.588 0.000 1.049 106 V CB -0.695 30.830 31.823 -0.496 0.000 0.672 106 V HN 0.534 nan 8.190 nan 0.000 0.457 107 N N -0.407 118.253 118.700 -0.065 0.000 2.976 107 N HA 0.138 4.878 4.740 0.001 0.000 0.249 107 N C -0.094 175.482 175.510 0.111 0.000 1.258 107 N CA -0.163 52.925 53.050 0.062 0.000 0.864 107 N CB 1.599 40.169 38.487 0.138 0.000 1.551 107 N HN 0.070 nan 8.380 nan 0.000 0.607 108 Q N 0.271 120.103 119.800 0.053 0.000 2.403 108 Q HA 0.181 4.522 4.340 0.001 0.000 0.203 108 Q C 0.057 176.080 176.000 0.039 0.000 0.932 108 Q CA 0.374 56.207 55.803 0.049 0.000 0.945 108 Q CB 0.257 29.001 28.738 0.010 0.000 1.045 108 Q HN 0.512 nan 8.270 nan 0.000 0.511 109 Q N 0.850 120.672 119.800 0.037 0.000 2.283 109 Q HA -0.099 4.242 4.340 0.001 0.000 0.301 109 Q C 0.877 176.864 176.000 -0.021 0.000 1.063 109 Q CA 0.346 56.153 55.803 0.007 0.000 0.952 109 Q CB 0.544 29.290 28.738 0.014 0.000 1.166 109 Q HN 0.303 nan 8.270 nan 0.000 0.381 110 R N 3.087 123.556 120.500 -0.051 0.000 2.091 110 R HA -0.179 4.161 4.340 0.001 0.000 0.238 110 R C 1.561 177.790 176.300 -0.118 0.000 1.136 110 R CA 1.892 57.946 56.100 -0.076 0.000 0.959 110 R CB 0.131 30.371 30.300 -0.099 0.000 0.856 110 R HN 0.738 nan 8.270 nan 0.000 0.437 111 E N 0.171 120.268 120.200 -0.170 0.000 2.338 111 E HA -0.083 4.268 4.350 0.001 0.000 0.197 111 E C 1.800 178.329 176.600 -0.119 0.000 1.007 111 E CA 0.838 57.107 56.400 -0.218 0.000 0.849 111 E CB -0.125 29.388 29.700 -0.312 0.000 0.774 111 E HN 0.235 nan 8.360 nan 0.000 0.506 112 V N 1.136 120.988 119.914 -0.104 0.000 2.426 112 V HA -0.147 3.974 4.120 0.001 0.000 0.242 112 V C 2.585 178.559 176.094 -0.201 0.000 1.036 112 V CA 1.071 63.271 62.300 -0.168 0.000 1.044 112 V CB 0.006 31.746 31.823 -0.139 0.000 0.688 112 V HN 0.098 nan 8.190 nan 0.000 0.462 113 V N 0.293 120.135 119.914 -0.121 0.000 2.343 113 V HA -0.256 3.865 4.120 0.001 0.000 0.247 113 V C 2.274 178.326 176.094 -0.070 0.000 1.051 113 V CA 2.164 64.403 62.300 -0.100 0.000 1.036 113 V CB -0.723 31.117 31.823 0.028 0.000 0.654 113 V HN 0.523 nan 8.190 nan 0.000 0.451 114 D N -0.153 120.226 120.400 -0.035 0.000 2.123 114 D HA -0.139 4.502 4.640 0.001 0.000 0.196 114 D C 2.319 178.633 176.300 0.023 0.000 0.992 114 D CA 1.124 55.135 54.000 0.018 0.000 0.833 114 D CB -0.144 40.659 40.800 0.005 0.000 0.954 114 D HN 0.457 nan 8.370 nan 0.000 0.455 115 E N 0.131 120.334 120.200 0.005 0.000 2.107 115 E HA -0.092 4.259 4.350 0.001 0.000 0.191 115 E C 2.263 178.900 176.600 0.061 0.000 0.982 115 E CA 0.213 56.672 56.400 0.098 0.000 0.809 115 E CB 0.007 29.731 29.700 0.041 0.000 0.756 115 E HN 0.283 nan 8.360 nan 0.000 0.459 116 I N 1.471 121.975 120.570 -0.110 0.000 2.127 116 I HA -0.261 3.910 4.170 0.001 0.000 0.241 116 I C 2.568 178.645 176.117 -0.066 0.000 1.075 116 I CA 1.195 62.394 61.300 -0.169 0.000 1.334 116 I CB -1.404 36.333 38.000 -0.438 0.000 1.040 116 I HN 0.080 nan 8.210 nan 0.000 0.405 117 L N 0.393 121.597 121.223 -0.030 0.000 2.131 117 L HA -0.141 4.200 4.340 0.001 0.000 0.210 117 L C 2.670 179.541 176.870 0.003 0.000 1.092 117 L CA 1.137 55.992 54.840 0.024 0.000 0.759 117 L CB -0.785 41.339 42.059 0.109 0.000 0.903 117 L HN 0.195 nan 8.230 nan 0.000 0.435 118 A N -0.368 122.449 122.820 -0.006 0.000 1.972 118 A HA -0.162 4.158 4.320 0.001 0.000 0.219 118 A C 2.502 180.044 177.584 -0.069 0.000 1.169 118 A CA 1.995 54.006 52.037 -0.043 0.000 0.635 118 A CB -0.405 18.578 19.000 -0.027 0.000 0.810 118 A HN 0.401 nan 8.150 nan 0.000 0.446 119 S N -0.427 115.245 115.700 -0.048 0.000 2.329 119 S HA -0.180 4.291 4.470 0.001 0.000 0.215 119 S C 2.001 176.583 174.600 -0.029 0.000 1.031 119 S CA 1.227 59.383 58.200 -0.073 0.000 0.985 119 S CB -0.498 62.624 63.200 -0.129 0.000 0.917 119 S HN 0.670 nan 8.310 nan 0.000 0.441 120 Q N 0.680 120.458 119.800 -0.037 0.000 2.290 120 Q HA -0.194 4.146 4.340 0.001 0.000 0.211 120 Q C 2.199 178.226 176.000 0.046 0.000 0.991 120 Q CA 1.388 57.198 55.803 0.012 0.000 0.893 120 Q CB -0.381 28.366 28.738 0.015 0.000 0.913 120 Q HN 0.619 nan 8.270 nan 0.000 0.428 121 A N -0.037 122.799 122.820 0.027 0.000 2.066 121 A HA -0.122 4.198 4.320 0.001 0.000 0.218 121 A C 1.655 179.265 177.584 0.043 0.000 1.157 121 A CA 0.858 52.909 52.037 0.023 0.000 0.670 121 A CB 0.131 19.120 19.000 -0.018 0.000 0.804 121 A HN 0.200 nan 8.150 nan 0.000 0.453 122 Q N -0.495 119.351 119.800 0.077 0.000 2.319 122 Q HA 0.211 4.552 4.340 0.001 0.000 0.202 122 Q C -0.024 176.062 176.000 0.144 0.000 0.896 122 Q CA -0.038 55.822 55.803 0.096 0.000 0.942 122 Q CB -0.183 28.606 28.738 0.085 0.000 1.083 122 Q HN 0.683 nan 8.270 nan 0.000 0.510 123 L N -2.113 119.224 121.223 0.190 0.000 2.439 123 L HA 0.328 4.668 4.340 0.001 0.000 0.259 123 L C 1.251 178.188 176.870 0.112 0.000 1.129 123 L CA -0.392 54.560 54.840 0.186 0.000 0.803 123 L CB 0.270 42.480 42.059 0.252 0.000 1.161 123 L HN -0.194 nan 8.230 nan 0.000 0.462 124 E N -0.262 119.999 120.200 0.102 0.000 2.086 124 E HA -0.237 4.114 4.350 0.001 0.000 0.200 124 E C 1.617 178.262 176.600 0.075 0.000 1.012 124 E CA 2.025 58.471 56.400 0.077 0.000 0.812 124 E CB -0.231 29.516 29.700 0.078 0.000 0.743 124 E HN 0.911 nan 8.360 nan 0.000 0.453 125 T N 0.539 115.146 114.554 0.088 0.000 3.085 125 T HA -0.090 4.260 4.350 0.001 0.000 0.263 125 T C 0.332 175.075 174.700 0.072 0.000 1.127 125 T CA 0.722 62.870 62.100 0.079 0.000 1.103 125 T CB -0.367 68.552 68.868 0.084 0.000 0.921 125 T HN 0.305 nan 8.240 nan 0.000 0.510 126 K N 1.319 121.764 120.400 0.075 0.000 3.264 126 K HA -0.204 4.116 4.320 0.001 0.000 0.267 126 K C -0.496 176.142 176.600 0.063 0.000 0.886 126 K CA 0.505 56.833 56.287 0.067 0.000 0.665 126 K CB -1.472 31.060 32.500 0.054 0.000 1.447 126 K HN 0.343 nan 8.250 nan 0.000 0.464 127 Q N 1.189 121.026 119.800 0.063 0.000 2.325 127 Q HA 0.352 4.693 4.340 0.001 0.000 0.262 127 Q C 0.061 176.091 176.000 0.050 0.000 0.968 127 Q CA -0.699 55.140 55.803 0.059 0.000 0.877 127 Q CB 1.401 30.175 28.738 0.061 0.000 1.253 127 Q HN 0.392 nan 8.270 nan 0.000 0.448 128 L N 2.119 123.381 121.223 0.064 0.000 2.477 128 L HA 0.286 4.626 4.340 0.001 0.000 0.272 128 L C 0.766 177.665 176.870 0.049 0.000 1.157 128 L CA -0.033 54.848 54.840 0.067 0.000 0.889 128 L CB 0.380 42.501 42.059 0.104 0.000 1.158 128 L HN 0.569 nan 8.230 nan 0.000 0.473 129 G N 5.373 114.193 108.800 0.032 0.000 2.544 129 G HA2 0.665 4.626 3.960 0.001 0.000 0.313 129 G HA3 0.665 4.626 3.960 0.001 0.000 0.313 129 G C -0.933 173.989 174.900 0.038 0.000 1.316 129 G CA -0.413 44.696 45.100 0.014 0.000 0.944 129 G HN 0.408 nan 8.290 nan 0.000 0.489 130 L N 1.173 122.404 121.223 0.013 0.000 2.371 130 L HA 0.661 5.001 4.340 0.001 0.000 0.262 130 L C -0.565 176.283 176.870 -0.037 0.000 1.006 130 L CA -0.982 53.865 54.840 0.013 0.000 0.818 130 L CB 2.852 44.913 42.059 0.004 0.000 1.354 130 L HN 0.413 nan 8.230 nan 0.000 0.415 131 E N 1.420 121.578 120.200 -0.069 0.000 2.293 131 E HA 0.740 5.091 4.350 0.001 0.000 0.270 131 E C -1.807 174.729 176.600 -0.107 0.000 0.879 131 E CA -0.622 55.722 56.400 -0.093 0.000 0.756 131 E CB 2.608 32.239 29.700 -0.114 0.000 1.208 131 E HN 0.660 nan 8.360 nan 0.000 0.428 132 A N 1.751 124.525 122.820 -0.077 0.000 2.355 132 A HA 0.670 4.990 4.320 0.001 0.000 0.317 132 A C 0.295 177.857 177.584 -0.036 0.000 1.094 132 A CA -0.120 51.877 52.037 -0.066 0.000 0.764 132 A CB 1.495 20.460 19.000 -0.059 0.000 1.230 132 A HN 0.562 nan 8.150 nan 0.000 0.448 133 G N 0.347 109.121 108.800 -0.045 0.000 3.453 133 G HA2 0.455 4.415 3.960 0.001 0.000 0.263 133 G HA3 0.455 4.415 3.960 0.001 0.000 0.263 133 G C 0.278 175.196 174.900 0.030 0.000 1.060 133 G CA 0.754 45.841 45.100 -0.022 0.000 0.793 133 G HN 1.627 nan 8.290 nan 0.000 0.532 134 S N -1.640 114.043 115.700 -0.028 0.000 2.636 134 S HA 0.384 4.855 4.470 0.001 0.000 0.268 134 S C 0.615 174.901 174.600 -0.523 0.000 1.159 134 S CA -0.377 57.757 58.200 -0.109 0.000 0.815 134 S CB 1.666 64.834 63.200 -0.053 0.000 1.130 134 S HN -0.013 nan 8.310 nan 0.000 0.471 135 K N 0.686 120.732 120.400 -0.590 0.000 2.025 135 K HA 0.082 4.402 4.320 0.001 0.000 0.207 135 K C -0.984 175.367 176.600 -0.415 0.000 1.049 135 K CA 1.498 57.320 56.287 -0.776 0.000 0.933 135 K CB -1.201 31.065 32.500 -0.389 0.000 0.714 135 K HN 0.496 nan 8.250 nan 0.000 0.438 136 P HA -0.116 nan 4.420 nan 0.000 0.218 136 P C 0.601 177.811 177.300 -0.150 0.000 1.149 136 P CA 1.285 64.295 63.100 -0.151 0.000 0.817 136 P CB -0.014 31.630 31.700 -0.093 0.000 0.785 137 E N -0.607 119.492 120.200 -0.169 0.000 2.110 137 E HA -0.168 4.183 4.350 0.001 0.000 0.193 137 E C 1.941 178.450 176.600 -0.153 0.000 0.988 137 E CA 0.674 56.991 56.400 -0.139 0.000 0.804 137 E CB -0.560 29.070 29.700 -0.117 0.000 0.745 137 E HN 0.103 nan 8.360 nan 0.000 0.458 138 L N 0.853 121.938 121.223 -0.231 0.000 2.027 138 L HA -0.155 4.185 4.340 0.001 0.000 0.206 138 L C 2.050 178.841 176.870 -0.132 0.000 1.074 138 L CA 1.490 56.223 54.840 -0.178 0.000 0.745 138 L CB -0.359 41.558 42.059 -0.236 0.000 0.898 138 L HN 0.088 nan 8.230 nan 0.000 0.433 139 L N -0.374 120.765 121.223 -0.140 0.000 2.042 139 L HA -0.215 4.126 4.340 0.001 0.000 0.210 139 L C 2.669 179.491 176.870 -0.080 0.000 1.076 139 L CA 1.441 56.224 54.840 -0.095 0.000 0.749 139 L CB -0.883 41.123 42.059 -0.089 0.000 0.893 139 L HN 0.403 nan 8.230 nan 0.000 0.432 140 A N -0.798 121.972 122.820 -0.084 0.000 1.898 140 A HA -0.137 4.184 4.320 0.001 0.000 0.216 140 A C 2.353 179.896 177.584 -0.069 0.000 1.181 140 A CA 1.675 53.673 52.037 -0.065 0.000 0.620 140 A CB -0.796 18.170 19.000 -0.056 0.000 0.819 140 A HN 0.178 nan 8.150 nan 0.000 0.442 141 V N 0.155 120.019 119.914 -0.083 0.000 2.261 141 V HA -0.271 3.850 4.120 0.001 0.000 0.246 141 V C 2.594 178.609 176.094 -0.131 0.000 1.047 141 V CA 2.054 64.297 62.300 -0.095 0.000 1.015 141 V CB -0.756 31.008 31.823 -0.099 0.000 0.642 141 V HN 0.588 nan 8.190 nan 0.000 0.446 142 L N 0.035 121.182 121.223 -0.127 0.000 2.043 142 L HA -0.232 4.109 4.340 0.001 0.000 0.212 142 L C 2.704 179.531 176.870 -0.072 0.000 1.075 142 L CA 1.785 56.556 54.840 -0.115 0.000 0.752 142 L CB -0.826 41.200 42.059 -0.054 0.000 0.891 142 L HN 0.383 nan 8.230 nan 0.000 0.432 143 A N -0.489 122.291 122.820 -0.066 0.000 1.933 143 A HA -0.214 4.107 4.320 0.001 0.000 0.218 143 A C 2.230 179.761 177.584 -0.089 0.000 1.175 143 A CA 1.820 53.822 52.037 -0.059 0.000 0.628 143 A CB -0.463 18.509 19.000 -0.046 0.000 0.814 143 A HN 0.402 nan 8.150 nan 0.000 0.444 144 M N -1.008 118.532 119.600 -0.100 0.000 2.562 144 M HA 0.083 4.563 4.480 0.001 0.000 0.257 144 M C 1.356 177.506 176.300 -0.250 0.000 1.099 144 M CA 0.868 56.097 55.300 -0.119 0.000 1.099 144 M CB 0.165 32.733 32.600 -0.054 0.000 1.427 144 M HN 0.410 nan 8.290 nan 0.000 0.489 145 A N -0.143 122.532 122.820 -0.242 0.000 2.701 145 A HA 0.181 4.501 4.320 0.001 0.000 0.297 145 A C 1.067 178.568 177.584 -0.138 0.000 1.197 145 A CA -0.458 51.414 52.037 -0.274 0.000 0.963 145 A CB -0.231 18.680 19.000 -0.148 0.000 1.175 145 A HN 0.520 nan 8.150 nan 0.000 0.531 146 Q N -0.239 119.430 119.800 -0.218 0.000 2.451 146 Q HA -0.052 4.289 4.340 0.001 0.000 0.206 146 Q C 1.361 177.349 176.000 -0.021 0.000 0.947 146 Q CA 1.035 56.807 55.803 -0.050 0.000 0.937 146 Q CB -0.520 28.199 28.738 -0.031 0.000 1.025 146 Q HN 0.980 nan 8.270 nan 0.000 0.511 147 H N -0.553 118.554 119.070 0.062 0.000 2.502 147 H HA 0.450 5.007 4.556 0.001 0.000 0.283 147 H C 0.346 175.698 175.328 0.039 0.000 1.015 147 H CA 0.152 56.225 56.048 0.041 0.000 1.298 147 H CB 0.272 30.056 29.762 0.037 0.000 1.411 147 H HN 0.193 nan 8.280 nan 0.000 0.556 148 A N 0.933 123.931 122.820 0.297 0.000 2.604 148 A HA 0.349 4.669 4.320 0.001 0.000 0.295 148 A C -0.608 177.072 177.584 0.161 0.000 1.067 148 A CA -0.519 51.644 52.037 0.210 0.000 0.683 148 A CB 1.525 20.671 19.000 0.244 0.000 1.281 148 A HN 0.199 nan 8.150 nan 0.000 0.407 149 S N 0.441 116.184 115.700 0.072 0.000 2.546 149 S HA 0.448 4.918 4.470 0.001 0.000 0.290 149 S C 0.309 175.034 174.600 0.209 0.000 1.290 149 S CA 0.899 59.141 58.200 0.071 0.000 1.069 149 S CB 0.014 63.225 63.200 0.018 0.000 0.846 149 S HN 1.650 nan 8.310 nan 0.000 0.495 150 S N 3.452 119.375 115.700 0.371 0.000 2.540 150 S HA 0.491 4.962 4.470 0.001 0.000 0.275 150 S C -0.932 173.757 174.600 0.148 0.000 1.123 150 S CA -0.784 57.550 58.200 0.222 0.000 0.907 150 S CB 1.259 64.553 63.200 0.157 0.000 1.081 150 S HN 0.562 nan 8.310 nan 0.000 0.476 151 V N 5.192 125.163 119.914 0.095 0.000 2.529 151 V HA 0.304 4.425 4.120 0.001 0.000 0.292 151 V C -0.176 175.942 176.094 0.040 0.000 1.028 151 V CA 0.422 62.777 62.300 0.091 0.000 1.074 151 V CB 0.222 32.081 31.823 0.060 0.000 0.958 151 V HN 0.684 nan 8.190 nan 0.000 0.481 152 I N 5.627 126.229 120.570 0.054 0.000 2.439 152 I HA 0.350 4.521 4.170 0.001 0.000 0.285 152 I C -0.462 175.693 176.117 0.063 0.000 1.021 152 I CA -0.634 60.666 61.300 -0.001 0.000 1.091 152 I CB 1.986 39.934 38.000 -0.087 0.000 1.242 152 I HN 0.251 nan 8.210 nan 0.000 0.439 153 V N 5.454 125.375 119.914 0.012 0.000 2.432 153 V HA 0.229 4.350 4.120 0.001 0.000 0.275 153 V C -0.162 175.904 176.094 -0.047 0.000 1.043 153 V CA -0.364 61.929 62.300 -0.012 0.000 0.925 153 V CB 1.164 32.937 31.823 -0.084 0.000 0.985 153 V HN 0.786 nan 8.190 nan 0.000 0.466 154 C N 6.091 125.357 119.300 -0.058 0.000 2.264 154 C HA 0.540 5.001 4.460 0.001 0.000 0.324 154 C C 0.484 175.366 174.990 -0.181 0.000 1.267 154 C CA -1.021 57.967 59.018 -0.050 0.000 1.618 154 C CB -0.502 27.217 27.740 -0.034 0.000 2.278 154 C HN 0.873 nan 8.230 nan 0.000 0.499 155 N N 0.781 119.385 118.700 -0.160 0.000 2.741 155 N HA 0.765 5.505 4.740 0.001 0.000 0.310 155 N C 0.258 175.619 175.510 -0.249 0.000 1.295 155 N CA 0.528 53.397 53.050 -0.301 0.000 0.893 155 N CB 1.844 40.139 38.487 -0.321 0.000 1.247 155 N HN 1.059 nan 8.380 nan 0.000 0.596 156 G N -0.375 108.102 108.800 -0.538 0.000 2.610 156 G HA2 -0.232 3.728 3.960 0.001 0.000 0.304 156 G HA3 -0.232 3.728 3.960 0.001 0.000 0.304 156 G C -1.324 173.316 174.900 -0.433 0.000 1.309 156 G CA -0.722 44.096 45.100 -0.471 0.000 0.906 156 G HN 0.500 nan 8.290 nan 0.000 0.521 157 Y N 1.534 121.777 120.300 -0.095 0.000 2.359 157 Y HA 0.551 5.102 4.550 0.001 0.000 0.334 157 Y C 0.896 176.840 175.900 0.073 0.000 1.058 157 Y CA 0.244 58.364 58.100 0.033 0.000 1.244 157 Y CB 0.681 39.257 38.460 0.192 0.000 1.187 157 Y HN 0.393 nan 8.280 nan 0.000 0.510 158 K N 6.277 126.494 120.400 -0.304 0.000 2.316 158 K HA 0.166 4.486 4.320 0.001 0.000 0.267 158 K C -0.903 175.701 176.600 0.007 0.000 1.025 158 K CA -0.874 55.296 56.287 -0.194 0.000 0.896 158 K CB 0.666 32.852 32.500 -0.523 0.000 1.124 158 K HN 0.681 nan 8.250 nan 0.000 0.451 159 D N 1.356 121.881 120.400 0.209 0.000 2.478 159 D HA 0.079 4.720 4.640 0.001 0.000 0.263 159 D C 0.933 177.295 176.300 0.103 0.000 1.153 159 D CA -0.674 53.430 54.000 0.173 0.000 1.038 159 D CB 0.811 41.728 40.800 0.194 0.000 1.120 159 D HN 0.346 nan 8.370 nan 0.000 0.564 160 R N -0.236 120.311 120.500 0.078 0.000 2.081 160 R HA -0.190 4.151 4.340 0.001 0.000 0.235 160 R C 1.900 178.238 176.300 0.063 0.000 1.131 160 R CA 1.656 57.785 56.100 0.049 0.000 0.960 160 R CB -0.169 30.154 30.300 0.039 0.000 0.856 160 R HN 0.669 nan 8.270 nan 0.000 0.436 161 E N -0.345 119.903 120.200 0.080 0.000 2.038 161 E HA -0.281 4.070 4.350 0.001 0.000 0.195 161 E C 1.792 178.470 176.600 0.129 0.000 1.000 161 E CA 1.684 58.131 56.400 0.078 0.000 0.803 161 E CB -0.385 29.350 29.700 0.058 0.000 0.750 161 E HN 0.515 nan 8.360 nan 0.000 0.448 162 Y N 0.495 120.792 120.300 -0.004 0.000 2.069 162 Y HA -0.313 4.237 4.550 0.001 0.000 0.278 162 Y C 2.207 178.086 175.900 -0.035 0.000 1.175 162 Y CA 1.095 59.183 58.100 -0.020 0.000 1.134 162 Y CB 0.010 38.458 38.460 -0.019 0.000 0.965 162 Y HN 0.143 nan 8.280 nan 0.000 0.498 163 I N 0.719 121.349 120.570 0.100 0.000 2.163 163 I HA -0.325 3.846 4.170 0.001 0.000 0.243 163 I C 2.444 178.572 176.117 0.019 0.000 1.085 163 I CA 1.603 62.886 61.300 -0.029 0.000 1.347 163 I CB -1.376 36.580 38.000 -0.074 0.000 1.044 163 I HN 0.328 nan 8.210 nan 0.000 0.408 164 R N 0.324 120.845 120.500 0.036 0.000 2.083 164 R HA -0.157 4.183 4.340 0.001 0.000 0.237 164 R C 2.389 178.710 176.300 0.035 0.000 1.137 164 R CA 1.247 57.363 56.100 0.026 0.000 0.951 164 R CB -0.459 29.856 30.300 0.024 0.000 0.851 164 R HN 0.323 nan 8.270 nan 0.000 0.434 165 L N 0.021 121.281 121.223 0.061 0.000 2.083 165 L HA -0.159 4.182 4.340 0.001 0.000 0.209 165 L C 2.675 179.579 176.870 0.057 0.000 1.083 165 L CA 1.220 56.092 54.840 0.052 0.000 0.752 165 L CB -0.539 41.546 42.059 0.042 0.000 0.899 165 L HN 0.255 nan 8.230 nan 0.000 0.433 166 A N 0.082 122.956 122.820 0.089 0.000 1.898 166 A HA -0.137 4.183 4.320 0.001 0.000 0.216 166 A C 2.259 179.848 177.584 0.009 0.000 1.181 166 A CA 1.294 53.366 52.037 0.058 0.000 0.620 166 A CB -0.653 18.380 19.000 0.054 0.000 0.819 166 A HN 0.349 nan 8.150 nan 0.000 0.442 167 L N -0.690 120.530 121.223 -0.004 0.000 2.083 167 L HA -0.179 4.161 4.340 0.001 0.000 0.209 167 L C 2.421 179.287 176.870 -0.007 0.000 1.083 167 L CA 1.152 55.980 54.840 -0.019 0.000 0.752 167 L CB -0.498 41.547 42.059 -0.023 0.000 0.899 167 L HN 0.368 nan 8.230 nan 0.000 0.433 168 I N -0.207 120.368 120.570 0.007 0.000 2.286 168 I HA -0.218 3.953 4.170 0.001 0.000 0.248 168 I C 2.616 178.749 176.117 0.026 0.000 1.115 168 I CA 1.373 62.680 61.300 0.012 0.000 1.392 168 I CB -0.747 37.261 38.000 0.015 0.000 1.065 168 I HN 0.265 nan 8.210 nan 0.000 0.418 169 G N 0.326 109.154 108.800 0.046 0.000 2.469 169 G HA2 -0.351 3.609 3.960 0.001 0.000 0.219 169 G HA3 -0.351 3.609 3.960 0.001 0.000 0.219 169 G C 1.514 176.468 174.900 0.090 0.000 1.150 169 G CA 1.196 46.361 45.100 0.108 0.000 0.763 169 G HN 0.370 nan 8.290 nan 0.000 0.561 170 E N 0.537 120.750 120.200 0.021 0.000 2.077 170 E HA -0.096 4.255 4.350 0.001 0.000 0.193 170 E C 2.318 178.902 176.600 -0.026 0.000 0.989 170 E CA 1.409 57.797 56.400 -0.019 0.000 0.800 170 E CB -0.274 29.388 29.700 -0.063 0.000 0.746 170 E HN 0.455 nan 8.360 nan 0.000 0.452 171 K N -0.145 120.243 120.400 -0.020 0.000 2.103 171 K HA -0.100 4.221 4.320 0.001 0.000 0.207 171 K C 1.693 178.273 176.600 -0.034 0.000 1.048 171 K CA 1.339 57.612 56.287 -0.024 0.000 0.930 171 K CB -0.140 32.351 32.500 -0.015 0.000 0.716 171 K HN 0.240 nan 8.250 nan 0.000 0.444 172 L N -0.644 120.557 121.223 -0.035 0.000 2.599 172 L HA 0.073 4.414 4.340 0.001 0.000 0.230 172 L C 1.149 177.919 176.870 -0.167 0.000 1.141 172 L CA 0.581 55.375 54.840 -0.078 0.000 0.877 172 L CB 0.197 42.223 42.059 -0.055 0.000 1.009 172 L HN 0.588 nan 8.230 nan 0.000 0.447 173 G N -1.297 107.419 