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 2wtu_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGAAD XXXXXXXXFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 -0.000 0.000 1.055 2 S CA 0.000 58.202 58.200 0.003 0.000 1.107 2 S CB 0.000 63.203 63.200 0.005 0.000 0.593 3 A N 5.223 128.042 122.820 -0.002 0.000 2.363 3 A HA 0.668 4.987 4.320 -0.001 0.000 0.270 3 A C 0.311 177.889 177.584 -0.010 0.000 1.121 3 A CA -0.506 51.525 52.037 -0.009 0.000 0.800 3 A CB 0.050 19.041 19.000 -0.016 0.000 1.052 3 A HN 0.874 nan 8.150 nan 0.000 0.493 4 I N 1.843 122.405 120.570 -0.014 0.000 2.471 4 I HA 0.115 4.285 4.170 -0.001 0.000 0.286 4 I C 0.243 176.344 176.117 -0.027 0.000 1.079 4 I CA 0.464 61.757 61.300 -0.011 0.000 1.398 4 I CB 0.658 38.654 38.000 -0.006 0.000 1.403 4 I HN 0.680 nan 8.210 nan 0.000 0.530 5 E N 5.830 126.020 120.200 -0.016 0.000 2.256 5 E HA 0.163 4.512 4.350 -0.001 0.000 0.243 5 E C -0.859 175.752 176.600 0.018 0.000 0.925 5 E CA -0.647 55.722 56.400 -0.050 0.000 0.748 5 E CB 0.790 30.487 29.700 -0.004 0.000 1.206 5 E HN 0.613 nan 8.360 nan 0.000 0.428 6 N N 1.006 119.708 118.700 0.002 0.000 2.503 6 N HA 0.038 4.777 4.740 -0.001 0.000 0.267 6 N C 0.467 176.082 175.510 0.176 0.000 1.214 6 N CA -0.468 52.635 53.050 0.088 0.000 0.959 6 N CB 0.822 39.349 38.487 0.067 0.000 1.142 6 N HN 0.289 nan 8.380 nan 0.000 0.455 7 F N 0.451 120.469 119.950 0.114 0.000 2.091 7 F HA -0.263 4.264 4.527 -0.001 0.000 0.299 7 F C 1.386 177.280 175.800 0.157 0.000 1.103 7 F CA 1.586 59.690 58.000 0.173 0.000 1.228 7 F CB 0.108 39.158 39.000 0.084 0.000 0.984 7 F HN 0.526 nan 8.300 nan 0.000 0.477 8 D N 0.103 120.734 120.400 0.384 0.000 2.348 8 D HA -0.075 4.565 4.640 -0.001 0.000 0.216 8 D C 2.056 178.437 176.300 0.134 0.000 0.970 8 D CA 0.990 55.135 54.000 0.240 0.000 0.889 8 D CB -0.170 40.704 40.800 0.124 0.000 0.912 8 D HN 0.411 nan 8.370 nan 0.000 0.524 9 A N 0.372 123.229 122.820 0.062 0.000 2.072 9 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 9 A C 0.612 178.124 177.584 -0.120 0.000 1.156 9 A CA 0.284 52.285 52.037 -0.062 0.000 0.701 9 A CB -0.413 18.502 19.000 -0.142 0.000 0.816 9 A HN 0.210 nan 8.150 nan 0.000 0.458 10 H N 0.984 120.056 119.070 0.003 0.000 2.764 10 H HA 0.314 4.869 4.556 -0.001 0.000 0.341 10 H C 0.933 176.252 175.328 -0.016 0.000 1.072 10 H CA 0.781 56.808 56.048 -0.036 0.000 1.444 10 H CB 0.659 30.364 29.762 -0.095 0.000 1.458 10 H HN 0.293 nan 8.280 nan 0.000 0.572 11 T N 1.924 116.524 114.554 0.077 0.000 2.946 11 T HA -0.048 4.301 4.350 -0.001 0.000 0.311 11 T C -1.504 173.230 174.700 0.057 0.000 1.063 11 T CA -1.401 60.721 62.100 0.038 0.000 1.139 11 T CB 0.669 69.532 68.868 -0.008 0.000 0.994 11 T HN 0.405 nan 8.240 nan 0.000 0.547 12 P HA -0.308 nan 4.420 nan 0.000 0.222 12 P C 1.734 179.083 177.300 0.083 0.000 1.155 12 P CA 1.774 64.922 63.100 0.080 0.000 0.890 12 P CB -0.167 31.571 31.700 0.063 0.000 0.790 13 M N -1.978 117.657 119.600 0.058 0.000 2.065 13 M HA -0.198 4.281 4.480 -0.001 0.000 0.259 13 M C 1.736 178.057 176.300 0.036 0.000 1.071 13 M CA 2.365 57.707 55.300 0.070 0.000 1.109 13 M CB -0.466 32.149 32.600 0.026 0.000 1.313 13 M HN -0.185 nan 8.290 nan 0.000 0.408 14 M N 0.411 119.977 119.600 -0.057 0.000 2.358 14 M HA -0.161 4.318 4.480 -0.001 0.000 0.264 14 M C 1.955 178.193 176.300 -0.104 0.000 1.064 14 M CA 1.575 56.795 55.300 -0.132 0.000 1.093 14 M CB -1.436 31.072 32.600 -0.152 0.000 1.401 14 M HN 0.487 nan 8.290 nan 0.000 0.440 15 Q N -0.502 119.277 119.800 -0.034 0.000 2.079 15 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 15 Q C 2.085 178.123 176.000 0.063 0.000 0.974 15 Q CA 1.147 56.925 55.803 -0.041 0.000 0.840 15 Q CB -0.215 28.639 28.738 0.194 0.000 0.898 15 Q HN 0.602 nan 8.270 nan 0.000 0.430 16 Q N -0.279 119.603 119.800 0.137 0.000 2.230 16 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 16 Q C 1.726 177.857 176.000 0.219 0.000 0.963 16 Q CA 0.880 56.803 55.803 0.200 0.000 0.866 16 Q CB 0.054 28.944 28.738 0.254 0.000 0.931 16 Q HN 0.398 nan 8.270 nan 0.000 0.452 17 Y N 0.596 120.888 120.300 -0.013 0.000 2.133 17 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 17 Y C 1.750 177.608 175.900 -0.071 0.000 1.134 17 Y CA 1.605 59.610 58.100 -0.158 0.000 1.133 17 Y CB -0.193 38.033 38.460 -0.391 0.000 0.987 17 Y HN 0.047 nan 8.280 nan 0.000 0.502 18 L N -0.235 120.954 121.223 -0.057 0.000 2.093 18 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 18 L C 2.633 179.412 176.870 -0.153 0.000 1.085 18 L CA 1.243 55.976 54.840 -0.177 0.000 0.755 18 L CB -0.480 41.379 42.059 -0.333 0.000 0.904 18 L HN 0.112 nan 8.230 nan 0.000 0.435 19 R N -0.129 120.337 120.500 -0.056 0.000 2.189 19 R HA -0.076 4.264 4.340 -0.001 0.000 0.223 19 R C 2.165 178.464 176.300 -0.002 0.000 1.092 19 R CA 0.891 57.014 56.100 0.039 0.000 0.989 19 R CB 0.001 30.397 30.300 0.160 0.000 0.876 19 R HN 0.374 nan 8.270 nan 0.000 0.457 20 L N -0.208 121.000 121.223 -0.025 0.000 2.168 20 L HA -0.076 4.263 4.340 -0.001 0.000 0.203 20 L C 2.299 179.136 176.870 -0.056 0.000 1.078 20 L CA 0.827 55.668 54.840 0.001 0.000 0.780 20 L CB -0.192 41.924 42.059 0.095 0.000 0.939 20 L HN -0.036 nan 8.230 nan 0.000 0.451 21 K N 0.958 121.206 120.400 -0.253 0.000 2.097 21 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 21 K C 1.919 178.453 176.600 -0.111 0.000 1.050 21 K CA 1.474 57.616 56.287 -0.242 0.000 0.938 21 K CB -0.296 31.900 32.500 -0.506 0.000 0.718 21 K HN 0.194 nan 8.250 nan 0.000 0.442 22 A N 0.592 123.341 122.820 -0.118 0.000 2.024 22 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 22 A C 1.921 179.439 177.584 -0.110 0.000 1.164 22 A CA 1.634 53.620 52.037 -0.084 0.000 0.643 22 A CB -0.485 18.481 19.000 -0.058 0.000 0.806 22 A HN 0.551 nan 8.150 nan 0.000 0.451 23 Q N -1.163 118.533 119.800 -0.174 0.000 2.378 23 Q HA -0.040 4.300 4.340 -0.001 0.000 0.205 23 Q C -0.180 175.428 176.000 -0.652 0.000 0.954 23 Q CA 0.706 56.286 55.803 -0.373 0.000 0.901 23 Q CB 0.135 28.617 28.738 -0.426 0.000 0.981 23 Q HN 0.793 nan 8.270 nan 0.000 0.483 24 H N -0.974 118.070 119.070 -0.043 0.000 2.616 24 H HA 0.149 4.705 4.556 -0.001 0.000 0.229 24 H C -1.954 173.357 175.328 -0.029 0.000 1.418 24 H CA -1.568 54.458 56.048 -0.037 0.000 1.248 24 H CB 0.870 30.606 29.762 -0.044 0.000 1.822 24 H HN 0.130 nan 8.280 nan 0.000 0.522 25 P HA -0.122 nan 4.420 nan 0.000 0.218 25 P C 1.022 178.350 177.300 0.046 0.000 1.149 25 P CA 1.226 64.342 63.100 0.027 0.000 0.817 25 P CB 0.751 32.455 31.700 0.006 0.000 0.785 26 E N -0.396 119.837 120.200 0.055 0.000 2.201 26 E HA 0.088 4.438 4.350 -0.001 0.000 0.193 26 E C 1.250 177.881 176.600 0.052 0.000 0.957 26 E CA -0.073 56.358 56.400 0.051 0.000 0.858 26 E CB -0.007 29.721 29.700 0.047 0.000 0.816 26 E HN 0.320 nan 8.360 nan 0.000 0.475 27 I N -0.246 120.356 120.570 0.053 0.000 2.713 27 I HA 0.231 4.401 4.170 -0.001 0.000 0.300 27 I C 0.115 176.242 176.117 0.016 0.000 1.009 27 I CA -0.880 60.434 61.300 0.022 0.000 1.305 27 I CB 0.764 38.760 38.000 -0.006 0.000 1.430 27 I HN -0.155 nan 8.210 nan 0.000 0.546 28 L N 3.810 125.027 121.223 -0.010 0.000 2.483 28 L HA 0.127 4.467 4.340 -0.001 0.000 0.275 28 L C -0.260 176.597 176.870 -0.022 0.000 1.220 28 L CA -0.063 54.784 54.840 0.011 0.000 0.833 28 L CB 0.628 42.683 42.059 -0.007 0.000 1.102 28 L HN 0.487 nan 8.230 nan 0.000 0.490 29 L N 3.181 124.461 121.223 0.096 0.000 2.372 29 L HA 0.465 4.804 4.340 -0.001 0.000 0.274 29 L C -0.974 176.115 176.870 0.365 0.000 0.988 29 L CA -0.154 54.762 54.840 0.127 0.000 0.833 29 L CB 1.070 43.198 42.059 0.115 0.000 1.236 29 L HN 0.127 nan 8.230 nan 0.000 0.410 30 F N 5.367 125.336 119.950 0.033 0.000 2.413 30 F HA 0.234 4.761 4.527 -0.001 0.000 0.359 30 F C -0.311 175.660 175.800 0.285 0.000 1.122 30 F CA -0.413 57.635 58.000 0.078 0.000 1.160 30 F CB 0.214 39.097 39.000 -0.195 0.000 1.146 30 F HN 0.410 nan 8.300 nan 0.000 0.514 31 Y N 4.392 124.891 120.300 0.333 0.000 2.434 31 Y HA 0.407 4.956 4.550 -0.001 0.000 0.341 31 Y C 0.411 176.440 175.900 0.216 0.000 0.965 31 Y CA -1.170 57.100 58.100 0.283 0.000 1.205 31 Y CB 0.225 38.872 38.460 0.313 0.000 1.121 31 Y HN 0.465 nan 8.280 nan 0.000 0.507 32 R N 5.556 126.047 120.500 -0.016 0.000 2.404 32 R HA 0.221 4.560 4.340 -0.001 0.000 0.315 32 R C -1.260 174.880 176.300 -0.267 0.000 1.032 32 R CA 0.657 56.580 56.100 -0.295 0.000 0.992 32 R CB -0.220 29.862 30.300 -0.363 0.000 0.959 32 R HN 0.826 nan 8.270 nan 0.000 0.428 33 M N 5.146 124.661 119.600 -0.141 0.000 2.060 33 M HA 0.276 4.755 4.480 -0.001 0.000 0.275 33 M C 0.268 176.552 176.300 -0.027 0.000 0.919 33 M CA 0.112 55.392 55.300 -0.034 0.000 0.970 33 M CB 1.771 34.452 32.600 0.133 0.000 1.670 33 M HN 0.922 nan 8.290 nan 0.000 0.440 34 G N 2.789 111.543 108.800 -0.077 0.000 2.531 34 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.274 34 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.274 34 G C 0.095 174.909 174.900 -0.143 0.000 1.159 34 G CA 0.504 45.565 45.100 -0.064 0.000 0.969 34 G HN 0.636 nan 8.290 nan 0.000 0.554 35 D N 0.295 120.676 120.400 -0.033 0.000 2.349 35 D HA 0.352 4.991 4.640 -0.001 0.000 0.215 35 D C 0.833 177.048 176.300 -0.142 0.000 1.016 35 D CA 0.338 54.253 54.000 -0.141 0.000 0.870 35 D CB 0.009 40.802 40.800 -0.011 0.000 0.917 35 D HN 0.171 nan 8.370 nan 0.000 0.524 36 F N -0.478 119.377 119.950 -0.158 0.000 2.450 36 F HA 0.375 4.902 4.527 -0.001 0.000 0.328 36 F C -0.111 175.521 175.800 -0.281 0.000 1.068 36 F CA -0.868 57.034 58.000 -0.163 0.000 1.007 36 F CB 0.687 39.611 39.000 -0.126 0.000 1.251 36 F HN -0.231 nan 8.300 nan 0.000 0.492 37 Y N 1.055 121.346 120.300 -0.015 0.000 2.369 37 Y HA 0.372 4.921 4.550 -0.001 0.000 0.337 37 Y C 0.017 175.792 175.900 -0.208 0.000 0.961 37 Y CA -0.731 57.287 58.100 -0.137 0.000 1.186 37 Y CB 0.781 39.028 38.460 -0.355 0.000 1.139 37 Y HN 0.463 nan 8.280 nan 0.000 0.494 38 E N 2.646 122.850 120.200 0.005 0.000 2.318 38 E HA 0.609 4.958 4.350 -0.001 0.000 0.265 38 E C -1.213 175.187 176.600 -0.333 0.000 1.069 38 E CA -0.286 55.956 56.400 -0.264 0.000 0.893 38 E CB 0.897 30.340 29.700 -0.427 0.000 1.076 38 E HN 0.508 nan 8.360 nan 0.000 0.414 39 L N 1.861 122.758 121.223 -0.544 0.000 2.371 39 L HA 0.599 4.939 4.340 -0.001 0.000 0.262 39 L C -1.151 175.334 176.870 -0.642 0.000 1.006 39 L CA -0.702 53.925 54.840 -0.355 0.000 0.818 39 L CB 1.102 43.109 42.059 -0.087 0.000 1.354 39 L HN 0.405 nan 8.230 nan 0.000 0.415 40 F N 0.408 120.361 119.950 0.004 0.000 2.599 40 F HA 0.641 5.167 4.527 -0.001 0.000 0.311 40 F C 0.025 175.855 175.800 0.049 0.000 1.076 40 F CA -1.011 56.873 58.000 -0.194 0.000 0.937 40 F CB 1.204 39.816 39.000 -0.647 0.000 1.282 40 F HN 0.388 nan 8.300 nan 0.000 0.460 41 Y N -0.154 120.247 120.300 0.167 0.000 2.875 41 Y HA -0.429 4.121 4.550 -0.001 0.000 0.467 41 Y C 1.877 177.831 175.900 0.091 0.000 1.183 41 Y CA 1.032 59.189 58.100 0.095 0.000 2.568 41 Y CB -1.203 37.308 38.460 0.086 0.000 1.216 41 Y HN 0.615 nan 8.280 nan 0.000 0.629 42 D N 0.146 120.726 120.400 0.299 0.000 2.104 42 D HA -0.164 4.476 4.640 -0.001 0.000 0.194 42 D C 1.412 177.806 176.300 0.156 0.000 0.994 42 D CA 1.965 56.070 54.000 0.175 0.000 0.830 42 D CB -0.495 40.385 40.800 0.132 0.000 0.959 42 D HN 0.497 nan 8.370 nan 0.000 0.452 43 D N 0.889 121.405 120.400 0.194 0.000 2.172 43 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 43 D C 2.017 178.391 176.300 0.125 0.000 0.999 43 D CA 1.482 55.584 54.000 0.170 0.000 0.856 43 D CB -0.287 40.651 40.800 0.230 0.000 0.934 43 D HN 0.211 nan 8.370 nan 0.000 0.453 44 A N 0.416 123.300 122.820 0.107 0.000 1.872 44 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 44 A C 2.045 179.657 177.584 0.047 0.000 1.187 44 A CA 1.270 53.331 52.037 0.040 0.000 0.614 44 A CB -0.254 18.750 19.000 0.007 0.000 0.826 44 A HN 0.101 nan 8.150 nan 0.000 0.442 45 K N -0.692 119.748 120.400 0.068 0.000 2.002 45 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 45 K C 2.431 179.066 176.600 0.059 0.000 1.048 45 K CA 1.597 57.919 56.287 0.058 0.000 0.930 45 K CB -0.225 32.315 32.500 0.067 0.000 0.714 45 K HN 0.423 nan 8.250 nan 0.000 0.438 46 R N 0.738 121.281 120.500 0.072 0.000 2.083 46 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 46 R C 2.219 178.562 176.300 0.071 0.000 1.137 46 R CA 1.603 57.745 56.100 0.069 0.000 0.951 46 R CB -0.274 30.070 30.300 0.074 0.000 0.851 46 R HN 0.227 nan 8.270 nan 0.000 0.434 47 A N -0.102 122.766 122.820 0.081 0.000 1.972 47 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 47 A C 2.140 179.766 177.584 0.069 0.000 1.169 47 A CA 1.790 53.882 52.037 0.092 0.000 0.635 47 A CB -0.712 18.355 19.000 0.111 0.000 0.810 47 A HN 0.516 nan 8.150 nan 0.000 0.446 48 S N -0.506 115.222 115.700 0.047 0.000 2.370 48 S HA -0.272 4.197 4.470 -0.001 0.000 0.226 48 S C 2.102 176.732 174.600 0.050 0.000 1.033 48 S CA 1.930 60.152 58.200 0.037 0.000 1.011 48 S CB -0.367 62.848 63.200 0.025 0.000 0.852 48 S HN 0.704 nan 8.310 nan 0.000 0.457 49 Q N 0.160 119.992 119.800 0.052 0.000 2.083 49 Q HA 0.142 4.481 4.340 -0.001 0.000 0.198 49 Q C 2.312 178.347 176.000 0.059 0.000 0.969 