108.800 -0.140 0.000 2.201 173 G HA2 -0.221 3.739 3.960 0.001 0.000 0.212 173 G HA3 -0.221 3.739 3.960 0.001 0.000 0.212 173 G C 0.070 174.867 174.900 -0.170 0.000 0.994 173 G CA -0.477 44.526 45.100 -0.162 0.000 0.644 173 G HN 0.467 nan 8.290 nan 0.000 0.508 174 H N 0.679 119.730 119.070 -0.032 0.000 2.562 174 H HA 0.538 5.095 4.556 0.001 0.000 0.352 174 H C 0.078 175.367 175.328 -0.067 0.000 1.125 174 H CA -0.125 55.903 56.048 -0.034 0.000 1.379 174 H CB 0.764 30.507 29.762 -0.032 0.000 1.464 174 H HN 0.038 nan 8.280 nan 0.000 0.563 175 K N 2.264 122.711 120.400 0.079 0.000 2.220 175 K HA 0.191 4.512 4.320 0.001 0.000 0.283 175 K C -1.061 175.458 176.600 -0.136 0.000 1.098 175 K CA -0.211 56.030 56.287 -0.078 0.000 0.928 175 K CB 0.347 32.834 32.500 -0.023 0.000 1.214 175 K HN 0.226 nan 8.250 nan 0.000 0.442 176 V N 4.663 124.433 119.914 -0.239 0.000 2.350 176 V HA 0.349 4.470 4.120 0.001 0.000 0.276 176 V C -0.475 175.421 176.094 -0.330 0.000 1.028 176 V CA -0.745 61.451 62.300 -0.173 0.000 0.860 176 V CB -0.000 31.763 31.823 -0.099 0.000 0.990 176 V HN 0.463 nan 8.190 nan 0.000 0.453 177 F N 4.852 124.734 119.950 -0.114 0.000 2.415 177 F HA 0.556 5.083 4.527 0.001 0.000 0.348 177 F C 0.388 176.104 175.800 -0.140 0.000 1.119 177 F CA -0.489 57.434 58.000 -0.127 0.000 1.069 177 F CB 1.313 40.218 39.000 -0.160 0.000 1.124 177 F HN 0.290 nan 8.300 nan 0.000 0.472 178 I N 4.771 125.340 120.570 -0.002 0.000 2.306 178 I HA 0.199 4.370 4.170 0.001 0.000 0.288 178 I C -0.655 175.401 176.117 -0.102 0.000 1.036 178 I CA -0.696 60.542 61.300 -0.103 0.000 1.221 178 I CB 0.959 38.876 38.000 -0.139 0.000 1.385 178 I HN 0.205 nan 8.210 nan 0.000 0.472 179 V N 7.866 127.676 119.914 -0.173 0.000 2.387 179 V HA 0.124 4.244 4.120 0.001 0.000 0.260 179 V C 0.559 176.526 176.094 -0.212 0.000 1.054 179 V CA -0.394 61.787 62.300 -0.198 0.000 0.967 179 V CB 0.531 32.149 31.823 -0.342 0.000 1.036 179 V HN 0.486 nan 8.190 nan 0.000 0.481 180 L N 5.477 126.621 121.223 -0.132 0.000 2.500 180 L HA 0.187 4.528 4.340 0.001 0.000 0.272 180 L C 1.069 177.871 176.870 -0.113 0.000 1.149 180 L CA 0.444 55.210 54.840 -0.124 0.000 0.897 180 L CB 0.093 42.114 42.059 -0.063 0.000 1.178 180 L HN 0.708 nan 8.230 nan 0.000 0.473 181 E N 2.153 122.260 120.200 -0.154 0.000 2.539 181 E HA 0.133 4.484 4.350 0.001 0.000 0.215 181 E C -0.019 176.581 176.600 0.000 0.000 0.965 181 E CA -0.025 56.321 56.400 -0.090 0.000 1.019 181 E CB 1.002 30.557 29.700 -0.242 0.000 1.059 181 E HN 0.417 nan 8.360 nan 0.000 0.496 182 K N 0.437 120.800 120.400 -0.062 0.000 2.464 182 K HA 0.231 4.552 4.320 0.001 0.000 0.253 182 K C 0.278 176.857 176.600 -0.034 0.000 0.933 182 K CA -0.415 55.858 56.287 -0.023 0.000 0.801 182 K CB 1.533 33.989 32.500 -0.073 0.000 1.271 182 K HN -0.146 nan 8.250 nan 0.000 0.430 183 M N 2.237 121.837 119.600 -0.000 0.000 2.108 183 M HA -0.146 4.335 4.480 0.001 0.000 0.261 183 M C 1.493 177.785 176.300 -0.013 0.000 1.066 183 M CA 2.422 57.723 55.300 0.003 0.000 1.107 183 M CB -0.243 32.371 32.600 0.023 0.000 1.356 183 M HN 0.690 nan 8.290 nan 0.000 0.406 184 S N 0.040 115.730 115.700 -0.017 0.000 2.500 184 S HA -0.173 4.298 4.470 0.001 0.000 0.239 184 S C 1.505 176.074 174.600 -0.053 0.000 0.989 184 S CA 1.127 59.313 58.200 -0.022 0.000 0.951 184 S CB -1.101 62.096 63.200 -0.006 0.000 0.759 184 S HN 0.798 nan 8.310 nan 0.000 0.523 185 E N 0.786 120.933 120.200 -0.089 0.000 2.358 185 E HA -0.017 4.334 4.350 0.001 0.000 0.195 185 E C 1.910 178.457 176.600 -0.089 0.000 1.010 185 E CA 0.395 56.723 56.400 -0.121 0.000 0.856 185 E CB -0.447 29.130 29.700 -0.205 0.000 0.795 185 E HN 0.480 nan 8.360 nan 0.000 0.504 186 L N 2.569 123.755 121.223 -0.060 0.000 1.989 186 L HA -0.196 4.145 4.340 0.001 0.000 0.211 186 L C 2.048 178.897 176.870 -0.035 0.000 1.071 186 L CA 2.527 57.342 54.840 -0.042 0.000 0.749 186 L CB -0.715 41.332 42.059 -0.020 0.000 0.890 186 L HN 0.077 nan 8.230 nan 0.000 0.431 187 D N -1.151 119.234 120.400 -0.026 0.000 2.123 187 D HA -0.237 4.403 4.640 0.001 0.000 0.196 187 D C 2.145 178.431 176.300 -0.023 0.000 0.992 187 D CA 1.364 55.353 54.000 -0.018 0.000 0.833 187 D CB -0.172 40.623 40.800 -0.010 0.000 0.954 187 D HN 0.293 nan 8.370 nan 0.000 0.455 188 L N -0.221 120.983 121.223 -0.033 0.000 2.083 188 L HA -0.087 4.254 4.340 0.001 0.000 0.209 188 L C 2.147 178.991 176.870 -0.044 0.000 1.083 188 L CA 1.258 56.077 54.840 -0.035 0.000 0.752 188 L CB -0.311 41.721 42.059 -0.045 0.000 0.899 188 L HN 0.031 nan 8.230 nan 0.000 0.433 189 V N -0.785 119.095 119.914 -0.057 0.000 2.379 189 V HA -0.241 3.879 4.120 0.001 0.000 0.245 189 V C 2.468 178.537 176.094 -0.042 0.000 1.044 189 V CA 1.626 63.890 62.300 -0.061 0.000 1.036 189 V CB -0.469 31.308 31.823 -0.077 0.000 0.664 189 V HN 0.385 nan 8.190 nan 0.000 0.453 190 L N -0.378 120.825 121.223 -0.033 0.000 2.012 190 L HA -0.223 4.118 4.340 0.001 0.000 0.210 190 L C 2.812 179.671 176.870 -0.019 0.000 1.073 190 L CA 1.871 56.698 54.840 -0.022 0.000 0.748 190 L CB -0.642 41.408 42.059 -0.015 0.000 0.891 190 L HN 0.248 nan 8.230 nan 0.000 0.431 191 R N -0.360 120.130 120.500 -0.017 0.000 2.062 191 R HA -0.128 4.213 4.340 0.001 0.000 0.231 191 R C 2.284 178.576 176.300 -0.013 0.000 1.136 191 R CA 1.145 57.237 56.100 -0.012 0.000 0.948 191 R CB -0.267 30.027 30.300 -0.009 0.000 0.845 191 R HN 0.296 nan 8.270 nan 0.000 0.430 192 E N 0.696 120.886 120.200 -0.017 0.000 2.153 192 E HA -0.141 4.210 4.350 0.001 0.000 0.194 192 E C 1.912 178.501 176.600 -0.017 0.000 0.988 192 E CA 1.318 57.709 56.400 -0.015 0.000 0.811 192 E CB -0.219 29.470 29.700 -0.017 0.000 0.746 192 E HN 0.358 nan 8.360 nan 0.000 0.466 193 A N 1.033 123.839 122.820 -0.023 0.000 1.969 193 A HA -0.156 4.165 4.320 0.001 0.000 0.218 193 A C 2.141 179.714 177.584 -0.018 0.000 1.169 193 A CA 1.606 53.629 52.037 -0.024 0.000 0.635 193 A CB -0.223 18.759 19.000 -0.031 0.000 0.810 193 A HN 0.078 nan 8.150 nan 0.000 0.445 194 K N -0.013 120.379 120.400 -0.014 0.000 2.025 194 K HA -0.092 4.229 4.320 0.001 0.000 0.207 194 K C 2.372 178.967 176.600 -0.008 0.000 1.049 194 K CA 1.449 57.730 56.287 -0.010 0.000 0.933 194 K CB -0.296 32.199 32.500 -0.008 0.000 0.714 194 K HN 0.436 nan 8.250 nan 0.000 0.438 195 S N -0.142 115.554 115.700 -0.008 0.000 2.400 195 S HA -0.091 4.379 4.470 0.001 0.000 0.232 195 S C 1.452 176.049 174.600 -0.006 0.000 1.025 195 S CA 1.097 59.294 58.200 -0.005 0.000 0.993 195 S CB -0.118 63.080 63.200 -0.004 0.000 0.808 195 S HN 0.320 nan 8.310 nan 0.000 0.478 196 L N 0.550 121.768 121.223 -0.008 0.000 2.667 196 L HA 0.377 4.718 4.340 0.001 0.000 0.232 196 L C 1.600 178.464 176.870 -0.011 0.000 1.138 196 L CA 0.278 55.113 54.840 -0.009 0.000 0.921 196 L CB -0.072 41.981 42.059 -0.010 0.000 1.180 196 L HN 0.493 nan 8.230 nan 0.000 0.487 197 G N 0.608 109.401 108.800 -0.011 0.000 2.168 197 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 197 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 197 G C 0.137 175.027 174.900 -0.016 0.000 0.997 197 G CA 0.312 45.405 45.100 -0.012 0.000 0.708 197 G HN 0.158 nan 8.290 nan 0.000 0.520 198 V N 0.622 120.525 119.914 -0.020 0.000 2.472 198 V HA 0.556 4.676 4.120 0.001 0.000 0.290 198 V C 0.789 176.865 176.094 -0.030 0.000 1.037 198 V CA -0.218 62.066 62.300 -0.027 0.000 0.908 198 V CB 1.825 33.630 31.823 -0.031 0.000 0.985 198 V HN 0.249 nan 8.190 nan 0.000 0.454 199 T N 7.566 122.100 114.554 -0.033 0.000 2.737 199 T HA 0.294 4.644 4.350 0.001 0.000 0.296 199 T C -2.200 172.468 174.700 -0.054 0.000 0.922 199 T CA -0.587 61.492 62.100 -0.035 0.000 1.079 199 T CB 0.789 69.640 68.868 -0.028 0.000 0.892 199 T HN 0.543 nan 8.240 nan 0.000 0.514 200 P HA 0.258 nan 4.420 nan 0.000 0.279 200 P C -0.685 176.561 177.300 -0.091 0.000 1.239 200 P CA -0.684 62.371 63.100 -0.075 0.000 0.789 200 P CB 0.826 32.491 31.700 -0.058 0.000 0.933 201 R N 2.797 123.201 120.500 -0.160 0.000 2.294 201 R HA 0.612 4.953 4.340 0.001 0.000 0.319 201 R C -0.253 175.994 176.300 -0.089 0.000 0.984 201 R CA -0.797 55.188 56.100 -0.192 0.000 0.861 201 R CB 0.706 30.669 30.300 -0.561 0.000 1.104 201 R HN 0.437 nan 8.270 nan 0.000 0.451 202 L N 1.765 123.012 121.223 0.039 0.000 2.334 202 L HA 0.633 4.974 4.340 0.001 0.000 0.276 202 L C 0.582 177.553 176.870 0.169 0.000 1.014 202 L CA -0.749 54.134 54.840 0.072 0.000 0.815 202 L CB 2.101 44.183 42.059 0.037 0.000 1.268 202 L HN 0.801 nan 8.230 nan 0.000 0.428 203 G N 2.341 111.210 108.800 0.115 0.000 2.644 203 G HA2 0.806 4.767 3.960 0.001 0.000 0.307 203 G HA3 0.806 4.767 3.960 0.001 0.000 0.307 203 G C -1.103 173.819 174.900 0.038 0.000 1.250 203 G CA -0.512 44.642 45.100 0.090 0.000 0.996 203 G HN 0.413 nan 8.290 nan 0.000 0.489 204 I N 0.095 120.695 120.570 0.049 0.000 2.534 204 I HA 0.324 4.495 4.170 0.001 0.000 0.288 204 I C -0.339 175.811 176.117 0.054 0.000 1.077 204 I CA -0.775 60.547 61.300 0.036 0.000 1.051 204 I CB 2.547 40.585 38.000 0.063 0.000 1.234 204 I HN 0.435 nan 8.210 nan 0.000 0.425 205 R N 7.109 127.628 120.500 0.032 0.000 2.298 205 R HA 0.517 4.858 4.340 0.001 0.000 0.310 205 R C -0.589 175.732 176.300 0.034 0.000 1.068 205 R CA -0.258 55.901 56.100 0.097 0.000 0.957 205 R CB 0.609 30.967 30.300 0.097 0.000 1.003 205 R HN 0.614 nan 8.270 nan 0.000 0.454 206 I N 0.720 121.273 120.570 -0.029 0.000 2.498 206 I HA 0.512 4.683 4.170 0.001 0.000 0.301 206 I C -0.421 175.603 176.117 -0.156 0.000 0.984 206 I CA -1.127 60.036 61.300 -0.228 0.000 1.204 206 I CB 1.839 39.436 38.000 -0.671 0.000 1.362 206 I HN 0.472 nan 8.210 nan 0.000 0.471 207 R N 5.126 125.549 120.500 -0.129 0.000 2.312 207 R HA 0.636 4.976 4.340 0.001 0.000 0.311 207 R C -1.005 175.296 176.300 0.002 0.000 1.004 207 R CA -0.690 55.407 56.100 -0.005 0.000 0.902 207 R CB 1.566 31.915 30.300 0.082 0.000 1.073 207 R HN 0.591 nan 8.270 nan 0.000 0.457 208 L N 1.318 122.561 121.223 0.034 0.000 2.344 208 L HA 0.427 4.768 4.340 0.001 0.000 0.272 208 L C 0.976 177.947 176.870 0.168 0.000 1.035 208 L CA -0.362 54.515 54.840 0.062 0.000 0.807 208 L CB 1.728 43.775 42.059 -0.021 0.000 1.237 208 L HN 0.745 nan 8.230 nan 0.000 0.442 209 A N 0.232 123.165 122.820 0.188 0.000 2.308 209 A HA 0.036 4.357 4.320 0.001 0.000 0.217 209 A C 1.503 179.165 177.584 0.130 0.000 1.216 209 A CA 0.580 52.740 52.037 0.204 0.000 0.864 209 A CB -0.157 18.925 19.000 0.137 0.000 0.902 209 A HN 0.735 nan 8.150 nan 0.000 0.499 210 S N -1.108 114.644 115.700 0.086 0.000 2.572 210 S HA 0.132 4.603 4.470 0.001 0.000 0.228 210 S C 0.610 175.239 174.600 0.048 0.000 0.963 210 S CA -0.191 58.042 58.200 0.055 0.000 0.939 210 S CB 0.117 63.336 63.200 0.031 0.000 0.804 210 S HN 0.379 nan 8.310 nan 0.000 0.480 211 Q N 1.292 121.127 119.800 0.059 0.000 2.157 211 Q HA 0.432 4.773 4.340 0.001 0.000 0.229 211 Q C 0.552 176.581 176.000 0.048 0.000 0.827 211 Q CA 0.318 56.148 55.803 0.045 0.000 1.055 211 Q CB 0.848 29.608 28.738 0.038 0.000 1.157 211 Q HN 0.695 nan 8.270 nan 0.000 0.482 212 G N 0.639 109.477 108.800 0.064 0.000 2.484 212 G HA2 0.131 4.092 3.960 0.001 0.000 0.685 212 G HA3 0.131 4.092 3.960 0.001 0.000 0.685 212 G C -0.699 174.255 174.900 0.090 0.000 1.294 212 G CA -0.626 44.511 45.100 0.061 0.000 0.879 212 G HN 0.294 nan 8.290 nan 0.000 0.646 213 A N -0.054 122.817 122.820 0.086 0.000 2.555 213 A HA 0.652 4.973 4.320 0.001 0.000 0.233 213 A C 2.167 179.783 177.584 0.054 0.000 1.060 213 A CA 2.488 54.595 52.037 0.117 0.000 0.759 213 A CB -0.051 19.001 19.000 0.087 0.000 0.995 213 A HN 3.009 nan 8.150 nan 0.000 0.506 214 G N 0.951 109.765 108.800 0.022 0.000 2.328 214 G HA2 -0.342 3.619 3.960 0.001 0.000 0.256 214 G HA3 -0.342 3.619 3.960 0.001 0.000 0.256 214 G C 1.028 175.687 174.900 -0.402 0.000 1.014 214 G CA 0.980 45.912 45.100 -0.279 0.000 0.620 214 G HN 0.828 nan 8.290 nan 0.000 0.530 215 K N 0.260 120.577 120.400 -0.139 0.000 2.365 215 K HA 0.007 4.328 4.320 0.001 0.000 0.199 215 K C 2.290 178.862 176.600 -0.045 0.000 1.045 215 K CA 1.202 57.437 56.287 -0.086 0.000 0.962 215 K CB -0.250 32.255 32.500 0.009 0.000 0.759 215 K HN 0.842 nan 8.250 nan 0.000 0.469 216 W N 2.177 123.498 121.300 0.035 0.000 2.421 216 W HA -0.065 4.596 4.660 0.001 0.000 0.270 216 W C 0.508 177.059 176.519 0.053 0.000 1.233 216 W CA 0.032 57.409 57.345 0.053 0.000 1.226 216 W CB -0.570 28.930 29.460 0.067 0.000 1.121 216 W HN 0.014 nan 8.180 nan 0.000 0.579 217 Q N 0.753 120.124 119.800 -0.715 0.000 2.235 217 Q HA 0.423 4.764 4.340 0.001 0.000 0.250 217 Q C 1.005 176.830 176.000 -0.292 0.000 0.909 217 Q CA 0.256 55.635 55.803 -0.707 0.000 0.910 217 Q CB 2.147 30.092 28.738 -1.322 0.000 1.223 217 Q HN 0.027 nan 8.270 nan 0.000 0.432 218 A N 2.821 125.564 122.820 -0.128 0.000 1.861 218 A HA 0.005 4.326 4.320 0.001 0.000 0.212 218 A C 1.049 178.587 177.584 -0.075 0.000 1.199 218 A CA 1.074 53.077 52.037 -0.057 0.000 0.613 218 A CB -0.509 18.500 19.000 0.015 0.000 0.846 218 A HN 0.825 nan 8.150 nan 0.000 0.446 219 S N -1.366 114.286 115.700 -0.078 0.000 2.625 219 S HA 0.520 4.991 4.470 0.001 0.000 0.258 219 S C 0.740 175.264 174.600 -0.127 0.000 1.256 219 S CA 0.112 58.267 58.200 -0.075 0.000 0.983 219 S CB -0.009 63.163 63.200 -0.047 0.000 1.032 219 S HN 2.229 nan 8.310 nan 0.000 0.572 220 G N -1.247 107.493 108.800 -0.100 0.000 2.663 220 G HA2 0.251 4.212 3.960 0.001 0.000 0.686 220 G HA3 0.251 4.212 3.960 0.001 0.000 0.686 220 G C 0.345 175.183 174.900 -0.104 0.000 1.288 220 G CA -0.206 44.824 45.100 -0.117 0.000 0.836 220 G HN 1.607 nan 8.290 nan 0.000 0.584 221 G N -0.693 108.052 108.800 -0.092 0.000 3.141 221 G HA2 0.379 4.339 3.960 0.001 0.000 0.218 221 G HA3 0.379 4.339 3.960 0.001 0.000 0.218 221 G C 0.546 175.397 174.900 -0.082 0.000 1.170 221 G CA 0.965 46.020 45.100 -0.075 0.000 0.769 221 G HN 0.742 nan 8.290 nan 0.000 0.546 222 E N 1.085 121.221 120.200 -0.107 0.000 2.338 222 E HA 0.137 4.487 4.350 0.001 0.000 0.272 222 E C 0.213 176.751 176.600 -0.103 0.000 1.029 222 E CA -0.407 55.932 56.400 -0.103 0.000 0.872 222 E CB 0.803 30.428 29.700 -0.125 0.000 1.015 222 E HN -0.104 nan 8.360 nan 0.000 0.417 223 K N 2.097 122.444 120.400 -0.088 0.000 2.627 223 K HA 0.151 4.471 4.320 0.001 0.000 0.212 223 K C -0.268 176.269 176.600 -0.106 0.000 1.041 223 K CA -0.059 56.172 56.287 -0.093 0.000 1.205 223 K CB -0.199 32.254 32.500 -0.078 0.000 0.936 223 K HN 0.146 nan 8.250 nan 0.000 0.489 224 S N 1.304 116.943 115.700 -0.103 0.000 2.448 224 S HA 0.197 4.667 4.470 0.001 0.000 0.279 224 S C 1.139 175.642 174.600 -0.162 0.000 1.195 224 S CA -0.387 57.754 58.200 -0.099 0.000 1.051 224 S CB 1.346 64.515 63.200 -0.052 0.000 0.948 224 S HN 0.159 nan 8.310 nan 0.000 0.493 225 K N 1.587 121.805 120.400 -0.303 0.000 2.062 225 K HA 0.032 4.352 4.320 0.001 0.000 0.205 225 K C -0.362 175.955 176.600 -0.472 0.000 1.051 225 K CA 1.102 57.036 56.287 -0.588 0.000 0.941 225 K CB 0.032 31.741 32.500 -1.319 0.000 0.719 225 K HN 0.429 nan 8.250 nan 0.000 0.440 226 F N -0.068 119.906 119.950 0.040 0.000 2.522 226 F HA 0.555 5.083 4.527 0.001 0.000 0.324 226 F C 0.491 176.307 175.800 0.026 0.000 1.077 226 F CA -1.103 56.914 58.000 0.028 0.000 0.944 226 F CB 2.103 41.122 39.000 0.031 0.000 1.175 226 F HN 0.167 nan 8.300 nan 0.000 0.468 227 G N 1.629 110.562 108.800 0.222 0.000 2.528 227 G HA2 0.122 4.082 3.960 0.001 0.000 0.681 227 G HA3 0.122 4.082 3.960 0.001 0.000 0.681 227 G C -1.982 172.968 174.900 0.083 0.000 1.340 227 G CA -1.322 43.852 45.100 0.123 0.000 0.855 227 G HN 0.639 nan 8.290 nan 0.000 0.649 228 L N 1.813 123.073 121.223 0.061 0.000 2.312 228 L HA 0.584 4.925 4.340 0.001 0.000 0.281 228 L C 1.570 178.500 176.870 0.100 0.000 1.070 228 L CA -0.488 54.395 54.840 0.073 0.000 0.805 228 L CB 1.520 43.621 42.059 0.070 0.000 1.174 228 L HN 0.957 nan 8.230 nan 0.000 0.434 229 S N 2.110 117.890 115.700 0.134 0.000 2.587 229 S HA 0.142 4.613 4.470 0.001 0.000 0.260 229 S C 1.295 176.048 174.600 0.255 0.000 1.353 229 S CA 0.063 58.393 58.200 0.216 0.000 0.995 229 S CB 1.250 64.584 63.200 0.223 0.000 0.912 229 S HN 0.722 nan 8.310 nan 0.000 0.568 230 A N 1.428 124.442 122.820 0.324 0.000 1.940 230 A HA -0.046 4.274 4.320 0.001 0.000 0.219 230 A C 2.510 180.208 177.584 0.190 0.000 1.176 230 A CA 2.086 54.308 52.037 0.309 0.000 0.631 230 A CB -1.536 17.584 19.000 0.201 0.000 0.814 230 A HN 0.911 nan 8.150 nan 0.000 0.446 231 S N -1.117 114.680 115.700 0.161 0.000 2.387 231 S HA -0.147 4.323 4.470 0.001 0.000 0.226 231 S C 2.147 176.810 174.600 0.106 0.000 1.026 231 S CA 1.395 59.663 58.200 0.114 0.000 0.972 231 S CB -0.276 62.990 63.200 0.110 0.000 0.814 231 S HN 0.695 nan 8.310 nan 0.000 0.477 232 Q N 0.139 120.010 119.800 0.118 0.000 2.119 232 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 232 Q C 2.174 178.233 176.000 0.099 0.000 0.972 232 Q CA 1.370 57.230 55.803 0.095 0.000 0.847 232 Q CB -0.179 28.612 28.738 0.088 0.000 0.903 232 Q HN 0.391 nan 8.270 nan 0.000 0.433 233 V N 1.157 121.154 119.914 0.138 0.000 2.332 233 V HA -0.270 3.851 4.120 0.001 0.000 0.248 233 V C 2.082 178.243 176.094 0.112 0.000 1.055 233 V CA 1.597 63.987 62.300 0.150 0.000 1.038 233 V CB -0.451 31.526 31.823 0.257 0.000 0.651 233 V HN 0.379 nan 8.190 nan 0.000 0.450 234 L N 0.072 121.354 121.223 0.099 0.000 2.275 234 L HA -0.095 4.245 4.340 0.001 0.000 0.215 234 L C 2.291 179.193 176.870 0.053 0.000 1.119 234 L CA 0.933 55.812 54.840 0.065 0.000 0.790 234 L CB -0.613 41.476 42.059 0.050 0.000 0.919 234 L HN 0.382 nan 8.230 nan 0.000 0.443 235 N N -0.404 118.329 118.700 0.056 0.000 2.270 235 N HA -0.097 4.644 4.740 0.001 0.000 0.181 235 N C 1.918 177.450 175.510 0.038 0.000 1.016 235 N CA 0.870 53.946 53.050 0.043 0.000 0.870 235 N CB -0.114 38.398 38.487 0.042 0.000 0.979 235 N HN 0.083 nan 8.380 nan 0.000 0.431 236 V N 1.797 121.738 119.914 0.045 0.000 2.343 236 V HA -0.164 3.957 4.120 0.001 0.000 0.247 236 V C 2.148 178.264 176.094 0.036 0.000 1.051 236 V CA 1.050 63.373 62.300 0.038 0.000 1.036 236 V CB -0.263 31.586 31.823 0.043 0.000 0.654 236 V HN 0.198 nan 8.190 nan 0.000 0.451 237 I N -0.055 120.540 120.570 0.041 0.000 2.315 237 I HA -0.122 4.049 4.170 0.001 0.000 0.248 237 I C 2.494 178.627 176.117 0.027 0.000 1.117 237 I CA 1.447 62.768 61.300 0.035 0.000 1.404 237 I CB -1.365 36.656 38.000 0.036 0.000 1.071 237 I HN 0.289 nan 8.210 nan 0.000 0.419 238 S N 0.618 116.334 115.700 0.026 0.000 2.387 238 S HA -0.150 4.321 4.470 0.001 0.000 0.226 238 S C 2.066 176.677 174.600 0.018 0.000 1.026 238 S CA 1.036 59.249 58.200 0.021 0.000 0.972 238 S CB -0.162 63.051 63.200 0.021 0.000 0.814 238 S HN 0.332 nan 8.310 nan 0.000 0.477 239 R N 1.787 122.299 120.500 0.019 0.000 2.062 239 R HA 0.085 4.426 4.340 0.001 0.000 0.231 239 R C 2.000 178.308 176.300 0.014 0.000 1.136 239 R CA 1.352 57.461 56.100 0.015 0.000 0.948 239 R CB -0.860 29.448 30.300 0.014 0.000 0.845 239 R HN 0.348 nan 8.270 nan 0.000 0.430 240 L N 0.443 121.676 121.223 0.016 0.000 2.187 240 L HA -0.153 4.188 4.340 0.001 0.000 0.213 240 L C 2.384 179.262 176.870 0.015 0.000 1.100 240 L CA 1.518 56.367 54.840 0.015 0.000 0.765 240 L CB -0.351 41.720 42.059 0.020 0.000 0.904 240 L HN 0.239 nan 8.230 nan 0.000 0.437 241 K N -0.031 120.378 120.400 0.015 0.000 2.062 241 K HA -0.116 4.204 4.320 0.001 0.000 0.205 241 K C 2.141 178.748 176.600 0.011 0.000 1.051 241 K CA 0.950 57.245 56.287 0.013 0.000 0.941 241 K CB 0.026 32.534 32.500 0.013 0.000 0.719 241 K HN 0.225 nan 8.250 nan 0.000 0.440 242 K N 0.847 121.254 120.400 0.011 0.000 2.103 242 K HA -0.130 4.191 4.320 0.001 0.000 0.207 242 K C 1.558 178.162 176.600 0.008 0.000 1.048 242 K CA 1.048 57.341 56.287 0.009 0.000 0.930 242 K CB 0.055 32.561 32.500 0.009 0.000 0.716 242 K HN 0.140 nan 8.250 nan 0.000 0.444 243 E N 0.733 120.938 120.200 0.008 0.000 2.511 243 E HA -0.058 4.292 4.350 0.001 0.000 0.196 243 E C -0.336 176.267 176.600 0.006 0.000 1.066 243 E CA 0.167 56.570 56.400 0.006 0.000 0.871 243 E CB -0.386 29.317 29.700 0.004 0.000 0.863 243 E HN 0.272 nan 8.360 nan 0.000 0.520 244 N N 1.135 119.840 118.700 0.008 0.000 2.725 244 N HA -0.212 4.529 4.740 0.001 0.000 0.251 244 N C -0.257 175.259 175.510 0.009 0.000 1.031 244 N CA 0.637 53.692 53.050 0.008 0.000 0.720 244 N CB -1.079 37.412 38.487 0.007 0.000 0.930 244 N HN 0.244 nan 8.380 nan 0.000 0.543 245 Q N -0.655 119.151 119.800 0.011 0.000 2.088 245 Q HA 0.214 4.555 4.340 0.001 0.000 0.270 245 Q C 0.725 176.736 176.000 0.018 0.000 0.854 245 Q CA -0.386 55.424 55.803 0.012 0.000 1.104 245 Q CB 0.437 29.179 28.738 0.007 0.000 1.251 245 Q HN 0.316 nan 8.270 nan 0.000 0.436 246 L N 1.812 123.047 121.223 0.021 0.000 2.131 246 L HA -0.164 4.176 4.340 0.001 0.000 0.210 246 L C 1.837 178.729 176.870 0.037 0.000 1.092 246 L CA 2.086 56.942 54.840 0.027 0.000 0.759 246 L CB -0.057 42.016 42.059 0.023 0.000 0.903 246 L HN 0.345 nan 8.230 nan 0.000 0.435 247 D N -2.204 118.217 120.400 0.034 0.000 2.310 247 D HA -0.192 4.448 4.640 0.001 0.000 0.212 247 D C 1.638 177.971 176.300 0.054 0.000 0.965 247 D CA 1.334 55.361 54.000 0.044 0.000 0.879 247 D CB -0.531 40.290 40.800 0.035 0.000 0.921 247 D HN 0.527 nan 8.370 nan 0.000 0.510 248 T N -1.275 113.304 114.554 0.042 0.000 3.088 248 T HA -0.000 4.350 4.350 0.001 0.000 0.259 248 T C 0.987 175.729 174.700 0.071 0.000 1.122 248 T CA -0.428 61.696 62.100 0.040 0.000 1.095 248 T CB -0.300 68.576 68.868 0.013 0.000 0.930 248 T HN 0.005 nan 8.240 nan 0.000 0.508 249 L N 2.119 123.390 121.223 0.080 0.000 2.454 249 L HA 0.380 4.721 4.340 0.001 0.000 0.284 249 L C 0.994 177.961 176.870 0.162 0.000 1.139 249 L CA 0.294 55.198 54.840 0.107 0.000 0.911 249 L CB 0.228 42.338 42.059 0.085 0.000 1.262 249 L HN 0.164 nan 8.230 nan 0.000 0.453 250 Q N 3.425 123.367 119.800 0.238 0.000 2.316 250 Q HA 0.348 4.689 4.340 0.001 0.000 0.235 250 Q C -0.591 175.630 176.000 0.368 0.000 0.863 250 Q CA 0.010 56.022 55.803 0.348 0.000 0.939 250 Q CB 0.904 29.951 28.738 0.515 0.000 1.108 250 Q HN 0.646 nan 8.270 nan 0.000 0.522 251 L N 0.532 121.913 121.223 0.264 0.000 2.436 251 L HA 0.540 4.880 4.340 0.001 0.000 0.268 251 L C -1.542 175.419 176.870 0.151 0.000 0.974 251 L CA -0.869 54.066 54.840 0.157 0.000 0.826 251 L CB 2.020 44.043 42.059 -0.060 0.000 1.291 251 L HN -0.280 nan 8.230 nan 0.000 0.406 252 V N 3.525 123.537 119.914 0.164 0.000 2.513 252 V HA 0.471 4.592 4.120 0.001 0.000 0.299 252 V C -1.035 175.043 176.094 -0.027 0.000 1.035 252 V CA -0.503 61.868 62.300 0.118 0.000 0.889 252 V CB 1.687 33.656 31.823 0.243 0.000 0.988 252 V HN 0.809 nan 8.190 nan 0.000 0.440 253 H N 4.355 123.363 119.070 -0.103 0.000 2.600 253 H HA 0.747 5.304 4.556 0.001 0.000 0.357 253 H C -1.068 174.245 175.328 -0.025 0.000 1.106 253 H CA -0.656 55.299 56.048 -0.155 0.000 1.193 253 H CB 1.610 31.296 29.762 -0.127 0.000 1.594 253 H HN 0.553 nan 8.280 nan 0.000 0.526 254 F N 1.819 121.445 119.950 -0.541 0.000 2.613 254 F HA 0.532 5.060 4.527 0.001 0.000 0.314 254 F C -1.608 174.028 175.800 -0.275 0.000 1.075 254 F CA -1.075 56.758 58.000 -0.278 0.000 0.945 254 F CB 1.598 40.463 39.000 -0.225 0.000 1.310 254 F HN 0.600 nan 8.300 nan 0.000 0.467 255 H N 2.153 121.205 119.070 -0.031 0.000 2.934 255 H HA 0.503 5.060 4.556 0.001 0.000 0.340 255 H C -0.789 174.609 175.328 0.117 0.000 1.008 255 H CA -0.931 55.092 56.048 -0.041 0.000 1.317 255 H CB 1.695 31.501 29.762 0.073 0.000 1.670 255 H HN 0.780 nan 8.280 nan 0.000 0.516 256 L N 3.759 124.827 121.223 -0.259 0.000 2.418 256 L HA 0.391 4.732 4.340 0.001 0.000 0.218 256 L C 0.907 177.597 176.870 -0.300 0.000 1.125 256 L CA 0.737 55.489 54.840 -0.147 0.000 0.835 256 L CB -0.123 41.943 42.059 0.011 0.000 0.953 256 L HN 0.913 nan 8.230 nan 0.000 0.454 257 G N -0.711 107.636 108.800 -0.754 0.000 2.428 257 G HA2 -0.103 3.858 3.960 0.001 0.000 0.681 257 G HA3 -0.103 3.858 3.960 0.001 0.000 0.681 257 G C -0.872 173.939 174.900 -0.148 0.000 1.340 257 G CA -0.479 44.400 45.100 -0.369 0.000 0.915 257 G HN -0.101 nan 8.290 nan 0.000 0.645 258 S N -0.323 115.425 115.700 0.080 0.000 2.585 258 S HA 0.466 4.937 4.470 0.001 0.000 0.273 258 S C 0.821 175.482 174.600 0.101 0.000 1.339 258 S CA 1.532 59.828 58.200 0.160 0.000 1.028 258 S CB 0.842 64.142 63.200 0.167 0.000 0.906 258 S HN 2.184 nan 8.310 nan 0.000 0.528 259 Q N 1.911 121.794 119.800 0.139 0.000 2.459 259 Q HA -0.130 4.211 4.340 0.001 0.000 0.314 259 Q C -1.169 174.901 176.000 0.116 0.000 1.432 259 Q CA 0.657 56.536 55.803 0.128 0.000 0.823 259 Q CB -1.445 27.360 28.738 0.112 0.000 1.124 259 Q HN 0.631 nan 8.270 nan 0.000 0.392 260 M N 0.920 120.613 119.600 0.155 0.000 2.220 260 M HA 0.310 4.791 4.480 0.001 0.000 0.343 260 M C 1.300 177.760 176.300 0.266 0.000 1.470 260 M CA 0.820 56.227 55.300 0.179 0.000 1.161 260 M CB 0.320 33.035 32.600 0.192 0.000 1.737 260 M HN 0.493 nan 8.290 nan 0.000 0.464 261 A N 3.982 126.916 122.820 0.190 0.000 2.072 261 A HA 0.004 4.325 4.320 0.001 0.000 0.216 261 A C 0.918 178.660 177.584 0.264 0.000 1.156 261 A CA 0.744 52.883 52.037 0.170 0.000 0.701 261 A CB -0.046 19.002 19.000 0.080 0.000 0.816 261 A HN 0.722 nan 8.150 nan 0.000 0.458 262 N N -0.123 118.723 118.700 0.244 0.000 2.476 262 N HA 0.294 5.035 4.740 0.001 0.000 0.257 262 N C 0.272 175.869 175.510 0.146 0.000 0.970 262 N CA -0.589 52.578 53.050 0.195 0.000 0.938 262 N CB 0.978 39.528 38.487 0.105 0.000 1.144 262 N HN 0.069 nan 8.380 nan 0.000 0.500 263 I N 3.769 124.414 120.570 0.125 0.000 2.567 263 I HA -0.109 4.062 4.170 0.001 0.000 0.257 263 I C 2.147 178.216 176.117 -0.081 0.000 1.184 263 I CA 1.159 62.359 61.300 -0.166 0.000 1.451 263 I CB -0.040 37.844 38.000 -0.194 0.000 1.089 263 I HN 0.595 nan 8.210 nan 0.000 0.441 264 R N 0.751 121.249 120.500 -0.004 0.000 2.105 264 R HA -0.187 4.154 4.340 0.001 0.000 0.239 264 R C 1.821 178.122 176.300 0.001 0.000 1.135 264 R CA 2.003 58.102 56.100 -0.002 0.000 0.967 264 R CB -0.524 29.786 30.300 0.017 0.000 0.861 264 R HN 0.378 nan 8.270 nan 0.000 0.442 265 D N -0.503 119.908 120.400 0.018 0.000 2.117 265 D HA -0.118 4.523 4.640 0.001 0.000 0.198 265 D C 1.915 178.231 176.300 0.027 0.000 0.982 265 D CA 1.446 55.463 54.000 0.028 0.000 0.828 265 D CB -0.208 40.621 40.800 0.048 0.000 0.967 265 D HN 0.114 nan 8.370 nan 0.000 0.464 266 V N 1.206 121.129 119.914 0.015 0.000 2.287 266 V HA -0.257 3.863 4.120 0.001 0.000 0.248 266 V C 2.602 178.698 176.094 0.002 0.000 1.053 266 V CA 1.968 64.285 62.300 0.028 0.000 1.027 266 V CB -0.474 31.326 31.823 -0.039 0.000 0.646 266 V HN 0.143 nan 8.190 nan 0.000 0.447 267 R N 0.245 120.720 120.500 -0.042 0.000 2.092 267 R HA -0.149 4.192 4.340 0.001 0.000 0.231 267 R C 2.151 178.438 176.300 -0.022 0.000 1.119 267 R CA 1.777 57.852 56.100 -0.042 0.000 0.970 267 R CB -0.321 29.946 30.300 -0.055 0.000 0.864 267 R HN 0.511 nan 8.270 nan 0.000 0.440 268 N N 0.164 118.856 118.700 -0.015 0.000 2.149 268 N HA -0.119 4.622 4.740 0.001 0.000 0.188 268 N C 1.655 177.139 175.510 -0.043 0.000 1.019 268 N CA 1.618 54.659 53.050 -0.014 0.000 0.857 268 N CB -0.618 37.868 38.487 -0.001 0.000 0.997 268 N HN 0.452 nan 8.380 nan 0.000 0.426 269 G N 0.535 109.299 108.800 -0.060 0.000 2.394 269 G HA2 -0.137 3.824 3.960 0.001 0.000 0.214 269 G HA3 -0.137 3.824 3.960 0.001 0.000 0.214 269 G C 1.729 176.391 174.900 -0.396 0.000 1.176 269 G CA 0.614 45.593 45.100 -0.202 0.000 0.786 269 G HN 0.181 nan 8.290 nan 0.000 0.533 270 V N 1.581 121.417 119.914 -0.130 0.000 2.287 270 V HA -0.251 3.869 4.120 0.001 0.000 0.248 270 V C 2.712 178.813 176.094 0.011 0.000 1.053 270 V CA 1.937 64.252 62.300 0.025 0.000 1.027 270 V CB -0.513 31.406 31.823 0.159 0.000 0.646 270 V HN 0.429 nan 8.190 nan 0.000 0.447 271 N N 0.183 118.877 118.700 -0.010 0.000 2.037 271 N HA -0.268 4.473 4.740 0.001 0.000 0.196 271 N C 2.032 177.567 175.510 0.042 0.000 1.034 271 N CA 2.328 55.387 53.050 0.016 0.000 0.861 271 N CB -0.127 38.368 38.487 0.013 0.000 1.039 271 N HN 0.671 nan 8.380 nan 0.000 0.427 272 E N -0.327 119.878 120.200 0.008 0.000 2.106 272 E HA -0.052 4.299 4.350 0.001 0.000 0.192 272 E C 1.694 178.395 176.600 0.169 0.000 0.984 272 E CA 0.958 57.407 56.400 0.081 0.000 0.806 272 E CB 0.120 29.851 29.700 0.052 0.000 0.750 272 E HN 0.314 nan 8.360 nan 0.000 0.458 273 S N 0.260 115.957 115.700 -0.004 0.000 2.414 273 S HA -0.007 4.464 4.470 0.001 0.000 0.227 273 S C 1.978 176.845 174.600 0.445 0.000 1.022 273 S CA 0.641 58.879 58.200 0.063 0.000 0.958 273 S CB 0.095 63.012 63.200 -0.471 0.000 0.797 273 S HN 0.410 nan 8.310 nan 0.000 0.493 274 A N 2.292 125.336 122.820 0.374 0.000 1.933 274 A HA -0.106 4.214 4.320 0.001 0.000 0.218 274 A C 2.144 179.842 177.584 0.190 0.000 1.175 274 A CA 1.148 53.311 52.037 0.209 0.000 0.628 274 A CB -0.390 18.594 19.000 -0.026 0.000 0.814 274 A HN 0.424 nan 8.150 nan 0.000 0.444 275 R N -1.867 118.728 120.500 0.158 0.000 2.075 275 R HA -0.042 4.299 4.340 0.001 0.000 0.232 275 R C 1.843 178.152 176.300 0.015 0.000 1.126 275 R CA 1.415 57.540 56.100 0.041 0.000 0.963 275 R CB -0.494 29.865 30.300 0.098 0.000 0.858 275 R HN 0.508 nan 8.270 nan 0.000 0.435 276 F N 0.094 120.073 119.950 0.048 0.000 2.095 276 F HA -0.275 4.252 4.527 0.001 0.000 0.298 276 F C 2.416 178.258 175.800 0.070 0.000 1.104 276 F CA 1.660 59.694 58.000 0.057 0.000 1.232 276 F CB -0.696 38.362 39.000 0.096 0.000 0.987 276 F HN 0.032 nan 8.300 nan 0.000 0.475 277 Y N -0.113 120.346 120.300 0.265 0.000 2.128 277 Y HA -0.328 4.223 4.550 0.001 0.000 0.284 277 Y C 2.423 178.318 175.900 -0.009 0.000 1.154 277 Y CA 1.633 59.849 58.100 0.193 0.000 1.149 277 Y CB -0.953 37.691 38.460 0.307 0.000 0.976 277 Y HN 0.092 nan 8.280 nan 0.000 0.505 278 C N 0.963 120.141 119.300 -0.203 0.000 2.453 278 C HA -0.134 4.327 4.460 0.001 0.000 0.277 278 C C 2.602 177.301 174.990 -0.485 0.000 1.262 278 C CA 1.077 59.755 59.018 -0.567 0.000 1.718 278 C CB -0.949 26.120 27.740 -1.118 0.000 2.031 278 C HN 0.593 nan 8.230 nan 0.000 0.480 279 E N 1.025 120.993 120.200 -0.387 0.000 2.097 279 E HA -0.189 4.161 4.350 0.001 0.000 0.196 279 E C 2.085 178.615 176.600 -0.117 0.000 1.000 279 E CA 1.159 57.451 56.400 -0.180 0.000 0.804 279 E CB -0.548 29.049 29.700 -0.171 0.000 0.740 279 E HN 0.657 nan 8.360 nan 0.000 0.454 280 L N 0.763 121.926 121.223 -0.101 0.000 2.012 280 L HA -0.212 4.129 4.340 0.001 0.000 0.210 280 L C 2.684 179.488 176.870 -0.110 0.000 1.073 280 L CA 1.273 56.076 54.840 -0.063 0.000 0.748 280 L CB -0.486 41.571 42.059 -0.002 0.000 0.891 280 L HN 0.075 nan 8.230 nan 0.000 0.431 281 R N -0.360 120.007 120.500 -0.222 0.000 2.096 281 R HA -0.168 4.173 4.340 0.001 0.000 0.240 281 R C 2.144 178.384 176.300 -0.099 0.000 1.139 281 R CA 2.061 58.043 56.100 -0.196 0.000 0.952 281 R CB -1.570 28.549 30.300 -0.302 0.000 0.854 281 R HN 0.374 nan 8.270 nan 0.000 0.436 282 T N 2.360 116.867 114.554 -0.080 0.000 2.760 282 T HA -0.109 4.241 4.350 0.001 0.000 0.269 282 T C 1.826 176.518 174.700 -0.015 0.000 1.047 282 T CA 1.219 63.309 62.100 -0.017 0.000 1.139 282 T CB -0.169 68.713 68.868 0.024 0.000 0.855 282 T HN 0.215 nan 8.240 nan 0.000 0.471 283 L N -0.038 121.171 121.223 -0.024 0.000 2.591 283 L HA 0.310 4.650 4.340 0.001 0.000 0.228 283 L C 1.985 178.850 176.870 -0.008 0.000 1.133 283 L CA 0.419 55.253 54.840 -0.011 0.000 0.880 283 L CB -0.221 41.834 42.059 -0.006 0.000 1.033 283 L HN 0.492 nan 8.230 nan 0.000 0.450 284 G N -0.391 108.399 108.800 -0.017 0.000 2.192 284 G HA2 -0.185 3.775 3.960 0.001 0.000 0.193 284 G HA3 -0.185 3.775 3.960 0.001 0.000 0.193 284 G C 0.339 175.234 174.900 -0.009 0.000 0.999 284 G CA -0.210 44.885 45.100 -0.010 0.000 0.659 284 G HN 0.420 nan 8.290 nan 0.000 0.503 285 A N 0.111 122.921 122.820 -0.017 0.000 2.401 285 A HA 0.627 4.948 4.320 0.001 0.000 0.259 285 A C 0.478 178.055 177.584 -0.012 0.000 1.103 285 A CA 0.375 52.411 52.037 -0.002 0.000 0.789 285 A CB 0.399 19.403 19.000 0.006 0.000 1.035 285 A HN 0.540 nan 8.150 nan 0.000 0.491 286 N N 2.546 121.261 118.700 0.024 0.000 3.322 286 N HA 0.171 4.912 4.740 0.001 0.000 0.290 286 N C -0.382 175.178 175.510 0.084 0.000 1.297 286 N CA -0.431 52.640 53.050 0.036 0.000 1.167 286 N CB -0.355 38.158 38.487 0.044 0.000 1.434 286 N HN 0.487 nan 8.380 nan 0.000 0.526 287 I N 0.920 121.536 120.570 0.077 0.000 2.598 287 I HA 0.023 4.194 4.170 0.001 0.000 0.284 287 I C 1.222 177.501 176.117 0.271 0.000 1.140 287 I CA 0.391 61.815 61.300 0.206 0.000 1.420 287 I CB 0.445 38.614 38.000 0.282 0.000 1.387 287 I HN 0.267 nan 8.210 nan 0.000 0.553 288 T N 4.871 119.568 114.554 0.238 0.000 3.056 288 T HA 0.137 4.487 4.350 0.001 0.000 0.241 288 T C 0.100 174.721 174.700 -0.130 0.000 1.006 288 T CA 0.588 62.703 62.100 0.025 0.000 1.115 288 T CB 0.071 68.916 68.868 -0.039 0.000 0.939 288 T HN 0.356 nan 8.240 nan 0.000 0.462 289 Y N 0.358 120.733 120.300 0.125 0.000 2.360 289 Y HA 0.592 5.142 4.550 0.001 0.000 0.337 289 Y C -0.883 175.078 175.900 0.101 0.000 1.039 289 Y CA -1.727 56.390 58.100 0.027 0.000 1.109 289 Y CB 1.166 39.510 38.460 -0.194 0.000 1.201 289 Y HN 0.078 nan 8.280 nan 0.000 0.458 290 F N 3.607 123.574 119.950 0.029 0.000 2.513 290 F HA 0.323 4.851 4.527 0.001 0.000 0.358 290 F C -1.110 174.653 175.800 -0.061 0.000 1.118 290 F CA -0.851 57.132 58.000 -0.029 0.000 1.037 290 F CB 0.658 39.564 39.000 -0.156 0.000 1.276 290 F HN 0.426 nan 8.300 nan 0.000 0.446 291 D N 5.018 125.181 120.400 -0.394 0.000 2.392 291 D HA 0.198 4.839 4.640 0.001 0.000 0.228 291 D C 0.508 176.300 176.300 -0.847 0.000 1.074 291 D CA -0.144 53.605 54.000 -0.419 0.000 0.838 291 D CB 1.823 42.474 40.800 -0.250 0.000 1.067 291 D HN 0.408 nan 8.370 nan 0.000 0.511 292 V N 2.161 121.618 119.914 -0.761 0.000 3.596 292 V HA 0.476 4.597 4.120 0.001 0.000 0.289 292 V C 1.115 176.678 176.094 -0.884 0.000 1.336 292 V CA 0.697 62.234 62.300 -1.270 0.000 1.137 292 V CB -0.746 30.803 31.823 -0.456 0.000 0.966 292 V HN 0.712 nan 8.190 nan 0.000 0.428 293 G N 0.367 108.811 108.800 -0.594 0.000 2.569 293 G HA2 0.023 3.983 3.960 0.001 0.000 0.259 293 G HA3 0.023 3.983 3.960 0.001 0.000 0.259 293 G C 0.392 175.332 174.900 0.066 0.000 1.263 293 G CA 0.007 44.959 45.100 -0.246 0.000 0.928 293 G HN 1.461 nan 8.290 nan 0.000 0.572 294 G N -2.673 106.345 108.800 0.363 0.000 2.543 294 G HA2 0.685 4.646 3.960 0.001 0.000 0.267 294 G HA3 0.685 4.646 3.960 0.001 0.000 0.267 294 G C 1.353 176.430 174.900 0.295 0.000 1.406 294 G CA 1.186 46.480 45.100 0.325 0.000 1.048 294 G HN 2.564 nan 8.290 nan 0.000 0.548 295 G N -2.052 106.900 108.800 0.254 0.000 2.284 295 G HA2 -0.079 3.882 3.960 0.001 0.000 0.201 295 G HA3 -0.079 3.882 3.960 0.001 0.000 0.201 295 G C 0.402 175.396 174.900 0.157 0.000 0.998 295 G CA 0.253 45.466 45.100 0.187 0.000 0.651 295 G HN 1.313 nan 8.290 nan 0.000 0.489 296 L N 2.813 124.062 121.223 0.044 0.000 2.654 296 L HA 0.661 5.002 4.340 0.001 0.000 0.271 296 L C 0.947 177.812 176.870 -0.008 0.000 1.169 296 L CA 0.284 54.998 54.840 -0.210 0.000 0.947 296 L CB -0.219 41.567 42.059 -0.455 0.000 1.232 296 L HN 0.915 nan 8.230 nan 0.000 0.486 297 A N 6.129 128.974 122.820 0.043 0.000 2.313 297 A HA 0.546 4.867 4.320 0.001 0.000 0.261 297 A C -0.067 177.486 177.584 -0.053 0.000 1.090 297 A CA -0.470 51.581 52.037 0.023 0.000 0.807 297 A CB 0.254 19.248 19.000 -0.010 0.000 1.055 297 A HN 0.669 nan 8.150 nan 0.000 0.492 298 I N 0.801 121.335 120.570 -0.060 0.000 2.493 298 I HA 0.197 4.368 4.170 0.001 0.000 0.298 298 I C -0.554 175.387 176.117 -0.293 0.000 0.998 298 I CA -0.357 60.813 61.300 -0.217 0.000 1.137 298 I CB 1.693 39.415 38.000 -0.463 0.000 1.310 298 I HN 0.648 nan 8.210 nan 0.000 0.445 299 D N 5.224 125.496 120.400 -0.213 0.000 2.517 299 D HA 0.082 4.722 4.640 0.001 0.000 0.220 299 D C 0.835 177.049 176.300 -0.143 0.000 1.158 299 D CA -0.021 53.907 54.000 -0.120 0.000 0.992 299 D CB 0.142 40.920 40.800 -0.037 0.000 1.058 299 D HN 0.264 nan 8.370 nan 0.000 0.516 300 Y N 1.035 121.298 120.300 -0.063 0.000 2.224 300 Y HA -0.167 4.384 4.550 0.001 0.000 0.289 300 Y C 1.942 177.746 175.900 -0.159 0.000 1.146 300 Y CA 1.457 59.462 58.100 -0.158 0.000 1.182 300 Y CB 0.011 38.292 38.460 -0.297 0.000 0.983 300 Y HN 0.391 nan 8.280 nan 0.000 0.524 301 D N -2.703 117.727 120.400 0.051 0.000 2.369 301 D HA 0.188 4.828 4.640 0.001 0.000 0.211 301 D C 1.748 178.131 176.300 0.137 0.000 1.077 301 D CA 0.638 54.658 54.000 0.034 0.000 0.842 301 D CB 0.015 40.822 40.800 0.013 0.000 0.947 301 D HN 0.234 nan 8.370 nan 0.000 0.509 302 G N 0.367 109.278 108.800 0.184 0.000 2.184 302 G HA2 -0.350 3.610 3.960 0.001 0.000 0.264 302 G HA3 -0.350 3.610 3.960 0.001 0.000 0.264 302 G C 1.140 176.098 174.900 0.096 0.000 0.975 302 G CA 1.015 46.272 45.100 0.261 0.000 0.642 302 G HN 0.665 nan 8.290 nan 0.000 0.536 303 T N -2.556 112.020 114.554 0.037 0.000 3.081 303 T HA 0.319 4.670 4.350 0.001 0.000 0.250 303 T C 1.189 175.849 174.700 -0.067 0.000 1.100 303 T CA 1.018 63.103 62.100 -0.025 0.000 1.038 303 T CB 0.025 68.891 68.868 -0.004 0.000 0.962 303 T HN 0.861 nan 8.240 nan 0.000 0.516 304 R N 1.323 121.784 120.500 -0.065 0.000 3.405 304 R HA -0.181 4.159 4.340 0.001 0.000 0.258 304 R C -0.309 175.957 176.300 -0.058 0.000 1.030 304 R CA 0.632 56.684 56.100 -0.081 0.000 0.691 304 R CB -1.846 28.392 30.300 -0.103 0.000 1.093 304 R HN 0.805 nan 8.270 nan 0.000 0.448 305 S N -1.630 114.046 115.700 -0.040 0.000 2.766 305 S HA 0.317 4.788 4.470 0.001 0.000 0.307 305 S C 0.397 174.994 174.600 -0.005 0.000 1.121 305 S CA -0.997 57.191 58.200 -0.020 