49 Q CA 1.290 57.124 55.803 0.051 0.000 0.838 49 Q CB -0.248 28.517 28.738 0.047 0.000 0.900 49 Q HN 0.502 nan 8.270 nan 0.000 0.436 50 L N 0.052 121.316 121.223 0.068 0.000 2.275 50 L HA -0.112 4.228 4.340 -0.001 0.000 0.215 50 L C 1.685 178.613 176.870 0.096 0.000 1.119 50 L CA 0.867 55.752 54.840 0.075 0.000 0.790 50 L CB -0.004 42.102 42.059 0.078 0.000 0.919 50 L HN 0.247 nan 8.230 nan 0.000 0.443 51 L N -2.011 119.283 121.223 0.118 0.000 2.817 51 L HA 0.165 4.504 4.340 -0.001 0.000 0.248 51 L C 0.400 177.367 176.870 0.162 0.000 1.133 51 L CA -0.140 54.808 54.840 0.179 0.000 0.935 51 L CB 0.359 42.574 42.059 0.259 0.000 1.266 51 L HN 0.074 nan 8.230 nan 0.000 0.535 52 D N 1.779 122.242 120.400 0.105 0.000 2.981 52 D HA -0.173 4.467 4.640 -0.001 0.000 0.223 52 D C -0.022 176.331 176.300 0.089 0.000 1.151 52 D CA 0.766 54.817 54.000 0.085 0.000 0.827 52 D CB -0.757 40.089 40.800 0.077 0.000 1.101 52 D HN 0.471 nan 8.370 nan 0.000 0.426 53 I N -2.440 118.177 120.570 0.077 0.000 2.498 53 I HA 0.491 4.660 4.170 -0.001 0.000 0.301 53 I C 0.681 176.807 176.117 0.015 0.000 0.984 53 I CA -0.801 60.522 61.300 0.039 0.000 1.204 53 I CB 1.773 39.758 38.000 -0.023 0.000 1.362 53 I HN -0.215 nan 8.210 nan 0.000 0.471 54 S N 4.558 120.261 115.700 0.006 0.000 2.562 54 S HA 0.282 4.751 4.470 -0.001 0.000 0.281 54 S C -0.208 174.382 174.600 -0.016 0.000 1.333 54 S CA -0.461 57.738 58.200 -0.001 0.000 1.052 54 S CB 0.793 63.990 63.200 -0.004 0.000 0.884 54 S HN 0.481 nan 8.310 nan 0.000 0.506 55 L N 3.125 124.342 121.223 -0.010 0.000 2.357 55 L HA 0.708 5.047 4.340 -0.001 0.000 0.273 55 L C 0.320 177.177 176.870 -0.023 0.000 1.080 55 L CA 0.624 55.455 54.840 -0.015 0.000 0.803 55 L CB 1.626 43.685 42.059 -0.001 0.000 1.174 55 L HN 0.739 nan 8.230 nan 0.000 0.443 56 T N 2.283 116.818 114.554 -0.033 0.000 2.711 56 T HA 0.509 4.859 4.350 -0.001 0.000 0.302 56 T C -1.123 173.552 174.700 -0.043 0.000 1.373 56 T CA -0.754 61.322 62.100 -0.039 0.000 1.000 56 T CB 1.013 69.849 68.868 -0.054 0.000 1.483 56 T HN 0.616 nan 8.240 nan 0.000 0.499 57 K N 0.774 121.144 120.400 -0.049 0.000 2.139 57 K HA 0.699 5.018 4.320 -0.001 0.000 0.243 57 K C -0.384 176.176 176.600 -0.067 0.000 0.983 57 K CA -0.900 55.350 56.287 -0.061 0.000 0.890 57 K CB 1.084 33.550 32.500 -0.057 0.000 1.090 57 K HN 0.352 nan 8.250 nan 0.000 0.445 58 R N 0.518 120.962 120.500 -0.093 0.000 2.483 58 R HA 0.269 4.608 4.340 -0.001 0.000 0.303 58 R C -0.622 175.603 176.300 -0.125 0.000 0.987 58 R CA -0.518 55.521 56.100 -0.102 0.000 0.881 58 R CB 1.613 31.849 30.300 -0.107 0.000 1.177 58 R HN 0.913 nan 8.270 nan 0.000 0.451 59 G N 1.911 110.654 108.800 -0.095 0.000 2.432 59 G HA2 0.380 4.339 3.960 -0.001 0.000 0.239 59 G HA3 0.380 4.339 3.960 -0.001 0.000 0.239 59 G C -0.623 174.222 174.900 -0.092 0.000 1.291 59 G CA -0.124 44.926 45.100 -0.083 0.000 0.863 59 G HN 0.620 nan 8.290 nan 0.000 0.560 60 A N 1.994 124.766 122.820 -0.080 0.000 2.380 60 A HA 0.738 5.057 4.320 -0.001 0.000 0.315 60 A C 1.119 178.670 177.584 -0.055 0.000 1.101 60 A CA -0.028 51.965 52.037 -0.073 0.000 0.771 60 A CB 1.591 20.544 19.000 -0.078 0.000 1.287 60 A HN 0.661 nan 8.150 nan 0.000 0.436 61 S N 0.195 115.866 115.700 -0.049 0.000 2.404 61 S HA 0.123 4.592 4.470 -0.001 0.000 0.216 61 S C 1.266 175.843 174.600 -0.037 0.000 1.039 61 S CA 1.576 59.753 58.200 -0.039 0.000 1.062 61 S CB -0.270 62.909 63.200 -0.034 0.000 1.046 61 S HN 1.262 nan 8.310 nan 0.000 0.415 62 A N -0.324 122.472 122.820 -0.041 0.000 2.256 62 A HA 0.665 4.984 4.320 -0.001 0.000 0.318 62 A C 0.569 178.126 177.584 -0.046 0.000 1.103 62 A CA 0.016 52.029 52.037 -0.040 0.000 0.860 62 A CB 0.029 19.006 19.000 -0.039 0.000 1.182 62 A HN 1.332 nan 8.150 nan 0.000 0.501 63 G N -0.165 108.611 108.800 -0.040 0.000 2.787 63 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.685 63 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.685 63 G C -0.511 174.371 174.900 -0.031 0.000 1.437 63 G CA -0.121 44.957 45.100 -0.037 0.000 0.872 63 G HN 0.994 nan 8.290 nan 0.000 0.566 64 E N 1.890 122.079 120.200 -0.018 0.000 2.413 64 E HA 0.295 4.644 4.350 -0.001 0.000 0.263 64 E C -1.443 175.138 176.600 -0.032 0.000 1.015 64 E CA -0.511 55.880 56.400 -0.015 0.000 0.916 64 E CB 0.489 30.192 29.700 0.004 0.000 0.947 64 E HN 0.494 nan 8.360 nan 0.000 0.440 65 P HA 0.068 nan 4.420 nan 0.000 0.272 65 P C -0.447 176.781 177.300 -0.119 0.000 1.223 65 P CA 0.111 63.161 63.100 -0.083 0.000 0.784 65 P CB 0.613 32.270 31.700 -0.072 0.000 0.923 66 I N 3.166 123.606 120.570 -0.217 0.000 2.395 66 I HA 0.178 4.347 4.170 -0.001 0.000 0.289 66 I C -2.000 173.943 176.117 -0.291 0.000 1.023 66 I CA -2.383 58.676 61.300 -0.401 0.000 1.350 66 I CB 0.795 38.374 38.000 -0.702 0.000 1.409 66 I HN 0.140 nan 8.210 nan 0.000 0.507 67 P HA 0.169 nan 4.420 nan 0.000 0.268 67 P C -0.787 176.497 177.300 -0.027 0.000 1.205 67 P CA -0.151 62.889 63.100 -0.099 0.000 0.771 67 P CB 0.643 32.325 31.700 -0.029 0.000 0.858 68 M N 2.182 121.783 119.600 0.001 0.000 2.421 68 M HA 0.720 5.200 4.480 -0.001 0.000 0.287 68 M C -1.939 174.311 176.300 -0.084 0.000 1.183 68 M CA -0.568 54.732 55.300 -0.001 0.000 0.916 68 M CB 2.291 34.936 32.600 0.074 0.000 1.701 68 M HN 0.431 nan 8.290 nan 0.000 0.470 69 A N 2.211 124.937 122.820 -0.157 0.000 2.532 69 A HA 1.073 5.392 4.320 -0.001 0.000 0.290 69 A C -0.730 176.728 177.584 -0.211 0.000 1.143 69 A CA -0.183 51.767 52.037 -0.145 0.000 0.728 69 A CB 1.930 20.874 19.000 -0.094 0.000 1.317 69 A HN 1.213 nan 8.150 nan 0.000 0.414 70 G N -1.136 107.558 108.800 -0.177 0.000 2.466 70 G HA2 0.663 4.623 3.960 -0.001 0.000 0.291 70 G HA3 0.663 4.623 3.960 -0.001 0.000 0.291 70 G C -1.429 173.416 174.900 -0.091 0.000 1.460 70 G CA 0.140 45.142 45.100 -0.164 0.000 0.791 70 G HN 1.788 nan 8.290 nan 0.000 0.505 71 I N -2.623 117.892 120.570 -0.092 0.000 2.913 71 I HA 0.686 4.855 4.170 -0.001 0.000 0.302 71 I C -3.021 172.916 176.117 -0.300 0.000 1.246 71 I CA -2.918 58.244 61.300 -0.229 0.000 1.010 71 I CB 2.559 40.174 38.000 -0.642 0.000 1.259 71 I HN 0.243 nan 8.210 nan 0.000 0.434 72 P HA 0.050 nan 4.420 nan 0.000 0.271 72 P C -0.047 176.937 177.300 -0.527 0.000 1.216 72 P CA -0.045 62.511 63.100 -0.906 0.000 0.776 72 P CB 0.164 31.221 31.700 -1.073 0.000 0.881 73 Y N 2.988 123.011 120.300 -0.462 0.000 2.384 73 Y HA -0.254 4.295 4.550 -0.001 0.000 0.289 73 Y C 1.871 177.767 175.900 -0.008 0.000 1.152 73 Y CA 1.589 59.612 58.100 -0.128 0.000 1.258 73 Y CB -1.494 36.816 38.460 -0.251 0.000 0.979 73 Y HN 0.519 nan 8.280 nan 0.000 0.549 74 H N -1.121 117.573 119.070 -0.627 0.000 2.525 74 H HA 0.439 4.995 4.556 -0.001 0.000 0.275 74 H C 1.710 176.916 175.328 -0.205 0.000 0.984 74 H CA 0.700 56.404 56.048 -0.573 0.000 1.264 74 H CB -0.302 29.072 29.762 -0.648 0.000 1.432 74 H HN 0.425 nan 8.280 nan 0.000 0.549 75 A N 1.726 124.356 122.820 -0.317 0.000 2.251 75 A HA 0.186 4.506 4.320 -0.001 0.000 0.209 75 A C 2.318 179.980 177.584 0.129 0.000 1.187 75 A CA 0.280 52.305 52.037 -0.019 0.000 0.823 75 A CB -0.597 18.419 19.000 0.027 0.000 0.846 75 A HN 0.248 nan 8.150 nan 0.000 0.486 76 V N 0.036 119.994 119.914 0.074 0.000 2.380 76 V HA -0.302 3.818 4.120 -0.001 0.000 0.251 76 V C 2.291 178.489 176.094 0.173 0.000 1.063 76 V CA 2.775 65.164 62.300 0.148 0.000 1.055 76 V CB -0.237 31.656 31.823 0.116 0.000 0.657 76 V HN 0.807 nan 8.190 nan 0.000 0.455 77 E N -0.297 119.957 120.200 0.090 0.000 2.028 77 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 77 E C 2.059 178.674 176.600 0.025 0.000 0.988 77 E CA 1.455 57.882 56.400 0.046 0.000 0.799 77 E CB -0.152 29.556 29.700 0.012 0.000 0.755 77 E HN 0.731 nan 8.360 nan 0.000 0.447 78 N N -0.021 118.662 118.700 -0.027 0.000 2.060 78 N HA -0.225 4.515 4.740 -0.001 0.000 0.195 78 N C 1.780 177.194 175.510 -0.160 0.000 1.028 78 N CA 1.520 54.480 53.050 -0.148 0.000 0.861 78 N CB -0.602 37.704 38.487 -0.302 0.000 1.029 78 N HN 0.333 nan 8.380 nan 0.000 0.428 79 Y N 1.274 121.594 120.300 0.033 0.000 2.263 79 Y HA 0.082 4.631 4.550 -0.001 0.000 0.292 79 Y C 2.525 178.472 175.900 0.078 0.000 1.130 79 Y CA 0.351 58.493 58.100 0.072 0.000 1.179 79 Y CB -0.467 38.057 38.460 0.106 0.000 0.998 79 Y HN -0.026 nan 8.280 nan 0.000 0.532 80 L N -0.860 120.478 121.223 0.192 0.000 2.083 80 L HA -0.254 4.085 4.340 -0.001 0.000 0.209 80 L C 2.639 179.515 176.870 0.009 0.000 1.083 80 L CA 1.059 55.926 54.840 0.044 0.000 0.752 80 L CB -0.726 41.329 42.059 -0.008 0.000 0.899 80 L HN 0.272 nan 8.230 nan 0.000 0.433 81 A N 0.328 123.153 122.820 0.008 0.000 1.883 81 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 81 A C 2.284 179.862 177.584 -0.009 0.000 1.186 81 A CA 1.873 53.901 52.037 -0.014 0.000 0.624 81 A CB -0.375 18.605 19.000 -0.033 0.000 0.822 81 A HN 0.318 nan 8.150 nan 0.000 0.444 82 K N -0.305 120.093 120.400 -0.003 0.000 2.009 82 K HA -0.101 4.218 4.320 -0.001 0.000 0.210 82 K C 1.897 178.510 176.600 0.022 0.000 1.049 82 K CA 1.646 57.938 56.287 0.010 0.000 0.929 82 K CB -0.463 32.053 32.500 0.027 0.000 0.714 82 K HN 0.469 nan 8.250 nan 0.000 0.440 83 L N 0.400 121.643 121.223 0.034 0.000 2.056 83 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 83 L C 2.430 179.294 176.870 -0.010 0.000 1.078 83 L CA 0.717 55.566 54.840 0.014 0.000 0.749 83 L CB -0.416 41.638 42.059 -0.008 0.000 0.901 83 L HN 0.050 nan 8.230 nan 0.000 0.433 84 V N 0.274 120.176 119.914 -0.021 0.000 2.548 84 V HA -0.164 3.955 4.120 -0.001 0.000 0.249 84 V C 1.810 177.898 176.094 -0.009 0.000 1.055 84 V CA 1.470 63.756 62.300 -0.023 0.000 1.065 84 V CB -0.382 31.422 31.823 -0.030 0.000 0.681 84 V HN 0.501 nan 8.190 nan 0.000 0.462 85 N N -0.156 118.541 118.700 -0.005 0.000 2.398 85 N HA 0.014 4.754 4.740 -0.001 0.000 0.188 85 N C 1.156 176.669 175.510 0.004 0.000 1.122 85 N CA 0.411 53.460 53.050 -0.001 0.000 0.866 85 N CB 0.316 38.801 38.487 -0.004 0.000 0.970 85 N HN 0.627 nan 8.380 nan 0.000 0.462 86 Q N -0.901 118.903 119.800 0.007 0.000 2.179 86 Q HA 0.258 4.597 4.340 -0.001 0.000 0.213 86 Q C 0.541 176.549 176.000 0.013 0.000 0.833 86 Q CA -0.112 55.699 55.803 0.013 0.000 0.990 86 Q CB 0.921 29.671 28.738 0.020 0.000 1.132 86 Q HN 0.264 nan 8.270 nan 0.000 0.493 87 G N 1.029 109.834 108.800 0.008 0.000 2.162 87 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.260 87 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.260 87 G C -0.082 174.824 174.900 0.010 0.000 0.976 87 G CA -0.059 45.047 45.100 0.010 0.000 0.655 87 G HN 0.231 nan 8.290 nan 0.000 0.533 88 E N 0.803 121.004 120.200 0.001 0.000 2.301 88 E HA 0.520 4.870 4.350 -0.001 0.000 0.275 88 E C 0.124 176.703 176.600 -0.035 0.000 1.030 88 E CA -0.068 56.327 56.400 -0.009 0.000 0.852 88 E CB 1.441 31.135 29.700 -0.010 0.000 1.060 88 E HN 0.265 nan 8.360 nan 0.000 0.401 89 S N 0.912 116.589 115.700 -0.038 0.000 2.617 89 S HA 0.544 5.014 4.470 -0.001 0.000 0.283 89 S C -0.130 174.382 174.600 -0.147 0.000 1.189 89 S CA -0.809 57.347 58.200 -0.073 0.000 1.036 89 S CB 1.421 64.603 63.200 -0.029 0.000 1.014 89 S HN 0.244 nan 8.310 nan 0.000 0.522 90 V N 1.148 120.921 119.914 -0.235 0.000 2.709 90 V HA 0.733 4.852 4.120 -0.001 0.000 0.308 90 V C -0.220 175.659 176.094 -0.357 0.000 1.062 90 V CA -1.009 61.067 62.300 -0.373 0.000 0.901 90 V CB 1.671 33.087 31.823 -0.677 0.000 1.003 90 V HN 1.002 nan 8.190 nan 0.000 0.425 91 A N 5.480 128.089 122.820 -0.352 0.000 2.260 91 A HA 0.757 5.077 4.320 -0.001 0.000 0.308 91 A C -0.414 177.021 177.584 -0.249 0.000 1.254 91 A CA -0.408 51.406 52.037 -0.372 0.000 0.874 91 A CB 0.105 18.716 19.000 -0.647 0.000 1.153 91 A HN 0.624 nan 8.150 nan 0.000 0.527 92 I N 2.797 123.253 120.570 -0.190 0.000 2.291 92 I HA 0.159 4.328 4.170 -0.001 0.000 0.292 92 I C 0.219 176.359 176.117 0.038 0.000 1.064 92 I CA -0.381 60.875 61.300 -0.074 0.000 1.269 92 I CB 0.151 38.094 38.000 -0.095 0.000 1.418 92 I HN 0.624 nan 8.210 nan 0.000 0.485 93 C N 7.848 127.232 119.300 0.140 0.000 2.319 93 C HA 0.594 5.054 4.460 -0.001 0.000 0.335 93 C C 0.285 175.347 174.990 0.121 0.000 1.274 93 C CA -0.186 58.900 59.018 0.114 0.000 1.806 93 C CB 0.535 28.358 27.740 0.139 0.000 2.329 93 C HN 0.777 nan 8.230 nan 0.000 0.524 94 E N 2.620 122.843 120.200 0.039 0.000 2.316 94 E HA 0.364 4.714 4.350 -0.001 0.000 0.258 94 E C -1.038 175.508 176.600 -0.090 0.000 0.952 94 E CA -0.557 55.838 56.400 -0.008 0.000 0.818 94 E CB 1.213 30.929 29.700 0.027 0.000 1.260 94 E HN 0.706 nan 8.360 nan 0.000 0.416 95 Q N 0.949 120.684 119.800 -0.109 0.000 2.322 95 Q HA 0.251 4.590 4.340 -0.001 0.000 0.256 95 Q C 0.803 176.766 176.000 -0.061 0.000 0.960 95 Q CA -0.346 55.396 55.803 -0.103 0.000 0.934 95 Q CB 1.238 29.902 28.738 -0.124 0.000 1.200 95 Q HN 0.350 nan 8.270 nan 0.000 0.435 96 I N 1.098 121.643 120.570 -0.041 0.000 2.270 96 I HA 0.017 4.187 4.170 -0.001 0.000 0.239 96 I C 1.331 177.433 176.117 -0.024 0.000 1.080 96 I CA 0.942 62.226 61.300 -0.025 0.000 1.383 96 I CB -1.179 36.813 38.000 -0.013 0.000 1.097 96 I HN 0.647 nan 8.210 nan 0.000 0.420 97 G N 0.887 109.675 108.800 -0.021 0.000 2.653 97 G HA2 0.014 3.974 3.960 -0.001 0.000 0.265 97 G HA3 