0.000 0.980 305 S CB 1.760 64.950 63.200 -0.017 0.000 1.159 305 S HN 0.325 nan 8.310 nan 0.000 0.546 306 Q N 1.309 121.116 119.800 0.012 0.000 2.294 306 Q HA 0.209 4.550 4.340 0.001 0.000 0.256 306 Q C 0.331 176.342 176.000 0.018 0.000 0.907 306 Q CA -0.317 55.504 55.803 0.029 0.000 0.954 306 Q CB -0.004 28.757 28.738 0.038 0.000 1.102 306 Q HN 0.703 nan 8.270 nan 0.000 0.429 307 S N -1.162 114.541 115.700 0.005 0.000 2.672 307 S HA 0.177 4.648 4.470 0.001 0.000 0.276 307 S C 1.354 175.952 174.600 -0.003 0.000 1.207 307 S CA -0.203 57.995 58.200 -0.004 0.000 1.002 307 S CB 1.618 64.810 63.200 -0.013 0.000 0.998 307 S HN 0.303 nan 8.310 nan 0.000 0.542 308 S N 1.474 117.163 115.700 -0.019 0.000 2.442 308 S HA -0.138 4.333 4.470 0.001 0.000 0.236 308 S C 0.898 175.481 174.600 -0.028 0.000 1.007 308 S CA 1.309 59.493 58.200 -0.026 0.000 0.965 308 S CB -1.035 62.133 63.200 -0.054 0.000 0.773 308 S HN 0.834 nan 8.310 nan 0.000 0.504 309 N N 0.716 119.394 118.700 -0.036 0.000 2.314 309 N HA 0.328 5.068 4.740 0.001 0.000 0.200 309 N C -0.041 175.511 175.510 0.071 0.000 1.135 309 N CA -0.047 52.995 53.050 -0.013 0.000 0.835 309 N CB 0.494 38.931 38.487 -0.083 0.000 0.989 309 N HN 0.284 nan 8.380 nan 0.000 0.478 310 S N -0.274 115.448 115.700 0.036 0.000 2.752 310 S HA 0.731 5.202 4.470 0.001 0.000 0.284 310 S C -1.943 172.632 174.600 -0.043 0.000 1.189 310 S CA -0.747 57.451 58.200 -0.003 0.000 0.835 310 S CB 0.861 64.053 63.200 -0.013 0.000 1.192 310 S HN 0.053 nan 8.310 nan 0.000 0.506 311 M N 2.360 121.889 119.600 -0.118 0.000 2.470 311 M HA 0.470 4.951 4.480 0.001 0.000 0.285 311 M C -0.386 175.802 176.300 -0.186 0.000 1.213 311 M CA -0.847 54.315 55.300 -0.231 0.000 0.901 311 M CB 1.587 33.825 32.600 -0.603 0.000 1.718 311 M HN 0.524 nan 8.290 nan 0.000 0.469 312 N N 0.263 118.933 118.700 -0.050 0.000 2.322 312 N HA 0.104 4.845 4.740 0.001 0.000 0.194 312 N C -0.820 174.751 175.510 0.102 0.000 1.126 312 N CA 0.107 53.183 53.050 0.043 0.000 0.845 312 N CB -0.309 38.241 38.487 0.106 0.000 0.976 312 N HN 0.772 nan 8.380 nan 0.000 0.475 313 Y N -3.084 117.229 120.300 0.021 0.000 2.609 313 Y HA 0.876 5.427 4.550 0.001 0.000 0.342 313 Y C 0.300 176.210 175.900 0.018 0.000 1.058 313 Y CA -1.793 56.322 58.100 0.026 0.000 1.055 313 Y CB 0.783 39.276 38.460 0.055 0.000 1.292 313 Y HN -0.053 nan 8.280 nan 0.000 0.476 314 G N 0.772 109.677 108.800 0.175 0.000 2.521 314 G HA2 0.384 4.344 3.960 0.001 0.000 0.323 314 G HA3 0.384 4.344 3.960 0.001 0.000 0.323 314 G C -0.196 174.818 174.900 0.190 0.000 1.211 314 G CA -0.788 44.364 45.100 0.087 0.000 0.979 314 G HN 0.881 nan 8.290 nan 0.000 0.490 315 L N 0.929 122.203 121.223 0.084 0.000 2.012 315 L HA -0.080 4.261 4.340 0.001 0.000 0.210 315 L C 2.712 179.604 176.870 0.035 0.000 1.073 315 L CA 1.820 56.704 54.840 0.073 0.000 0.748 315 L CB -0.424 41.649 42.059 0.023 0.000 0.891 315 L HN 0.272 nan 8.230 nan 0.000 0.431 316 V N -0.373 119.539 119.914 -0.003 0.000 2.453 316 V HA -0.238 3.883 4.120 0.001 0.000 0.247 316 V C 2.545 178.602 176.094 -0.061 0.000 1.048 316 V CA 1.675 63.934 62.300 -0.068 0.000 1.049 316 V CB -0.591 31.205 31.823 -0.044 0.000 0.672 316 V HN 0.598 nan 8.190 nan 0.000 0.457 317 E N -0.333 119.880 120.200 0.022 0.000 2.085 317 E HA -0.310 4.040 4.350 0.001 0.000 0.194 317 E C 2.166 178.763 176.600 -0.004 0.000 0.994 317 E CA 1.954 58.372 56.400 0.031 0.000 0.801 317 E CB -0.307 29.459 29.700 0.110 0.000 0.743 317 E HN 0.699 nan 8.360 nan 0.000 0.453 318 Y N 0.679 120.929 120.300 -0.082 0.000 2.097 318 Y HA -0.262 4.289 4.550 0.001 0.000 0.282 318 Y C 2.116 177.830 175.900 -0.310 0.000 1.152 318 Y CA 2.086 60.070 58.100 -0.193 0.000 1.136 318 Y CB -0.647 37.791 38.460 -0.036 0.000 0.975 318 Y HN 0.147 nan 8.280 nan 0.000 0.498 319 A N 0.684 123.230 122.820 -0.457 0.000 1.883 319 A HA -0.228 4.093 4.320 0.001 0.000 0.217 319 A C 2.276 179.563 177.584 -0.494 0.000 1.186 319 A CA 2.034 53.516 52.037 -0.925 0.000 0.624 319 A CB -0.729 17.488 19.000 -1.306 0.000 0.822 319 A HN 0.574 nan 8.150 nan 0.000 0.444 320 R N -0.226 120.089 120.500 -0.308 0.000 2.083 320 R HA -0.130 4.210 4.340 0.001 0.000 0.237 320 R C 2.106 178.286 176.300 -0.200 0.000 1.137 320 R CA 1.515 57.497 56.100 -0.197 0.000 0.951 320 R CB -0.496 29.739 30.300 -0.108 0.000 0.851 320 R HN 0.600 nan 8.270 nan 0.000 0.434 321 N N 0.638 119.211 118.700 -0.212 0.000 2.104 321 N HA -0.170 4.571 4.740 0.001 0.000 0.190 321 N C 1.903 177.284 175.510 -0.214 0.000 1.024 321 N CA 1.435 54.365 53.050 -0.199 0.000 0.853 321 N CB -0.098 38.260 38.487 -0.216 0.000 1.008 321 N HN 0.215 nan 8.380 nan 0.000 0.424 322 I N 0.485 120.890 120.570 -0.275 0.000 2.193 322 I HA -0.188 3.982 4.170 0.001 0.000 0.240 322 I C 2.277 178.272 176.117 -0.203 0.000 1.084 322 I CA 0.721 61.919 61.300 -0.171 0.000 1.365 322 I CB -0.242 37.708 38.000 -0.083 0.000 1.064 322 I HN -0.113 nan 8.210 nan 0.000 0.410 323 V N 1.326 121.074 119.914 -0.277 0.000 2.358 323 V HA -0.224 3.897 4.120 0.001 0.000 0.246 323 V C 2.067 177.813 176.094 -0.581 0.000 1.047 323 V CA 1.836 63.846 62.300 -0.483 0.000 1.035 323 V CB -0.826 30.704 31.823 -0.489 0.000 0.658 323 V HN 0.434 nan 8.190 nan 0.000 0.452 324 N N 0.026 118.455 118.700 -0.452 0.000 2.216 324 N HA -0.107 4.634 4.740 0.001 0.000 0.183 324 N C 1.864 177.223 175.510 -0.253 0.000 1.017 324 N CA 1.750 54.539 53.050 -0.436 0.000 0.861 324 N CB -0.637 37.789 38.487 -0.102 0.000 0.986 324 N HN 0.450 nan 8.380 nan 0.000 0.428 325 T N 0.507 114.951 114.554 -0.183 0.000 2.770 325 T HA 0.008 4.359 4.350 0.001 0.000 0.263 325 T C 2.173 176.798 174.700 -0.124 0.000 1.039 325 T CA 0.669 62.708 62.100 -0.102 0.000 1.142 325 T CB -0.347 68.478 68.868 -0.073 0.000 0.868 325 T HN -0.055 nan 8.240 nan 0.000 0.435 326 V N 1.712 121.500 119.914 -0.209 0.000 2.295 326 V HA -0.119 4.002 4.120 0.001 0.000 0.246 326 V C 2.910 178.926 176.094 -0.130 0.000 1.049 326 V CA 2.048 64.183 62.300 -0.275 0.000 1.024 326 V CB -1.476 30.088 31.823 -0.431 0.000 0.648 326 V HN 0.598 nan 8.190 nan 0.000 0.447 327 G N -0.163 108.561 108.800 -0.128 0.000 2.476 327 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 327 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 327 G C 1.243 176.240 174.900 0.162 0.000 1.164 327 G CA 1.262 46.367 45.100 0.008 0.000 0.768 327 G HN 0.513 nan 8.290 nan 0.000 0.560 328 D N -0.060 120.418 120.400 0.130 0.000 2.117 328 D HA -0.060 4.581 4.640 0.001 0.000 0.198 328 D C 2.768 179.145 176.300 0.129 0.000 0.982 328 D CA 0.568 54.667 54.000 0.164 0.000 0.828 328 D CB -0.465 40.410 40.800 0.126 0.000 0.967 328 D HN 0.200 nan 8.370 nan 0.000 0.464 329 V N 0.505 120.480 119.914 0.102 0.000 2.295 329 V HA -0.267 3.854 4.120 0.001 0.000 0.246 329 V C 2.666 178.890 176.094 0.216 0.000 1.049 329 V CA 1.281 63.675 62.300 0.157 0.000 1.024 329 V CB -0.443 31.447 31.823 0.111 0.000 0.648 329 V HN 0.297 nan 8.190 nan 0.000 0.447 330 C N -0.232 119.152 119.300 0.141 0.000 2.413 330 C HA -0.173 4.288 4.460 0.001 0.000 0.276 330 C C 2.742 177.830 174.990 0.164 0.000 1.248 330 C CA 1.048 60.160 59.018 0.157 0.000 1.742 330 C CB -1.034 26.765 27.740 0.098 0.000 2.017 330 C HN 0.543 nan 8.230 nan 0.000 0.481 331 K N 0.563 121.050 120.400 0.144 0.000 2.063 331 K HA -0.165 4.156 4.320 0.001 0.000 0.208 331 K C 1.490 178.153 176.600 0.104 0.000 1.048 331 K CA 1.584 57.940 56.287 0.115 0.000 0.928 331 K CB -0.286 32.284 32.500 0.116 0.000 0.713 331 K HN 0.528 nan 8.250 nan 0.000 0.442 332 D N -0.306 120.169 120.400 0.125 0.000 2.178 332 D HA -0.125 4.516 4.640 0.001 0.000 0.202 332 D C 1.335 177.648 176.300 0.022 0.000 0.974 332 D CA 1.256 55.292 54.000 0.060 0.000 0.841 332 D CB 0.006 40.834 40.800 0.046 0.000 0.953 332 D HN 0.281 nan 8.370 nan 0.000 0.478 333 Y N 0.532 120.848 120.300 0.028 0.000 2.457 333 Y HA 0.073 4.623 4.550 0.001 0.000 0.263 333 Y C 0.368 176.277 175.900 0.015 0.000 1.164 333 Y CA -0.114 57.997 58.100 0.018 0.000 1.274 333 Y CB 0.410 38.885 38.460 0.024 0.000 1.097 333 Y HN -0.256 nan 8.280 nan 0.000 0.523 334 K N 0.611 121.104 120.400 0.155 0.000 3.096 334 K HA -0.206 4.115 4.320 0.001 0.000 0.266 334 K C -0.912 175.745 176.600 0.095 0.000 1.043 334 K CA 0.413 56.757 56.287 0.095 0.000 0.758 334 K CB -1.669 30.864 32.500 0.056 0.000 1.260 334 K HN 0.348 nan 8.250 nan 0.000 0.481 335 Q N 0.267 120.136 119.800 0.117 0.000 2.306 335 Q HA 0.443 4.784 4.340 0.001 0.000 0.265 335 Q C -2.169 173.878 176.000 0.078 0.000 1.022 335 Q CA -1.978 53.876 55.803 0.085 0.000 0.853 335 Q CB 1.693 30.474 28.738 0.072 0.000 1.327 335 Q HN 0.039 nan 8.270 nan 0.000 0.449 336 P HA 0.125 nan 4.420 nan 0.000 0.271 336 P C -0.590 176.760 177.300 0.083 0.000 1.218 336 P CA 0.124 63.247 63.100 0.039 0.000 0.780 336 P CB 0.585 32.300 31.700 0.026 0.000 0.901 337 M N 4.048 123.618 119.600 -0.051 0.000 2.216 337 M HA 0.357 4.838 4.480 0.001 0.000 0.356 337 M C -1.981 174.244 176.300 -0.126 0.000 1.205 337 M CA -1.804 53.406 55.300 -0.149 0.000 1.122 337 M CB 1.026 33.354 32.600 -0.453 0.000 1.571 337 M HN 0.220 nan 8.290 nan 0.000 0.464 338 P HA 0.285 nan 4.420 nan 0.000 0.280 338 P C -0.663 176.653 177.300 0.027 0.000 1.272 338 P CA -0.588 62.476 63.100 -0.061 0.000 0.819 338 P CB 0.701 32.291 31.700 -0.184 0.000 1.122 339 V N 1.600 121.471 119.914 -0.071 0.000 2.599 339 V HA -0.004 4.117 4.120 0.001 0.000 0.300 339 V C 0.881 177.009 176.094 0.058 0.000 1.034 339 V CA 0.491 62.769 62.300 -0.036 0.000 1.115 339 V CB -0.557 31.117 31.823 -0.248 0.000 0.934 339 V HN 0.292 nan 8.190 nan 0.000 0.485 340 I N 6.142 126.756 120.570 0.073 0.000 2.336 340 I HA 0.456 4.627 4.170 0.001 0.000 0.292 340 I C -0.211 175.862 176.117 -0.075 0.000 0.991 340 I CA -0.159 61.184 61.300 0.073 0.000 1.227 340 I CB 1.303 39.322 38.000 0.032 0.000 1.366 340 I HN 0.442 nan 8.210 nan 0.000 0.466 341 I N 5.462 125.977 120.570 -0.092 0.000 2.441 341 I HA 0.353 4.524 4.170 0.001 0.000 0.295 341 I C 0.070 176.094 176.117 -0.154 0.000 0.994 341 I CA -0.307 60.848 61.300 -0.241 0.000 1.144 341 I CB 2.079 39.968 38.000 -0.185 0.000 1.314 341 I HN 0.579 nan 8.210 nan 0.000 0.445 342 S N 3.667 119.303 115.700 -0.106 0.000 2.566 342 S HA 0.491 4.962 4.470 0.001 0.000 0.298 342 S C -0.607 174.019 174.600 0.043 0.000 1.083 342 S CA -0.805 57.426 58.200 0.052 0.000 0.978 342 S CB 1.849 65.236 63.200 0.312 0.000 1.073 342 S HN 0.620 nan 8.310 nan 0.000 0.491 343 E N 1.707 121.936 120.200 0.048 0.000 2.490 343 E HA 0.282 4.633 4.350 0.001 0.000 0.232 343 E C -0.851 175.804 176.600 0.092 0.000 1.091 343 E CA -0.333 56.089 56.400 0.036 0.000 1.050 343 E CB 0.774 30.459 29.700 -0.025 0.000 1.342 343 E HN 0.533 nan 8.360 nan 0.000 0.454 344 S N 0.990 116.783 115.700 0.155 0.000 3.334 344 S HA 0.132 4.603 4.470 0.001 0.000 0.188 344 S C 1.283 175.995 174.600 0.186 0.000 1.404 344 S CA -0.514 57.794 58.200 0.181 0.000 1.040 344 S CB 0.835 64.171 63.200 0.226 0.000 1.352 344 S HN 0.639 nan 8.310 nan 0.000 0.501 345 G N 2.231 111.113 108.800 0.137 0.000 2.404 345 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 345 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 345 G C 1.434 176.448 174.900 0.190 0.000 1.174 345 G CA 0.253 45.444 45.100 0.151 0.000 0.780 345 G HN 0.517 nan 8.290 nan 0.000 0.537 346 R N 0.383 120.977 120.500 0.157 0.000 2.091 346 R HA -0.088 4.252 4.340 0.001 0.000 0.238 346 R C 2.661 179.081 176.300 0.200 0.000 1.136 346 R CA 1.822 58.038 56.100 0.194 0.000 0.959 346 R CB -0.460 30.011 30.300 0.285 0.000 0.856 346 R HN 0.381 nan 8.270 nan 0.000 0.437 347 S N 0.310 116.115 115.700 0.176 0.000 2.383 347 S HA -0.044 4.427 4.470 0.001 0.000 0.227 347 S C 2.015 176.731 174.600 0.193 0.000 1.026 347 S CA 0.790 59.088 58.200 0.163 0.000 0.981 347 S CB -0.117 63.149 63.200 0.111 0.000 0.818 347 S HN 0.378 nan 8.310 nan 0.000 0.472 348 L N 0.916 122.250 121.223 0.185 0.000 2.083 348 L HA -0.061 4.280 4.340 0.001 0.000 0.209 348 L C 2.710 179.657 176.870 0.128 0.000 1.083 348 L CA 1.741 56.664 54.840 0.139 0.000 0.752 348 L CB -0.674 41.460 42.059 0.124 0.000 0.899 348 L HN 0.569 nan 8.230 nan 0.000 0.433 349 T N -4.985 109.689 114.554 0.200 0.000 2.990 349 T HA 0.238 4.589 4.350 0.001 0.000 0.249 349 T C 1.870 176.808 174.700 0.397 0.000 1.039 349 T CA 0.402 62.663 62.100 0.269 0.000 1.036 349 T CB 0.188 69.197 68.868 0.236 0.000 0.994 349 T HN 0.163 nan 8.240 nan 0.000 0.489 350 A N 2.038 125.037 122.820 0.298 0.000 1.892 350 A HA -0.182 4.139 4.320 0.001 0.000 0.218 350 A C 2.073 179.784 177.584 0.213 0.000 1.188 350 A CA 2.043 54.225 52.037 0.243 0.000 0.631 350 A CB -1.204 17.880 19.000 0.139 0.000 0.822 350 A HN 0.681 nan 8.150 nan 0.000 0.447 351 H N -1.134 118.097 119.070 0.268 0.000 2.495 351 H HA -0.065 4.492 4.556 0.001 0.000 0.287 351 H C 1.894 177.416 175.328 0.323 0.000 1.033 351 H CA 1.291 57.544 56.048 0.341 0.000 1.307 351 H CB -0.150 29.810 29.762 0.329 0.000 1.401 351 H HN 0.875 nan 8.280 nan 0.000 0.555 352 H N -0.575 118.648 119.070 0.254 0.000 2.546 352 H HA 0.279 4.836 4.556 0.001 0.000 0.277 352 H C 0.174 175.693 175.328 0.318 0.000 1.004 352 H CA 0.694 56.871 56.048 0.216 0.000 1.231 352 H CB 0.100 29.898 29.762 0.059 0.000 1.382 352 H HN 0.266 nan 8.280 nan 0.000 0.580 353 A N 1.009 123.629 122.820 -0.332 0.000 2.374 353 A HA 0.624 4.945 4.320 0.001 0.000 0.317 353 A C -1.064 176.477 177.584 -0.071 0.000 1.094 353 A CA -0.579 51.278 52.037 -0.299 0.000 0.765 353 A CB 2.364 21.057 19.000 -0.512 0.000 1.268 353 A HN 0.128 nan 8.150 nan 0.000 0.438 354 V N 1.866 121.727 119.914 -0.089 0.000 2.808 354 V HA 0.470 4.591 4.120 0.001 0.000 0.308 354 V C -1.069 174.909 176.094 -0.192 0.000 1.099 354 V CA -0.420 61.753 62.300 -0.212 0.000 0.920 354 V CB 1.689 33.375 31.823 -0.229 0.000 1.014 354 V HN 0.897 nan 8.190 nan 0.000 0.425 355 L N 5.834 126.936 121.223 -0.202 0.000 2.296 355 L HA 0.724 5.064 4.340 0.001 0.000 0.286 355 L C -0.822 176.010 176.870 -0.064 0.000 1.023 355 L CA 0.231 54.996 54.840 -0.126 0.000 0.812 355 L CB 1.049 43.003 42.059 -0.175 0.000 1.223 355 L HN 0.583 nan 8.230 nan 0.000 0.421 356 I N 4.411 124.946 120.570 -0.058 0.000 2.436 356 I HA 0.555 4.725 4.170 0.001 0.000 0.289 356 I C -0.101 176.013 176.117 -0.005 0.000 1.010 356 I CA -0.143 61.138 61.300 -0.032 0.000 1.098 356 I CB 1.901 39.886 38.000 -0.025 0.000 1.266 356 I HN 0.651 nan 8.210 nan 0.000 0.434 357 S N 4.219 119.931 115.700 0.019 0.000 2.794 357 S HA 0.551 5.021 4.470 0.001 0.000 0.299 357 S C -1.328 173.323 174.600 0.085 0.000 1.179 357 S CA -0.847 57.372 58.200 0.032 0.000 0.838 357 S CB 1.736 64.925 63.200 -0.018 0.000 1.206 357 S HN 0.803 nan 8.310 nan 0.000 0.523 358 N N -0.134 118.635 118.700 0.115 0.000 2.430 358 N HA 0.582 5.322 4.740 0.001 0.000 0.298 358 N C -1.235 174.379 175.510 0.173 0.000 1.130 358 N CA -0.885 52.267 53.050 0.170 0.000 0.894 358 N CB 1.323 39.915 38.487 0.176 0.000 1.209 358 N HN 0.234 nan 8.380 nan 0.000 0.503 359 V N 2.140 122.175 119.914 0.201 0.000 2.389 359 V HA 0.084 4.205 4.120 0.001 0.000 0.264 359 V C 1.256 177.423 176.094 0.122 0.000 1.049 359 V CA -0.454 61.874 62.300 0.048 0.000 0.932 359 V CB -0.052 31.611 31.823 -0.267 0.000 1.011 359 V HN 0.768 nan 8.190 nan 0.000 0.475 360 I N 2.009 122.618 120.570 0.065 0.000 3.783 360 I HA 0.636 4.807 4.170 0.001 0.000 0.310 360 I C 0.851 176.965 176.117 -0.005 0.000 1.274 360 I CA 0.411 61.786 61.300 0.125 0.000 1.294 360 I CB 0.328 38.398 38.000 0.117 0.000 1.051 360 I HN 0.593 nan 8.210 nan 0.000 0.435 361 G N 0.663 109.288 108.800 -0.292 0.000 2.600 361 G HA2 0.581 4.542 3.960 0.001 0.000 0.293 361 G HA3 0.581 4.542 3.960 0.001 0.000 0.293 361 G C -1.174 173.304 174.900 -0.702 0.000 1.408 361 G CA 0.053 44.767 45.100 -0.644 0.000 0.782 361 G HN 0.222 nan 8.290 nan 0.000 0.482 362 T N -2.001 112.124 114.554 -0.715 0.000 2.896 362 T HA 0.743 5.094 4.350 0.001 0.000 0.297 362 T C -1.537 173.155 174.700 -0.014 0.000 1.108 362 T CA -0.815 61.077 62.100 -0.347 0.000 1.004 362 T CB 2.832 71.341 68.868 -0.598 0.000 1.159 362 T HN 0.358 nan 8.240 nan 0.000 0.499 363 E N 0.858 121.147 120.200 0.148 0.000 2.165 363 E HA 0.646 4.996 4.350 0.001 0.000 0.266 363 E C -1.055 175.621 176.600 0.127 0.000 0.889 363 E CA -0.442 56.046 56.400 0.147 0.000 0.756 363 E CB 2.026 31.853 29.700 0.211 0.000 1.131 363 E HN 0.776 nan 8.360 nan 0.000 0.411 364 T N 2.574 117.199 114.554 0.119 0.000 2.912 364 T HA 0.223 4.573 4.350 0.001 0.000 0.299 364 T C -1.285 173.503 174.700 0.146 0.000 1.052 364 T CA -0.555 61.628 62.100 0.139 0.000 0.996 364 T CB 0.651 69.599 68.868 0.133 0.000 1.070 364 T HN 0.306 nan 8.240 nan 0.000 0.465 365 Y N 3.560 123.897 120.300 0.061 0.000 2.393 365 Y HA 0.471 5.022 4.550 0.001 0.000 0.338 365 Y C 0.207 176.097 175.900 -0.017 0.000 1.029 365 Y CA -0.526 57.589 58.100 0.025 0.000 1.239 365 Y CB 0.447 38.933 38.460 0.044 0.000 1.170 365 Y HN 0.408 nan 8.280 nan 0.000 0.515 366 K N 9.421 129.359 120.400 -0.769 0.000 2.281 366 K HA 0.375 4.696 4.320 0.001 0.000 0.272 366 K C -2.645 173.268 176.600 -1.146 0.000 1.048 366 K CA -2.420 53.431 56.287 -0.727 0.000 0.898 366 K CB 0.695 33.003 32.500 -0.320 0.000 1.128 366 K HN 0.444 nan 8.250 nan 0.000 0.460 367 P HA -0.020 nan 4.420 nan 0.000 0.261 367 P C -0.796 176.236 177.300 -0.448 0.000 1.183 367 P CA 0.202 62.791 63.100 -0.853 0.000 0.761 367 P CB 1.068 32.226 31.700 -0.903 0.000 0.785 368 E N 1.232 121.247 120.200 -0.308 0.000 2.378 368 E HA 0.440 4.790 4.350 0.001 0.000 0.265 368 E C -0.768 175.727 176.600 -0.174 0.000 0.932 368 E CA -0.935 55.346 56.400 -0.198 0.000 0.795 368 E CB 1.454 31.055 29.700 -0.165 0.000 1.296 368 E HN 0.177 nan 8.360 nan 0.000 0.438 369 T N 0.458 114.950 114.554 -0.104 0.000 2.918 369 T HA 0.310 4.660 4.350 0.001 0.000 0.302 369 T C -0.524 174.109 174.700 -0.112 0.000 1.045 369 T CA -0.353 61.706 62.100 -0.069 0.000 1.114 369 T CB 0.247 69.129 68.868 0.023 0.000 0.965 369 T HN 0.182 nan 8.240 nan 0.000 0.540 370 V N 6.118 125.953 119.914 -0.132 0.000 2.406 370 V HA 0.271 4.391 4.120 0.001 0.000 0.272 370 V C 1.001 177.210 176.094 0.191 0.000 1.043 370 V CA -0.805 61.419 62.300 -0.126 0.000 0.915 370 V CB 0.839 32.434 31.823 -0.380 0.000 0.988 370 V HN 1.120 nan 8.190 nan 0.000 0.466 371 T N 1.872 116.553 114.554 0.211 0.000 2.918 371 T HA 0.311 4.661 4.350 0.001 0.000 0.302 371 T C -0.030 174.706 174.700 0.061 0.000 1.045 371 T CA -0.571 61.646 62.100 0.194 0.000 1.114 371 T CB 1.039 70.016 68.868 0.181 0.000 0.965 371 T HN 0.755 nan 8.240 nan 0.000 0.540 372 E N 2.497 122.490 120.200 -0.345 0.000 2.373 372 E HA 0.245 4.596 4.350 0.001 0.000 0.267 372 E C -2.110 173.947 176.600 -0.904 0.000 1.032 372 E CA -1.814 53.986 56.400 -0.999 