0.014 3.974 3.960 -0.001 0.000 0.265 97 G C -0.463 174.422 174.900 -0.025 0.000 1.237 97 G CA -0.173 44.917 45.100 -0.017 0.000 0.946 97 G HN 0.245 nan 8.290 nan 0.000 0.522 98 D N 0.186 120.574 120.400 -0.021 0.000 2.313 98 D HA 0.210 4.849 4.640 -0.001 0.000 0.239 98 D C -1.232 175.056 176.300 -0.021 0.000 1.142 98 D CA -1.855 52.130 54.000 -0.024 0.000 0.847 98 D CB 1.921 42.709 40.800 -0.021 0.000 1.082 98 D HN 0.000 nan 8.370 nan 0.000 0.480 99 P HA -0.046 nan 4.420 nan 0.000 0.230 99 P C 0.899 178.191 177.300 -0.014 0.000 1.158 99 P CA 0.387 63.475 63.100 -0.019 0.000 0.769 99 P CB 0.319 32.003 31.700 -0.027 0.000 0.807 100 A N 0.648 123.458 122.820 -0.016 0.000 1.929 100 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 100 A C 1.961 179.540 177.584 -0.008 0.000 1.176 100 A CA 1.931 53.960 52.037 -0.013 0.000 0.628 100 A CB -1.622 17.369 19.000 -0.014 0.000 0.816 100 A HN 0.347 nan 8.150 nan 0.000 0.444 101 T N -2.754 111.795 114.554 -0.008 0.000 3.312 101 T HA 0.388 4.737 4.350 -0.001 0.000 0.251 101 T C 0.134 174.832 174.700 -0.002 0.000 1.012 101 T CA 0.179 62.276 62.100 -0.005 0.000 0.925 101 T CB -0.292 68.573 68.868 -0.006 0.000 1.049 101 T HN 0.031 nan 8.240 nan 0.000 0.583 102 S N 0.567 116.266 115.700 -0.002 0.000 2.605 102 S HA 0.478 4.947 4.470 -0.001 0.000 0.308 102 S C 0.577 175.180 174.600 0.006 0.000 1.113 102 S CA -0.852 57.350 58.200 0.003 0.000 1.049 102 S CB 2.003 65.205 63.200 0.003 0.000 1.001 102 S HN 0.296 nan 8.310 nan 0.000 0.480 103 K N 2.884 123.289 120.400 0.008 0.000 2.098 103 K HA 0.237 4.556 4.320 -0.001 0.000 0.203 103 K C 1.150 177.759 176.600 0.015 0.000 1.051 103 K CA 0.767 57.060 56.287 0.010 0.000 0.957 103 K CB -0.303 32.202 32.500 0.009 0.000 0.738 103 K HN 0.692 nan 8.250 nan 0.000 0.447 104 G N 0.435 109.247 108.800 0.020 0.000 2.535 104 G HA2 0.334 4.294 3.960 -0.001 0.000 0.303 104 G HA3 0.334 4.294 3.960 -0.001 0.000 0.303 104 G C -2.419 172.502 174.900 0.034 0.000 1.237 104 G CA -1.316 43.802 45.100 0.030 0.000 0.986 104 G HN -0.006 nan 8.290 nan 0.000 0.494 105 P HA 0.005 nan 4.420 nan 0.000 0.259 105 P C 0.341 177.669 177.300 0.046 0.000 1.163 105 P CA -0.117 63.020 63.100 0.061 0.000 0.760 105 P CB 0.498 32.255 31.700 0.096 0.000 0.762 106 V N 3.762 123.693 119.914 0.028 0.000 2.763 106 V HA -0.042 4.078 4.120 -0.001 0.000 0.306 106 V C 0.761 176.862 176.094 0.012 0.000 1.059 106 V CA -0.121 62.184 62.300 0.009 0.000 1.138 106 V CB 0.313 32.128 31.823 -0.014 0.000 0.940 106 V HN 0.561 nan 8.190 nan 0.000 0.489 107 E N 5.729 125.934 120.200 0.008 0.000 2.452 107 E HA 0.133 4.482 4.350 -0.001 0.000 0.261 107 E C -0.357 176.241 176.600 -0.003 0.000 0.987 107 E CA 0.081 56.489 56.400 0.013 0.000 0.926 107 E CB 0.418 30.123 29.700 0.009 0.000 0.934 107 E HN 0.628 nan 8.360 nan 0.000 0.452 108 R N 3.600 124.106 120.500 0.009 0.000 2.538 108 R HA 0.365 4.704 4.340 -0.001 0.000 0.292 108 R C -0.769 175.541 176.300 0.017 0.000 1.008 108 R CA -0.702 55.386 56.100 -0.019 0.000 0.896 108 R CB 1.842 32.101 30.300 -0.069 0.000 1.187 108 R HN 0.370 nan 8.270 nan 0.000 0.440 109 K N 1.573 121.977 120.400 0.008 0.000 2.375 109 K HA 0.401 4.720 4.320 -0.001 0.000 0.249 109 K C -0.762 175.860 176.600 0.036 0.000 0.942 109 K CA -0.854 55.451 56.287 0.030 0.000 0.806 109 K CB 2.743 35.254 32.500 0.019 0.000 1.227 109 K HN 0.186 nan 8.250 nan 0.000 0.430 110 V N 3.819 123.768 119.914 0.058 0.000 2.427 110 V HA -0.017 4.102 4.120 -0.001 0.000 0.268 110 V C 1.225 177.328 176.094 0.014 0.000 1.046 110 V CA 0.056 62.379 62.300 0.039 0.000 0.970 110 V CB 0.880 32.741 31.823 0.065 0.000 1.001 110 V HN 0.731 nan 8.190 nan 0.000 0.476 111 V N 3.889 123.804 119.914 0.000 0.000 2.992 111 V HA 0.333 4.452 4.120 -0.001 0.000 0.250 111 V C 0.719 176.794 176.094 -0.031 0.000 1.090 111 V CA 0.841 63.136 62.300 -0.008 0.000 1.101 111 V CB -0.286 31.539 31.823 0.004 0.000 0.743 111 V HN 0.922 nan 8.190 nan 0.000 0.468 112 R N -0.333 120.136 120.500 -0.052 0.000 2.733 112 R HA 0.656 4.996 4.340 -0.001 0.000 0.272 112 R C -1.804 174.419 176.300 -0.129 0.000 1.029 112 R CA -0.990 55.061 56.100 -0.082 0.000 0.888 112 R CB 1.370 31.628 30.300 -0.071 0.000 1.251 112 R HN 0.174 nan 8.270 nan 0.000 0.464 113 I N 2.052 122.531 120.570 -0.151 0.000 2.418 113 I HA 0.296 4.465 4.170 -0.001 0.000 0.287 113 I C -0.317 175.704 176.117 -0.160 0.000 1.008 113 I CA -1.437 59.747 61.300 -0.194 0.000 1.104 113 I CB 2.214 40.077 38.000 -0.228 0.000 1.264 113 I HN 0.322 nan 8.210 nan 0.000 0.438 114 V N 5.129 124.942 119.914 -0.169 0.000 2.508 114 V HA 0.323 4.442 4.120 -0.001 0.000 0.281 114 V C 0.560 176.593 176.094 -0.103 0.000 1.041 114 V CA 0.038 62.259 62.300 -0.131 0.000 1.016 114 V CB 0.927 32.654 31.823 -0.160 0.000 0.984 114 V HN 0.918 nan 8.190 nan 0.000 0.478 115 T N 2.532 117.060 114.554 -0.044 0.000 2.909 115 T HA 0.461 4.811 4.350 -0.001 0.000 0.299 115 T C -2.299 172.411 174.700 0.017 0.000 1.073 115 T CA -2.062 60.045 62.100 0.011 0.000 0.999 115 T CB 2.361 71.300 68.868 0.118 0.000 1.098 115 T HN 0.288 nan 8.240 nan 0.000 0.477 116 P HA -0.003 nan 4.420 nan 0.000 0.219 116 P C 1.511 178.815 177.300 0.008 0.000 1.144 116 P CA 1.336 64.439 63.100 0.006 0.000 0.806 116 P CB -0.179 31.524 31.700 0.006 0.000 0.771 117 G N -1.788 107.024 108.800 0.020 0.000 2.744 117 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.211 117 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.211 117 G C 1.085 175.995 174.900 0.018 0.000 1.146 117 G CA 0.882 45.986 45.100 0.006 0.000 0.787 117 G HN 0.380 nan 8.290 nan 0.000 0.534 118 T N -0.723 113.854 114.554 0.038 0.000 3.085 118 T HA 0.368 4.717 4.350 -0.001 0.000 0.264 118 T C 0.908 175.610 174.700 0.004 0.000 1.019 118 T CA -0.613 61.502 62.100 0.024 0.000 0.910 118 T CB -0.449 68.440 68.868 0.036 0.000 1.059 118 T HN 0.265 nan 8.240 nan 0.000 0.542 119 I N 1.256 121.826 120.570 -0.001 0.000 2.648 119 I HA 0.450 4.620 4.170 -0.001 0.000 0.284 119 I C 0.969 177.085 176.117 -0.001 0.000 1.153 119 I CA -0.422 60.873 61.300 -0.009 0.000 1.426 119 I CB 0.843 38.836 38.000 -0.013 0.000 1.381 119 I HN 0.201 nan 8.210 nan 0.000 0.571 120 S N 1.304 117.002 115.700 -0.003 0.000 2.787 120 S HA 0.242 4.712 4.470 -0.001 0.000 0.255 120 S C -0.066 174.533 174.600 -0.003 0.000 1.051 120 S CA -0.640 57.562 58.200 0.003 0.000 1.124 120 S CB -0.022 63.181 63.200 0.006 0.000 1.104 120 S HN 0.708 nan 8.310 nan 0.000 0.623 121 D N 2.206 122.602 120.400 -0.006 0.000 2.175 121 D HA 0.250 4.889 4.640 -0.001 0.000 0.248 121 D C 0.830 177.126 176.300 -0.005 0.000 1.047 121 D CA -0.360 53.637 54.000 -0.005 0.000 0.883 121 D CB 1.583 42.379 40.800 -0.006 0.000 1.180 121 D HN 0.276 nan 8.370 nan 0.000 0.438 122 E N 1.748 121.946 120.200 -0.004 0.000 2.085 122 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 122 E C 1.551 178.146 176.600 -0.008 0.000 0.994 122 E CA 1.090 57.487 56.400 -0.006 0.000 0.801 122 E CB 0.107 29.804 29.700 -0.006 0.000 0.743 122 E HN 0.527 nan 8.360 nan 0.000 0.453 123 A N 0.110 122.924 122.820 -0.010 0.000 2.225 123 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 123 A C 1.769 179.344 177.584 -0.015 0.000 1.164 123 A CA 0.848 52.877 52.037 -0.013 0.000 0.710 123 A CB -0.188 18.803 19.000 -0.015 0.000 0.780 123 A HN 0.300 nan 8.150 nan 0.000 0.473 124 L N -1.853 119.362 121.223 -0.013 0.000 2.781 124 L HA 0.353 4.692 4.340 -0.001 0.000 0.245 124 L C -0.094 176.770 176.870 -0.010 0.000 1.118 124 L CA -0.145 54.687 54.840 -0.013 0.000 0.918 124 L CB 0.201 42.250 42.059 -0.016 0.000 1.246 124 L HN 0.143 nan 8.230 nan 0.000 0.526 125 L N -0.287 120.932 121.223 -0.008 0.000 2.330 125 L HA 0.416 4.756 4.340 -0.001 0.000 0.271 125 L C -0.179 176.689 176.870 -0.004 0.000 1.013 125 L CA -0.362 54.475 54.840 -0.004 0.000 0.816 125 L CB 1.629 43.686 42.059 -0.002 0.000 1.287 125 L HN -0.012 nan 8.230 nan 0.000 0.435 126 Q N 1.121 120.920 119.800 -0.002 0.000 2.256 126 Q HA 0.162 4.501 4.340 -0.001 0.000 0.254 126 Q C 0.234 176.233 176.000 -0.001 0.000 0.916 126 Q CA -0.334 55.468 55.803 -0.001 0.000 0.932 126 Q CB 2.139 30.877 28.738 0.001 0.000 1.207 126 Q HN 0.565 nan 8.270 nan 0.000 0.426 127 E N 1.865 122.064 120.200 -0.003 0.000 2.028 127 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 127 E C 0.802 177.399 176.600 -0.004 0.000 0.988 127 E CA 0.894 57.291 56.400 -0.005 0.000 0.799 127 E CB 0.267 29.963 29.700 -0.007 0.000 0.755 127 E HN 0.371 nan 8.360 nan 0.000 0.447 128 R N 0.690 121.189 120.500 -0.002 0.000 2.404 128 R HA 0.123 4.462 4.340 -0.001 0.000 0.236 128 R C 0.068 176.372 176.300 0.006 0.000 1.044 128 R CA 0.243 56.342 56.100 -0.001 0.000 1.133 128 R CB 0.200 30.500 30.300 0.001 0.000 1.142 128 R HN 0.207 nan 8.270 nan 0.000 0.512 129 Q N 0.054 119.857 119.800 0.006 0.000 2.309 129 Q HA 0.168 4.507 4.340 -0.001 0.000 0.273 129 Q C -1.398 174.608 176.000 0.011 0.000 1.040 129 Q CA -0.740 55.071 55.803 0.013 0.000 0.834 129 Q CB 2.520 31.267 28.738 0.013 0.000 1.345 129 Q HN 0.016 nan 8.270 nan 0.000 0.414 130 D N 1.226 121.635 120.400 0.015 0.000 2.368 130 D HA 0.105 4.744 4.640 -0.001 0.000 0.240 130 D C -0.543 175.763 176.300 0.011 0.000 1.169 130 D CA 0.404 54.413 54.000 0.015 0.000 0.906 130 D CB 0.655 41.468 40.800 0.021 0.000 1.187 130 D HN 0.406 nan 8.370 nan 0.000 0.435 131 N N 0.863 119.569 118.700 0.010 0.000 2.607 131 N HA 0.268 5.007 4.740 -0.001 0.000 0.271 131 N C -1.338 174.174 175.510 0.003 0.000 1.142 131 N CA -0.306 52.748 53.050 0.006 0.000 0.810 131 N CB 0.482 38.971 38.487 0.004 0.000 1.306 131 N HN 0.169 nan 8.380 nan 0.000 0.536 132 L N 1.811 123.035 121.223 0.003 0.000 2.360 132 L HA 0.585 4.924 4.340 -0.001 0.000 0.271 132 L C -0.454 176.403 176.870 -0.022 0.000 1.057 132 L CA -1.182 53.655 54.840 -0.005 0.000 0.803 132 L CB 1.293 43.357 42.059 0.009 0.000 1.207 132 L HN 0.359 nan 8.230 nan 0.000 0.445 133 L N 2.139 123.334 121.223 -0.048 0.000 2.317 133 L HA 0.832 5.171 4.340 -0.001 0.000 0.281 133 L C -0.454 176.347 176.870 -0.115 0.000 1.024 133 L CA 0.075 54.864 54.840 -0.086 0.000 0.810 133 L CB 1.446 43.446 42.059 -0.098 0.000 1.240 133 L HN 0.697 nan 8.230 nan 0.000 0.427 134 A N 3.869 126.608 122.820 -0.136 0.000 2.498 134 A HA 0.976 5.295 4.320 -0.001 0.000 0.298 134 A C -1.344 176.141 177.584 -0.164 0.000 1.075 134 A CA -0.164 51.752 52.037 -0.202 0.000 0.714 134 A CB 1.615 20.504 19.000 -0.185 0.000 1.299 134 A HN 1.128 nan 8.150 nan 0.000 0.407 135 A N 0.692 123.405 122.820 -0.178 0.000 2.386 135 A HA 0.794 5.114 4.320 -0.001 0.000 0.311 135 A C -1.164 176.495 177.584 0.124 0.000 1.068 135 A CA -0.371 51.674 52.037 0.013 0.000 0.743 135 A CB 0.978 20.015 19.000 0.063 0.000 1.258 135 A HN 1.590 nan 8.150 nan 0.000 0.429 136 I N 2.022 122.724 120.570 0.220 0.000 2.582 136 I HA 0.778 4.947 4.170 -0.001 0.000 0.292 136 I C -1.524 174.665 176.117 0.120 0.000 1.066 136 I CA -0.596 60.841 61.300 0.228 0.000 1.053 136 I CB 1.530 39.557 38.000 0.046 0.000 1.241 136 I HN 0.758 nan 8.210 nan 0.000 0.421 137 W N 8.811 130.130 121.300 0.031 0.000 3.405 137 W HA 0.438 5.097 4.660 -0.001 0.000 0.329 137 W C -2.217 174.363 176.519 0.103 0.000 1.142 137 W CA -0.675 56.602 57.345 -0.113 0.000 1.235 137 W CB 1.498 30.799 29.460 -0.265 0.000 1.341 137 W HN 0.674 nan 8.180 nan 0.000 0.481 138 Q N 4.733 124.220 119.800 -0.522 0.000 2.325 138 Q HA 0.175 4.515 4.340 -0.001 0.000 0.262 138 Q C -0.489 174.736 176.000 -1.291 0.000 0.968 138 Q CA -0.179 55.087 55.803 -0.895 0.000 0.877 138 Q CB 1.730 29.959 28.738 -0.847 0.000 1.253 138 Q HN 0.533 nan 8.270 nan 0.000 0.448 139 D N 0.774 120.540 120.400 -1.056 0.000 2.466 139 D HA 0.095 4.734 4.640 -0.001 0.000 0.262 139 D C 0.666 176.683 176.300 -0.473 0.000 1.177 139 D CA 0.083 53.636 54.000 -0.744 0.000 1.035 139 D CB 1.418 42.020 40.800 -0.331 0.000 1.105 139 D HN 0.712 nan 8.370 nan 0.000 0.551 140 S N 0.298 115.834 115.700 -0.272 0.000 2.500 140 S HA -0.120 4.349 4.470 -0.001 0.000 0.239 140 S C 1.175 175.675 174.600 -0.166 0.000 0.989 140 S CA 1.006 59.093 58.200 -0.188 0.000 0.951 140 S CB 0.084 63.225 63.200 -0.097 0.000 0.759 140 S HN 0.417 nan 8.310 nan 0.000 0.523 141 K N -0.040 120.259 120.400 -0.168 0.000 2.443 141 K HA 0.432 4.751 4.320 -0.001 0.000 0.200 141 K C 1.146 177.667 176.600 -0.131 0.000 1.278 141 K CA 0.442 56.660 56.287 -0.115 0.000 0.925 141 K CB 0.820 33.289 32.500 -0.052 0.000 1.225 141 K HN 0.342 nan 8.250 nan 0.000 0.514 142 G N -0.122 108.566 108.800 -0.187 0.000 2.827 142 G HA2 0.491 4.450 3.960 -0.001 0.000 0.202 142 G HA3 0.491 4.450 3.960 -0.001 0.000 0.202 142 G C -1.578 173.094 174.900 -0.380 0.000 1.185 142 G CA -0.663 44.344 45.100 -0.155 0.000 0.920 142 G HN -0.018 nan 8.290 nan 0.000 0.550 143 F N -0.026 119.908 119.950 -0.026 0.000 2.561 143 F HA 0.700 5.226 4.527 -0.001 0.000 0.321 143 F C 0.578 176.465 175.800 0.145 0.000 1.065 143 F CA -0.415 57.600 58.000 0.025 0.000 0.934 143 F CB 2.837 41.869 39.000 0.054 0.000 1.215 143 F HN 0.631 nan 8.300 nan 0.000 0.471 144 G N 1.306 110.380 108.800 0.457 0.000 2.666 144 G HA2 0.517 4.477 3.960 -0.001 0.000 0.303 144 G HA3 0.517 4.477 3.960 -0.001 