0.000 0.889 372 E CB 0.282 29.557 29.700 -0.709 0.000 0.984 372 E HN 0.420 nan 8.360 nan 0.000 0.425 373 P HA 0.049 nan 4.420 nan 0.000 0.274 373 P C -1.019 175.617 177.300 -1.105 0.000 1.256 373 P CA 0.048 62.208 63.100 -1.567 0.000 0.795 373 P CB 0.515 31.482 31.700 -1.222 0.000 1.038 374 E N -0.001 119.476 120.200 -1.205 0.000 2.250 374 E HA 0.097 4.448 4.350 0.001 0.000 0.265 374 E C 0.726 177.136 176.600 -0.317 0.000 1.033 374 E CA -0.449 55.625 56.400 -0.543 0.000 0.888 374 E CB 0.633 30.126 29.700 -0.346 0.000 1.151 374 E HN 0.429 nan 8.360 nan 0.000 0.412 375 E N 1.424 121.521 120.200 -0.171 0.000 2.338 375 E HA -0.201 4.149 4.350 0.001 0.000 0.197 375 E C 1.148 177.730 176.600 -0.030 0.000 1.007 375 E CA 1.571 57.916 56.400 -0.092 0.000 0.849 375 E CB 0.026 29.687 29.700 -0.064 0.000 0.774 375 E HN 0.575 nan 8.360 nan 0.000 0.506 376 D N -0.240 120.167 120.400 0.011 0.000 2.349 376 D HA -0.120 4.520 4.640 0.001 0.000 0.224 376 D C 0.032 176.422 176.300 0.150 0.000 1.029 376 D CA -0.239 53.809 54.000 0.081 0.000 0.879 376 D CB -0.372 40.486 40.800 0.098 0.000 0.906 376 D HN 0.219 nan 8.370 nan 0.000 0.528 377 F N 2.290 122.126 119.950 -0.190 0.000 2.518 377 F HA 0.161 4.688 4.527 0.001 0.000 0.359 377 F C -1.294 174.327 175.800 -0.300 0.000 1.118 377 F CA -1.894 55.895 58.000 -0.351 0.000 1.287 377 F CB 0.595 39.326 39.000 -0.448 0.000 1.132 377 F HN -0.096 nan 8.300 nan 0.000 0.587 378 P HA -0.001 nan 4.420 nan 0.000 0.274 378 P C 0.815 178.057 177.300 -0.096 0.000 1.256 378 P CA -0.280 62.709 63.100 -0.185 0.000 0.795 378 P CB 1.107 32.658 31.700 -0.248 0.000 1.038 379 L N 0.513 121.710 121.223 -0.044 0.000 2.042 379 L HA -0.195 4.146 4.340 0.001 0.000 0.210 379 L C 2.376 179.258 176.870 0.020 0.000 1.076 379 L CA 1.486 56.327 54.840 0.001 0.000 0.749 379 L CB -0.577 41.485 42.059 0.005 0.000 0.893 379 L HN 0.290 nan 8.230 nan 0.000 0.432 380 L N -0.370 120.852 121.223 -0.002 0.000 2.046 380 L HA -0.232 4.109 4.340 0.001 0.000 0.208 380 L C 2.220 179.131 176.870 0.067 0.000 1.077 380 L CA 1.684 56.538 54.840 0.023 0.000 0.747 380 L CB -0.396 41.663 42.059 -0.000 0.000 0.896 380 L HN 0.120 nan 8.230 nan 0.000 0.432 381 L N -0.021 121.212 121.223 0.016 0.000 2.093 381 L HA -0.154 4.187 4.340 0.001 0.000 0.208 381 L C 2.364 179.362 176.870 0.214 0.000 1.085 381 L CA 1.360 56.257 54.840 0.095 0.000 0.755 381 L CB -1.103 40.809 42.059 -0.245 0.000 0.904 381 L HN 0.365 nan 8.230 nan 0.000 0.435 382 N N -0.218 118.570 118.700 0.145 0.000 2.166 382 N HA -0.164 4.577 4.740 0.001 0.000 0.186 382 N C 1.512 177.202 175.510 0.301 0.000 1.019 382 N CA 1.092 54.275 53.050 0.222 0.000 0.856 382 N CB -0.352 38.214 38.487 0.132 0.000 0.993 382 N HN 0.393 nan 8.380 nan 0.000 0.426 383 N N 1.250 120.075 118.700 0.208 0.000 2.120 383 N HA -0.064 4.676 4.740 0.001 0.000 0.188 383 N C 1.849 177.493 175.510 0.223 0.000 1.024 383 N CA 0.890 54.044 53.050 0.174 0.000 0.852 383 N CB -0.286 38.269 38.487 0.113 0.000 1.003 383 N HN 0.355 nan 8.380 nan 0.000 0.424 384 M N -0.714 119.065 119.600 0.299 0.000 2.117 384 M HA -0.149 4.332 4.480 0.001 0.000 0.262 384 M C 2.204 178.781 176.300 0.462 0.000 1.065 384 M CA 1.210 56.711 55.300 0.335 0.000 1.114 384 M CB -0.382 32.443 32.600 0.375 0.000 1.361 384 M HN 0.328 nan 8.290 nan 0.000 0.408 385 W N 2.133 123.705 121.300 0.454 0.000 2.338 385 W HA -0.226 4.434 4.660 0.001 0.000 0.304 385 W C 1.975 178.681 176.519 0.311 0.000 1.212 385 W CA 1.566 59.183 57.345 0.454 0.000 1.264 385 W CB -0.311 29.380 29.460 0.385 0.000 1.142 385 W HN 0.183 nan 8.180 nan 0.000 0.512 386 R N 0.224 120.796 120.500 0.120 0.000 2.092 386 R HA -0.108 4.233 4.340 0.001 0.000 0.231 386 R C 2.507 178.774 176.300 -0.055 0.000 1.119 386 R CA 1.836 57.899 56.100 -0.062 0.000 0.970 386 R CB -0.592 29.735 30.300 0.046 0.000 0.864 386 R HN 0.063 nan 8.270 nan 0.000 0.440 387 S N 0.489 116.217 115.700 0.046 0.000 2.368 387 S HA -0.177 4.294 4.470 0.001 0.000 0.225 387 S C 1.378 175.995 174.600 0.029 0.000 1.030 387 S CA 1.008 59.230 58.200 0.038 0.000 0.999 387 S CB -0.349 62.898 63.200 0.078 0.000 0.844 387 S HN 0.546 nan 8.310 nan 0.000 0.459 388 W N 2.385 123.619 121.300 -0.110 0.000 2.355 388 W HA -0.072 4.588 4.660 0.001 0.000 0.309 388 W C 1.550 177.949 176.519 -0.199 0.000 1.206 388 W CA 0.870 58.129 57.345 -0.142 0.000 1.284 388 W CB -0.437 28.939 29.460 -0.139 0.000 1.145 388 W HN 0.247 nan 8.180 nan 0.000 0.502 389 L N 1.079 121.948 121.223 -0.589 0.000 2.046 389 L HA -0.293 4.048 4.340 0.001 0.000 0.208 389 L C 2.362 178.968 176.870 -0.440 0.000 1.077 389 L CA 1.555 55.996 54.840 -0.665 0.000 0.747 389 L CB -0.996 40.678 42.059 -0.642 0.000 0.896 389 L HN 0.002 nan 8.230 nan 0.000 0.432 390 N N 0.016 118.538 118.700 -0.297 0.000 2.106 390 N HA -0.185 4.556 4.740 0.001 0.000 0.188 390 N C 1.712 177.093 175.510 -0.215 0.000 1.029 390 N CA 1.066 53.993 53.050 -0.204 0.000 0.848 390 N CB -0.404 38.011 38.487 -0.121 0.000 1.007 390 N HN 0.145 nan 8.380 nan 0.000 0.423 391 L N 0.524 121.611 121.223 -0.226 0.000 2.046 391 L HA -0.132 4.209 4.340 0.001 0.000 0.208 391 L C 2.184 178.892 176.870 -0.271 0.000 1.077 391 L CA 1.833 56.561 54.840 -0.187 0.000 0.747 391 L CB -0.837 41.166 42.059 -0.094 0.000 0.896 391 L HN 0.207 nan 8.230 nan 0.000 0.432 392 H N -0.314 118.341 119.070 -0.691 0.000 2.353 392 H HA -0.067 4.490 4.556 0.001 0.000 0.300 392 H C 1.823 176.914 175.328 -0.396 0.000 1.090 392 H CA 1.941 57.548 56.048 -0.735 0.000 1.327 392 H CB 0.010 28.991 29.762 -1.301 0.000 1.383 392 H HN 0.392 nan 8.280 nan 0.000 0.508 393 N N -0.548 117.942 118.700 -0.349 0.000 2.463 393 N HA 0.037 4.777 4.740 0.001 0.000 0.181 393 N C 1.160 176.549 175.510 -0.202 0.000 1.078 393 N CA 0.994 53.880 53.050 -0.273 0.000 0.902 393 N CB 0.182 38.548 38.487 -0.203 0.000 0.970 393 N HN 0.564 nan 8.380 nan 0.000 0.451 394 G N -0.568 108.124 108.800 -0.181 0.000 2.143 394 G HA2 -0.276 3.684 3.960 0.001 0.000 0.249 394 G HA3 -0.276 3.684 3.960 0.001 0.000 0.249 394 G C 0.828 175.671 174.900 -0.095 0.000 0.981 394 G CA 0.795 45.822 45.100 -0.121 0.000 0.665 394 G HN 0.339 nan 8.290 nan 0.000 0.528 395 T N -0.061 114.428 114.554 -0.108 0.000 3.129 395 T HA 0.210 4.561 4.350 0.001 0.000 0.251 395 T C 0.667 175.326 174.700 -0.069 0.000 1.117 395 T CA 0.691 62.740 62.100 -0.086 0.000 1.034 395 T CB -0.021 68.787 68.868 -0.100 0.000 0.968 395 T HN 0.526 nan 8.240 nan 0.000 0.526 396 D N 0.154 120.514 120.400 -0.066 0.000 2.264 396 D HA 0.503 5.144 4.640 0.001 0.000 0.250 396 D C 1.059 177.343 176.300 -0.028 0.000 1.113 396 D CA -0.160 53.812 54.000 -0.046 0.000 0.871 396 D CB 1.086 41.860 40.800 -0.043 0.000 1.167 396 D HN 0.079 nan 8.370 nan 0.000 0.447 397 A N 4.061 126.869 122.820 -0.021 0.000 1.930 397 A HA -0.078 4.242 4.320 0.001 0.000 0.217 397 A C 0.952 178.532 177.584 -0.005 0.000 1.175 397 A CA 0.969 52.999 52.037 -0.012 0.000 0.627 397 A CB -0.142 18.852 19.000 -0.010 0.000 0.815 397 A HN 0.588 nan 8.150 nan 0.000 0.443 398 R N -0.020 120.479 120.500 -0.001 0.000 2.594 398 R HA 0.515 4.855 4.340 0.001 0.000 0.272 398 R C 0.337 176.646 176.300 0.016 0.000 1.074 398 R CA 0.332 56.438 56.100 0.009 0.000 1.105 398 R CB 0.301 30.610 30.300 0.016 0.000 1.008 398 R HN 0.327 nan 8.270 nan 0.000 0.472 399 A N 2.923 125.756 122.820 0.022 0.000 2.445 399 A HA 0.105 4.425 4.320 0.001 0.000 0.242 399 A C 1.330 178.947 177.584 0.055 0.000 1.075 399 A CA -0.410 51.650 52.037 0.038 0.000 0.777 399 A CB 0.004 19.024 19.000 0.034 0.000 1.013 399 A HN 0.860 nan 8.150 nan 0.000 0.493 400 L N 1.647 122.906 121.223 0.060 0.000 2.010 400 L HA -0.301 4.040 4.340 0.001 0.000 0.219 400 L C 2.195 179.120 176.870 0.091 0.000 1.077 400 L CA 1.889 56.756 54.840 0.046 0.000 0.773 400 L CB -0.707 41.330 42.059 -0.037 0.000 0.892 400 L HN 0.765 nan 8.230 nan 0.000 0.436 401 I N -0.696 119.940 120.570 0.111 0.000 2.454 401 I HA -0.261 3.910 4.170 0.001 0.000 0.254 401 I C 2.566 178.795 176.117 0.186 0.000 1.156 401 I CA 1.212 62.608 61.300 0.158 0.000 1.433 401 I CB -0.387 37.702 38.000 0.148 0.000 1.082 401 I HN 0.424 nan 8.210 nan 0.000 0.432 402 E N 1.809 122.079 120.200 0.118 0.000 2.047 402 E HA -0.189 4.162 4.350 0.001 0.000 0.191 402 E C 2.372 179.031 176.600 0.098 0.000 0.987 402 E CA 1.091 57.545 56.400 0.090 0.000 0.799 402 E CB 0.039 29.770 29.700 0.051 0.000 0.752 402 E HN 0.399 nan 8.360 nan 0.000 0.449 403 I N 0.570 121.200 120.570 0.100 0.000 2.113 403 I HA -0.338 3.833 4.170 0.001 0.000 0.242 403 I C 2.443 178.652 176.117 0.153 0.000 1.064 403 I CA 1.607 62.968 61.300 0.102 0.000 1.320 403 I CB -0.625 37.430 38.000 0.091 0.000 1.028 403 I HN 0.276 nan 8.210 nan 0.000 0.406 404 Y N 2.618 122.972 120.300 0.091 0.000 2.040 404 Y HA -0.373 4.178 4.550 0.001 0.000 0.275 404 Y C 2.503 178.484 175.900 0.136 0.000 1.171 404 Y CA 2.082 60.270 58.100 0.146 0.000 1.123 404 Y CB -0.650 37.874 38.460 0.106 0.000 0.963 404 Y HN 0.219 nan 8.280 nan 0.000 0.493 405 N N 0.570 119.301 118.700 0.052 0.000 2.094 405 N HA -0.189 4.551 4.740 0.001 0.000 0.191 405 N C 1.436 176.909 175.510 -0.062 0.000 1.023 405 N CA 1.773 54.791 53.050 -0.054 0.000 0.857 405 N CB -0.667 37.846 38.487 0.043 0.000 1.013 405 N HN 0.474 nan 8.380 nan 0.000 0.426 406 D N -0.361 120.034 120.400 -0.009 0.000 2.144 406 D HA -0.041 4.600 4.640 0.001 0.000 0.200 406 D C 1.746 178.033 176.300 -0.022 0.000 0.978 406 D CA 1.036 55.034 54.000 -0.003 0.000 0.833 406 D CB -0.427 40.385 40.800 0.019 0.000 0.961 406 D HN 0.247 nan 8.370 nan 0.000 0.470 407 T N 0.720 115.252 114.554 -0.037 0.000 2.737 407 T HA -0.116 4.235 4.350 0.001 0.000 0.265 407 T C 1.918 176.580 174.700 -0.063 0.000 1.038 407 T CA 0.841 62.896 62.100 -0.076 0.000 1.144 407 T CB -0.161 68.618 68.868 -0.148 0.000 0.866 407 T HN 0.205 nan 8.240 nan 0.000 0.434 408 Q N 0.806 120.565 119.800 -0.068 0.000 2.077 408 Q HA -0.113 4.228 4.340 0.001 0.000 0.206 408 Q C 2.706 178.683 176.000 -0.039 0.000 0.989 408 Q CA 1.513 57.282 55.803 -0.058 0.000 0.853 408 Q CB -0.303 28.300 28.738 -0.224 0.000 0.907 408 Q HN 0.404 nan 8.270 nan 0.000 0.418 409 S N 0.804 116.478 115.700 -0.044 0.000 2.368 409 S HA -0.123 4.348 4.470 0.001 0.000 0.224 409 S C 1.401 175.993 174.600 -0.013 0.000 1.029 409 S CA 1.175 59.364 58.200 -0.018 0.000 0.988 409 S CB -0.191 63.002 63.200 -0.011 0.000 0.838 409 S HN 0.323 nan 8.310 nan 0.000 0.462 410 D N 1.207 121.596 120.400 -0.018 0.000 2.123 410 D HA -0.080 4.561 4.640 0.001 0.000 0.196 410 D C 1.812 178.085 176.300 -0.044 0.000 0.992 410 D CA 0.643 54.634 54.000 -0.015 0.000 0.833 410 D CB -0.358 40.441 40.800 -0.002 0.000 0.954 410 D HN 0.201 nan 8.370 nan 0.000 0.455 411 L N 0.600 121.782 121.223 -0.068 0.000 2.072 411 L HA 0.057 4.398 4.340 0.001 0.000 0.205 411 L C 2.115 178.894 176.870 -0.153 0.000 1.079 411 L CA 1.381 56.133 54.840 -0.147 0.000 0.752 411 L CB -0.790 41.199 42.059 -0.118 0.000 0.906 411 L HN -0.031 nan 8.230 nan 0.000 0.436 412 A N -0.763 122.042 122.820 -0.025 0.000 1.908 412 A HA -0.298 4.022 4.320 0.001 0.000 0.218 412 A C 2.333 179.944 177.584 0.044 0.000 1.181 412 A CA 2.011 54.077 52.037 0.049 0.000 0.627 412 A CB -0.707 18.322 19.000 0.049 0.000 0.818 412 A HN 0.609 nan 8.150 nan 0.000 0.445 413 E N -0.371 119.837 120.200 0.012 0.000 2.107 413 E HA -0.098 4.253 4.350 0.001 0.000 0.191 413 E C 1.822 178.437 176.600 0.024 0.000 0.982 413 E CA 1.111 57.526 56.400 0.024 0.000 0.809 413 E CB -0.116 29.594 29.700 0.016 0.000 0.756 413 E HN 0.294 nan 8.360 nan 0.000 0.459 414 V N 0.872 120.768 119.914 -0.029 0.000 2.332 414 V HA -0.301 3.820 4.120 0.001 0.000 0.248 414 V C 1.906 178.032 176.094 0.052 0.000 1.055 414 V CA 2.425 64.706 62.300 -0.032 0.000 1.038 414 V CB -0.720 31.032 31.823 -0.118 0.000 0.651 414 V HN 0.433 nan 8.190 nan 0.000 0.450 415 H N -0.753 118.365 119.070 0.080 0.000 2.357 415 H HA -0.121 4.436 4.556 0.001 0.000 0.301 415 H C 2.556 177.965 175.328 0.134 0.000 1.082 415 H CA 1.342 57.451 56.048 0.102 0.000 1.342 415 H CB -0.015 29.784 29.762 0.061 0.000 1.389 415 H HN 0.352 nan 8.280 nan 0.000 0.511 416 S N 0.580 116.405 115.700 0.209 0.000 2.370 416 S HA -0.221 4.250 4.470 0.001 0.000 0.226 416 S C 2.005 176.676 174.600 0.118 0.000 1.033 416 S CA 1.348 59.629 58.200 0.135 0.000 1.011 416 S CB -0.183 63.070 63.200 0.088 0.000 0.852 416 S HN 0.490 nan 8.310 nan 0.000 0.457 417 Q N -0.620 119.251 119.800 0.119 0.000 2.119 417 Q HA -0.055 4.286 4.340 0.001 0.000 0.201 417 Q C 1.936 178.008 176.000 0.120 0.000 0.972 417 Q CA 1.141 57.000 55.803 0.093 0.000 0.847 417 Q CB -0.265 28.517 28.738 0.073 0.000 0.903 417 Q HN 0.589 nan 8.270 nan 0.000 0.433 418 F N 1.418 121.407 119.950 0.064 0.000 2.075 418 F HA -0.177 4.351 4.527 0.001 0.000 0.297 418 F C 2.144 177.975 175.800 0.051 0.000 1.113 418 F CA 1.440 59.480 58.000 0.067 0.000 1.218 418 F CB -0.323 38.738 39.000 0.101 0.000 0.984 418 F HN -0.005 nan 8.300 nan 0.000 0.472 419 A N -0.802 122.117 122.820 0.166 0.000 2.186 419 A HA -0.174 4.147 4.320 0.001 0.000 0.219 419 A C 1.812 179.356 177.584 -0.066 0.000 1.159 419 A CA 2.023 54.084 52.037 0.040 0.000 0.680 419 A CB -1.410 17.655 19.000 0.108 0.000 0.787 419 A HN 0.562 nan 8.150 nan 0.000 0.467 420 T N -6.291 108.220 114.554 -0.072 0.000 3.084 420 T HA 0.465 4.816 4.350 0.001 0.000 0.270 420 T C 1.152 175.793 174.700 -0.098 0.000 1.008 420 T CA 0.913 62.974 62.100 -0.065 0.000 0.900 420 T CB 0.408 69.264 68.868 -0.020 0.000 1.084 420 T HN 1.629 nan 8.240 nan 0.000 0.538 421 G N 0.682 109.380 108.800 -0.171 0.000 2.176 421 G HA2 -0.285 3.676 3.960 0.001 0.000 0.232 421 G HA3 -0.285 3.676 3.960 0.001 0.000 0.232 421 G C 0.730 175.575 174.900 -0.093 0.000 0.986 421 G CA 0.122 45.124 45.100 -0.163 0.000 0.643 421 G HN 0.534 nan 8.290 nan 0.000 0.522 422 V N 0.194 120.077 119.914 -0.051 0.000 2.788 422 V HA 0.347 4.467 4.120 0.001 0.000 0.251 422 V C 1.397 177.516 176.094 0.042 0.000 1.068 422 V CA 1.416 63.715 62.300 -0.002 0.000 1.090 422 V CB -0.047 31.783 31.823 0.012 0.000 0.710 422 V HN 0.387 nan 8.190 nan 0.000 0.467 423 L N 0.288 121.555 121.223 0.075 0.000 2.354 423 L HA 0.478 4.818 4.340 0.001 0.000 0.269 423 L C 0.486 177.487 176.870 0.218 0.000 1.005 423 L CA -0.463 54.502 54.840 0.208 0.000 0.819 423 L CB 2.204 44.413 42.059 0.251 0.000 1.311 423 L HN 0.191 nan 8.230 nan 0.000 0.423 424 T N -1.345 113.294 114.554 0.142 0.000 2.754 424 T HA 0.146 4.497 4.350 0.001 0.000 0.286 424 T C 0.871 175.688 174.700 0.196 0.000 0.997 424 T CA -0.520 61.597 62.100 0.027 0.000 0.982 424 T CB 1.009 69.693 68.868 -0.306 0.000 1.027 424 T HN 0.451 nan 8.240 nan 0.000 0.529 425 L N 0.484 121.825 121.223 0.198 0.000 2.093 425 L HA 0.092 4.433 4.340 0.001 0.000 0.208 425 L C 2.650 179.523 176.870 0.005 0.000 1.085 425 L CA 1.758 56.665 54.840 0.113 0.000 0.755 425 L CB -1.165 40.962 42.059 0.114 0.000 0.904 425 L HN 0.886 nan 8.230 nan 0.000 0.435 426 E N -1.176 119.002 120.200 -0.037 0.000 2.070 426 E HA -0.280 4.070 4.350 0.001 0.000 0.197 426 E C 2.030 178.651 176.600 0.034 0.000 1.004 426 E CA 1.902 58.290 56.400 -0.020 0.000 0.805 426 E CB -0.243 29.410 29.700 -0.078 0.000 0.744 426 E HN 0.690 nan 8.360 nan 0.000 0.451 427 H N -0.579 118.459 119.070 -0.053 0.000 2.353 427 H HA -0.086 4.471 4.556 0.001 0.000 0.300 427 H C 2.311 177.633 175.328 -0.010 0.000 1.090 427 H CA 1.194 57.145 56.048 -0.162 0.000 1.327 427 H CB 0.037 29.663 29.762 -0.226 0.000 1.383 427 H HN -0.003 nan 8.280 nan 0.000 0.508 428 R N 1.077 121.645 120.500 0.113 0.000 2.081 428 R HA -0.125 4.216 4.340 0.001 0.000 0.235 428 R C 2.432 178.747 176.300 0.026 0.000 1.131 428 R CA 1.199 57.310 56.100 0.018 0.000 0.960 428 R CB -0.231 29.958 30.300 -0.185 0.000 0.856 428 R HN 0.296 nan 8.270 nan 0.000 0.436 429 A N 0.233 123.077 122.820 0.041 0.000 1.877 429 A HA -0.212 4.109 4.320 0.001 0.000 0.216 429 A C 1.972 179.617 177.584 0.101 0.000 1.186 429 A CA 1.315 53.383 52.037 0.052 0.000 0.620 429 A CB -1.167 17.865 19.000 0.053 0.000 0.822 429 A HN 0.734 nan 8.150 nan 0.000 0.443 430 W N 0.605 121.910 121.300 0.009 0.000 2.355 430 W HA -0.148 4.513 4.660 0.001 0.000 0.309 430 W C 2.459 178.982 176.519 0.006 0.000 1.206 430 W CA 2.411 59.784 57.345 0.047 0.000 1.284 430 W CB -0.118 29.433 29.460 0.152 0.000 1.145 430 W HN 0.361 nan 8.180 nan 0.000 0.502 431 A N 0.182 123.181 122.820 0.299 0.000 1.902 431 A HA -0.234 4.087 4.320 0.001 0.000 0.217 431 A C 1.783 179.277 177.584 -0.150 0.000 1.181 431 A CA 2.004 54.091 52.037 0.083 0.000 0.623 431 A CB -0.843 18.216 19.000 0.098 0.000 0.818 431 A HN 0.501 nan 8.150 nan 0.000 0.443 432 E N -0.673 119.462 120.200 -0.108 0.000 2.047 432 E HA -0.183 4.168 4.350 0.001 0.000 0.191 432 E C 2.298 178.791 176.600 -0.177 0.000 0.987 432 E CA 1.179 57.513 56.400 -0.111 0.000 0.799 432 E CB -0.152 29.537 29.700 -0.019 0.000 0.752 432 E HN 0.512 nan 8.360 nan 0.000 0.449 433 Q N 0.079 119.762 119.800 -0.195 0.000 2.119 433 Q HA -0.090 4.251 4.340 0.001 0.000 0.201 433 Q C 2.274 178.044 176.000 -0.384 0.000 0.972 433 Q CA 1.356 57.026 55.803 -0.222 0.000 0.847 433 Q CB -0.552 28.083 28.738 -0.170 0.000 0.903 433 Q HN 0.280 nan 8.270 nan 0.000 0.433 434 T N 0.942 115.144 114.554 -0.588 0.000 2.708 434 T HA -0.091 4.259 4.350 0.001 0.000 0.266 434 T C 2.139 176.530 174.700 -0.515 0.000 1.037 434 T CA 1.467 63.144 62.100 -0.706 0.000 1.146 434 T CB -0.208 68.000 68.868 -1.101 0.000 0.865 434 T HN 0.228 nan 8.240 nan 0.000 0.435 435 S N 1.610 117.043 115.700 -0.445 0.000 2.374 435 S HA -0.061 4.410 4.470 0.001 0.000 0.227 435 S C 2.036 176.227 174.600 -0.680 0.000 1.037 435 S CA 1.090 58.961 58.200 -0.549 0.000 1.024 435 S CB -0.568 62.385 63.200 -0.412 0.000 0.861 435 S HN 0.360 nan 8.310 nan 0.000 0.456 436 L N 0.612 121.571 121.223 -0.439 0.000 2.093 436 L HA -0.050 4.291 4.340 0.001 0.000 0.208 436 L C 2.679 179.303 176.870 -0.410 0.000 1.085 436 L CA 1.087 55.666 54.840 -0.436 0.000 0.755 436 L CB -0.393 41.224 42.059 -0.736 0.000 0.904 436 L HN 0.188 nan 8.230 nan 0.000 0.435 437 R N 1.057 121.356 120.500 -0.335 0.000 2.091 437 R HA -0.151 4.189 4.340 0.001 0.000 0.238 437 R C 2.050 178.306 176.300 -0.073 0.000 1.136 437 R CA 1.683 57.669 56.100 -0.190 0.000 0.959 437 R CB -0.634 29.360 30.300 -0.510 0.000 0.856 437 R HN 0.249 nan 8.270 nan 0.000 0.437 438 I N -0.339 120.125 120.570 -0.177 0.000 2.179 438 I HA -0.311 3.859 4.170 0.001 0.000 0.242 438 I C 1.704 177.874 176.117 0.089 0.000 1.088 438 I CA 1.313 62.620 61.300 0.011 0.000 1.357 438 I CB -0.388 37.540 38.000 -0.119 0.000 1.051 438 I HN 0.168 nan 8.210 nan 0.000 0.409 439 Y N -0.408 119.940 120.300 0.081 0.000 2.207 439 Y HA -0.313 4.237 4.550 0.001 0.000 0.287 439 Y C 2.462 178.436 175.900 0.122 0.000 1.156 439 Y CA 1.273 59.434 58.100 0.101 0.000 1.182 439 Y CB -1.324 37.164 38.460 0.047 0.000 0.979 439 Y HN 0.231 nan 8.280 nan 0.000 0.521 440 Y N 0.779 121.182 120.300 0.173 0.000 2.200 440 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 440 Y C 2.308 178.314 175.900 0.177 0.000 1.137 440 Y CA 1.569 59.777 58.100 0.180 0.000 1.163 440 Y CB -0.049 38.567 38.460 0.260 0.000 0.988 440 Y HN -0.061 nan 8.280 nan 0.000 0.518 441 E N 0.686 121.088 120.200 0.337 0.000 2.038 441 E HA -0.221 4.130 4.350 0.001 0.000 0.195 441 E C 2.349 179.010 176.600 0.101 0.000 1.000 441 E CA 1.612 58.160 56.400 0.247 0.000 0.803 441 E CB -0.756 29.160 29.700 0.359 0.000 0.750 441 E HN 0.550 nan 8.360 nan 0.000 0.448 442 L N 0.910 122.209 121.223 0.127 0.000 2.051 442 L HA -0.274 4.066 4.340 0.001 0.000 0.214 442 L C 2.347 179.197 176.870 -0.034 0.000 1.076 442 L CA 1.611 56.485 54.840 0.056 0.000 0.758 442 L CB -0.573 41.570 42.059 0.140 0.000 0.890 442 L HN 0.179 nan 8.230 nan 0.000 0.433 443 N N 0.216 118.896 118.700 -0.034 0.000 2.223 443 N HA -0.180 4.561 4.740 0.001 0.000 0.185 443 N C 1.836 177.269 175.510 -0.129 0.000 1.016 443 N CA 1.235 54.224 53.050 -0.102 0.000 0.863 443 N CB 0.086 38.504 38.487 -0.116 0.000 0.983 443 N HN 0.223 nan 8.380 nan 0.000 0.429 444 R N -0.651 119.767 120.500 -0.137 0.000 2.210 444 R HA 0.169 4.509 4.340 0.001 0.000 0.203 444 R C 1.728 177.995 176.300 -0.056 0.000 1.010 444 R CA 0.370 56.406 56.100 -0.106 0.000 1.008 444 R CB 0.080 30.317 30.300 -0.105 0.000 0.923 444 R HN 0.268 nan 8.270 nan 0.000 0.469 445 L N 0.186 121.378 121.223 -0.052 0.000 2.249 445 L HA 0.129 4.469 4.340 0.001 0.000 0.207 445 L C 1.120 177.944 176.870 -0.077 0.000 1.090 445 L CA 0.363 55.177 54.840 -0.043 0.000 0.802 445 L CB 0.004 42.045 42.059 -0.031 0.000 0.947 445 L HN 0.134 nan 8.230 nan 0.000 0.453 446 M N -0.403 119.095 119.600 -0.171 0.000 2.226 446 M HA 0.067 4.548 4.480 0.001 0.000 0.324 446 M C 0.343 176.645 176.300 0.004 0.000 1.112 446 M CA 0.391 55.512 55.300 -0.299 0.000 1.176 446 M CB 1.119 33.408 32.600 -0.519 0.000 1.430 446 M HN 0.009 nan 8.290 nan 0.000 0.462 447 S N -0.357 115.513 115.700 0.283 0.000 2.521 447 S HA 0.328 4.799 4.470 0.001 0.000 0.295 447 S C 0.750 175.436 174.600 0.144 0.000 1.098 447 S CA -0.611 57.691 58.200 0.169 0.000 0.999 447 S CB 1.446 64.725 63.200 0.132 0.000 1.034 447 S HN 0.816 nan 8.310 nan 0.000 0.483 448 T N 1.975 116.562 114.554 0.055 0.000 3.025 448 T HA 0.015 4.365 4.350 0.001 0.000 0.270 448 T C 1.253 175.950 174.700 -0.004 0.000 1.126 448 T CA 0.846 62.958 62.100 0.020 0.000 1.105 448 T CB -0.395 68.471 68.868 -0.005 0.000 0.884 448 T HN 0.697 nan 8.240 nan 0.000 0.522 449 K N 1.167 121.566 120.400 -0.001 0.000 2.288 449 K HA 0.068 4.389 4.320 0.001 0.000 0.201 449 K C 0.982 177.543 176.600 -0.064 0.000 1.048 449 K CA 0.243 56.513 56.287 -0.028 0.000 0.956 449 K CB -0.002 32.488 32.500 -0.016 0.000 0.746 449 K HN 0.268 nan 8.250 nan 0.000 0.461 450 N N 1.548 120.196 118.700 -0.086 0.000 2.408 450 N HA -0.005 4.736 4.740 0.001 0.000 0.257 450 N C 0.550 175.941 175.510 -0.198 0.000 1.064 450 N CA 0.091 53.018 53.050 -0.205 0.000 0.952 450 N CB 0.941 39.118 38.487 -0.517 0.000 1.093 450 N HN -0.005 nan 8.380 nan 0.000 0.490 451 R N 3.366 123.712 120.500 -0.257 0.000 2.127 451 R HA -0.131 4.209 4.340 0.001 0.000 0.238 451 R C 0.513 176.575 176.300 -0.396 0.000 1.134 451 R CA 1.459 57.343 56.100 -0.361 0.000 0.975 451 R CB -0.144 29.845 30.300 -0.520 0.000 0.865 451 R HN 0.547 nan 8.270 nan 0.000 0.447 452 F N -0.503 119.381 119.950 -0.111 0.000 2.335 452 F HA 0.009 4.537 4.527 0.002 0.000 0.296 452 F C 2.300 178.122 175.800 0.037 0.000 1.091 452 F CA 0.717 58.687 58.000 -0.052 0.000 1.399 452 F CB -0.480 38.487 39.000 -0.055 0.000 1.067 452 F HN 0.073 nan 8.300 nan 0.000 0.520 453 H N 0.279 119.414 119.070 0.107 0.000 2.387 453 H HA -0.017 4.539 4.556 0.001 0.000 0.299 453 H C 2.226 177.534 175.328 -0.033 0.000 1.090 453 H CA 0.950 57.008 56.048 0.017 0.000 1.332 453 H CB -0.476 29.287 29.762 0.002 0.000 1.386 453 H HN 0.189 nan 8.280 nan 0.000 0.516 454 R N -0.149 120.397 120.500 0.076 0.000 2.096 454 R HA -0.119 4.221 4.340 0.001 0.000 0.240 454 R C -0.584 175.706 176.300 -0.015 0.000 1.139 454 R CA 1.741 57.846 56.100 0.008 0.000 0.952 454 R CB -1.287 28.993 30.300 -0.033 0.000 0.854 454 R HN 0.424 nan 8.270 nan 0.000 0.436 455 P HA -0.043 nan 4.420 nan 0.000 0.225 455 P C 1.175 178.436 177.300 -0.065 0.000 1.156 455 P CA 0.880 63.966 63.100 -0.023 0.000 0.787 455 P CB -0.026 31.676 31.700 0.003 0.000 0.802 456 I N -0.593 119.916 120.570 -0.102 0.000 2.233 456 I HA -0.130 4.040 4.170 0.001 0.000 0.243 456 I C 2.357 178.298 176.117 -0.295 0.000 1.093 456 I CA 1.128 62.251 61.300 -0.295 0.000 1.380 456 I CB -1.565 36.218 38.000 -0.363 0.000 1.067 456 I HN -0.052 nan 8.210 nan 0.000 0.413 457 L N 0.587 121.706 121.223 -0.173 0.000 2.129 457 L HA -0.250 4.091 4.340 0.001 0.000 0.212 457 L C 2.216 179.019 176.870 -0.111 0.000 1.087 457 L CA 1.278 56.038 54.840 -0.134 0.000 0.757 457 L CB -0.705 41.309 42.059 -0.076 0.000 0.896 457 L HN 0.221 nan 8.230 nan 0.000 0.434 458 D N 0.033 120.378 120.400 -0.091 0.000 2.097 458 D HA -0.181 4.459 4.640 0.001 0.000 0.195 458 D C 2.133 178.385 176.300 -0.079 0.000 0.989 458 D CA 1.219 55.176 54.000 -0.070 0.000 0.827 458 D CB -0.124 40.648 40.800 -0.047 0.000 0.966 458 D HN 0.406 nan 8.370 nan 0.000 0.456 459 E N 0.253 120.393 120.200 -0.100 0.000 2.085 459 E HA -0.130 4.220 4.350 0.001 0.000 0.194 459 E C 2.347 178.879 176.600 -0.113 0.000 0.994 459 E CA 0.489 56.838 56.400 -0.084 0.000 0.801 459 E CB -0.118 29.551 29.700 -0.052 0.000 0.743 459 E HN 0.260 nan 8.360 nan 0.000 0.453 460 L N 0.490 121.609 121.223 -0.173 0.000 2.201 460 L HA -0.148 4.193 4.340 0.001 0.000 0.212 460 L C 2.550 179.365 176.870 -0.092 0.000 1.105 460 L CA 0.407 55.156 54.840 -0.152 0.000 0.775 460 L CB -0.216 41.747 42.059 -0.160 0.000 0.913 460 L HN 0.074 nan 8.230 nan 0.000 0.440 461 S N -0.100 115.549 115.700 -0.085 0.000 2.359 461 S HA -0.209 4.262 4.470 0.001 0.000 0.224 461 S C 1.815 176.379 174.600 -0.060 0.000 1.035 461 S CA 1.595 59.755 58.200 -0.067 0.000 1.018 461 S CB -0.083 63.077 63.200 -0.067 0.000 0.876 461 S HN 0.514 nan 8.310 nan 0.000 0.448 462 E N 0.158 120.323 120.200 -0.058 0.000 2.158 462 E HA -0.073 4.277 4.350 0.001 0.000 0.191 462 E C 2.205 178.779 176.600 -0.044 0.000 0.982 462 E CA 0.535 56.906 56.400 -0.048 0.000 0.823 462 E CB -0.087 29.593 29.700 -0.033 0.000 0.766 462 E HN 0.162 nan 8.360 nan 0.000 0.468 463 R N 1.314 121.776 120.500 -0.064 0.000 2.092 463 R HA -0.045 4.296 4.340 0.001 0.000 0.231 463 R C 1.541 177.827 176.300 -0.023 0.000 1.119 463 R CA 1.225 57.279 56.100 -0.076 0.000 0.970 463 R CB -0.162 30.025 30.300 -0.189 0.000 0.864 463 R HN 0.149 nan 8.270 nan 0.000 0.440 464 L N 0.295 121.519 121.223 0.001 0.000 2.769 464 L HA 0.464 4.804 4.340 0.001 0.000 0.240 464 L C 0.207 177.120 176.870 0.071 0.000 1.163 464 L CA -0.292 54.593 54.840 0.074 0.000 0.962 464 L CB 0.378 42.508 42.059 0.120 0.000 1.258 464 L HN 0.119 nan 8.230 nan 0.000 0.513 465 A N -0.166 122.660 122.820 0.010 0.000 2.445 465 A HA 0.194 4.515 4.320 0.001 0.000 0.242 465 A C -0.291 177.290 177.584 -0.004 0.000 1.075 465 A CA -0.318 51.700 52.037 -0.032 0.000 0.777 465 A CB 0.097 19.040 19.000 -0.094 0.000 1.013 465 A HN 0.139 nan 8.150 nan 0.000 0.493 466 D N 1.524 121.906 120.400 -0.031 0.000 2.350 466 D HA 0.222 4.863 4.640 0.001 0.000 0.249 466 D C -0.118 176.141 176.300 -0.068 0.000 1.119 466 D CA 0.398 54.410 54.000 0.020 0.000 0.886 466 D CB 0.753 41.636 40.800 0.138 0.000 1.195 466 D HN 0.383 nan 8.370 nan 0.000 0.437 467 K N 1.652 122.053 120.400 0.002 0.000 2.312 467 K HA 0.230 4.551 4.320 0.001 0.000 0.287 467 K C -0.574 176.045 176.600 0.030 0.000 1.062 467 K CA -0.352 55.868 56.287 -0.111 0.000 0.934 467 K CB 0.639 33.014 32.500 -0.207 0.000 1.027 467 K HN 0.191 nan 8.250 nan 0.000 0.478 468 F N 3.099 122.805 119.950 -0.407 0.000 2.427 468 F HA 0.332 4.860 4.527 0.001 0.000 0.346 468 F C -0.135 175.396 175.800 -0.448 0.000 1.120 468 F CA -1.476 56.295 58.000 -0.381 0.000 1.033 468 F CB 0.571 39.404 39.000 -0.277 0.000 1.126 468 F HN 0.320 nan 8.300 nan 0.000 0.462 469 F N 3.325 123.248 119.950 -0.044 0.000 2.390 469 F HA 0.445 4.973 4.527 0.001 0.000 0.361 469 F C 0.075 175.887 175.800 0.020 0.000 1.124 469 F CA -0.769 57.228 58.000 -0.005 0.000 1.149 469 F CB 0.769 39.732 39.000 -0.062 0.000 1.160 469 F HN -0.011 nan 8.300 nan 0.000 0.501 470 V N 2.871 122.936 119.914 0.252 0.000 2.427 470 V HA 0.178 4.299 4.120 0.001 0.000 0.286 470 V C 0.300 176.585 176.094 0.319 0.000 1.034 470 V CA -1.079 61.374 62.300 0.255 0.000 0.893 470 V CB 1.453 33.420 31.823 0.241 0.000 0.982 470 V HN 0.575 nan 8.190 nan 0.000 0.452 471 N N 5.244 124.069 118.700 0.207 0.000 2.814 471 N HA 0.218 4.959 4.740 0.001 0.000 0.304 471 N C -0.777 174.807 175.510 0.123 0.000 1.211 471 N CA 0.205 53.342 53.050 0.144 0.000 1.158 471 N CB -0.788 37.764 38.487 0.108 0.000 1.458 471 N HN 0.669 nan 8.380 nan 0.000 0.519 472 F N -1.556 118.269 119.950 -0.208 0.000 2.858 472 F HA 0.425 4.953 4.527 0.001 0.000 0.319 472 F C -1.287 174.374 175.800 -0.231 0.000 1.166 472 F CA -1.262 56.535 58.000 -0.339 0.000 0.899 472 F CB 0.650 39.423 39.000 -0.379 0.000 1.332 472 F HN -0.064 nan 8.300 nan 0.000 0.461 473 S N 2.122 117.340 115.700 -0.803 0.000 2.596 473 S HA 0.380 4.851 4.470 0.001 0.000 0.318 473 S C 0.288 174.279 174.600 -1.015 0.000 1.097 473 S CA -0.646 57.110 58.200 -0.739 0.000 1.080 473 S CB 1.400 64.512 63.200 -0.146 0.000 0.991 473 S HN 0.901 nan 8.310 nan 0.000 0.471 474 L N 5.447 125.912 121.223 -1.264 0.000 2.043 474 L HA -0.021 4.320 4.340 0.001 0.000 0.212 474 L C 1.490 178.000 176.870 -0.601 0.000 1.075 474 L CA 2.218 56.518 54.840 -0.899 0.000 0.752 474 L CB -0.517 41.019 42.059 -0.872 0.000 0.891 474 L HN 0.843 nan 8.230 nan 0.000 0.432 475 F N -1.154 118.602 119.950 -0.322 0.000 2.234 475 F HA -0.188 4.340 4.527 0.001 0.000 0.299 475 F C 2.615 178.309 175.800 -0.177 0.000 1.087 475 F CA 1.198 59.031 58.000 -0.277 0.000 1.340 475 F CB -0.627 38.139 39.000 -0.389 0.000 1.031 475 F HN 0.215 nan 8.300 nan 0.000 0.500 476 Q N 0.106 119.915 119.800 0.015 0.000 2.123 476 Q HA -0.047 4.294 4.340 0.001 0.000 0.196 476 Q C 1.917 177.898 176.000 -0.032 0.000 0.958 476 Q CA 2.012 57.828 55.803 0.021 0.000 0.841 476 Q CB -0.170 28.618 28.738 0.083 0.000 0.915 476 Q HN 0.168 nan 8.270 nan 0.000 0.455 477 S N -1.111 114.524 115.700 -0.108 0.000 2.499 477 S HA 0.251 4.721 4.470 0.001 0.000 0.225 477 S C -0.263 174.224 174.600 -0.188 0.000 1.050 477 S CA -0.092 58.038 58.200 -0.116 0.000 0.928 477 S CB 0.597 63.749 63.200 -0.078 0.000 0.803 477 S HN 0.222 nan 8.310 nan 0.000 0.506 478 L N 2.354 123.443 121.223 -0.224 0.000 2.783 478 L HA 0.394 4.734 4.340 0.001 0.000 0.265 478 L C -2.091 174.705 176.870 -0.124 0.000 1.398 478 L CA -1.676 52.987 54.840 -0.295 0.000 0.802 478 L CB 1.258 43.072 42.059 -0.408 0.000 1.126 478 L HN -0.054 nan 8.230 nan 0.000 0.529 479 P HA -0.122 nan 4.420 nan 0.000 0.218 479 P C 0.666 178.073 177.300 0.177 0.000 1.149 479 P CA 1.113 64.280 63.100 0.112 0.000 0.817 479 P CB 0.557 32.347 31.700 0.151 0.000 0.785 480 D N -0.712 119.770 120.400 0.137 0.000 2.219 480 D HA -0.092 4.548 4.640 0.001 0.000 0.205 480 D C 2.185 178.537 176.300 0.088 0.000 0.970 480 D CA 0.835 54.893 54.000 0.097 0.000 0.851 480 D CB -0.637 40.227 40.800 0.106 0.000 0.943 480 D HN 0.074 nan 8.370 nan 0.000 0.488 481 S N -0.412 115.415 115.700 0.213 0.000 2.359 481 S HA -0.214 4.257 4.470 0.001 0.000 0.223 481 S C 1.776 176.394 174.600 0.030 0.000 1.039 481 S CA 1.622 59.906 58.200 0.141 0.000 1.042 481 S CB -0.396 62.888 63.200 0.140 0.000 0.915 481 S HN 0.491 nan 8.310 nan 0.000 0.439 482 W N 1.764 122.971 121.300 -0.155 0.000 2.354 482 W HA 0.074 4.734 4.660 0.001 0.000 0.315 482 W C 2.326 178.796 176.519 -0.083 0.000 1.206 482 W CA 1.599 58.846 57.345 -0.163 0.000 1.290 482 W CB -1.138 28.158 29.460 -0.273 0.000 1.152 482 W HN 0.305 nan 8.180 nan 0.000 0.489 483 G N 0.886 109.443 108.800 -0.404 0.000 2.394 483 G HA2 -0.131 3.829 3.960 0.001 0.000 0.214 483 G HA3 -0.131 3.829 3.960 0.001 0.000 0.214 483 G C 1.197 175.832 174.900 -0.441 0.000 1.176 483 G CA 1.325 46.017 45.100 -0.680 0.000 0.786 483 G HN 0.467 nan 8.290 nan 0.000 0.533 484 I N -3.459 116.950 120.570 -0.268 0.000 3.833 484 I HA 0.360 4.530 4.170 0.001 0.000 0.328 484 I C -0.443 175.557 176.117 -0.195 0.000 1.554 484 I CA -0.391 60.778 61.300 -0.219 0.000 1.116 484 I CB 0.553 38.442 38.000 -0.185 0.000 1.182 484 I HN -0.187 nan 8.210 nan 0.000 0.459 485 D N 1.491 121.777 120.400 -0.191 0.000 2.792 485 D HA -0.250 4.390 4.640 0.001 0.000 0.231 485 D C 0.564 176.754 176.300 -0.182 0.000 1.160 485 D CA 1.198 55.104 54.000 -0.157 0.000 0.697 485 D CB -0.913 39.802 40.800 -0.142 0.000 1.070 485 D HN 0.680 nan 8.370 nan 0.000 0.426 486 Q N -0.035 119.631 119.800 -0.223 0.000 2.304 486 Q HA 0.201 4.541 4.340 0.001 0.000 0.301 486 Q C -0.550 175.180 176.000 -0.450 0.000 1.063 486 Q CA 0.222 55.777 55.803 -0.414 0.000 0.947 486 Q CB 0.769 29.222 28.738 -0.475 0.000 1.201 486 Q HN 0.143 nan 8.270 nan 0.000 0.389 487 V N 5.422 124.989 119.914 -0.577 0.000 2.539 487 V HA 0.531 4.651 4.120 0.001 0.000 0.292 487 V C -0.455 175.180 176.094 -0.764 0.000 1.045 487 V CA -0.428 61.608 62.300 -0.441 0.000 0.945 487 V CB 0.679 32.344 31.823 -0.262 0.000 0.993 487 V HN 0.675 nan 8.190 nan 0.000 0.464 488 F N 3.155 123.028 119.950 -0.129 0.000 2.576 488 F HA 0.600 5.127 4.527 0.001 0.000 0.313 488 F C -2.417 173.278 175.800 -0.175 0.000 1.078 488 F CA -2.577 55.369 58.000 -0.091 0.000 0.921 488 F CB 1.928 40.919 39.000 -0.015 0.000 1.232 488 F HN 0.295 nan 8.300 nan 0.000 0.459 489 P HA 0.303 nan 4.420 nan 0.000 0.271 489 P C -1.246 175.999 177.300 -0.091 0.000 1.218 489 P CA -0.203 62.660 63.100 -0.396 0.000 0.780 489 P CB 0.931 31.798 31.700 -1.389 0.000 0.901 490 V N 3.917 123.792 119.914 -0.065 0.000 2.668 490 V HA 0.486 4.607 4.120 0.001 0.000 0.304 490 V C -0.353 175.682 176.094 -0.099 0.000 1.071 490 V CA -0.407 61.781 62.300 -0.187 0.000 0.894 490 V CB 1.635 33.330 31.823 -0.212 0.000 1.008 490 V HN 0.364 nan 8.190 nan 0.000 0.425 491 L N 5.408 126.573 121.223 -0.096 0.000 2.466 491 L HA 0.624 4.965 4.340 0.001 0.000 0.258 491 L C -2.786 174.047 176.870 -0.061 0.000 0.973 491 L CA -1.710 53.059 54.840 -0.119 0.000 0.826 491 L CB 3.521 45.474 42.059 -0.176 0.000 1.372 491 L HN 0.414 nan 8.230 nan 0.000 0.409 492 P HA 0.222 nan 4.420 nan 0.000 0.274 492 P C 0.320 177.601 177.300 -0.033 0.000 1.237 492 P CA -0.357 62.753 63.100 0.016 0.000 0.793 492 P CB 0.801 32.534 31.700 0.055 0.000 0.977 493 L N -0.608 120.597 121.223 -0.031 0.000 2.375 493 L HA 0.110 4.451 4.340 0.001 0.000 0.215 493 L C 0.571 177.432 176.870 -0.015 0.000 1.108 493 L CA 1.066 55.909 54.840 0.006 0.000 0.830 493 L CB -0.087 41.988 42.059 0.027 0.000 0.959 493 L HN 0.367 nan 8.230 nan 0.000 0.457 494 S N -1.754 113.902 115.700 -0.073 0.000 2.618 494 S HA 0.586 5.057 4.470 0.001 0.000 0.277 494 S C 0.444 174.997 174.600 -0.078 0.000 1.138 494 S CA -0.097 58.065 58.200 -0.064 0.000 0.844 494 S CB 1.968 65.118 63.200 -0.083 0.000 1.127 494 S HN 0.268 nan 8.310 nan 0.000 0.474 495 G N 0.626 109.406 108.800 -0.033 0.000 2.225 495 G HA2 -0.220 3.740 3.960 0.001 0.000 0.267 495 G HA3 -0.220 3.740 3.960 0.001 0.000 0.267 495 G C 0.434 175.353 174.900 0.031 0.000 1.024 495 G CA 0.456 45.550 45.100 -0.011 0.000 0.784 495 G HN 0.630 nan 8.290 nan 0.000 0.507 496 L N -0.579 120.674 121.223 0.050 0.000 2.456 496 L HA -0.055 4.286 4.340 0.001 0.000 0.224 496 L C 2.784 179.717 176.870 0.106 0.000 1.148 496 L CA 1.512 56.418 54.840 0.110 0.000 0.825 496 L CB -0.243 41.891 42.059 0.125 0.000 0.937 496 L HN 0.576 nan 8.230 nan 0.000 0.450 497 Q N 1.171 121.012 119.800 0.068 0.000 2.197 497 Q HA -0.235 4.106 4.340 0.001 0.000 0.207 497 Q C 1.003 177.034 176.000 0.052 0.000 0.984 497 Q CA 1.798 57.632 55.803 0.052 0.000 0.869 497 Q CB -0.011 28.749 28.738 0.037 0.000 0.906 497 Q HN 0.596 nan 8.270 nan 0.000 0.426 498 N N -0.555 118.184 118.700 0.064 0.000 2.313 498 N HA 0.161 4.901 4.740 0.001 0.000 0.207 498 N C 0.711 176.271 175.510 0.084 0.000 1.141 498 N CA 0.250 53.341 53.050 0.069 0.000 0.830 498 N CB 0.481 39.014 38.487 0.076 0.000 1.008 498 N HN 0.226 nan 8.380 nan 0.000 0.481 499 A N 0.570 123.443 122.820 0.088 0.000 2.178 499 A HA 0.021 4.341 4.320 0.001 0.000 0.218 499 A C 2.126 179.722 177.584 0.020 0.000 1.157 499 A CA 1.199 53.295 52.037 0.099 0.000 0.689 499 A CB -0.289 18.794 19.000 0.138 0.000 0.787 499 A HN 0.367 nan 8.150 nan 0.000 0.465 500 A N -0.570 122.251 122.820 0.002 0.000 2.238 500 A HA 0.094 4.415 4.320 0.001 0.000 0.208 500 A C 1.398 178.990 177.584 0.012 0.000 1.177 500 A CA 0.977 53.004 52.037 -0.017 0.000 0.804 500 A CB -0.294 18.692 19.000 -0.024 0.000 0.823 500 A HN 0.402 nan 8.150 nan 0.000 0.482 501 D N 0.439 120.868 120.400 0.049 0.000 2.077 501 D HA -0.050 4.590 4.640 0.001 0.000 0.193 501 D C 0.997 177.336 176.300 0.066 0.000 0.989 501 D CA 1.165 55.208 54.000 0.073 0.000 0.831 501 D CB 0.079 40.951 40.800 0.119 0.000 0.979 501 D HN 0.323 nan 8.370 nan 0.000 0.449 502 R N -0.007 120.532 120.500 0.065 0.000 2.912 502 R HA 0.528 4.868 4.340 0.001 0.000 0.262 502 R C -0.011 176.269 176.300 -0.035 0.000 1.057 502 R CA -0.710 55.415 56.100 0.041 0.000 0.981 502 R CB 1.473 31.823 30.300 0.084 0.000 1.201 502 R HN -0.042 nan 8.270 nan 0.000 0.484 503 R N 0.054 120.509 120.500 -0.076 0.000 2.664 503 R HA 0.805 5.145 4.340 0.001 0.000 0.286 503 R C -0.642 175.495 176.300 -0.271 0.000 0.967 503 R CA -0.926 55.075 56.100 -0.164 0.000 0.933 503 R CB 2.050 32.266 30.300 -0.139 0.000 1.146 503 R HN 0.752 nan 8.270 nan 0.000 0.468 504 A N 1.160 123.722 122.820 -0.431 0.000 2.556 504 A HA 0.649 4.969 4.320 0.001 0.000 0.294 504 A C -0.660 176.582 177.584 -0.570 0.000 1.091 504 A CA -0.770 50.902 52.037 -0.608 0.000 0.704 504 A CB 1.774 20.009 19.000 -1.274 0.000 1.300 504 A HN 0.508 nan 8.150 nan 0.000 0.406 505 V N -0.981 118.685 119.914 -0.413 0.000 2.667 505 V HA 0.827 4.948 4.120 0.001 0.000 0.308 505 V C -0.463 175.551 176.094 -0.133 0.000 1.048 505 V CA -1.011 61.144 62.300 -0.241 0.000 0.928 505 V CB 1.639 33.431 31.823 -0.052 0.000 1.004 505 V HN 0.752 nan 8.190 nan 0.000 0.444 506 M N 5.003 124.661 119.600 0.097 0.000 2.129 506 M HA 0.613 5.093 4.480 0.001 0.000 0.348 506 M C -0.782 175.592 176.300 0.123 0.000 1.116 506 M CA -0.521 54.867 55.300 0.148 0.000 1.022 