0.000 0.303 144 G C -2.601 172.600 174.900 0.501 0.000 1.412 144 G CA -0.535 44.867 45.100 0.503 0.000 0.979 144 G HN 0.528 nan 8.290 nan 0.000 0.507 145 Y N 1.836 122.276 120.300 0.234 0.000 2.421 145 Y HA 0.716 5.265 4.550 -0.001 0.000 0.339 145 Y C -0.497 175.481 175.900 0.130 0.000 0.996 145 Y CA -0.848 57.354 58.100 0.170 0.000 1.046 145 Y CB 2.097 40.629 38.460 0.119 0.000 1.226 145 Y HN 0.875 nan 8.280 nan 0.000 0.445 146 A N 3.059 125.638 122.820 -0.403 0.000 2.469 146 A HA 0.886 5.205 4.320 -0.001 0.000 0.299 146 A C -0.963 176.364 177.584 -0.428 0.000 1.098 146 A CA -0.321 51.556 52.037 -0.266 0.000 0.737 146 A CB 1.400 20.393 19.000 -0.012 0.000 1.312 146 A HN 0.881 nan 8.150 nan 0.000 0.414 147 T N -1.026 113.441 114.554 -0.145 0.000 2.909 147 T HA 0.685 5.034 4.350 -0.001 0.000 0.299 147 T C -1.150 173.616 174.700 0.110 0.000 1.073 147 T CA -0.589 61.461 62.100 -0.083 0.000 0.999 147 T CB 1.357 70.195 68.868 -0.051 0.000 1.098 147 T HN 1.257 nan 8.240 nan 0.000 0.477 148 L N 1.415 122.641 121.223 0.005 0.000 2.401 148 L HA 0.690 5.030 4.340 -0.001 0.000 0.266 148 L C -1.397 175.448 176.870 -0.041 0.000 0.991 148 L CA -0.391 54.421 54.840 -0.046 0.000 0.818 148 L CB 2.218 44.114 42.059 -0.272 0.000 1.321 148 L HN 0.867 nan 8.230 nan 0.000 0.413 149 D N 4.378 124.764 120.400 -0.023 0.000 2.540 149 D HA 0.140 4.780 4.640 -0.001 0.000 0.251 149 D C 1.251 177.539 176.300 -0.021 0.000 1.159 149 D CA -0.020 53.976 54.000 -0.006 0.000 0.974 149 D CB 0.354 41.170 40.800 0.027 0.000 0.996 149 D HN 0.685 nan 8.370 nan 0.000 0.512 150 I N 1.759 122.308 120.570 -0.035 0.000 2.315 150 I HA -0.266 3.904 4.170 -0.001 0.000 0.251 150 I C 1.709 177.893 176.117 0.113 0.000 1.125 150 I CA 1.245 62.536 61.300 -0.016 0.000 1.392 150 I CB 0.235 38.231 38.000 -0.006 0.000 1.065 150 I HN 0.271 nan 8.210 nan 0.000 0.424 151 S N -1.398 114.350 115.700 0.080 0.000 2.754 151 S HA 0.053 4.523 4.470 -0.001 0.000 0.223 151 S C 1.146 175.811 174.600 0.109 0.000 0.951 151 S CA 0.395 58.652 58.200 0.093 0.000 0.954 151 S CB -0.131 63.094 63.200 0.043 0.000 0.780 151 S HN 0.589 nan 8.310 nan 0.000 0.509 152 S N -1.930 113.849 115.700 0.131 0.000 2.475 152 S HA 0.467 4.936 4.470 -0.001 0.000 0.270 152 S C 1.367 176.038 174.600 0.118 0.000 1.026 152 S CA 0.559 58.837 58.200 0.131 0.000 1.437 152 S CB -0.272 62.972 63.200 0.073 0.000 1.215 152 S HN 1.512 nan 8.310 nan 0.000 0.648 153 G N 2.025 110.833 108.800 0.014 0.000 2.241 153 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.244 153 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.244 153 G C 0.096 175.010 174.900 0.023 0.000 0.998 153 G CA -0.065 44.974 45.100 -0.102 0.000 0.621 153 G HN 0.633 nan 8.290 nan 0.000 0.519 154 R N 0.242 120.781 120.500 0.066 0.000 2.561 154 R HA 0.320 4.660 4.340 -0.001 0.000 0.347 154 R C -0.692 175.714 176.300 0.176 0.000 0.916 154 R CA 0.188 56.354 56.100 0.110 0.000 1.063 154 R CB -0.173 30.181 30.300 0.089 0.000 0.916 154 R HN 0.172 nan 8.270 nan 0.000 0.410 155 F N 4.606 124.551 119.950 -0.008 0.000 2.500 155 F HA 0.419 4.945 4.527 -0.001 0.000 0.349 155 F C -0.626 175.165 175.800 -0.016 0.000 1.127 155 F CA -1.252 56.738 58.000 -0.016 0.000 0.998 155 F CB 0.520 39.524 39.000 0.006 0.000 1.237 155 F HN 0.309 nan 8.300 nan 0.000 0.439 156 R N 5.047 125.597 120.500 0.083 0.000 2.902 156 R HA 0.720 5.060 4.340 -0.001 0.000 0.258 156 R C -1.602 174.620 176.300 -0.129 0.000 1.071 156 R CA -1.191 54.867 56.100 -0.069 0.000 1.024 156 R CB 2.543 32.857 30.300 0.023 0.000 1.184 156 R HN 0.809 nan 8.270 nan 0.000 0.492 157 L N 0.113 121.277 121.223 -0.099 0.000 2.526 157 L HA 0.463 4.803 4.340 -0.001 0.000 0.263 157 L C -1.155 175.729 176.870 0.023 0.000 0.943 157 L CA -0.242 54.561 54.840 -0.061 0.000 0.859 157 L CB 2.080 44.059 42.059 -0.133 0.000 1.313 157 L HN 0.903 nan 8.230 nan 0.000 0.406 158 S N 2.282 118.041 115.700 0.098 0.000 2.627 158 S HA 0.612 5.081 4.470 -0.001 0.000 0.283 158 S C -1.034 173.667 174.600 0.169 0.000 1.127 158 S CA -0.782 57.493 58.200 0.125 0.000 0.863 158 S CB 2.229 65.516 63.200 0.143 0.000 1.121 158 S HN 0.722 nan 8.310 nan 0.000 0.479 159 E N 1.425 121.712 120.200 0.144 0.000 3.037 159 E HA 0.321 4.670 4.350 -0.001 0.000 0.220 159 E C -2.748 173.943 176.600 0.152 0.000 1.142 159 E CA -1.771 54.734 56.400 0.175 0.000 0.888 159 E CB 0.963 30.752 29.700 0.147 0.000 1.329 159 E HN 0.436 nan 8.360 nan 0.000 0.409 160 P HA -0.073 nan 4.420 nan 0.000 0.264 160 P C 0.471 177.843 177.300 0.120 0.000 1.183 160 P CA 0.223 63.360 63.100 0.062 0.000 0.763 160 P CB 1.000 32.659 31.700 -0.069 0.000 0.807 161 A N 3.150 126.007 122.820 0.062 0.000 1.930 161 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 161 A C 0.584 178.248 177.584 0.133 0.000 1.175 161 A CA 1.858 53.946 52.037 0.084 0.000 0.627 161 A CB -0.776 18.247 19.000 0.037 0.000 0.815 161 A HN 0.735 nan 8.150 nan 0.000 0.443 162 D N -4.744 115.702 120.400 0.077 0.000 2.759 162 D HA 0.340 4.980 4.640 -0.001 0.000 0.321 162 D C 0.596 176.818 176.300 -0.131 0.000 1.267 162 D CA -0.334 53.719 54.000 0.088 0.000 0.933 162 D CB 0.350 41.161 40.800 0.018 0.000 1.431 162 D HN -0.031 nan 8.370 nan 0.000 0.504 163 R N -0.155 120.315 120.500 -0.050 0.000 2.091 163 R HA -0.191 4.149 4.340 -0.001 0.000 0.238 163 R C 1.053 177.204 176.300 -0.249 0.000 1.136 163 R CA 1.957 57.941 56.100 -0.193 0.000 0.959 163 R CB -0.184 30.089 30.300 -0.044 0.000 0.856 163 R HN 0.529 nan 8.270 nan 0.000 0.437 164 E N -0.586 119.524 120.200 -0.150 0.000 2.216 164 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 164 E C 1.814 178.323 176.600 -0.152 0.000 0.988 164 E CA 1.666 57.993 56.400 -0.122 0.000 0.834 164 E CB 0.188 29.858 29.700 -0.051 0.000 0.772 164 E HN 0.396 nan 8.360 nan 0.000 0.479 165 T N 0.551 115.001 114.554 -0.172 0.000 2.770 165 T HA -0.125 4.224 4.350 -0.001 0.000 0.263 165 T C 1.769 176.316 174.700 -0.255 0.000 1.039 165 T CA 1.035 63.031 62.100 -0.174 0.000 1.142 165 T CB -0.194 68.597 68.868 -0.129 0.000 0.868 165 T HN 0.048 nan 8.240 nan 0.000 0.435 166 M N 2.143 121.507 119.600 -0.393 0.000 2.144 166 M HA -0.058 4.421 4.480 -0.001 0.000 0.260 166 M C 2.282 178.350 176.300 -0.387 0.000 1.067 166 M CA 1.449 56.444 55.300 -0.509 0.000 1.095 166 M CB -0.828 31.211 32.600 -0.934 0.000 1.365 166 M HN 0.264 nan 8.290 nan 0.000 0.406 167 A N -0.677 121.963 122.820 -0.300 0.000 1.902 167 A HA 0.049 4.368 4.320 -0.001 0.000 0.217 167 A C 2.360 179.832 177.584 -0.188 0.000 1.181 167 A CA 2.040 53.951 52.037 -0.210 0.000 0.623 167 A CB -1.379 17.526 19.000 -0.158 0.000 0.818 167 A HN 0.626 nan 8.150 nan 0.000 0.443 168 A N -0.203 122.508 122.820 -0.181 0.000 1.865 168 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 168 A C 1.973 179.458 177.584 -0.166 0.000 1.191 168 A CA 1.707 53.654 52.037 -0.151 0.000 0.623 168 A CB -0.530 18.388 19.000 -0.137 0.000 0.826 168 A HN 0.499 nan 8.150 nan 0.000 0.444 169 E N -0.065 120.005 120.200 -0.217 0.000 2.058 169 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 169 E C 2.088 178.527 176.600 -0.269 0.000 0.997 169 E CA 1.304 57.558 56.400 -0.243 0.000 0.801 169 E CB -0.487 28.989 29.700 -0.372 0.000 0.746 169 E HN 0.655 nan 8.360 nan 0.000 0.450 170 L N 0.867 121.880 121.223 -0.350 0.000 2.083 170 L HA -0.233 4.106 4.340 -0.001 0.000 0.209 170 L C 2.758 179.548 176.870 -0.133 0.000 1.083 170 L CA 1.203 55.898 54.840 -0.243 0.000 0.752 170 L CB -0.357 41.561 42.059 -0.235 0.000 0.899 170 L HN 0.122 nan 8.230 nan 0.000 0.433 171 Q N 0.585 120.303 119.800 -0.137 0.000 2.124 171 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 171 Q C 2.183 178.105 176.000 -0.129 0.000 0.977 171 Q CA 1.720 57.459 55.803 -0.107 0.000 0.850 171 Q CB -0.155 28.526 28.738 -0.095 0.000 0.901 171 Q HN 0.360 nan 8.270 nan 0.000 0.429 172 R N -0.547 119.864 120.500 -0.148 0.000 2.052 172 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 172 R C 2.221 178.401 176.300 -0.199 0.000 1.145 172 R CA 1.978 57.946 56.100 -0.221 0.000 0.952 172 R CB -0.579 29.635 30.300 -0.142 0.000 0.847 172 R HN 0.511 nan 8.270 nan 0.000 0.431 173 T N -1.483 113.025 114.554 -0.076 0.000 2.857 173 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 173 T C 0.856 175.557 174.700 0.002 0.000 1.048 173 T CA 0.869 62.972 62.100 0.005 0.000 1.139 173 T CB -0.461 68.494 68.868 0.146 0.000 0.874 173 T HN 0.504 nan 8.240 nan 0.000 0.455 174 N N 1.889 120.585 118.700 -0.007 0.000 2.714 174 N HA -0.094 4.645 4.740 -0.001 0.000 0.253 174 N C -2.593 172.927 175.510 0.017 0.000 1.024 174 N CA 0.515 53.559 53.050 -0.010 0.000 0.726 174 N CB -1.034 37.431 38.487 -0.036 0.000 0.908 174 N HN 0.424 nan 8.380 nan 0.000 0.542 175 P HA 0.117 nan 4.420 nan 0.000 0.266 175 P C 0.296 177.605 177.300 0.015 0.000 1.195 175 P CA 0.246 63.369 63.100 0.038 0.000 0.768 175 P CB 0.828 32.567 31.700 0.065 0.000 0.838 176 A N 2.005 124.827 122.820 0.003 0.000 2.218 176 A HA 0.035 4.355 4.320 -0.001 0.000 0.209 176 A C 0.807 178.388 177.584 -0.006 0.000 1.168 176 A CA 0.620 52.657 52.037 -0.000 0.000 0.804 176 A CB -0.437 18.563 19.000 -0.000 0.000 0.834 176 A HN 0.696 nan 8.150 nan 0.000 0.482 177 E N -0.675 119.514 120.200 -0.019 0.000 2.343 177 E HA 0.508 4.857 4.350 -0.001 0.000 0.288 177 E C -2.059 174.497 176.600 -0.073 0.000 0.907 177 E CA -0.460 55.914 56.400 -0.042 0.000 0.792 177 E CB 1.141 30.809 29.700 -0.053 0.000 1.275 177 E HN 0.193 nan 8.360 nan 0.000 0.402 178 L N 6.497 127.692 121.223 -0.046 0.000 2.343 178 L HA 0.481 4.820 4.340 -0.001 0.000 0.278 178 L C -1.300 175.569 176.870 -0.002 0.000 0.996 178 L CA -0.803 54.029 54.840 -0.013 0.000 0.831 178 L CB 0.852 42.933 42.059 0.037 0.000 1.232 178 L HN 0.592 nan 8.230 nan 0.000 0.413 179 L N 6.217 127.405 121.223 -0.059 0.000 2.259 179 L HA 0.342 4.681 4.340 -0.001 0.000 0.288 179 L C -0.750 176.212 176.870 0.153 0.000 1.051 179 L CA -0.644 54.162 54.840 -0.057 0.000 0.824 179 L CB 0.070 41.996 42.059 -0.222 0.000 1.206 179 L HN 0.489 nan 8.230 nan 0.000 0.429 180 Y N 1.899 122.203 120.300 0.007 0.000 2.446 180 Y HA 0.837 5.386 4.550 -0.001 0.000 0.338 180 Y C 0.086 176.030 175.900 0.073 0.000 1.055 180 Y CA -1.448 56.610 58.100 -0.070 0.000 1.101 180 Y CB 1.077 39.332 38.460 -0.342 0.000 1.221 180 Y HN 0.531 nan 8.280 nan 0.000 0.460 181 A N 2.892 125.690 122.820 -0.036 0.000 2.445 181 A HA 0.165 4.484 4.320 -0.001 0.000 0.242 181 A C 1.199 178.827 177.584 0.072 0.000 1.075 181 A CA 0.010 52.062 52.037 0.025 0.000 0.777 181 A CB -0.061 18.836 19.000 -0.171 0.000 1.013 181 A HN 1.015 nan 8.150 nan 0.000 0.493 182 E N 1.226 121.454 120.200 0.046 0.000 2.130 182 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 182 E C 0.097 176.798 176.600 0.168 0.000 0.998 182 E CA 1.440 57.882 56.400 0.071 0.000 0.806 182 E CB -0.352 29.384 29.700 0.060 0.000 0.738 182 E HN 0.730 nan 8.360 nan 0.000 0.459 183 D N 0.554 121.045 120.400 0.152 0.000 2.706 183 D HA -0.019 4.620 4.640 -0.001 0.000 0.236 183 D C -0.719 175.643 176.300 0.103 0.000 1.231 183 D CA -0.665 53.400 54.000 0.109 0.000 0.828 183 D CB -0.764 40.073 40.800 0.062 0.000 1.015 183 D HN 0.072 nan 8.370 nan 0.000 0.484 184 F N 1.381 121.357 119.950 0.042 0.000 2.466 184 F HA 0.448 4.974 4.527 -0.001 0.000 0.363 184 F C 1.385 177.158 175.800 -0.046 0.000 1.109 184 F CA -0.864 57.129 58.000 -0.012 0.000 1.161 184 F CB 1.052 40.124 39.000 0.119 0.000 1.117 184 F HN 0.113 nan 8.300 nan 0.000 0.539 185 A N 4.056 126.548 122.820 -0.547 0.000 1.873 185 A HA -0.137 4.182 4.320 -0.001 0.000 0.215 185 A C 1.027 178.352 177.584 -0.431 0.000 1.186 185 A CA 1.251 53.037 52.037 -0.417 0.000 0.616 185 A CB -0.493 18.262 19.000 -0.408 0.000 0.823 185 A HN 0.637 nan 8.150 nan 0.000 0.442 186 E N -0.062 119.710 120.200 -0.713 0.000 2.136 186 E HA 0.321 4.671 4.350 -0.001 0.000 0.246 186 E C 0.660 177.119 176.600 -0.234 0.000 1.017 186 E CA -0.151 56.017 56.400 -0.387 0.000 0.883 186 E CB 0.048 29.608 29.700 -0.234 0.000 1.199 186 E HN 0.308 nan 8.360 nan 0.000 0.447 187 M N 1.229 120.776 119.600 -0.088 0.000 2.476 187 M HA -0.047 4.433 4.480 -0.001 0.000 0.262 187 M C 1.672 177.987 176.300 0.026 0.000 1.111 187 M CA 0.710 56.037 55.300 0.044 0.000 1.127 187 M CB -0.571 32.042 32.600 0.020 0.000 1.376 187 M HN 0.501 nan 8.290 nan 0.000 0.465 188 S N 0.526 116.225 115.700 -0.001 0.000 2.440 188 S HA -0.094 4.376 4.470 -0.001 0.000 0.238 188 S C 1.886 176.483 174.600 -0.006 0.000 1.010 188 S CA 0.819 59.015 58.200 -0.007 0.000 0.972 188 S CB -0.887 62.304 63.200 -0.015 0.000 0.774 188 S HN 0.472 nan 8.310 nan 0.000 0.501 189 L N -0.653 120.582 121.223 0.021 0.000 2.191 189 L HA 0.068 4.408 4.340 -0.001 0.000 0.212 189 L C 2.257 179.130 176.870 0.005 0.000 1.103 189 L CA 1.124 55.975 54.840 0.019 0.000 0.769 189 L CB -0.172 41.936 42.059 0.081 0.000 0.908 189 L HN 0.351 nan 8.230 nan 0.000 0.438 190 I N -1.741 118.834 120.570 0.009 0.000 4.197 190 I HA 0.001 4.171 4.170 -0.001 0.000 0.307 190 I C 1.184 177.242 176.117 -0.099 0.000 1.236 190 I CA -0.077 61.178 61.300 -0.075 0.000 1.321 190 I CB 0.537 38.427 38.000 -0.183 0.000 1.309 190 I HN 0.140 nan 8.210 nan 0.000 0.450 191 E N 0.102 120.253 120.200 -0.081 0.000 2.383 191 E HA 0.392 4.741 4.350 -0.001 0.000 0.264 191 E C 1.012 177.594 176.600 -0.030 0.000 1.050 191 E CA 0.377 56.740 56.400 -0.062 0.000 0.896 191 E CB 0.622 30.298 29.700 -0.039 0.000 0.982 191 E HN 0.320 nan 8.360 nan 0.000 0.424 192 G N 2.820 111.611 108.800 -0.014 0.000 2.729 192 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.216 192 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.216 192 G C 0.313 175.211 174.900 -0.003 0.000 1.252 192 G CA 0.011 45.109 45.100 -0.004 0.000 0.751 192 G HN 0.576 nan 8.290 nan 0.000 0.527 193 R N 2.238 122.730 120.500 -0.014 0.000 2.587 193 R HA 0.151 4.490 4.340 -0.001 0.000 0.268 193 R C 1.393 177.695 176.300 0.003 0.000 0.978 193 R CA 0.510 56.604 56.100 -0.010 0.000 1.097 193 R CB 0.244 30.532 30.300 -0.021 0.000 0.917 193 R HN 0.726 nan 8.270 nan 0.000 0.414 194 R N 1.712 122.215 120.500 0.006 0.000 2.784 194 R HA 0.028 4.367 4.340 -0.001 0.000 0.266 194 R C 0.248 176.558 176.300 0.016 0.000 1.044 194 R CA 0.528 56.636 56.100 0.012 0.000 1.151 194 R CB -0.086 30.219 30.300 0.009 0.000 1.037 194 R HN 0.807 nan 8.270 nan 0.000 0.478 195 G N 1.547 110.360 108.800 0.021 0.000 2.395 195 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.292 195 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.292 195 G C -0.394 174.524 174.900 0.030 0.000 0.953 195 G CA 0.284 45.397 45.100 0.022 0.000 1.207 195 G HN 0.539 nan 8.290 nan 0.000 0.503 196 L N 0.395 121.653 121.223 0.058 0.000 2.395 196 L HA 0.730 5.069 4.340 -0.001 0.000 0.269 196 L C 0.582 177.522 176.870 0.115 0.000 1.133 196 L CA -0.295 54.614 54.840 0.114 0.000 0.812 196 L CB 0.894 43.045 42.059 0.153 0.000 1.125 196 L HN 0.330 nan 8.230 nan 0.000 0.452 197 R N 3.770 124.342 120.500 0.121 0.000 2.575 197 R HA 0.257 4.597 4.340 -0.001 0.000 0.292 197 R C -0.923 175.265 176.300 -0.186 0.000 1.246 197 R CA -0.596 55.501 56.100 -0.005 0.000 0.973 197 R CB 1.178 31.433 30.300 -0.075 0.000 1.187 197 R HN 0.559 nan 8.270 nan 0.000 0.478 198 R N 3.229 123.556 120.500 -0.288 0.000 2.248 198 R HA 0.177 4.517 4.340 -0.001 0.000 0.337 198 R C -0.426 175.663 176.300 -0.352 0.000 1.085 198 R CA -0.344 55.355 56.100 -0.668 0.000 0.934 198 R CB 0.409 30.454 30.300 -0.424 0.000 1.034 198 R HN 0.233 nan 8.270 nan 0.000 0.465 199 R N 4.625 124.933 120.500 -0.321 0.000 2.486 199 R HA 0.385 4.724 4.340 -0.001 0.000 0.286 199 R C -2.461 173.769 176.300 -0.118 0.000 0.999 199 R CA -3.028 52.968 56.100 -0.173 0.000 0.993 199 R CB 0.806 31.019 30.300 -0.146 0.000 1.084 199 R HN 0.495 nan 8.270 nan 0.000 0.487 200 P HA 0.018 nan 4.420 nan 0.000 0.275 200 P C 1.135 178.315 177.300 -0.202 0.000 1.227 200 P CA -0.487 62.501 63.100 -0.187 0.000 0.781 200 P CB 0.640 32.204 31.700 -0.226 0.000 0.906 201 L N 4.626 125.891 121.223 0.070 0.000 2.051 201 L HA -0.165 4.174 4.340 -0.001 0.000 0.214 201 L C 1.725 178.706 176.870 0.185 0.000 1.076 201 L CA 2.315 57.295 54.840 0.233 0.000 0.758 201 L CB -1.173 41.033 42.059 0.245 0.000 0.890 201 L HN 0.618 nan 8.230 nan 0.000 0.433 202 W N 0.379 121.752 121.300 0.121 0.000 2.387 202 W HA -0.187 4.472 4.660 -0.001 0.000 0.272 202 W C 1.461 177.964 176.519 -0.027 0.000 1.224 202 W CA 0.658 58.030 57.345 0.045 0.000 1.210 202 W CB -1.115 28.355 29.460 0.016 0.000 1.125 202 W HN 0.318 nan 8.180 nan 0.000 0.572 203 E N 0.114 119.873 120.200 -0.736 0.000 2.478 203 E HA -0.096 4.253 4.350 -0.001 0.000 0.198 203 E C 0.795 176.959 176.600 -0.727 0.000 1.046 203 E CA 0.770 56.648 56.400 -0.871 0.000 0.870 203 E CB -0.373 28.609 29.700 -1.197 0.000 0.818 203 E HN 0.305 nan 8.360 nan 0.000 0.527 204 F N 0.574 120.340 119.950 -0.306 0.000 2.653 204 F HA 0.128 4.654 4.527 -0.001 0.000 0.304 204 F C 0.720 176.247 175.800 -0.455 0.000 1.092 204 F CA -0.501 57.222 58.000 -0.462 0.000 1.279 204 F CB 0.335 38.916 39.000 -0.699 0.000 1.044 204 F HN -0.173 nan 8.300 nan 0.000 0.564 205 E N 1.536 121.679 120.200 -0.096 0.000 2.529 205 E HA -0.109 4.240 4.350 -0.001 0.000 0.259 205 E C 1.210 177.763 176.600 -0.079 0.000 0.966 205 E CA 0.100 56.475 56.400 -0.041 0.000 0.937 205 E CB 0.372 30.108 29.700 0.059 0.000 0.923 205 E HN 0.284 nan 8.360 nan 0.000 0.468 206 I N 4.274 124.806 120.570 -0.062 0.000 2.202 206 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 206 I C 1.056 177.163 176.117 -0.016 0.000 1.091 206 I CA 1.523 62.795 61.300 -0.047 0.000 1.368 206 I CB -0.295 37.699 38.000 -0.011 0.000 1.058 206 I HN 0.640 nan 8.210 nan 0.000 0.410 207 D N 0.003 120.404 120.400 0.002 0.000 2.084 207 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 207 D C 2.182 178.485 176.300 0.005 0.000 0.990 207 D CA 2.142 56.148 54.000 0.010 0.000 0.826 207 D CB -0.692 40.118 40.800 0.017 0.000 0.971 207 D HN 0.319 nan 8.370 nan 0.000 0.453 208 T N 1.305 115.863 114.554 0.006 0.000 2.624 208 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 208 T C 2.018 176.708 174.700 -0.017 0.000 1.041 208 T CA 2.065 64.167 62.100 0.004 0.000 1.159 208 T CB -0.510 68.375 68.868 0.028 0.000 0.863 208 T HN 0.239 nan 8.240 nan 0.000 0.434 209 A N 1.786 124.585 122.820 -0.034 0.000 1.873 209 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 209 A C 2.397 179.969 177.584 -0.020 0.000 1.193 209 A CA 1.959 53.968 52.037 -0.047 0.000 0.629 209 A CB -0.654 18.305 19.000 -0.069 0.000 0.826 209 A HN 0.463 nan 8.150 nan 0.000 0.447 210 R N -1.127 119.372 120.500 -0.002 0.000 2.080 210 R HA -0.173 4.167 4.340 -0.001 0.000 0.236 210 R C 2.620 178.936 176.300 0.027 0.000 1.137 210 R CA 1.526 57.640 56.100 0.024 0.000 0.943 210 R CB -0.395 29.923 30.300 0.029 0.000 0.846 210 R HN 0.708 nan 8.270 nan 0.000 0.431 211 Q N 0.682 120.490 119.800 0.013 0.000 2.084 211 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 211 Q C 1.924 177.917 176.000 -0.011 0.000 0.978 211 Q CA 1.591 57.400 55.803 0.010 0.000 0.844 211 Q CB 0.120 28.862 28.738 0.005 0.000 0.898 211 Q HN 0.380 nan 8.270 nan 0.000 0.426 212 Q N -0.032 119.749 119.800 -0.032 0.000 2.187 212 Q HA 0.012 4.351 4.340 -0.001 0.000 0.199 212 Q C 2.356 178.278 176.000 -0.131 0.000 0.957 212 Q CA 0.496 56.258 55.803 -0.068 0.000 0.857 212 Q CB 0.048 28.747 28.738 -0.066 0.000 0.929 212 Q HN 0.404 nan 8.270 nan 0.000 0.453 213 L N 0.859 122.011 121.223 -0.117 0.000 2.027 213 L HA -0.192 4.147 4.340 -0.001 0.000 0.206 213 L C 2.127 178.853 176.870 -0.240 0.000 1.074 213 L CA 0.876 55.572 54.840 -0.240 0.000 0.745 213 L CB -0.402 41.653 42.059 -0.007 0.000 0.898 213 L HN 0.206 nan 8.230 nan 0.000 0.433 214 N N -0.004 118.706 118.700 0.017 0.000 2.104 214 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 214 N C 1.831 177.379 175.510 0.063 0.000 1.024 214 N CA 1.215 54.344 53.050 0.132 0.000 0.853 214 N CB -0.239 38.324 38.487 0.125 0.000 1.008 214 N HN 0.144 nan 8.380 nan 0.000 0.424 215 L N 1.560 122.774 121.223 -0.016 0.000 1.994 215 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 215 L C 2.525 179.362 176.870 -0.056 0.000 1.071 215 L CA 1.636 56.462 54.840 -0.023 0.000 0.745 215 L CB -0.679 41.357 42.059 -0.039 0.000 0.892 215 L HN 0.109 nan 8.230 nan 0.000 0.431 216 Q N -0.848 118.845 119.800 -0.178 0.000 2.061 216 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 216 Q C 1.938 177.841 176.000 -0.162 0.000 0.984 216 Q CA 2.138 57.791 55.803 -0.250 0.000 0.846 216 Q CB -0.458 28.007 28.738 -0.455 0.000 0.902 216 Q HN 0.481 nan 8.270 nan 0.000 0.421 217 F N -0.644 119.325 119.950 0.033 0.000 2.367 217 F HA 0.277 4.803 4.527 -0.001 0.000 0.298 217 F C 1.663 177.543 175.800 0.134 0.000 1.094 217 F CA 0.854 58.903 58.000 0.081 0.000 1.409 217 F CB -0.508 38.524 39.000 0.054 0.000 1.064 217 F HN 0.247 nan 8.300 nan 0.000 0.528 218 G N 1.295 110.244 108.800 0.249 0.000 2.248 218 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.263 218 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.263 218 G C 0.065 175.079 174.900 0.190 0.000 1.082 218 G CA 0.274 45.478 45.100 0.173 0.000 0.863 218 G HN 0.570 nan 8.290 nan 0.000 0.495 219 T N -3.767 110.925 114.554 0.231 0.000 2.864 219 T HA 0.790 5.139 4.350 -0.001 0.000 0.289 219 T C 1.105 175.897 174.700 0.154 0.000 1.082 219 T CA -0.763 61.453 62.100 0.193 0.000 1.009 219 T CB 1.907 70.934 68.868 0.265 0.000 1.234 219 T HN 0.005 nan 8.240 nan 0.000 0.526 220 R N 0.820 121.385 120.500 0.109 0.000 2.075 220 R HA 0.239 4.578 4.340 -0.001 0.000 0.220 220 R C 0.234 176.590 176.300 0.094 0.000 1.118 220 R CA 1.164 57.313 56.100 0.083 0.000 0.986 220 R CB -0.756 29.576 30.300 0.052 0.000 0.884 220 R HN 0.904 nan 8.270 nan 0.000 0.439 221 D N -1.252 119.208 120.400 0.099 0.000 2.654 221 D HA 0.328 4.968 4.640 -0.001 0.000 0.255 221 D C -0.094 176.312 176.300 0.176 0.000 1.101 221 D CA -0.726 53.340 54.000 0.111 0.000 1.116 221 D CB 0.797 41.638 40.800 0.068 0.000 1.348 221 D HN -0.121 nan 8.370 nan 0.000 0.609 222 L N 0.608 121.941 121.223 0.184 0.000 3.154 222 L HA 0.283 4.623 4.340 -0.001 0.000 0.266 222 L C 0.517 177.505 176.870 0.197 0.000 1.300 222 L CA -0.272 54.760 54.840 0.320 0.000 1.028 222 L CB 0.802 43.014 42.059 0.254 0.000 1.412 222 L HN 0.305 nan 8.230 nan 0.000 0.564 223 V N -0.209 119.743 119.914 0.063 0.000 2.725 223 V HA -0.004 4.116 4.120 -0.001 0.000 0.247 223 V C 2.410 178.460 176.094 -0.073 0.000 1.058 223 V CA 1.765 64.067 62.300 0.003 0.000 1.080 223 V CB -0.244 31.573 31.823 -0.010 0.000 0.713 223 V HN 0.636 nan 8.190 nan 0.000 0.465 224 G N -0.327 108.348 108.800 -0.210 0.000 2.443 224 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 224 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 224 G C 1.349 176.026 174.900 -0.372 0.000 1.131 224 G CA 0.589 45.484 45.100 -0.341 0.000 0.775 224 G HN 0.487 nan 8.290 nan 0.000 0.547 225 F N 0.361 120.242 119.950 -0.114 0.000 2.293 225 F HA 0.274 4.801 4.527 -0.001 0.000 0.297 225 F C 2.286 178.017 175.800 -0.114 0.000 1.089 225 F CA 0.736 58.641 58.000 -0.157 0.000 1.377 225 F CB -0.058 38.788 39.000 -0.257 0.000 1.051 225 F HN 0.280 nan 8.300 nan 0.000 0.511 226 G N -0.041 108.807 108.800 0.080 0.000 2.159 226 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.227 226 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.227 226 G C 0.648 175.569 174.900 0.036 0.000 0.986 226 G CA 0.305 45.425 45.100 0.033 0.000 0.651 226 G HN 0.627 nan 8.290 nan 0.000 0.523 227 V N -1.896 118.051 119.914 0.055 0.000 3.177 227 V HA 0.660 4.780 4.120 -0.001 0.000 0.342 227 V C 1.399 177.517 176.094 0.040 0.000 1.379 227 V CA 1.160 63.474 62.300 0.023 0.000 1.191 227 V CB 0.946 32.750 31.823 -0.031 0.000 1.167 227 V HN 0.209 nan 8.190 nan 0.000 0.471 228 E N 1.944 122.175 120.200 0.053 0.000 2.358 228 E HA -0.007 4.343 4.350 -0.001 0.000 0.195 228 E C 1.252 177.877 176.600 0.042 0.000 1.010 228 E CA 1.019 57.451 56.400 0.053 0.000 0.856 228 E CB -0.014 29.716 29.700 0.051 0.000 0.795 228 E HN 0.678 nan 8.360 nan 0.000 0.504 229 N N 0.011 118.733 118.700 0.037 0.000 2.328 229 N HA 0.224 4.963 4.740 -0.001 0.000 0.247 229 N C -0.988 174.547 175.510 0.043 0.000 1.165 229 N CA 0.410 53.482 53.050 0.037 0.000 0.873 229 N CB 1.492 39.997 38.487 0.029 0.000 1.125 229 N HN 0.069 nan 8.380 nan 0.000 0.513 230 A N 1.063 123.911 122.820 0.046 0.000 3.218 230 A HA 0.395 4.714 4.320 -0.001 0.000 0.321 230 A C -1.500 176.127 177.584 0.072 0.000 1.012 230 A CA -1.160 50.913 52.037 0.059 0.000 0.948 230 A CB 0.750 19.778 19.000 0.047 0.000 1.050 230 A HN -0.110 nan 8.150 nan 0.000 0.492 231 P HA -0.300 nan 4.420 nan 0.000 0.218 231 P C 1.482 178.852 177.300 0.118 0.000 1.165 231 P CA 1.728 64.880 63.100 0.087 0.000 0.922 231 P CB 0.001 31.762 31.700 0.103 0.000 0.794 232 R N -0.822 119.803 120.500 0.208 0.000 2.073 232 R HA -0.060 4.279 4.340 -0.001 0.000 0.234 232 R C 2.721 179.187 176.300 0.276 0.000 1.134 232 R CA 1.736 58.066 56.100 0.383 0.000 0.952 232 R CB -1.843 28.714 30.300 0.428 0.000 0.850 232 R HN 0.259 nan 8.270 nan 0.000 0.433 233 G N 2.118 111.036 108.800 0.197 0.000 2.453 233 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.215 233 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.215 233 G C 1.565 176.504 174.900 0.065 0.000 1.201 233 G CA 0.573 45.758 45.100 0.143 0.000 0.784 233 G HN 0.119 nan 8.290 nan 0.000 0.545 234 L N 0.133 121.375 121.223 0.032 0.000 2.103 234 L HA -0.255 4.084 4.340 -0.001 0.000 0.215 234 L C 3.094 179.946 176.870 -0.030 0.000 1.080 234 L CA 1.199 56.037 54.840 -0.003 0.000 0.764 234 L CB -0.589 41.474 42.059 0.006 0.000 0.890 234 L HN 0.322 nan 8.230 nan 0.000 0.435 235 C N -0.711 118.541 119.300 -0.080 0.000 2.442 235 C HA -0.142 4.317 4.460 -0.001 0.000 0.279 235 C C 3.120 178.072 174.990 -0.063 0.000 1.237 235 C CA 0.644 59.542 59.018 -0.199 0.000 1.722 235 C CB -1.208 26.164 27.740 -0.612 0.000 2.056 235 C HN 0.645 nan 8.230 nan 0.000 0.469 236 A N 0.673 123.537 122.820 0.073 0.000 1.948 236 A HA -0.046 4.274 4.320 -0.001 0.000 0.220 236 A C 2.328 179.962 177.584 0.084 0.000 1.177 236 A CA 2.367 54.543 52.037 0.232 0.000 0.636 236 A CB -0.924 18.236 19.000 0.268 0.000 0.815 236 A HN 0.648 nan 8.150 nan 0.000 0.449 237 A N -0.542 122.320 