506 M CB 0.548 33.332 32.600 0.305 0.000 1.599 506 M HN 0.665 nan 8.290 nan 0.000 0.449 507 L N 2.927 124.152 121.223 0.004 0.000 2.346 507 L HA 0.496 4.837 4.340 0.001 0.000 0.274 507 L C 0.171 177.126 176.870 0.141 0.000 1.007 507 L CA -1.133 53.696 54.840 -0.019 0.000 0.818 507 L CB 1.859 43.730 42.059 -0.313 0.000 1.284 507 L HN 0.608 nan 8.230 nan 0.000 0.424 508 D N 1.709 122.184 120.400 0.125 0.000 2.411 508 D HA 0.165 4.806 4.640 0.001 0.000 0.251 508 D C 0.587 176.946 176.300 0.098 0.000 1.201 508 D CA -0.466 53.563 54.000 0.047 0.000 0.996 508 D CB 0.968 41.498 40.800 -0.450 0.000 1.101 508 D HN 0.442 nan 8.370 nan 0.000 0.504 509 I N -2.890 117.674 120.570 -0.010 0.000 3.810 509 I HA 0.169 4.340 4.170 0.001 0.000 0.322 509 I C 0.813 176.944 176.117 0.022 0.000 1.288 509 I CA -0.510 60.805 61.300 0.025 0.000 1.143 509 I CB -1.240 36.743 38.000 -0.027 0.000 1.012 509 I HN 0.368 nan 8.210 nan 0.000 0.423 510 T N -3.420 111.156 114.554 0.035 0.000 2.816 510 T HA 0.148 4.499 4.350 0.001 0.000 0.282 510 T C 0.974 175.751 174.700 0.129 0.000 0.993 510 T CA -0.378 61.816 62.100 0.157 0.000 0.994 510 T CB 1.239 70.233 68.868 0.209 0.000 1.025 510 T HN 0.246 nan 8.240 nan 0.000 0.529 511 C N 0.741 120.077 119.300 0.059 0.000 2.562 511 C HA 0.151 4.612 4.460 0.001 0.000 0.266 511 C C 0.905 175.930 174.990 0.059 0.000 1.382 511 C CA -0.010 59.029 59.018 0.034 0.000 1.742 511 C CB -1.634 26.084 27.740 -0.037 0.000 1.812 511 C HN 0.885 nan 8.230 nan 0.000 0.559 512 D N -0.203 120.257 120.400 0.101 0.000 2.210 512 D HA 0.115 4.756 4.640 0.001 0.000 0.249 512 D C 1.108 177.525 176.300 0.195 0.000 1.078 512 D CA 0.261 54.350 54.000 0.148 0.000 0.875 512 D CB 1.736 42.640 40.800 0.174 0.000 1.175 512 D HN 0.358 nan 8.370 nan 0.000 0.440 513 S N 2.482 118.277 115.700 0.160 0.000 2.423 513 S HA -0.140 4.331 4.470 0.001 0.000 0.231 513 S C 1.051 175.747 174.600 0.160 0.000 1.014 513 S CA 0.496 58.780 58.200 0.140 0.000 0.965 513 S CB 0.114 63.378 63.200 0.107 0.000 0.785 513 S HN 0.504 nan 8.310 nan 0.000 0.495 514 D N 2.212 122.750 120.400 0.230 0.000 2.348 514 D HA 0.063 4.704 4.640 0.001 0.000 0.216 514 D C 1.172 177.555 176.300 0.139 0.000 0.970 514 D CA 0.596 54.746 54.000 0.250 0.000 0.889 514 D CB -0.587 40.473 40.800 0.434 0.000 0.912 514 D HN 0.532 nan 8.370 nan 0.000 0.524 515 G N 0.425 109.342 108.800 0.195 0.000 3.008 515 G HA2 0.429 4.390 3.960 0.001 0.000 0.272 515 G HA3 0.429 4.390 3.960 0.001 0.000 0.272 515 G C -0.241 174.651 174.900 -0.012 0.000 0.764 515 G CA 0.123 45.209 45.100 -0.023 0.000 2.029 515 G HN 0.232 nan 8.290 nan 0.000 0.587 516 A N 1.931 124.737 122.820 -0.023 0.000 2.594 516 A HA 0.606 4.926 4.320 0.001 0.000 0.296 516 A C -0.709 176.891 177.584 0.025 0.000 1.061 516 A CA -0.716 51.343 52.037 0.036 0.000 0.689 516 A CB 1.160 20.188 19.000 0.047 0.000 1.280 516 A HN 0.271 nan 8.150 nan 0.000 0.406 517 I N 2.362 122.967 120.570 0.059 0.000 2.371 517 I HA 0.189 4.360 4.170 0.001 0.000 0.290 517 I C -0.022 176.010 176.117 -0.142 0.000 1.028 517 I CA 0.002 61.261 61.300 -0.068 0.000 1.345 517 I CB 0.815 38.736 38.000 -0.132 0.000 1.407 517 I HN 0.689 nan 8.210 nan 0.000 0.501 518 D N 4.620 124.915 120.400 -0.175 0.000 2.305 518 D HA 0.180 4.821 4.640 0.001 0.000 0.206 518 D C 0.669 176.860 176.300 -0.182 0.000 0.974 518 D CA 0.645 54.579 54.000 -0.109 0.000 0.871 518 D CB 0.883 41.645 40.800 -0.063 0.000 0.947 518 D HN 0.614 nan 8.370 nan 0.000 0.516 519 A N 0.100 122.661 122.820 -0.432 0.000 2.486 519 A HA 0.599 4.920 4.320 0.001 0.000 0.300 519 A C -1.794 175.453 177.584 -0.561 0.000 1.048 519 A CA -0.646 51.209 52.037 -0.303 0.000 0.696 519 A CB 1.199 20.107 19.000 -0.154 0.000 1.278 519 A HN -0.028 nan 8.150 nan 0.000 0.405 520 Y N 0.498 120.800 120.300 0.003 0.000 2.425 520 Y HA 0.504 5.054 4.550 0.001 0.000 0.344 520 Y C -0.001 175.907 175.900 0.014 0.000 0.969 520 Y CA -0.914 57.191 58.100 0.009 0.000 1.052 520 Y CB 2.358 40.826 38.460 0.012 0.000 1.215 520 Y HN 0.391 nan 8.280 nan 0.000 0.451 521 V N 4.598 124.590 119.914 0.130 0.000 2.353 521 V HA 0.204 4.325 4.120 0.001 0.000 0.264 521 V C -0.372 175.839 176.094 0.196 0.000 1.049 521 V CA -0.342 62.016 62.300 0.098 0.000 0.896 521 V CB -0.009 31.791 31.823 -0.040 0.000 1.025 521 V HN 0.858 nan 8.190 nan 0.000 0.475 522 D N 3.923 124.439 120.400 0.194 0.000 2.668 522 D HA 0.352 4.993 4.640 0.001 0.000 0.249 522 D C 1.530 177.935 176.300 0.175 0.000 1.150 522 D CA 0.031 54.162 54.000 0.217 0.000 1.090 522 D CB 0.663 41.541 40.800 0.128 0.000 1.244 522 D HN 0.306 nan 8.370 nan 0.000 0.636 523 G N -1.331 107.528 108.800 0.098 0.000 2.527 523 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 523 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 523 G C 1.035 176.007 174.900 0.120 0.000 1.117 523 G CA 0.622 45.767 45.100 0.076 0.000 0.759 523 G HN 0.377 nan 8.290 nan 0.000 0.556 524 Q N -0.784 119.073 119.800 0.095 0.000 2.391 524 Q HA 0.314 4.654 4.340 0.001 0.000 0.211 524 Q C 1.506 177.557 176.000 0.086 0.000 0.908 524 Q CA 0.776 56.626 55.803 0.079 0.000 0.920 524 Q CB 1.127 29.890 28.738 0.042 0.000 1.056 524 Q HN 0.485 nan 8.270 nan 0.000 0.523 525 G N 1.086 109.949 108.800 0.105 0.000 2.130 525 G HA2 -0.098 3.862 3.960 0.001 0.000 0.151 525 G HA3 -0.098 3.862 3.960 0.001 0.000 0.151 525 G C -1.037 173.910 174.900 0.078 0.000 1.173 525 G CA -0.773 44.378 45.100 0.086 0.000 1.278 525 G HN 0.093 nan 8.290 nan 0.000 0.479 526 I N 2.283 122.884 120.570 0.052 0.000 2.359 526 I HA 0.522 4.693 4.170 0.001 0.000 0.294 526 I C -0.178 175.975 176.117 0.061 0.000 0.987 526 I CA -0.480 60.848 61.300 0.047 0.000 1.225 526 I CB 1.590 39.597 38.000 0.012 0.000 1.366 526 I HN 0.407 nan 8.210 nan 0.000 0.466 527 E N 3.144 123.405 120.200 0.103 0.000 2.410 527 E HA 0.280 4.630 4.350 0.001 0.000 0.269 527 E C -0.072 176.642 176.600 0.190 0.000 0.937 527 E CA -0.402 56.063 56.400 0.108 0.000 0.793 527 E CB 1.993 31.743 29.700 0.083 0.000 1.314 527 E HN 0.580 nan 8.360 nan 0.000 0.447 528 S N -1.328 114.459 115.700 0.145 0.000 2.535 528 S HA 0.056 4.526 4.470 0.001 0.000 0.214 528 S C 0.727 175.439 174.600 0.186 0.000 0.980 528 S CA 0.148 58.459 58.200 0.185 0.000 0.907 528 S CB -0.138 63.112 63.200 0.083 0.000 0.790 528 S HN 0.556 nan 8.310 nan 0.000 0.510 529 T N -0.722 113.843 114.554 0.018 0.000 2.864 529 T HA 0.720 5.071 4.350 0.001 0.000 0.299 529 T C -1.291 173.167 174.700 -0.405 0.000 1.166 529 T CA -0.893 61.015 62.100 -0.320 0.000 1.007 529 T CB 1.541 70.278 68.868 -0.220 0.000 1.219 529 T HN 0.141 nan 8.240 nan 0.000 0.506 530 L N 1.819 122.677 121.223 -0.607 0.000 2.346 530 L HA 0.716 5.057 4.340 0.001 0.000 0.276 530 L C -2.730 174.023 176.870 -0.196 0.000 1.006 530 L CA -2.216 52.426 54.840 -0.331 0.000 0.817 530 L CB 1.762 43.582 42.059 -0.398 0.000 1.272 530 L HN 0.464 nan 8.230 nan 0.000 0.421 531 P HA 0.299 nan 4.420 nan 0.000 0.276 531 P C -1.423 175.911 177.300 0.057 0.000 1.235 531 P CA -0.110 62.946 63.100 -0.074 0.000 0.772 531 P CB 1.048 32.639 31.700 -0.180 0.000 0.871 532 V N 0.397 120.346 119.914 0.058 0.000 3.087 532 V HA 0.686 4.807 4.120 0.001 0.000 0.306 532 V C -2.961 173.276 176.094 0.239 0.000 1.187 532 V CA -3.210 59.205 62.300 0.192 0.000 0.999 532 V CB 1.888 33.810 31.823 0.166 0.000 1.049 532 V HN 0.188 nan 8.190 nan 0.000 0.431 533 P HA 0.325 nan 4.420 nan 0.000 0.269 533 P C -0.013 177.574 177.300 0.478 0.000 1.215 533 P CA 0.381 63.662 63.100 0.302 0.000 0.780 533 P CB 0.396 32.224 31.700 0.214 0.000 0.898 534 A N 2.487 125.527 122.820 0.366 0.000 2.567 534 A HA 0.011 4.331 4.320 0.001 0.000 0.240 534 A C -0.304 177.587 177.584 0.511 0.000 1.053 534 A CA -0.132 52.143 52.037 0.397 0.000 0.755 534 A CB -0.665 18.485 19.000 0.249 0.000 0.978 534 A HN 0.645 nan 8.150 nan 0.000 0.507 535 W N 4.026 125.454 121.300 0.212 0.000 2.266 535 W HA 0.447 5.108 4.660 0.001 0.000 0.317 535 W C -0.390 176.156 176.519 0.046 0.000 1.310 535 W CA -0.004 57.329 57.345 -0.019 0.000 1.207 535 W CB 0.605 29.706 29.460 -0.599 0.000 1.199 535 W HN 0.768 nan 8.180 nan 0.000 0.544 536 N N 3.761 122.150 118.700 -0.518 0.000 2.272 536 N HA 0.119 4.860 4.740 0.001 0.000 0.305 536 N C 0.404 175.112 175.510 -1.337 0.000 1.103 536 N CA -0.792 51.846 53.050 -0.688 0.000 0.791 536 N CB 1.216 39.529 38.487 -0.290 0.000 1.356 536 N HN 0.702 nan 8.380 nan 0.000 0.486 537 E N -0.402 119.103 120.200 -1.159 0.000 2.463 537 E HA -0.196 4.154 4.350 0.001 0.000 0.201 537 E C -0.703 175.656 176.600 -0.401 0.000 1.045 537 E CA 1.259 57.168 56.400 -0.818 0.000 0.872 537 E CB -0.390 29.153 29.700 -0.262 0.000 0.797 537 E HN 0.629 nan 8.360 nan 0.000 0.538 538 D N 0.613 120.808 120.400 -0.341 0.000 2.389 538 D HA 0.049 4.689 4.640 0.001 0.000 0.206 538 D C -0.184 176.028 176.300 -0.145 0.000 1.055 538 D CA 0.216 54.109 54.000 -0.179 0.000 0.856 538 D CB 0.406 41.130 40.800 -0.126 0.000 0.957 538 D HN 0.282 nan 8.370 nan 0.000 0.509 539 E N 1.441 121.526 120.200 -0.191 0.000 2.266 539 E HA 0.369 4.719 4.350 0.001 0.000 0.268 539 E C -2.629 173.917 176.600 -0.091 0.000 0.879 539 E CA -2.183 54.149 56.400 -0.112 0.000 0.762 539 E CB 1.718 31.362 29.700 -0.093 0.000 1.199 539 E HN -0.118 nan 8.360 nan 0.000 0.422 540 P HA 0.006 nan 4.420 nan 0.000 0.272 540 P C -1.292 176.071 177.300 0.106 0.000 1.223 540 P CA 0.005 63.139 63.100 0.058 0.000 0.784 540 P CB 0.515 32.249 31.700 0.057 0.000 0.923 541 Y N 1.619 121.954 120.300 0.058 0.000 2.333 541 Y HA 0.425 4.975 4.550 0.001 0.000 0.324 541 Y C -0.997 174.970 175.900 0.112 0.000 1.033 541 Y CA -0.750 57.406 58.100 0.094 0.000 1.224 541 Y CB 0.881 39.448 38.460 0.178 0.000 1.120 541 Y HN 0.148 nan 8.280 nan 0.000 0.457 542 L N 6.175 127.494 121.223 0.161 0.000 2.331 542 L HA 0.610 4.951 4.340 0.001 0.000 0.275 542 L C -0.496 176.441 176.870 0.111 0.000 1.022 542 L CA -0.806 54.117 54.840 0.138 0.000 0.812 542 L CB 1.553 43.649 42.059 0.062 0.000 1.257 542 L HN 0.566 nan 8.230 nan 0.000 0.435 543 M N 1.264 120.903 119.600 0.066 0.000 2.591 543 M HA 0.572 5.052 4.480 0.001 0.000 0.306 543 M C -0.124 176.046 176.300 -0.216 0.000 1.190 543 M CA -0.430 54.828 55.300 -0.069 0.000 0.889 543 M CB 2.059 34.576 32.600 -0.137 0.000 1.728 543 M HN 0.631 nan 8.290 nan 0.000 0.458 544 G N 1.326 109.911 108.800 -0.359 0.000 2.542 544 G HA2 0.790 4.750 3.960 0.001 0.000 0.311 544 G HA3 0.790 4.750 3.960 0.001 0.000 0.311 544 G C -1.907 172.491 174.900 -0.837 0.000 1.298 544 G CA -0.319 44.452 45.100 -0.549 0.000 0.973 544 G HN 0.438 nan 8.290 nan 0.000 0.487 545 F N 0.786 120.368 119.950 -0.613 0.000 2.449 545 F HA 0.609 5.137 4.527 0.001 0.000 0.342 545 F C -0.271 175.190 175.800 -0.566 0.000 1.127 545 F CA -0.758 56.986 58.000 -0.426 0.000 0.975 545 F CB 1.821 40.583 39.000 -0.398 0.000 1.146 545 F HN 0.257 nan 8.300 nan 0.000 0.444 546 F N 2.123 122.010 119.950 -0.104 0.000 2.497 546 F HA 0.603 5.131 4.527 0.001 0.000 0.331 546 F C 0.500 176.299 175.800 -0.002 0.000 1.060 546 F CA -1.110 56.798 58.000 -0.154 0.000 0.989 546 F CB 1.110 39.900 39.000 -0.351 0.000 1.245 546 F HN 0.277 nan 8.300 nan 0.000 0.486 547 L N 0.232 121.587 121.223 0.221 0.000 3.865 547 L HA -0.184 4.157 4.340 0.001 0.000 0.408 547 L C 0.657 177.771 176.870 0.407 0.000 1.209 547 L CA 0.186 55.175 54.840 0.248 0.000 0.940 547 L CB -2.080 40.095 42.059 0.194 0.000 1.971 547 L HN 0.589 nan 8.230 nan 0.000 0.899 548 V N -3.866 116.152 119.914 0.172 0.000 3.649 548 V HA 0.270 4.391 4.120 0.001 0.000 0.275 548 V C 2.045 178.180 176.094 0.068 0.000 1.281 548 V CA 1.161 63.491 62.300 0.051 0.000 1.143 548 V CB 0.504 32.227 31.823 -0.167 0.000 0.892 548 V HN 0.385 nan 8.190 nan 0.000 0.441 549 G N 0.851 109.703 108.800 0.087 0.000 2.448 549 G HA2 0.148 4.109 3.960 0.001 0.000 0.219 549 G HA3 0.148 4.109 3.960 0.001 0.000 0.219 549 G C 0.704 175.729 174.900 0.207 0.000 1.127 549 G CA 0.704 45.862 45.100 0.096 0.000 0.766 549 G HN 1.064 nan 8.290 nan 0.000 0.552 550 A N -1.544 121.409 122.820 0.222 0.000 2.287 550 A HA 0.657 4.978 4.320 0.001 0.000 0.317 550 A C 0.130 177.859 177.584 0.241 0.000 1.220 550 A CA -0.608 51.513 52.037 0.140 0.000 0.835 550 A CB 0.704 19.811 19.000 0.179 0.000 1.180 550 A HN 0.630 nan 8.150 nan 0.000 0.500 551 Y N -0.148 120.242 120.300 0.151 0.000 4.779 551 Y HA -0.319 4.232 4.550 0.001 0.000 0.284 551 Y C 1.861 177.815 175.900 0.089 0.000 0.973 551 Y CA 1.582 59.749 58.100 0.113 0.000 1.792 551 Y CB -1.442 37.086 38.460 0.113 0.000 1.120 551 Y HN 0.664 nan 8.280 nan 0.000 0.450 552 Q N 0.451 120.373 119.800 0.203 0.000 2.083 552 Q HA -0.088 4.253 4.340 0.001 0.000 0.198 552 Q C 1.893 177.927 176.000 0.057 0.000 0.969 552 Q CA 1.900 57.761 55.803 0.096 0.000 0.838 552 Q CB -0.221 28.512 28.738 -0.007 0.000 0.900 552 Q HN 0.709 nan 8.270 nan 0.000 0.436 553 E N 0.712 120.946 120.200 0.057 0.000 2.106 553 E HA -0.114 4.237 4.350 0.001 0.000 0.192 553 E C 2.052 178.681 176.600 0.049 0.000 0.984 553 E CA 1.139 57.563 56.400 0.041 0.000 0.806 553 E CB -0.180 29.547 29.700 0.044 0.000 0.750 553 E HN 0.483 nan 8.360 nan 0.000 0.458 554 I N -1.128 119.484 120.570 0.069 0.000 2.353 554 I HA -0.140 4.030 4.170 0.001 0.000 0.248 554 I C 1.754 177.915 176.117 0.072 0.000 1.119 554 I CA 1.361 62.702 61.300 0.068 0.000 1.417 554 I CB -0.280 37.765 38.000 0.074 0.000 1.078 554 I HN 0.041 nan 8.210 nan 0.000 0.421 555 L N 1.933 123.214 121.223 0.096 0.000 2.554 555 L HA 0.261 4.602 4.340 0.001 0.000 0.226 555 L C 1.610 178.526 176.870 0.077 0.000 1.137 555 L CA 0.014 54.912 54.840 0.097 0.000 0.863 555 L CB -0.762 41.373 42.059 0.125 0.000 0.985 555 L HN 0.300 nan 8.230 nan 0.000 0.451 556 G N 0.775 109.607 108.800 0.054 0.000 2.554 556 G HA2 0.265 4.226 3.960 0.001 0.000 0.238 556 G HA3 0.265 4.226 3.960 0.001 0.000 0.238 556 G C -0.818 174.096 174.900 0.024 0.000 1.259 556 G CA -0.083 45.039 45.100 0.037 0.000 0.843 556 G HN 0.384 nan 8.290 nan 0.000 0.582 557 D N -0.847 119.566 120.400 0.021 0.000 2.596 557 D HA 0.374 5.015 4.640 0.001 0.000 0.262 557 D C -0.121 176.183 176.300 0.006 0.000 1.210 557 D CA -0.965 53.030 54.000 -0.008 0.000 0.873 557 D CB 1.042 41.822 40.800 -0.035 0.000 1.408 557 D HN 0.163 nan 8.370 nan 0.000 0.441 558 M N 0.650 120.236 119.600 -0.024 0.000 3.057 558 M HA 0.206 4.686 4.480 0.001 0.000 0.246 558 M C -0.394 175.886 176.300 -0.034 0.000 1.289 558 M CA -0.322 54.967 55.300 -0.018 0.000 1.161 558 M CB -0.721 31.851 32.600 -0.046 0.000 1.302 558 M HN 0.376 nan 8.290 nan 0.000 0.483 559 H N 1.055 120.016 119.070 -0.181 0.000 3.034 559 H HA 0.022 4.579 4.556 0.001 0.000 0.324 559 H C 0.686 175.896 175.328 -0.197 0.000 1.015 559 H CA 1.579 57.447 56.048 -0.299 0.000 1.429 559 H CB 0.131 29.535 29.762 -0.596 0.000 1.429 559 H HN 0.583 nan 8.280 nan 0.000 0.585 560 N N 2.983 121.372 118.700 -0.519 0.000 2.828 560 N HA -0.249 4.492 4.740 0.001 0.000 0.248 560 N C -0.376 174.819 175.510 -0.526 0.000 1.044 560 N CA 0.526 53.302 53.050 -0.458 0.000 0.851 560 N CB -0.594 37.727 38.487 -0.277 0.000 1.136 560 N HN 0.735 nan 8.380 nan 0.000 0.572 561 L N -2.545 118.451 121.223 -0.378 0.000 4.040 561 L HA -0.251 4.089 4.340 0.001 0.000 0.410 561 L C -0.569 175.995 176.870 -0.510 0.000 1.187 561 L CA 0.598 55.218 54.840 -0.367 0.000 0.956 561 L CB -1.944 39.904 42.059 -0.353 0.000 2.022 561 L HN 0.116 nan 8.230 nan 0.000 0.897 562 F N 0.681 120.484 119.950 -0.244 0.000 2.424 562 F HA 0.552 5.080 4.527 0.001 0.000 0.356 562 F C 1.410 177.090 175.800 -0.200 0.000 1.110 562 F CA 0.451 58.230 58.000 -0.369 0.000 1.161 562 F CB 1.050 39.831 39.000 -0.365 0.000 1.115 562 F HN -0.002 nan 8.300 nan 0.000 0.507 563 G N 1.870 110.653 108.800 -0.028 0.000 2.702 563 G HA2 0.204 4.164 3.960 0.001 0.000 0.254 563 G HA3 0.204 4.164 3.960 0.001 0.000 0.254 563 G C -0.769 174.251 174.900 0.201 0.000 1.380 563 G CA -0.746 44.411 45.100 0.094 0.000 1.042 563 G HN 0.380 nan 8.290 nan 0.000 0.557 564 D N 0.700 121.214 120.400 0.190 0.000 2.443 564 D HA 0.298 4.938 4.640 0.001 0.000 0.239 564 D C 1.071 177.535 176.300 0.272 0.000 1.136 564 D CA 0.401 54.514 54.000 0.188 0.000 0.879 564 D CB 1.111 41.997 40.800 0.143 0.000 1.195 564 D HN 0.421 nan 8.370 nan 0.000 0.443 565 T N -0.263 114.418 114.554 0.211 0.000 2.849 565 T HA 0.166 4.517 4.350 0.001 0.000 0.284 565 T C 0.653 175.447 174.700 0.157 0.000 1.004 565 T CA -0.749 61.467 62.100 0.193 0.000 1.021 565 T CB 0.615 69.493 68.868 0.018 0.000 1.013 565 T HN 0.242 nan 8.240 nan 0.000 0.527 566 H N 0.801 120.018 119.070 0.245 0.000 2.913 566 H HA 0.399 4.956 4.556 0.001 0.000 0.365 566 H C 0.728 176.087 175.328 0.052 0.000 1.155 566 H CA 0.354 56.443 56.048 0.068 0.000 1.417 566 H CB 0.265 30.003 29.762 -0.041 0.000 1.386 566 H HN 0.873 nan 8.280 nan 0.000 0.614 567 S N 0.085 115.885 115.700 0.167 0.000 2.533 567 S HA 0.585 5.056 4.470 0.001 0.000 0.271 567 S C -0.619 174.019 174.600 0.062 0.000 1.143 567 S CA -0.585 57.666 58.200 0.085 0.000 0.891 567 S CB 1.282 64.521 63.200 0.065 0.000 1.105 567 S HN 0.675 nan 8.310 nan 0.000 0.468 568 V N -0.346 119.580 119.914 0.020 0.000 3.078 568 V HA 0.936 5.056 4.120 0.001 0.000 0.311 568 V C -1.153 174.933 176.094 -0.014 0.000 1.138 568 V CA -0.879 61.431 62.300 0.017 0.000 1.007 568 V CB 1.611 33.424 31.823 -0.016 0.000 1.045 568 V HN 0.858 nan 8.190 nan 0.000 0.432 569 V N 2.759 122.697 119.914 0.040 0.000 2.357 569 V HA 0.555 4.676 4.120 0.001 0.000 0.284 569 V C -0.236 175.844 176.094 -0.024 0.000 1.018 569 V CA -0.381 61.942 62.300 0.038 0.000 0.841 569 V CB 1.536 33.518 31.823 0.264 0.000 0.991 569 V HN 0.787 nan 8.190 nan 0.000 0.437 570 V N 5.370 125.220 119.914 -0.105 0.000 2.398 570 V HA 0.480 4.601 4.120 0.001 0.000 0.286 570 V C -0.167 176.008 176.094 0.135 0.000 1.026 570 V CA -0.671 61.625 62.300 -0.006 0.000 0.868 570 V CB 1.803 33.622 31.823 -0.007 0.000 0.982 570 V HN 0.946 nan 8.190 nan 0.000 0.443 571 N N 2.356 121.132 118.700 0.126 0.000 2.314 571 N HA 0.675 5.415 4.740 0.001 0.000 0.304 571 N C -1.140 174.455 175.510 0.141 0.000 1.073 571 N CA -0.563 52.579 53.050 0.154 0.000 0.822 571 N CB 2.484 41.036 38.487 0.109 0.000 1.280 571 N HN 0.427 nan 8.380 nan 0.000 0.489 572 V N 1.152 121.156 119.914 0.150 0.000 2.394 572 V HA 0.610 4.731 4.120 0.001 0.000 0.282 572 V C 0.927 177.070 176.094 0.082 0.000 1.031 572 V CA -0.584 61.782 62.300 0.110 0.000 0.881 572 V CB 1.199 33.096 31.823 0.124 0.000 0.982 572 V HN 0.783 nan 8.190 nan 0.000 0.451 573 G N 2.154 110.970 108.800 0.027 0.000 2.588 573 G HA2 0.241 4.202 3.960 0.001 0.000 0.281 573 G HA3 0.241 4.202 3.960 0.001 0.000 0.281 573 G C 0.445 175.365 174.900 0.032 0.000 1.236 573 G CA -0.293 44.820 45.100 0.022 0.000 0.969 573 G HN 0.675 nan 8.290 nan 0.000 0.504 574 D N -0.599 119.832 120.400 0.052 0.000 2.178 574 D HA -0.079 4.561 4.640 0.001 0.000 0.201 574 D C 1.983 178.352 176.300 0.115 0.000 0.980 574 D CA 1.135 55.200 54.000 0.108 0.000 0.842 574 D CB 0.190 41.034 40.800 0.073 0.000 0.948 574 D HN 0.270 nan 8.370 nan 0.000 0.472 575 Q N -0.941 118.829 119.800 -0.049 0.000 2.246 575 Q HA 0.337 4.678 4.340 0.001 0.000 0.202 575 Q C 0.859 176.566 176.000 -0.487 0.000 0.883 575 Q CA 0.304 56.022 55.803 -0.141 0.000 0.952 575 Q CB 0.612 29.312 28.738 -0.064 0.000 1.078 575 Q HN 0.285 nan 8.270 nan 0.000 0.493 576 G N 0.123 108.443 108.800 -0.800 0.000 2.141 576 G HA2 -0.271 3.689 3.960 0.001 0.000 0.242 576 G HA3 -0.271 3.689 3.960 0.001 0.000 0.242 576 G C -0.354 174.387 174.900 -0.265 0.000 0.982 576 G CA -0.068 44.559 45.100 -0.789 0.000 0.662 576 G HN 0.350 nan 8.290 nan 0.000 0.527 577 E N -0.249 119.851 120.200 -0.167 0.000 2.392 577 E HA 0.458 4.808 4.350 0.001 0.000 0.264 577 E C 0.828 177.414 176.600 -0.023 0.000 1.024 577 E CA 0.085 56.442 56.400 -0.071 0.000 0.903 577 E CB 0.785 30.456 29.700 -0.048 0.000 0.963 577 E HN 0.410 nan 8.360 nan 0.000 0.432 578 I N 3.267 123.837 120.570 0.001 0.000 2.287 578 I HA 0.130 4.300 4.170 0.001 0.000 0.290 578 I C -0.418 175.712 176.117 0.022 0.000 1.069 578 I CA -0.230 61.092 61.300 0.036 0.000 1.237 578 I CB 0.144 38.174 38.000 0.050 0.000 1.418 578 I HN 0.388 nan 8.210 nan 0.000 0.481 579 N N 7.440 126.154 118.700 0.024 0.000 2.426 579 N HA 0.458 5.199 4.740 0.001 0.000 0.257 579 N C -0.731 174.769 175.510 -0.015 0.000 1.002 579 N CA -0.426 52.621 53.050 -0.005 0.000 0.942 579 N CB 1.431 39.912 38.487 -0.011 0.000 1.112 579 N HN 0.462 nan 8.380 nan 0.000 0.499 580 I N 1.977 122.523 120.570 -0.039 0.000 2.307 580 I HA 0.161 4.331 4.170 0.001 0.000 0.289 580 I C 0.217 176.262 176.117 -0.119 0.000 1.021 580 I CA -0.226 61.040 61.300 -0.056 0.000 1.224 580 I CB 0.960 38.938 38.000 -0.037 0.000 1.376 580 I HN 0.621 nan 8.210 nan 0.000 0.470 581 D N 5.300 125.585 120.400 -0.191 0.000 2.455 581 D HA 0.151 4.792 4.640 0.001 0.000 0.228 581 D C -0.194 175.658 176.300 -0.748 0.000 1.070 581 D CA 0.824 54.550 54.000 -0.456 0.000 0.881 581 D CB 0.808 41.263 40.800 -0.576 0.000 1.087 581 D HN 0.220 nan 8.370 nan 0.000 0.498 582 F N 0.746 120.693 119.950 -0.004 0.000 2.576 582 F HA 0.520 5.048 4.527 0.001 0.000 0.313 582 F C -0.231 175.562 175.800 -0.012 0.000 1.078 582 F CA -0.904 57.094 58.000 -0.003 0.000 0.921 582 F CB 2.238 41.240 39.000 0.004 0.000 1.232 582 F HN -0.339 nan 8.300 nan 0.000 0.459 583 I N 2.891 123.569 120.570 0.179 0.000 2.512 583 I HA 0.298 4.468 4.170 0.001 0.000 0.287 583 I C -1.220 174.953 176.117 0.093 0.000 1.069 583 I CA -0.709 60.644 61.300 0.089 0.000 1.056 583 I CB 1.942 39.952 38.000 0.016 0.000 1.229 583 I HN 0.499 nan 8.210 nan 0.000 0.429 584 N N 6.194 124.949 118.700 0.091 0.000 2.479 584 N HA 0.291 5.032 4.740 0.001 0.000 0.261 584 N C -0.719 174.869 175.510 0.131 0.000 0.979 584 N CA -0.512 52.596 53.050 0.096 0.000 0.930 584 N CB 1.948 40.489 38.487 0.090 0.000 1.172 584 N HN 0.585 nan 8.380 nan 0.000 0.499 585 E N 0.445 120.722 120.200 0.128 0.000 2.354 585 E HA 0.262 4.612 4.350 0.001 0.000 0.269 585 E C 0.729 177.499 176.600 0.284 0.000 1.036 585 E CA -0.401 56.142 56.400 0.238 0.000 0.876 585 E CB 1.212 30.977 29.700 0.107 0.000 1.009 585 E HN 0.502 nan 8.360 nan 0.000 0.416 586 G N 2.099 111.119 108.800 0.367 0.000 2.588 586 G HA2 0.051 4.012 3.960 0.001 0.000 0.281 586 G HA3 0.051 4.012 3.960 0.001 0.000 0.281 586 G C -0.251 174.808 174.900 0.266 0.000 1.236 586 G CA -0.600 44.645 45.100 0.240 0.000 0.969 586 G HN 0.449 nan 8.290 nan 0.000 0.504 587 D N 0.022 120.586 120.400 0.274 0.000 2.399 587 D HA 0.270 4.911 4.640 0.001 0.000 0.241 587 D C 1.085 177.517 176.300 0.220 0.000 1.133 587 D CA 0.478 54.609 54.000 0.219 0.000 0.890 587 D CB 1.165 42.096 40.800 0.218 0.000 1.201 587 D HN 0.443 nan 8.370 nan 0.000 0.432 588 T N -2.522 112.111 114.554 0.132 0.000 2.897 588 T HA 0.249 4.600 4.350 0.001 0.000 0.278 588 T C 1.497 176.205 174.700 0.014 0.000 0.981 588 T CA -0.873 61.290 62.100 0.105 0.000 0.973 588 T CB 0.791 69.701 68.868 0.071 0.000 1.092 588 T HN 0.041 nan 8.240 nan 0.000 0.543 589 V N 0.711 120.618 119.914 -0.011 0.000 2.407 589 V HA -0.126 3.994 4.120 0.001 0.000 0.248 589 V C 2.815 178.862 176.094 -0.078 0.000 1.055 589 V CA 2.293 64.551 62.300 -0.069 0.000 1.049 589 V CB -1.059 30.723 31.823 -0.068 0.000 0.662 589 V HN 1.061 nan 8.190 nan 0.000 0.455 590 E N 0.139 120.305 120.200 -0.056 0.000 2.110 590 E HA -0.276 4.074 4.350 0.001 0.000 0.193 590 E C 1.819 178.329 176.600 -0.150 0.000 0.988 590 E CA 1.580 57.935 56.400 -0.075 0.000 0.804 590 E CB -0.095 29.581 29.700 -0.041 0.000 0.745 590 E HN 0.616 nan 8.360 nan 0.000 0.458 591 D N 0.348 120.645 120.400 -0.172 0.000 2.123 591 D HA -0.202 4.439 4.640 0.001 0.000 0.196 591 D C 1.960 177.914 176.300 -0.578 0.000 0.992 591 D CA 1.171 54.942 54.000 -0.382 0.000 0.833 591 D CB -0.180 40.477 40.800 -0.239 0.000 0.954 591 D HN 0.316 nan 8.370 nan 0.000 0.455 592 M N 0.041 119.498 119.600 -0.238 0.000 2.159 592 M HA -0.055 4.425 4.480 0.001 0.000 0.263 592 M C 2.251 178.465 176.300 -0.144 0.000 1.063 592 M CA 0.921 56.161 55.300 -0.100 0.000 1.110 592 M CB -0.765 31.792 32.600 -0.073 0.000 1.374 592 M HN 0.095 nan 8.290 nan 0.000 0.411 593 M N -0.389 119.116 119.600 -0.157 0.000 2.117 593 M HA -0.175 4.306 4.480 0.001 0.000 0.262 593 M C 2.172 178.390 176.300 -0.137 0.000 1.065 593 M CA 1.517 56.743 55.300 -0.124 0.000 1.114 593 M CB -1.069 31.477 32.600 -0.091 0.000 1.361 593 M HN 0.313 nan 8.290 nan 0.000 0.408 594 R N -0.369 120.007 120.500 -0.207 0.000 2.075 594 R HA -0.132 4.209 4.340 0.001 0.000 0.232 594 R C 2.123 178.336 176.300 -0.146 0.000 1.126 594 R CA 1.338 57.324 56.100 -0.189 0.000 0.963 594 R CB -0.566 29.593 30.300 -0.235 0.000 0.858 594 R HN 0.351 nan 8.270 nan 0.000 0.435 595 Y N 0.562 120.807 120.300 -0.092 0.000 2.315 595 Y HA -0.134 4.417 4.550 0.001 0.000 0.288 595 Y C 2.202 177.873 175.900 -0.381 0.000 1.154 595 Y CA 0.784 58.791 58.100 -0.155 0.000 1.229 595 Y CB -0.564 37.828 38.460 -0.112 0.000 0.980 595 Y HN -0.051 nan 8.280 nan 0.000 0.540 596 V N -3.143 116.642 119.914 -0.215 0.000 3.514 596 V HA 0.201 4.322 4.120 0.001 0.000 0.301 596 V C -0.162 175.717 176.094 -0.358 0.000 1.346 596 V CA 0.231 62.317 62.300 -0.357 0.000 1.156 596 V CB -1.501 30.219 31.823 -0.171 0.000 1.029 596 V HN 0.658 nan 8.190 nan 0.000 0.428 597 H N -1.627 117.444 119.070 0.001 0.000 2.969 597 H HA -0.129 4.428 4.556 0.001 0.000 0.269 597 H C 0.213 175.525 175.328 -0.028 0.000 1.230 597 H CA 0.558 56.599 56.048 -0.011 0.000 1.123 597 H CB -2.075 27.684 29.762 -0.005 0.000 1.289 597 H HN 0.538 nan 8.280 nan 0.000 0.364 598 I N 1.488 122.073 120.570 0.025 0.000 2.474 598 I HA 0.018 4.188 4.170 0.001 0.000 0.287 598 I C 0.774 176.888 176.117 -0.005 0.000 1.048 598 I CA 0.033 61.331 61.300 -0.004 0.000 1.383 598 I CB 0.598 38.575 38.000 -0.038 0.000 1.412 598 I HN 0.186 nan 8.210 nan 0.000 0.531 599 D N 6.257 126.650 120.400 -0.011 0.000 2.422 599 D HA 0.119 4.760 4.640 0.001 0.000 0.227 599 D C 0.803 177.087 176.300 -0.026 0.000 1.190 599 D CA -0.099 53.892 54.000 -0.016 0.000 0.905 599 D CB 1.280 42.071 40.800 -0.016 0.000 1.034 599 D HN 0.235 nan 8.370 nan 0.000 0.507 600 V N 3.843 123.743 119.914 -0.022 0.000 2.307 600 V HA -0.196 3.925 4.120 0.001 0.000 0.245 600 V C 1.817 177.911 176.094 -0.001 0.000 1.045 600 V CA 1.337 63.628 62.300 -0.015 0.000 1.024 600 V CB -0.255 31.557 31.823 -0.018 0.000 0.651 600 V HN 0.528 nan 8.190 nan 0.000 0.449 601 D N -0.195 120.203 120.400 -0.003 0.000 2.127 601 D HA -0.291 4.350 4.640 0.001 0.000 0.190 601 D C 2.149 178.449 176.300 0.000 0.000 1.000 601 D CA 2.013 56.014 54.000 0.002 0.000 0.839 601 D CB -0.241 40.556 40.800 -0.006 0.000 0.955 601 D HN 0.460 nan 8.370 nan 0.000 0.446 602 Q N -0.112 119.679 119.800 -0.015 0.000 2.061 602 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 602 Q C 2.186 178.160 176.000 -0.044 0.000 0.984 602 Q CA 1.064 56.851 55.803 -0.026 0.000 0.846 602 Q CB -0.061 28.656 28.738 -0.034 0.000 0.902 602 Q HN 0.201 nan 8.270 nan 0.000 0.421 603 I N 0.191 120.719 120.570 -0.070 0.000 2.252 603 I HA -0.217 3.954 4.170 0.001 0.000 0.245 603 I C 2.357 178.417 176.117 -0.095 0.000 1.102 603 I CA 1.392 62.597 61.300 -0.159 0.000 1.385 603 I CB -1.139 36.753 38.000 -0.181 0.000 1.064 603 I HN 0.329 nan 8.210 nan 0.000 0.414 604 R N 0.904 121.436 120.500 0.053 0.000 2.091 604 R HA -0.183 4.158 4.340 0.001 0.000 0.238 604 R C 2.312 178.793 176.300 0.302 0.000 1.136 604 R CA 1.287 57.513 56.100 0.210 0.000 0.959 604 R CB 0.058 30.463 30.300 0.175 0.000 0.856 604 R HN 0.178 nan 8.270 nan 0.000 0.437 605 K N 0.376 120.861 120.400 0.141 0.000 2.026 605 K HA -0.102 4.218 4.320 0.001 0.000 0.208 605 K C 1.787 178.456 176.600 0.115 0.000 1.048 605 K CA 1.505 57.860 56.287 0.113 0.000 0.929 605 K CB -0.380 32.138 32.500 0.029 0.000 0.713 605 K HN 0.180 nan 8.250 nan 0.000 0.439 606 N N 0.119 118.834 118.700 0.026 0.000 2.166 606 N HA -0.147 4.593 4.740 0.001 0.000 0.186 606 N C 1.729 177.247 175.510 0.015 0.000 1.019 606 N CA 1.041 54.078 53.050 -0.023 0.000 0.856 606 N CB -0.361 38.053 38.487 -0.121 0.000 0.993 606 N HN 0.169 nan 8.380 nan 0.000 0.426 607 Y N 0.427 120.733 120.300 0.010 0.000 2.224 607 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 607 Y C 2.148 177.990 175.900 -0.098 0.000 1.146 607 Y CA 1.172 59.232 58.100 -0.068 0.000 1.182 607 Y CB -0.756 37.621 38.460 -0.138 0.000 0.983 607 Y HN 0.309 nan 8.280 nan 0.000 0.524 608 H N -1.573 117.590 119.070 0.155 0.000 2.353 608 H HA -0.130 4.427 4.556 0.001 0.000 0.300 608 H C 2.428 177.790 175.328 0.056 0.000 1.090 608 H CA 1.858 57.956 56.048 0.082 0.000 1.327 608 H CB -0.182 29.613 29.762 0.055 0.000 1.383 608 H HN 0.127 nan 8.280 nan 0.000 0.508 609 S N 0.122 115.912 115.700 0.149 0.000 2.356 609 S HA -0.128 4.342 4.470 0.001 0.000 0.223 609 S C 2.110 176.747 174.600 0.061 0.000 1.032 609 S CA 1.029 59.279 58.200 0.083 0.000 1.005 609 S CB -0.333 62.898 63.200 0.053 0.000 0.867 609 S HN 0.175 nan 8.310 nan 0.000 0.449 610 L N 1.769 123.031 121.223 0.064 0.000 2.046 610 L HA -0.049 4.292 4.340 0.001 0.000 0.208 610 L C 2.181 179.077 176.870 0.043 0.000 1.077 610 L CA 1.424 56.295 54.840 0.053 0.000 0.747 610 L CB -0.556 41.547 42.059 0.073 0.000 0.896 610 L HN 0.133 nan 8.230 nan 0.000 0.432 611 V N -1.595 118.343 119.914 0.039 0.000 2.407 611 V HA -0.242 3.879 4.120 0.001 0.000 0.248 611 V C 2.518 178.619 176.094 0.011 0.000 1.055 611 V CA 1.751 64.054 62.300 0.005 0.000 1.049 611 V CB -0.711 31.087 31.823 -0.041 0.000 0.662 611 V HN 0.428 nan 8.190 nan 0.000 0.455 612 S N 0.023 115.740 115.700 0.028 0.000 2.368 612 S HA -0.269 4.201 4.470 0.001 0.000 0.225 612 S C 2.058 176.670 174.600 0.020 0.000 1.030 612 S CA 1.914 60.131 58.200 0.029 0.000 0.999 612 S CB -0.328 62.899 63.200 0.045 0.000 0.844 612 S HN 0.846 nan 8.310 nan 0.000 0.459 613 Q N 0.957 120.769 119.800 0.020 0.000 2.123 613 Q HA -0.000 4.340 4.340 0.001 0.000 0.199 613 Q C 1.787 177.793 176.000 0.009 0.000 0.966 613 Q CA 1.154 56.966 55.803 0.014 0.000 0.845 613 Q CB -0.179 28.568 28.738 0.014 0.000 0.907 613 Q HN 0.365 nan 8.270 nan 0.000 0.439 614 R N -0.081 120.425 120.500 0.009 0.000 2.300 614 R HA 0.258 4.599 4.340 0.001 0.000 0.199 614 R C -0.400 175.900 176.300 -0.001 0.000 0.920 614 R CA -0.071 56.032 56.100 0.005 0.000 1.046 614 R CB 1.054 31.358 30.300 0.007 0.000 0.984 614 R HN 0.031 nan 8.270 nan 0.000 0.493 615 V N 1.329 121.241 119.914 -0.002 0.000 2.656 615 V HA 0.126 4.247 4.120 0.001 0.000 0.307 615 V C -0.603 175.488 176.094 -0.004 0.000 1.051 615 V CA -1.106 61.190 62.300 -0.007 0.000 0.893 615 V CB 2.232 34.047 31.823 -0.015 0.000 0.999 615 V HN 0.053 nan 8.190 nan 0.000 0.426 616 D N 3.093 123.490 120.400 -0.005 0.000 2.488 616 D HA 0.022 4.663 4.640 0.001 0.000 0.238 616 D C 1.048 177.347 176.300 -0.003 0.000 1.138 616 D CA 0.163 54.161 54.000 -0.003 0.000 0.873 616 D CB 1.322 42.120 40.800 -0.004 0.000 1.183 616 D HN 0.736 nan 8.370 nan 0.000 0.458 617 Q N 1.508 121.308 119.800 0.000 0.000 2.364 617 Q HA -0.187 4.154 4.340 0.001 0.000 0.209 617 Q C 1.409 177.409 176.000 0.001 0.000 0.977 617 Q CA 1.069 56.873 55.803 0.002 0.000 0.885 617 Q CB -0.005 28.736 28.738 0.006 0.000 0.941 617 Q HN 0.312 nan 8.270 nan 0.000 0.464 618 E N 2.038 122.237 120.200 -0.001 0.000 2.153 618 E HA -0.203 4.147 4.350 0.001 0.000 0.194 618 E C 0.841 177.439 176.600 -0.004 0.000 0.988 618 E CA 1.722 58.121 56.400 -0.002 0.000 0.811 618 E CB 0.063 29.762 29.700 -0.002 0.000 0.746 618 E HN 0.722 nan 8.360 nan 0.000 0.466 619 E N -0.536 119.660 120.200 -0.007 0.000 2.474 619 E HA 0.078 4.429 4.350 0.001 0.000 0.195 619 E C 1.767 178.358 176.600 -0.016 0.000 1.039 619 E CA -0.092 56.300 56.400 -0.012 0.000 0.881 619 E CB 0.127 29.817 29.700 -0.016 0.000 0.970 619 E HN 0.287 nan 8.360 nan 0.000 0.486 620 Q N 0.995 120.788 119.800 -0.011 0.000 2.084 620 Q HA -0.260 4.080 4.340 0.001 0.000 0.202 620 Q C 2.235 178.227 176.000 -0.013 0.000 0.978 620 Q CA 1.817 57.613 55.803 -0.013 0.000 0.844 620 Q CB -0.056 28.683 28.738 0.001 0.000 0.898 620 Q HN 0.320 nan 8.270 nan 0.000 0.426 621 Q N 0.539 120.338 119.800 -0.003 0.000 2.084 621 Q HA -0.276 4.065 4.340 0.001 0.000 0.202 621 Q C 2.046 178.039 176.000 -0.012 0.000 0.978 621 Q CA 1.653 57.458 55.803 0.003 0.000 0.844 621 Q CB -0.103 28.641 28.738 0.010 0.000 0.898 621 Q HN 0.145 nan 8.270 nan 0.000 0.426 622 Q N 0.315 120.105 119.800 -0.017 0.000 2.045 622 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 622 Q C 1.896 177.870 176.000 -0.044 0.000 0.991 622 Q CA 2.056 57.844 55.803 -0.024 0.000 0.851 622 Q CB -0.372 28.353 28.738 -0.021 0.000 0.911 622 Q HN 0.546 nan 8.270 nan 0.000 0.418 623 I N 0.116 120.652 120.570 -0.056 0.000 2.127 623 I HA -0.282 3.888 4.170 0.001 0.000 0.241 623 I C 2.304 178.346 176.117 -0.125 0.000 1.075 623 I CA 1.312 62.559 61.300 -0.088 0.000 1.334 623 I CB -1.475 36.472 38.000 -0.089 0.000 1.040 623 I HN 0.265 nan 8.210 nan 0.000 0.405 624 L N 0.566 121.716 121.223 -0.122 0.000 2.042 624 L HA -0.193 4.148 4.340 0.001 0.000 0.210 624 L C 2.734 179.543 176.870 -0.101 0.000 1.076 624 L CA 1.476 56.215 54.840 -0.168 0.000 0.749 624 L CB -0.789 41.188 42.059 -0.136 0.000 0.893 624 L HN 0.211 nan 8.230 nan 0.000 0.432 625 A N -0.237 122.554 122.820 -0.049 0.000 1.933 625 A HA -0.218 4.103 4.320 0.001 0.000 0.218 625 A C 2.223 179.781 177.584 -0.043 0.000 1.175 625 A CA 1.739 53.761 52.037 -0.025 0.000 0.628 625 A CB -0.390 18.603 19.000 -0.011 0.000 0.814 625 A HN 0.487 nan 8.150 nan 0.000 0.444 626 E N -0.249 119.912 120.200 -0.065 0.000 2.107 626 E HA -0.069 4.282 4.350 0.001 0.000 0.191 626 E C 1.953 178.494 176.600 -0.100 0.000 0.982 626 E CA 0.808 57.167 56.400 -0.068 0.000 0.809 626 E CB -0.265 29.395 29.700 -0.066 0.000 0.756 626 E HN 0.618 nan 8.360 nan 0.000 0.459 627 L N 0.981 122.107 121.223 -0.162 0.000 2.042 627 L HA -0.232 4.109 4.340 0.001 0.000 0.210 627 L C 2.619 179.410 176.870 -0.132 0.000 1.076 627 L CA 1.169 55.871 54.840 -0.229 0.000 0.749 627 L CB -0.311 41.485 42.059 -0.438 0.000 0.893 627 L HN 0.117 nan 8.230 nan 0.000 0.432 628 E N 0.445 120.596 120.200 -0.082 0.000 2.028 628 E HA -0.237 4.114 4.350 0.001 0.000 0.191 628 E C 2.174 178.772 176.600 -0.004 0.000 0.988 628 E CA 1.449 57.839 56.400 -0.016 0.000 0.799 628 E CB -0.119 29.593 29.700 0.020 0.000 0.755 628 E HN 0.338 nan 8.360 nan 0.000 0.447 629 Q N -0.429 119.367 119.800 -0.006 0.000 2.197 629 Q HA -0.129 4.212 4.340 0.001 0.000 0.207 629 Q C 2.097 178.101 176.000 0.006 0.000 0.984 629 Q CA 1.564 57.372 55.803 0.007 0.000 0.869 629 Q CB -0.534 28.209 28.738 0.008 0.000 0.906 629 Q HN 0.472 nan 8.270 nan 0.000 0.426 630 G N 0.565 109.354 108.800 -0.018 0.000 2.459 630 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 630 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 630 G C 1.308 176.199 174.900 -0.014 0.000 1.183 630 G CA 0.739 45.824 45.100 -0.025 0.000 0.776 630 G HN 0.246 nan 8.290 nan 0.000 0.552 631 L N 0.227 121.445 121.223 -0.009 0.000 2.093 631 L HA -0.017 4.323 4.340 0.001 0.000 0.208 631 L C 3.091 179.967 176.870 0.010 0.000 1.085 631 L CA 1.009 55.849 54.840 0.001 0.000 0.755 631 L CB -0.267 41.803 42.059 0.018 0.000 0.904 631 L HN 0.222 nan 8.230 nan 0.000 0.435 632 S N -0.590 115.123 115.700 0.022 0.000 2.447 632 S HA 0.005 4.476 4.470 0.001 0.000 0.233 632 S C 1.015 175.651 174.600 0.060 0.000 1.006 632 S CA 0.545 58.766 58.200 0.035 0.000 0.957 632 S CB -0.227 62.993 63.200 0.034 0.000 0.773 632 S HN 0.486 nan 8.310 nan 0.000 0.507 633 G N -0.937 107.904 108.800 0.068 0.000 2.504 633 G HA2 0.395 4.356 3.960 0.001 0.000 0.288 633 G HA3 0.395 4.356 3.960 0.001 0.000 0.288 633 G C -0.626 174.387 174.900 0.189 0.000 1.182 633 G CA -0.646 44.528 45.100 0.123 0.000 0.894 633 G HN 0.423 nan 8.290 nan 0.000 0.521 634 Y N 0.204 120.555 120.300 0.085 0.000 2.811 634 Y HA -0.089 4.462 4.550 0.001 0.000 0.334 634 Y C 2.423 178.348 175.900 0.040 0.000 1.247 634 Y CA 0.475 58.633 58.100 0.096 0.000 1.526 634 Y CB 0.952 39.514 38.460 0.170 0.000 1.284 634 Y HN 0.707 nan 8.280 nan 0.000 0.586 635 T N 2.100 116.595 114.554 -0.099 0.000 2.915 635 T HA -0.163 4.187 4.350 0.001 0.000 0.269 635 T C 0.323 174.818 174.700 -0.342 0.000 1.071 635 T CA 0.593 62.514 62.100 -0.298 0.000 1.132 635 T CB -0.382 68.238 68.868 -0.414 0.000 0.878 635 T HN 0.460 nan 8.240 nan 0.000 0.479 636 Y N 1.340 121.471 120.300 -0.282 0.000 2.335 636 Y HA 0.460 5.011 4.550 0.001 0.000 0.348 636 Y C 1.120 177.010 175.900 -0.017 0.000 1.280 636 Y CA -1.242 56.734 58.100 -0.206 0.000 1.504 636 Y CB 0.187 38.302 38.460 -0.575 0.000 1.366 636 Y HN 0.084 nan 8.280 nan 0.000 0.621 637 L N 1.246 122.586 121.223 0.196 0.000 2.454 637 L HA 0.273 4.614 4.340 0.001 0.000 0.256 637 L C 0.307 177.274 176.870 0.162 0.000 1.136 637 L CA -0.808 54.125 54.840 0.154 0.000 0.804 637 L CB 0.648 42.782 42.059 0.126 0.000 1.181 637 L HN 0.618 nan 8.230 nan 0.000 0.469 638 E N 1.341 121.619 120.200 0.131 0.000 2.156 638 E HA 0.104 4.455 4.350 0.001 0.000 0.279 638 E C -0.740 175.926 176.600 0.109 0.000 0.965 638 E CA -0.750 55.725 56.400 0.126 0.000 0.789 638 E CB 1.207 30.970 29.700 0.105 0.000 1.098 638 E HN 0.475 nan 8.360 nan 0.000 0.397 639 D N 0.000 120.472 120.400 0.119 0.000 6.856 639 D HA 0.000 4.641 4.640 0.001 0.000 0.175 639 D CA 0.000 54.069 54.000 0.115 0.000 0.868 639 D CB 0.000 40.863 40.800 0.105 0.000 0.688 639 D HN 0.000 nan 8.370 nan 0.000 0.683