122.820 0.070 0.000 1.933 237 A HA 0.145 4.465 4.320 -0.001 0.000 0.218 237 A C 2.428 180.066 177.584 0.090 0.000 1.175 237 A CA 1.890 54.016 52.037 0.148 0.000 0.628 237 A CB -1.420 17.625 19.000 0.074 0.000 0.814 237 A HN 0.755 nan 8.150 nan 0.000 0.444 238 G N -0.694 108.092 108.800 -0.023 0.000 2.514 238 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.217 238 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.217 238 G C 1.888 176.677 174.900 -0.184 0.000 1.198 238 G CA 1.488 46.529 45.100 -0.099 0.000 0.780 238 G HN 0.768 nan 8.290 nan 0.000 0.565 239 C N -0.091 119.010 119.300 -0.330 0.000 2.435 239 C HA 0.119 4.578 4.460 -0.001 0.000 0.279 239 C C 2.707 177.542 174.990 -0.258 0.000 1.321 239 C CA 0.957 59.686 59.018 -0.482 0.000 1.752 239 C CB -0.998 26.093 27.740 -1.083 0.000 1.959 239 C HN 0.338 nan 8.230 nan 0.000 0.500 240 L N 0.587 121.714 121.223 -0.159 0.000 2.141 240 L HA 0.052 4.392 4.340 -0.001 0.000 0.209 240 L C 2.102 178.886 176.870 -0.143 0.000 1.094 240 L CA 1.795 56.559 54.840 -0.127 0.000 0.763 240 L CB -0.967 41.062 42.059 -0.051 0.000 0.908 240 L HN 0.420 nan 8.230 nan 0.000 0.437 241 L N -0.957 120.183 121.223 -0.139 0.000 2.084 241 L HA -0.086 4.253 4.340 -0.001 0.000 0.202 241 L C 2.462 179.250 176.870 -0.137 0.000 1.074 241 L CA 1.538 56.262 54.840 -0.194 0.000 0.757 241 L CB -0.778 41.186 42.059 -0.159 0.000 0.918 241 L HN 0.332 nan 8.230 nan 0.000 0.444 242 Q N -1.547 118.184 119.800 -0.115 0.000 2.096 242 Q HA -0.318 4.022 4.340 -0.001 0.000 0.208 242 Q C 2.192 178.154 176.000 -0.063 0.000 0.993 242 Q CA 2.569 58.317 55.803 -0.092 0.000 0.862 242 Q CB -0.476 28.197 28.738 -0.108 0.000 0.915 242 Q HN 0.596 nan 8.270 nan 0.000 0.416 243 Y N 0.231 120.423 120.300 -0.180 0.000 2.128 243 Y HA -0.298 4.252 4.550 -0.001 0.000 0.284 243 Y C 2.199 178.019 175.900 -0.135 0.000 1.154 243 Y CA 1.557 59.565 58.100 -0.153 0.000 1.149 243 Y CB -0.404 37.958 38.460 -0.165 0.000 0.976 243 Y HN 0.152 nan 8.280 nan 0.000 0.505 244 A N 0.288 123.123 122.820 0.026 0.000 1.908 244 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 244 A C 2.217 179.737 177.584 -0.106 0.000 1.181 244 A CA 2.199 54.203 52.037 -0.055 0.000 0.627 244 A CB -0.586 18.327 19.000 -0.146 0.000 0.818 244 A HN 0.519 nan 8.150 nan 0.000 0.445 245 K N -0.964 119.367 120.400 -0.115 0.000 2.057 245 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 245 K C 1.815 178.348 176.600 -0.111 0.000 1.050 245 K CA 1.440 57.664 56.287 -0.105 0.000 0.935 245 K CB -0.253 32.189 32.500 -0.097 0.000 0.715 245 K HN 0.510 nan 8.250 nan 0.000 0.439 246 D N 0.416 120.731 120.400 -0.141 0.000 2.178 246 D HA -0.123 4.516 4.640 -0.001 0.000 0.202 246 D C 1.829 178.009 176.300 -0.200 0.000 0.974 246 D CA 1.672 55.578 54.000 -0.157 0.000 0.841 246 D CB 0.139 40.831 40.800 -0.180 0.000 0.953 246 D HN 0.276 nan 8.370 nan 0.000 0.478 247 T N -2.447 111.944 114.554 -0.270 0.000 2.770 247 T HA -0.100 4.249 4.350 -0.001 0.000 0.258 247 T C 1.876 176.490 174.700 -0.143 0.000 1.039 247 T CA 0.639 62.592 62.100 -0.246 0.000 1.143 247 T CB -0.281 68.438 68.868 -0.249 0.000 0.866 247 T HN -0.000 nan 8.240 nan 0.000 0.428 248 Q N 1.167 120.902 119.800 -0.109 0.000 2.033 248 Q HA 0.137 4.477 4.340 -0.001 0.000 0.196 248 Q C 1.077 177.037 176.000 -0.068 0.000 0.970 248 Q CA 0.867 56.626 55.803 -0.074 0.000 0.828 248 Q CB -0.257 28.451 28.738 -0.050 0.000 0.895 248 Q HN 0.655 nan 8.270 nan 0.000 0.440 249 R N 0.389 120.849 120.500 -0.067 0.000 3.878 249 R HA -0.116 4.223 4.340 -0.001 0.000 0.330 249 R C -0.051 176.221 176.300 -0.047 0.000 1.186 249 R CA 0.917 56.985 56.100 -0.054 0.000 0.885 249 R CB -2.784 27.487 30.300 -0.048 0.000 1.377 249 R HN 0.517 nan 8.270 nan 0.000 0.523 250 T N -3.201 111.324 114.554 -0.048 0.000 2.910 250 T HA 0.520 4.870 4.350 -0.001 0.000 0.287 250 T C 0.586 175.264 174.700 -0.036 0.000 1.050 250 T CA -0.225 61.847 62.100 -0.046 0.000 1.011 250 T CB 2.069 70.901 68.868 -0.060 0.000 1.195 250 T HN 0.178 nan 8.240 nan 0.000 0.540 251 T N 0.184 114.720 114.554 -0.029 0.000 2.898 251 T HA 0.476 4.826 4.350 -0.001 0.000 0.301 251 T C 0.037 174.745 174.700 0.013 0.000 1.049 251 T CA -0.819 61.272 62.100 -0.016 0.000 1.095 251 T CB -0.209 68.653 68.868 -0.010 0.000 0.976 251 T HN 0.582 nan 8.240 nan 0.000 0.539 252 L N 3.803 125.045 121.223 0.031 0.000 2.387 252 L HA 0.324 4.664 4.340 -0.001 0.000 0.259 252 L C -1.641 175.323 176.870 0.156 0.000 1.050 252 L CA -2.089 52.829 54.840 0.129 0.000 0.922 252 L CB 1.380 43.465 42.059 0.043 0.000 1.280 252 L HN 0.524 nan 8.230 nan 0.000 0.449 253 P HA -0.122 nan 4.420 nan 0.000 0.231 253 P C 1.080 178.514 177.300 0.222 0.000 1.168 253 P CA 1.053 64.248 63.100 0.159 0.000 0.779 253 P CB -0.009 31.754 31.700 0.105 0.000 0.844 254 H N -0.568 118.525 119.070 0.038 0.000 2.529 254 H HA 0.136 4.691 4.556 -0.001 0.000 0.277 254 H C 0.799 176.173 175.328 0.076 0.000 0.999 254 H CA -0.171 55.910 56.048 0.054 0.000 1.256 254 H CB -1.187 28.596 29.762 0.035 0.000 1.402 254 H HN 0.148 nan 8.280 nan 0.000 0.566 255 I N 3.477 123.935 120.570 -0.187 0.000 2.224 255 I HA 0.135 4.304 4.170 -0.001 0.000 0.293 255 I C 1.172 177.387 176.117 0.162 0.000 1.155 255 I CA -0.078 61.161 61.300 -0.101 0.000 1.297 255 I CB 0.288 38.130 38.000 -0.265 0.000 1.487 255 I HN 0.272 nan 8.210 nan 0.000 0.564 256 R N 2.054 122.703 120.500 0.249 0.000 2.373 256 R HA 0.334 4.673 4.340 -0.001 0.000 0.221 256 R C 0.426 176.918 176.300 0.320 0.000 0.893 256 R CA -0.219 56.086 56.100 0.342 0.000 1.049 256 R CB 0.698 31.136 30.300 0.230 0.000 1.119 256 R HN 0.336 nan 8.270 nan 0.000 0.535 257 S N 0.076 115.860 115.700 0.141 0.000 2.541 257 S HA 0.545 5.014 4.470 -0.001 0.000 0.271 257 S C -1.677 172.700 174.600 -0.372 0.000 1.133 257 S CA -0.814 57.234 58.200 -0.254 0.000 0.876 257 S CB 1.706 64.966 63.200 0.100 0.000 1.105 257 S HN 0.289 nan 8.310 nan 0.000 0.470 258 I N 3.554 123.623 120.570 -0.836 0.000 2.498 258 I HA 0.655 4.824 4.170 -0.001 0.000 0.290 258 I C -0.417 175.527 176.117 -0.288 0.000 1.032 258 I CA -0.144 60.799 61.300 -0.595 0.000 1.073 258 I CB 1.984 39.465 38.000 -0.865 0.000 1.251 258 I HN 0.823 nan 8.210 nan 0.000 0.426 259 T N 4.345 118.799 114.554 -0.166 0.000 2.930 259 T HA 0.543 4.892 4.350 -0.001 0.000 0.290 259 T C -0.544 174.109 174.700 -0.079 0.000 1.052 259 T CA -0.902 61.157 62.100 -0.067 0.000 1.017 259 T CB 2.027 70.889 68.868 -0.009 0.000 1.137 259 T HN 0.605 nan 8.240 nan 0.000 0.511 260 M N 1.350 120.927 119.600 -0.037 0.000 2.311 260 M HA 0.433 4.913 4.480 -0.001 0.000 0.325 260 M C -1.190 175.110 176.300 -0.000 0.000 1.061 260 M CA -0.511 54.775 55.300 -0.024 0.000 0.957 260 M CB 1.800 34.391 32.600 -0.015 0.000 1.646 260 M HN 0.762 nan 8.290 nan 0.000 0.434 261 E N 4.325 124.534 120.200 0.014 0.000 2.200 261 E HA 0.367 4.717 4.350 -0.001 0.000 0.283 261 E C -1.081 175.533 176.600 0.022 0.000 1.015 261 E CA -0.392 56.022 56.400 0.023 0.000 0.819 261 E CB 1.106 30.830 29.700 0.040 0.000 1.081 261 E HN 0.532 nan 8.360 nan 0.000 0.397 262 R N 1.932 122.438 120.500 0.010 0.000 2.575 262 R HA 0.313 4.652 4.340 -0.001 0.000 0.293 262 R C 0.027 176.324 176.300 -0.006 0.000 0.983 262 R CA -0.787 55.317 56.100 0.006 0.000 0.887 262 R CB 1.208 31.510 30.300 0.003 0.000 1.184 262 R HN 0.391 nan 8.270 nan 0.000 0.445 263 E N 1.445 121.640 120.200 -0.009 0.000 2.171 263 E HA -0.285 4.064 4.350 -0.001 0.000 0.197 263 E C 0.881 177.461 176.600 -0.034 0.000 0.997 263 E CA 1.786 58.173 56.400 -0.022 0.000 0.810 263 E CB 0.002 29.687 29.700 -0.025 0.000 0.738 263 E HN 0.592 nan 8.360 nan 0.000 0.467 264 Q N 0.613 120.393 119.800 -0.034 0.000 2.364 264 Q HA -0.119 4.220 4.340 -0.001 0.000 0.209 264 Q C 0.980 176.952 176.000 -0.048 0.000 0.977 264 Q CA 1.033 56.807 55.803 -0.048 0.000 0.885 264 Q CB 0.175 28.884 28.738 -0.048 0.000 0.941 264 Q HN 0.220 nan 8.270 nan 0.000 0.464 265 D N -0.218 120.160 120.400 -0.037 0.000 2.339 265 D HA 0.064 4.703 4.640 -0.001 0.000 0.217 265 D C -0.262 176.018 176.300 -0.032 0.000 1.050 265 D CA 0.329 54.308 54.000 -0.036 0.000 0.856 265 D CB 0.381 41.163 40.800 -0.029 0.000 0.922 265 D HN 0.190 nan 8.370 nan 0.000 0.518 266 S N -0.636 115.043 115.700 -0.034 0.000 2.537 266 S HA 0.436 4.905 4.470 -0.001 0.000 0.270 266 S C -0.318 174.248 174.600 -0.057 0.000 1.142 266 S CA -0.901 57.280 58.200 -0.032 0.000 0.870 266 S CB 1.426 64.615 63.200 -0.019 0.000 1.112 266 S HN -0.021 nan 8.310 nan 0.000 0.466 267 I N 2.342 122.869 120.570 -0.072 0.000 2.769 267 I HA 0.008 4.177 4.170 -0.001 0.000 0.285 267 I C 0.056 176.112 176.117 -0.102 0.000 1.173 267 I CA 0.251 61.482 61.300 -0.114 0.000 1.389 267 I CB -0.266 37.650 38.000 -0.139 0.000 1.404 267 I HN 0.502 nan 8.210 nan 0.000 0.544 268 I N 7.580 128.076 120.570 -0.124 0.000 2.634 268 I HA 0.171 4.340 4.170 -0.001 0.000 0.284 268 I C 0.232 176.229 176.117 -0.200 0.000 1.124 268 I CA 0.296 61.512 61.300 -0.139 0.000 1.417 268 I CB 0.439 38.351 38.000 -0.146 0.000 1.396 268 I HN 0.504 nan 8.210 nan 0.000 0.571 269 M N 4.945 124.442 119.600 -0.171 0.000 2.149 269 M HA 0.207 4.687 4.480 -0.001 0.000 0.273 269 M C -1.212 174.992 176.300 -0.160 0.000 0.972 269 M CA -0.867 54.321 55.300 -0.185 0.000 0.984 269 M CB 1.830 34.369 32.600 -0.100 0.000 1.699 269 M HN 0.604 nan 8.290 nan 0.000 0.462 270 D N 1.902 122.177 120.400 -0.208 0.000 2.368 270 D HA 0.353 4.992 4.640 -0.001 0.000 0.240 270 D C 1.203 177.448 176.300 -0.092 0.000 1.169 270 D CA -0.156 53.759 54.000 -0.142 0.000 0.906 270 D CB 0.875 41.599 40.800 -0.125 0.000 1.187 270 D HN 0.585 nan 8.370 nan 0.000 0.435 271 A N 1.857 124.629 122.820 -0.080 0.000 1.896 271 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 271 A C 2.250 179.809 177.584 -0.042 0.000 1.206 271 A CA 3.101 55.100 52.037 -0.063 0.000 0.647 271 A CB -1.597 17.361 19.000 -0.069 0.000 0.828 271 A HN 0.812 nan 8.150 nan 0.000 0.455 272 A N -1.536 121.260 122.820 -0.039 0.000 1.877 272 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 272 A C 2.335 179.908 177.584 -0.018 0.000 1.186 272 A CA 2.461 54.483 52.037 -0.024 0.000 0.620 272 A CB -1.413 17.576 19.000 -0.018 0.000 0.822 272 A HN 0.496 nan 8.150 nan 0.000 0.443 273 T N -0.131 114.404 114.554 -0.033 0.000 2.652 273 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 273 T C 2.043 176.731 174.700 -0.020 0.000 1.039 273 T CA 1.580 63.658 62.100 -0.038 0.000 1.153 273 T CB -0.304 68.510 68.868 -0.089 0.000 0.863 273 T HN 0.490 nan 8.240 nan 0.000 0.428 274 R N 0.603 121.097 120.500 -0.011 0.000 2.105 274 R HA -0.006 4.333 4.340 -0.001 0.000 0.239 274 R C 2.682 179.012 176.300 0.050 0.000 1.135 274 R CA 1.172 57.296 56.100 0.040 0.000 0.967 274 R CB -0.206 30.138 30.300 0.074 0.000 0.861 274 R HN 0.328 nan 8.270 nan 0.000 0.442 275 R N -0.258 120.258 120.500 0.027 0.000 2.153 275 R HA -0.011 4.329 4.340 -0.001 0.000 0.218 275 R C 1.675 177.990 176.300 0.025 0.000 1.072 275 R CA 0.893 57.010 56.100 0.028 0.000 0.990 275 R CB -0.079 30.229 30.300 0.012 0.000 0.889 275 R HN 0.266 nan 8.270 nan 0.000 0.452 276 N N 0.020 118.730 118.700 0.017 0.000 2.333 276 N HA 0.007 4.747 4.740 -0.001 0.000 0.178 276 N C 1.301 176.829 175.510 0.030 0.000 1.018 276 N CA 0.299 53.362 53.050 0.021 0.000 0.882 276 N CB 0.257 38.752 38.487 0.015 0.000 0.984 276 N HN 0.056 nan 8.380 nan 0.000 0.434 277 L N 0.936 122.171 121.223 0.020 0.000 2.552 277 L HA 0.105 4.444 4.340 -0.001 0.000 0.227 277 L C -0.207 176.679 176.870 0.027 0.000 1.146 277 L CA 0.358 55.209 54.840 0.018 0.000 0.858 277 L CB -0.258 41.791 42.059 -0.017 0.000 0.969 277 L HN 0.185 nan 8.230 nan 0.000 0.451 278 E N -0.132 120.087 120.200 0.032 0.000 2.230 278 E HA -0.265 4.085 4.350 -0.001 0.000 0.206 278 E C 0.973 177.583 176.600 0.016 0.000 1.309 278 E CA 0.094 56.516 56.400 0.036 0.000 0.697 278 E CB -1.364 28.365 29.700 0.049 0.000 1.146 278 E HN 0.553 nan 8.360 nan 0.000 0.363 279 I N -0.307 120.255 120.570 -0.013 0.000 2.193 279 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 279 I C 2.405 178.476 176.117 -0.078 0.000 1.084 279 I CA 2.023 63.260 61.300 -0.105 0.000 1.365 279 I CB -0.133 37.692 38.000 -0.292 0.000 1.064 279 I HN 0.382 nan 8.210 nan 0.000 0.410 280 T N -3.704 110.862 114.554 0.020 0.000 3.041 280 T HA 0.137 4.487 4.350 -0.001 0.000 0.276 280 T C 0.321 175.072 174.700 0.085 0.000 0.948 280 T CA -0.427 61.723 62.100 0.083 0.000 0.885 280 T CB 0.384 69.377 68.868 0.208 0.000 1.175 280 T HN 0.273 nan 8.240 nan 0.000 0.529 281 Q N 2.080 121.927 119.800 0.079 0.000 2.271 281 Q HA 0.402 4.741 4.340 -0.001 0.000 0.268 281 Q C -1.226 174.801 176.000 0.046 0.000 1.021 281 Q CA -0.758 55.080 55.803 0.057 0.000 0.802 281 Q CB 1.897 30.669 28.738 0.057 0.000 1.282 281 Q HN 0.348 nan 8.270 nan 0.000 0.431 282 N N 2.901 121.623 118.700 0.036 0.000 2.255 282 N HA -0.019 4.721 4.740 -0.001 0.000 0.253 282 N C 0.833 176.360 175.510 0.028 0.000 1.313 282 N CA -0.174 52.895 53.050 0.031 0.000 0.912 282 N CB 0.307 38.809 38.487 0.026 0.000 1.145 282 N HN 0.756 nan 8.380 nan 0.000 0.511 283 L N -2.173 119.065 121.223 0.025 0.000 2.275 283 L HA 0.006 4.345 4.340 -0.001 0.000 0.215 283 L C 1.225 178.107 176.870 0.020 0.000 1.119 283 L CA 1.164 56.017 54.840 0.022 0.000 0.790 283 L CB -0.387 41.685 42.059 0.022 0.000 0.919 283 L HN 0.783 nan 8.230 nan 0.000 0.443 284 A N -1.120 121.712 122.820 0.020 0.000 2.965 284 A HA 0.511 4.830 4.320 -0.001 0.000 0.304 284 A C 1.307 178.902 177.584 0.018 0.000 1.214 284 A CA 0.374 52.422 52.037 0.018 0.000 0.977 284 A CB -0.211 18.800 19.000 0.018 0.000 1.127 284 A HN 0.445 nan 8.150 nan 0.000 0.572 285 G N -0.378 108.434 108.800 0.019 0.000 2.458 285 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.237 285 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.237 285 G C 1.084 175.997 174.900 0.020 0.000 1.113 285 G CA 0.338 45.449 45.100 0.018 0.000 0.655 285 G HN 1.654 nan 8.290 nan 0.000 0.513 286 G N -0.316 108.496 108.800 0.020 0.000 2.684 286 G HA2 0.576 4.535 3.960 -0.001 0.000 0.255 286 G HA3 0.576 4.535 3.960 -0.001 0.000 0.255 286 G C 1.082 175.997 174.900 0.025 0.000 1.219 286 G CA 0.800 45.912 45.100 0.020 0.000 0.901 286 G HN 1.484 nan 8.290 nan 0.000 0.548 287 A N -0.819 122.015 122.820 0.024 0.000 2.308 287 A HA 0.313 4.632 4.320 -0.001 0.000 0.217 287 A C 0.922 178.521 177.584 0.026 0.000 1.216 287 A CA 0.148 52.202 52.037 0.028 0.000 0.864 287 A CB -0.156 18.860 19.000 0.027 0.000 0.902 287 A HN 0.652 nan 8.150 nan 0.000 0.499 288 E N 0.774 120.987 120.200 0.023 0.000 2.301 288 E HA 0.224 4.573 4.350 -0.001 0.000 0.275 288 E C -0.487 176.127 176.600 0.023 0.000 1.030 288 E CA -0.569 55.844 56.400 0.021 0.000 0.852 288 E CB 0.210 29.920 29.700 0.018 0.000 1.060 288 E HN 0.285 nan 8.360 nan 0.000 0.401 289 N N 2.016 120.730 118.700 0.023 0.000 2.725 289 N HA -0.162 4.577 4.740 -0.001 0.000 0.251 289 N C -0.923 174.607 175.510 0.033 0.000 1.031 289 N CA 1.443 54.508 53.050 0.025 0.000 0.720 289 N CB -1.794 36.703 38.487 0.016 0.000 0.930 289 N HN 0.648 nan 8.380 nan 0.000 0.543 290 T N -3.933 110.642 114.554 0.036 0.000 2.937 290 T HA 0.559 4.909 4.350 -0.001 0.000 0.283 290 T C 1.436 176.159 174.700 0.039 0.000 1.012 290 T CA -0.915 61.208 62.100 0.038 0.000 0.997 290 T CB 1.575 70.462 68.868 0.031 0.000 1.136 290 T HN -0.016 nan 8.240 nan 0.000 0.551 291 L N 1.043 122.281 121.223 0.026 0.000 2.081 291 L HA 0.056 4.396 4.340 -0.001 0.000 0.212 291 L C 2.667 179.550 176.870 0.021 0.000 1.080 291 L CA 2.453 57.301 54.840 0.014 0.000 0.754 291 L CB -1.271 40.772 42.059 -0.027 0.000 0.893 291 L HN 0.926 nan 8.230 nan 0.000 0.433 292 A N -1.256 121.572 122.820 0.014 0.000 1.929 292 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 292 A C 2.468 180.069 177.584 0.029 0.000 1.176 292 A CA 1.510 53.560 52.037 0.021 0.000 0.628 292 A CB -1.005 18.007 19.000 0.019 0.000 0.816 292 A HN 0.635 nan 8.150 nan 0.000 0.444 293 S N -0.064 115.653 115.700 0.029 0.000 2.400 293 S HA -0.149 4.321 4.470 -0.001 0.000 0.232 293 S C 1.709 176.328 174.600 0.032 0.000 1.025 293 S CA 1.692 59.909 58.200 0.028 0.000 0.993 293 S CB -0.875 62.341 63.200 0.027 0.000 0.808 293 S HN 0.273 nan 8.310 nan 0.000 0.478 294 V N 1.437 121.376 119.914 0.042 0.000 2.407 294 V HA 0.068 4.188 4.120 -0.001 0.000 0.245 294 V C 2.499 178.630 176.094 0.061 0.000 1.041 294 V CA 1.440 63.773 62.300 0.054 0.000 1.040 294 V CB -0.685 31.184 31.823 0.077 0.000 0.671 294 V HN 0.447 nan 8.190 nan 0.000 0.455 295 L N -0.585 120.677 121.223 0.065 0.000 2.249 295 L HA 0.132 4.472 4.340 -0.001 0.000 0.207 295 L C 0.856 177.754 176.870 0.047 0.000 1.090 295 L CA 0.484 55.369 54.840 0.075 0.000 0.802 295 L CB -0.098 42.014 42.059 0.088 0.000 0.947 295 L HN 0.277 nan 8.230 nan 0.000 0.453 296 D N -0.527 119.892 120.400 0.032 0.000 2.435 296 D HA 0.069 4.709 4.640 -0.001 0.000 0.230 296 D C -0.083 176.223 176.300 0.009 0.000 1.215 296 D CA 0.103 54.112 54.000 0.015 0.000 0.947 296 D CB 0.436 41.242 40.800 0.011 0.000 1.048 296 D HN 0.063 nan 8.370 nan 0.000 0.512 297 C N 3.174 122.477 119.300 0.005 0.000 2.849 297 C HA 0.176 4.635 4.460 -0.001 0.000 0.271 297 C C 0.729 175.714 174.990 -0.009 0.000 1.519 297 C CA -0.366 58.651 59.018 -0.000 0.000 1.783 297 C CB -1.504 26.237 27.740 0.001 0.000 2.869 297 C HN 0.644 nan 8.230 nan 0.000 0.527 298 T N -0.705 113.840 114.554 -0.016 0.000 2.855 298 T HA 0.210 4.560 4.350 -0.001 0.000 0.322 298 T C 1.186 175.872 174.700 -0.024 0.000 1.088 298 T CA 0.396 62.478 62.100 -0.029 0.000 1.104 298 T CB 0.903 69.743 68.868 -0.047 0.000 0.996 298 T HN 0.418 nan 8.240 nan 0.000 0.549 299 V N -1.736 118.162 119.914 -0.027 0.000 3.565 299 V HA 0.273 4.392 4.120 -0.001 0.000 0.260 299 V C 1.081 177.161 176.094 -0.024 0.000 1.231 299 V CA 0.499 62.786 62.300 -0.021 0.000 1.100 299 V CB -0.947 30.865 31.823 -0.018 0.000 0.807 299 V HN 1.200 nan 8.190 nan 0.000 0.454 300 T N -3.223 111.312 114.554 -0.033 0.000 2.932 300 T HA 0.627 4.976 4.350 -0.001 0.000 0.289 300 T C -2.053 172.626 174.700 -0.036 0.000 1.039 300 T CA -1.675 60.405 62.100 -0.034 0.000 1.024 300 T CB 2.196 71.040 68.868 -0.040 0.000 1.090 300 T HN 0.008 nan 8.240 nan 0.000 0.496 301 P HA -0.042 nan 4.420 nan 0.000 0.215 301 P C 1.976 179.254 177.300 -0.037 0.000 1.157 301 P CA 1.346 64.429 63.100 -0.028 0.000 0.859 301 P CB -0.248 31.440 31.700 -0.020 0.000 0.786 302 M N -2.113 117.463 119.600 -0.041 0.000 2.346 302 M HA 0.014 4.494 4.480 -0.001 0.000 0.263 302 M C 1.969 178.220 176.300 -0.082 0.000 1.064 302 M CA 2.324 57.594 55.300 -0.049 0.000 1.083 302 M CB -1.647 30.928 32.600 -0.041 0.000 1.399 302 M HN -0.169 nan 8.290 nan 0.000 0.435 303 G N 0.233 108.979 108.800 -0.090 0.000 2.395 303 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.214 303 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.214 303 G C 1.515 176.335 174.900 -0.133 0.000 1.177 303 G CA 0.789 45.808 45.100 -0.134 0.000 0.794 303 G HN 0.514 nan 8.290 nan 0.000 0.532 304 S N 0.403 116.054 115.700 -0.081 0.000 2.372 304 S HA -0.193 4.277 4.470 -0.001 0.000 0.227 304 S C 2.483 177.050 174.600 -0.055 0.000 1.044 304 S CA 1.816 59.982 58.200 -0.057 0.000 1.050 304 S CB -0.247 62.935 63.200 -0.030 0.000 0.901 304 S HN 0.449 nan 8.310 nan 0.000 0.447 305 R N -0.154 120.314 120.500 -0.054 0.000 2.092 305 R HA 0.025 4.365 4.340 -0.001 0.000 0.231 305 R C 2.582 178.842 176.300 -0.066 0.000 1.119 305 R CA 1.567 57.646 56.100 -0.035 0.000 0.970 305 R CB -0.364 29.923 30.300 -0.022 0.000 0.864 305 R HN 0.532 nan 8.270 nan 0.000 0.440 306 M N 0.742 120.250 119.600 -0.154 0.000 2.067 306 M HA -0.160 4.319 4.480 -0.001 0.000 0.260 306 M C 2.123 178.189 176.300 -0.390 0.000 1.069 306 M CA 1.504 56.621 55.300 -0.304 0.000 1.117 306 M CB -0.115 32.210 32.600 -0.458 0.000 1.334 306 M HN 0.157 nan 8.290 nan 0.000 0.407 307 L N 0.698 121.726 121.223 -0.324 0.000 2.012 307 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 307 L C 2.093 178.980 176.870 0.028 0.000 1.073 307 L CA 2.057 56.806 54.840 -0.152 0.000 0.748 307 L CB -0.691 41.313 42.059 -0.092 0.000 0.891 307 L HN 0.260 nan 8.230 nan 0.000 0.431 308 K N -0.909 119.506 120.400 0.024 0.000 2.063 308 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 308 K C 2.213 178.926 176.600 0.188 0.000 1.048 308 K CA 1.830 58.174 56.287 0.094 0.000 0.928 308 K CB -0.170 32.382 32.500 0.088 0.000 0.713 308 K HN 0.348 nan 8.250 nan 0.000 0.442 309 R N -0.461 120.136 120.500 0.161 0.000 2.070 309 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 309 R C 2.126 178.628 176.300 0.338 0.000 1.138 309 R CA 1.648 57.887 56.100 0.233 0.000 0.936 309 R CB -0.403 30.005 30.300 0.180 0.000 0.839 309 R HN 0.268 nan 8.270 nan 0.000 0.429 310 W N 1.137 122.479 121.300 0.070 0.000 2.290 310 W HA -0.203 4.456 4.660 -0.001 0.000 0.318 310 W C 1.973 178.516 176.519 0.039 0.000 1.248 310 W CA 0.827 58.205 57.345 0.054 0.000 1.263 310 W CB -0.940 28.546 29.460 0.043 0.000 1.147 310 W HN 0.084 nan 8.180 nan 0.000 0.494 311 L N -1.208 120.164 121.223 0.248 0.000 2.127 311 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 311 L C 1.896 178.735 176.870 -0.051 0.000 1.089 311 L CA 1.916 56.789 54.840 0.054 0.000 0.757 311 L CB -1.677 40.356 42.059 -0.043 0.000 0.899 311 L HN 0.147 nan 8.230 nan 0.000 0.434 312 H N -3.019 116.109 119.070 0.097 0.000 2.553 312 H HA 0.230 4.785 4.556 -0.001 0.000 0.265 312 H C 0.669 176.023 175.328 0.045 0.000 0.964 312 H CA 0.065 56.147 56.048 0.056 0.000 1.156 312 H CB 0.425 30.218 29.762 0.052 0.000 1.411 312 H HN 0.128 nan 8.280 nan 0.000 0.558 313 M N 1.275 120.972 119.600 0.161 0.000 2.400 313 M HA 0.301 4.780 4.480 -0.001 0.000 0.241 313 M C -2.883 173.438 176.300 0.034 0.000 1.158 313 M CA -1.961 53.394 55.300 0.091 0.000 0.613 313 M CB 1.310 33.972 32.600 0.103 0.000 1.615 313 M HN -0.252 nan 8.290 nan 0.000 0.371 314 P HA 0.132 nan 4.420 nan 0.000 0.271 314 P C -0.736 176.568 177.300 0.007 0.000 1.226 314 P CA -0.150 62.959 63.100 0.017 0.000 0.765 314 P CB 0.639 32.380 31.700 0.067 0.000 0.835 315 V N 5.030 124.916 119.914 -0.047 0.000 2.732 315 V HA 0.217 4.337 4.120 -0.001 0.000 0.297 315 V C 1.651 177.760 176.094 0.026 0.000 1.060 315 V CA -0.080 62.185 62.300 -0.059 0.000 1.038 315 V CB 1.033 32.764 31.823 -0.154 0.000 1.003 315 V HN 0.519 nan 8.190 nan 0.000 0.481 316 R N 0.438 120.947 120.500 0.015 0.000 2.308 316 R HA 0.107 4.446 4.340 -0.001 0.000 0.202 316 R C 0.138 176.404 176.300 -0.057 0.000 0.898 316 R CA -0.122 56.016 56.100 0.064 0.000 1.046 316 R CB 0.195 30.512 30.300 0.028 0.000 1.026 316 R HN 0.870 nan 8.270 nan 0.000 0.512 317 D N 0.587 120.927 120.400 -0.100 0.000 2.358 317 D HA -0.015 4.624 4.640 -0.001 0.000 0.258 317 D C 0.710 176.890 176.300 -0.199 0.000 1.223 317 D CA 0.396 54.319 54.000 -0.127 0.000 0.886 317 D CB 1.298 42.038 40.800 -0.101 0.000 1.120 317 D HN -0.106 nan 8.370 nan 0.000 0.482 318 T N 3.636 118.059 114.554 -0.219 0.000 2.699 318 T HA -0.238 4.111 4.350 -0.001 0.000 0.268 318 T C 1.818 176.392 174.700 -0.210 0.000 1.036 318 T CA 1.379 63.303 62.100 -0.293 0.000 1.147 318 T CB -0.177 68.563 68.868 -0.213 0.000 0.862 318 T HN 0.471 nan 8.240 nan 0.000 0.446 319 R N 0.517 120.936 120.500 -0.135 0.000 2.073 319 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 319 R C 2.353 178.598 176.300 -0.091 0.000 1.134 319 R CA 1.290 57.336 56.100 -0.090 0.000 0.952 319 R CB -0.567 29.695 30.300 -0.064 0.000 0.850 319 R HN 0.248 nan 8.270 nan 0.000 0.433 320 V N 1.258 121.104 119.914 -0.113 0.000 2.295 320 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 320 V C 2.403 178.415 176.094 -0.138 0.000 1.049 320 V CA 1.854 64.082 62.300 -0.120 0.000 1.024 320 V CB -0.507 31.226 31.823 -0.150 0.000 0.648 320 V HN 0.326 nan 8.190 nan 0.000 0.447 321 L N -0.737 120.372 121.223 -0.190 0.000 1.971 321 L HA -0.244 4.095 4.340 -0.001 0.000 0.215 321 L C 2.475 179.310 176.870 -0.058 0.000 1.072 321 L CA 1.810 56.540 54.840 -0.183 0.000 0.758 321 L CB -0.606 41.218 42.059 -0.392 0.000 0.889 321 L HN 0.279 nan 8.230 nan 0.000 0.433 322 L N -0.766 120.422 121.223 -0.058 0.000 2.012 322 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 322 L C 2.618 179.507 176.870 0.032 0.000 1.073 322 L CA 1.360 56.215 54.840 0.025 0.000 0.748 322 L CB -0.548 41.515 42.059 0.008 0.000 0.891 322 L HN 0.307 nan 8.230 nan 0.000 0.431 323 E N -0.119 120.082 120.200 0.002 0.000 2.038 323 E HA -0.254 4.095 4.350 -0.001 0.000 0.195 323 E C 2.351 178.974 176.600 0.038 0.000 1.000 323 E CA 1.239 57.649 56.400 0.016 0.000 0.803 323 E CB -0.100 29.600 29.700 -0.000 0.000 0.750 323 E HN 0.386 nan 8.360 nan 0.000 0.448 324 R N 0.602 121.117 120.500 0.025 0.000 2.117 324 R HA -0.206 4.134 4.340 -0.001 0.000 0.243 324 R C 2.463 178.827 176.300 0.107 0.000 1.143 324 R CA 1.563 57.697 56.100 0.057 0.000 0.968 324 R CB -0.220 30.081 30.300 0.001 0.000 0.863 324 R HN 0.328 nan 8.270 nan 0.000 0.444 325 Q N 0.440 120.317 119.800 0.129 0.000 1.993 325 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 325 Q C 2.074 178.194 176.000 0.201 0.000 0.984 325 Q CA 1.879 57.815 55.803 0.222 0.000 0.837 325 Q CB -0.140 28.720 28.738 0.203 0.000 0.902 325 Q HN 0.460 nan 8.270 nan 0.000 0.423 326 Q N -0.119 119.761 119.800 0.133 0.000 2.500 326 Q HA -0.028 4.311 4.340 -0.001 0.000 0.213 326 Q C 1.305 177.357 176.000 0.087 0.000 0.974 326 Q CA 1.484 57.353 55.803 0.111 0.000 0.918 326 Q CB -0.015 28.769 28.738 0.077 0.000 0.980 326 Q HN 0.086 nan 8.270 nan 0.000 0.505 327 T N 0.518 115.119 114.554 0.079 0.000 2.866 327 T HA 0.117 4.467 4.350 -0.001 0.000 0.250 327 T C 1.679 176.409 174.700 0.049 0.000 1.033 327 T CA 0.835 62.969 62.100 0.057 0.000 1.145 327 T CB -0.154 68.749 68.868 0.059 0.000 0.866 327 T HN 0.229 nan 8.240 nan 0.000 0.434 328 I N 1.527 122.123 120.570 0.043 0.000 2.194 328 I HA -0.189 3.980 4.170 -0.001 0.000 0.246 328 I C 2.750 178.812 176.117 -0.091 0.000 1.093 328 I CA 1.478 62.747 61.300 -0.053 0.000 1.355 328 I CB -0.642 37.268 38.000 -0.150 0.000 1.046 328 I HN 0.330 nan 8.210 nan 0.000 0.413 329 G N 0.171 108.978 108.800 0.013 0.000 2.434 329 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.214 329 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.214 329 G C 1.869 176.827 174.900 0.096 0.000 1.202 329 G CA 0.793 45.948 45.100 0.092 0.000 0.788 329 G HN 0.493 nan 8.290 nan 0.000 0.539 330 A N 0.462 123.345 122.820 0.104 0.000 1.958 330 A HA 0.015 4.334 4.320 -0.001 0.000 0.221 330 A C 2.111 179.822 177.584 0.211 0.000 1.178 330 A CA 1.236 53.350 52.037 0.128 0.000 0.642 330 A CB -0.409 18.633 19.000 0.070 0.000 0.816 330 A HN 0.371 nan 8.150 nan 0.000 0.453 331 L N -0.445 120.869 121.223 0.152 0.000 2.737 331 L HA 0.070 4.410 4.340 -0.001 0.000 0.236 331 L C 2.060 179.054 176.870 0.206 0.000 1.219 331 L CA 0.018 55.002 54.840 0.241 0.000 1.021 331 L CB -0.257 41.854 42.059 0.087 0.000 1.291 331 L HN 0.545 nan 8.230 nan 0.000 0.470 332 Q N 0.347 120.215 119.800 0.114 0.000 2.119 332 Q HA -0.179 4.161 4.340 -0.001 0.000 0.201 332 Q C 0.986 176.871 176.000 -0.192 0.000 0.972 332 Q CA 1.553 57.331 55.803 -0.042 0.000 0.847 332 Q CB 0.383 29.109 28.738 -0.020 0.000 0.903 332 Q HN 0.535 nan 8.270 nan 0.000 0.433 333 D N -0.734 119.496 120.400 -0.284 0.000 2.301 333 D HA -0.043 4.597 4.640 -0.001 0.000 0.206 333 D C 0.722 176.733 176.300 -0.481 0.000 0.979 333 D CA 0.578 54.270 54.000 -0.513 0.000 0.874 333 D CB -0.042 40.325 40.800 -0.721 0.000 0.968 333 D HN 0.260 nan 8.370 nan 0.000 0.510 334 F N 1.103 120.994 119.950 -0.099 0.000 2.731 334 F HA 0.092 4.618 4.527 -0.001 0.000 0.304 334 F C 1.746 177.500 175.800 -0.077 0.000 1.133 334 F CA 0.208 58.164 58.000 -0.074 0.000 1.380 334 F CB -0.551 38.418 39.000 -0.051 0.000 1.079 334 F HN -0.149 nan 8.300 nan 0.000 0.550 335 T N -3.038 111.524 114.554 0.013 0.000 3.317 335 T HA 0.393 4.742 4.350 -0.001 0.000 0.250 335 T C 1.356 176.030 174.700 -0.044 0.000 1.106 335 T CA 0.575 62.663 62.100 -0.020 0.000 0.986 335 T CB 0.084 68.912 68.868 -0.067 0.000 1.010 335 T HN 0.265 nan 8.240 nan 0.000 0.560 336 A N 0.485 123.280 122.820 -0.042 0.000 2.066 336 A HA 0.684 5.003 4.320 -0.001 0.000 0.198 336 A C 2.252 179.833 177.584 -0.006 0.000 1.405 336 A CA 0.430 52.447 52.037 -0.034 0.000 0.973 336 A CB -0.588 18.377 19.000 -0.058 0.000 1.026 336 A HN 0.493 nan 8.150 nan 0.000 0.474 337 G N 0.293 109.103 108.800 0.018 0.000 2.403 337 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.216 337 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.216 337 G C 1.488 176.412 174.900 0.039 0.000 1.154 337 G CA 1.131 46.256 45.100 0.041 0.000 0.784 337 G HN 0.350 nan 8.290 nan 0.000 0.538 338 L N -0.594 120.657 121.223 0.047 0.000 2.071 338 L HA 0.013 4.352 4.340 -0.001 0.000 0.201 338 L C 3.088 179.962 176.870 0.007 0.000 1.076 338 L CA 0.691 55.546 54.840 0.025 0.000 0.755 338 L CB -0.657 41.418 42.059 0.027 0.000 0.915 338 L HN 0.164 nan 8.230 nan 0.000 0.445 339 Q N 0.271 120.074 119.800 0.005 0.000 2.065 339 Q HA -0.246 4.093 4.340 -0.001 0.000 0.213 339 Q C -0.542 175.454 176.000 -0.007 0.000 1.012 339 Q CA 2.456 58.256 55.803 -0.005 0.000 0.876 339 Q CB -1.397 27.337 28.738 -0.007 0.000 0.954 339 Q HN 0.435 nan 8.270 nan 0.000 0.413 340 P HA -0.057 nan 4.420 nan 0.000 0.223 340 P C 1.355 178.653 177.300 -0.005 0.000 1.151 340 P CA 1.071 64.170 63.100 -0.002 0.000 0.787 340 P CB 0.023 31.724 31.700 0.003 0.000 0.788 341 V N 0.014 119.923 119.914 -0.008 0.000 2.591 341 V HA -0.129 3.990 4.120 -0.001 0.000 0.249 341 V C 2.710 178.783 176.094 -0.036 0.000 1.053 341 V CA 1.138 63.425 62.300 -0.020 0.000 1.068 341 V CB -0.988 30.827 31.823 -0.013 0.000 0.689 341 V HN 0.018 nan 8.190 nan 0.000 0.462 342 L N -0.157 121.050 121.223 -0.027 0.000 2.072 342 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 342 L C 2.711 179.558 176.870 -0.038 0.000 1.079 342 L CA 1.593 56.413 54.840 -0.033 0.000 0.752 342 L CB -0.612 41.431 42.059 -0.026 0.000 0.906 342 L HN 0.265 nan 8.230 nan 0.000 0.436 343 R N 0.123 120.607 120.500 -0.027 0.000 2.119 343 R HA -0.230 4.110 4.340 -0.001 0.000 0.246 343 R C 2.203 178.489 176.300 -0.023 0.000 1.146 343 R CA 1.627 57.715 56.100 -0.019 0.000 0.962 343 R CB -0.046 30.250 30.300 -0.006 0.000 0.863 343 R HN 0.368 nan 8.270 nan 0.000 0.442 344 Q N -0.111 119.665 119.800 -0.041 0.000 2.369 344 Q HA -0.048 4.292 4.340 -0.001 0.000 0.206 344 Q C 2.120 178.028 176.000 -0.154 0.000 0.963 344 Q CA 0.925 56.683 55.803 -0.074 0.000 0.894 344 Q CB 0.134 28.786 28.738 -0.144 0.000 0.965 344 Q HN 0.316 nan 8.270 nan 0.000 0.475 345 V N 0.019 119.860 119.914 -0.122 0.000 2.515 345 V HA -0.069 4.051 4.120 -0.001 0.000 0.250 345 V C 1.433 177.475 176.094 -0.086 0.000 1.058 345 V CA 1.187 63.416 62.300 -0.118 0.000 1.064 345 V CB -1.440 30.335 31.823 -0.079 0.000 0.675 345 V HN 0.500 nan 8.190 nan 0.000 0.461 346 G N 0.532 109.300 108.800 -0.055 0.000 2.697 346 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.240 346 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.240 346 G C -0.117 174.756 174.900 -0.044 0.000 1.346 346 G CA 0.186 45.264 45.100 -0.037 0.000 0.887 346 G HN 0.397 nan 8.290 nan 0.000 0.569 347 D N 0.440 120.818 120.400 -0.037 0.000 2.767 347 D HA 0.207 4.847 4.640 -0.001 0.000 0.231 347 D C 1.945 178.217 176.300 -0.048 0.000 1.105 347 D CA -0.163 53.816 54.000 -0.036 0.000 1.024 347 D CB -0.032 40.753 40.800 -0.025 0.000 1.123 347 D HN 0.428 nan 8.370 nan 0.000 0.470 348 L N 1.507 122.692 121.223 -0.064 0.000 2.127 348 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 348 L C 2.051 178.885 176.870 -0.060 0.000 1.089 348 L CA 1.627 56.414 54.840 -0.088 0.000 0.757 348 L CB -0.186 41.808 42.059 -0.109 0.000 0.899 348 L HN 0.273 nan 8.230 nan 0.000 0.434 349 E N -0.467 119.713 120.200 -0.034 0.000 2.033 349 E HA -0.302 4.047 4.350 -0.001 0.000 0.199 349 E C 2.285 178.883 176.600 -0.002 0.000 1.011 349 E CA 1.851 58.245 56.400 -0.009 0.000 0.815 349 E CB -0.064 29.636 29.700 -0.001 0.000 0.755 349 E HN 0.507 nan 8.360 nan 0.000 0.451 350 R N -0.105 120.390 120.500 -0.008 0.000 2.119 350 R HA 0.010 4.349 4.340 -0.001 0.000 0.222 350 R C 2.570 178.859 176.300 -0.019 0.000 1.088 350 R CA 0.920 57.018 56.100 -0.003 0.000 0.984 350 R CB -0.226 30.073 30.300 -0.002 0.000 0.884 350 R HN 0.290 nan 8.270 nan 0.000 0.447 351 I N 1.248 121.797 120.570 -0.033 0.000 2.194 351 I HA -0.338 3.831 4.170 -0.001 0.000 0.246 351 I C 2.090 178.180 176.117 -0.045 0.000 1.093 351 I CA 1.555 62.829 61.300 -0.043 0.000 1.355 351 I CB -0.269 37.685 38.000 -0.076 0.000 1.046 351 I HN 0.186 nan 8.210 nan 0.000 0.413 352 L N 0.086 121.278 121.223 -0.052 0.000 2.291 352 L HA -0.128 4.211 4.340 -0.001 0.000 0.214 352 L C 2.770 179.595 176.870 -0.074 0.000 1.120 352 L CA 0.778 55.588 54.840 -0.050 0.000 0.799 352 L CB -0.696 41.342 42.059 -0.036 0.000 0.925 352 L HN 0.246 nan 8.230 nan 0.000 0.446 353 A N 0.612 123.390 122.820 -0.070 0.000 1.855 353 A HA -0.179 4.141 4.320 -0.001 0.000 0.215 353 A C 2.387 179.852 177.584 -0.198 0.000 1.191 353 A CA 1.235 53.177 52.037 -0.159 0.000 0.613 353 A CB -0.395 18.594 19.000 -0.018 0.000 0.829 353 A HN 0.303 nan 8.150 nan 0.000 0.442 354 R N -0.996 119.457 120.500 -0.078 0.000 2.152 354 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 354 R C 2.049 178.353 176.300 0.008 0.000 1.117 354 R CA 1.319 57.398 56.100 -0.036 0.000 0.981 354 R CB -0.535 29.775 30.300 0.017 0.000 0.870 354 R HN 0.517 nan 8.270 nan 0.000 0.451 355 L N 0.697 121.944 121.223 0.040 0.000 2.056 355 L HA -0.008 4.331 4.340 -0.001 0.000 0.207 355 L C 2.256 179.144 176.870 0.030 0.000 1.078 355 L CA 1.764 56.701 54.840 0.161 0.000 0.749 355 L CB -0.537 41.579 42.059 0.095 0.000 0.901 355 L HN 0.071 nan 8.230 nan 0.000 0.433 356 A N -0.284 122.453 122.820 -0.138 0.000 1.902 356 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 356 A C 2.142 179.594 177.584 -0.220 0.000 1.181 356 A CA 1.996 53.892 52.037 -0.236 0.000 0.623 356 A CB -0.945 17.681 19.000 -0.623 0.000 0.818 356 A HN 0.509 nan 8.150 nan 0.000 0.443 357 L N -1.831 119.246 121.223 -0.243 0.000 2.599 357 L HA 0.098 4.437 4.340 -0.001 0.000 0.230 357 L C 0.622 177.363 176.870 -0.215 0.000 1.141 357 L CA 0.050 54.784 54.840 -0.177 0.000 0.877 357 L CB -0.204 41.772 42.059 -0.138 0.000 1.009 357 L HN 0.359 nan 8.230 nan 0.000 0.447 358 R N -0.814 119.495 120.500 -0.318 0.000 3.416 358 R HA -0.204 4.136 4.340 -0.001 0.000 0.263 358 R C 0.794 176.771 176.300 -0.538 0.000 1.053 358 R CA 0.790 56.453 56.100 -0.729 0.000 0.705 358 R CB -2.291 27.623 30.300 -0.643 0.000 1.124 358 R HN 0.155 nan 8.270 nan 0.000 0.444 359 T N -1.379 113.032 114.554 -0.238 0.000 3.043 359 T HA 0.355 4.705 4.350 -0.001 0.000 0.272 359 T C 0.365 175.113 174.700 0.081 0.000 0.990 359 T CA 0.503 62.562 62.100 -0.068 0.000 0.897 359 T CB 0.346 69.180 68.868 -0.056 0.000 1.111 359 T HN 0.480 nan 8.240 nan 0.000 0.529 360 A N 2.018 124.973 122.820 0.225 0.000 2.488 360 A HA 0.520 4.840 4.320 -0.001 0.000 0.249 360 A C 0.374 178.167 177.584 0.349 0.000 1.083 360 A CA -0.057 52.147 52.037 0.278 0.000 0.768 360 A CB 0.158 19.343 19.000 0.308 0.000 1.017 360 A HN 0.519 nan 8.150 nan 0.000 0.496 361 R N 3.356 123.975 120.500 0.199 0.000 2.615 361 R HA 0.229 4.568 4.340 -0.001 0.000 0.270 361 R C -1.488 174.921 176.300 0.182 0.000 1.081 361 R CA -1.500 54.694 56.100 0.156 0.000 1.154 361 R CB 0.283 30.619 30.300 0.061 0.000 1.063 361 R HN 0.518 nan 8.270 nan 0.000 0.519 362 P HA -0.222 nan 4.420 nan 0.000 0.216 362 P C 0.509 177.852 177.300 0.072 0.000 1.154 362 P CA 1.620 64.798 63.100 0.131 0.000 0.865 362 P CB 0.082 31.761 31.700 -0.036 0.000 0.789 363 R N -0.643 119.874 120.500 0.029 0.000 2.237 363 R HA -0.068 4.271 4.340 -0.001 0.000 0.219 363 R C 1.808 178.111 176.300 0.005 0.000 1.080 363 R CA 0.873 56.977 56.100 0.007 0.000 0.995 363 R CB -0.483 29.814 30.300 -0.006 0.000 0.875 363 R HN 0.275 nan 8.270 nan 0.000 0.462 364 D N 0.853 121.266 120.400 0.022 0.000 2.123 364 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 364 D C 2.007 178.287 176.300 -0.032 0.000 0.976 364 D CA 0.957 54.958 54.000 0.002 0.000 0.831 364 D CB -0.008 40.809 40.800 0.028 0.000 0.974 364 D HN 0.186 nan 8.370 nan 0.000 0.469 365 L N 0.921 122.129 121.223 -0.024 0.000 2.046 365 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 365 L C 2.667 179.504 176.870 -0.055 0.000 1.077 365 L CA 1.012 55.806 54.840 -0.076 0.000 0.747 365 L CB -0.667 41.333 42.059 -0.099 0.000 0.896 365 L HN -0.038 nan 8.230 nan 0.000 0.432 366 A N 0.619 123.426 122.820 -0.023 0.000 1.873 366 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 366 A C 2.396 179.976 177.584 -0.006 0.000 1.193 366 A CA 1.812 53.840 52.037 -0.015 0.000 0.629 366 A CB -0.563 18.427 19.000 -0.017 0.000 0.826 366 A HN 0.355 nan 8.150 nan 0.000 0.447 367 R N -1.414 119.077 120.500 -0.015 0.000 2.189 367 R HA 0.023 4.362 4.340 -0.001 0.000 0.218 367 R C 2.238 178.500 176.300 -0.064 0.000 1.074 367 R CA 1.167 57.271 56.100 0.007 0.000 0.991 367 R CB -0.334 29.963 30.300 -0.004 0.000 0.883 367 R HN 0.733 nan 8.270 nan 0.000 0.457 368 M N 0.631 120.143 119.600 -0.148 0.000 2.123 368 M HA -0.166 4.313 4.480 -0.001 0.000 0.263 368 M C 2.435 178.472 176.300 -0.437 0.000 1.069 368 M CA 1.527 56.617 55.300 -0.351 0.000 1.133 368 M CB -0.049 32.342 32.600 -0.348 0.000 1.356 368 M HN -0.034 nan 8.290 nan 0.000 0.415 369 R N -0.943 119.471 120.500 -0.144 0.000 2.080 369 R HA -0.277 4.062 4.340 -0.001 0.000 0.236 369 R C 2.275 178.630 176.300 0.092 0.000 1.137 369 R CA 2.410 58.545 56.100 0.059 0.000 0.943 369 R CB -0.785 29.567 30.300 0.087 0.000 0.846 369 R HN 0.506 nan 8.270 nan 0.000 0.431 370 H N 0.136 119.183 119.070 -0.039 0.000 2.426 370 H HA -0.053 4.503 4.556 -0.001 0.000 0.298 370 H C 1.635 176.950 175.328 -0.021 0.000 1.107 370 H CA 1.970 58.007 56.048 -0.018 0.000 1.298 370 H CB -0.234 29.509 29.762 -0.031 0.000 1.377 370 H HN 0.431 nan 8.280 nan 0.000 0.519 371 A N -0.350 122.367 122.820 -0.173 0.000 1.897 371 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 371 A C 2.052 179.595 177.584 -0.069 0.000 1.181 371 A CA 1.107 53.012 52.037 -0.220 0.000 0.620 371 A CB -0.888 17.960 19.000 -0.253 0.000 0.821 371 A HN 0.383 nan 8.150 nan 0.000 0.443 372 F N 0.612 120.550 119.950 -0.020 0.000 2.202 372 F HA -0.171 4.355 4.527 -0.001 0.000 0.301 372 F C 2.551 178.358 175.800 0.012 0.000 1.082 372 F CA 1.405 59.421 58.000 0.027 0.000 1.313 372 F CB -0.821 38.205 39.000 0.044 0.000 1.024 372 F HN 0.357 nan 8.300 nan 0.000 0.495 373 Q N -0.532 119.375 119.800 0.179 0.000 2.364 373 Q HA -0.150 4.190 4.340 -0.001 0.000 0.207 373 Q C 1.751 177.775 176.000 0.040 0.000 0.970 373 Q CA 0.772 56.636 55.803 0.101 0.000 0.888 373 Q CB -0.116 28.687 28.738 0.107 0.000 0.951 373 Q HN 0.420 nan 8.270 nan 0.000 0.469 374 Q N -0.095 119.703 119.800 -0.003 0.000 2.424 374 Q HA 0.056 4.395 4.340 -0.001 0.000 0.204 374 Q C 1.884 177.892 176.000 0.015 0.000 0.933 374 Q CA 0.421 56.210 55.803 -0.024 0.000 0.929 374 Q CB 0.279 28.964 28.738 -0.088 0.000 1.037 374 Q HN 0.444 nan 8.270 nan 0.000 0.511 375 L N 1.026 122.285 121.223 0.060 0.000 2.093 375 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 375 L C -0.542 176.339 176.870 0.019 0.000 1.085 375 L CA 1.136 56.012 54.840 0.061 0.000 0.755 375 L CB -1.653 40.480 42.059 0.124 0.000 0.904 375 L HN 0.131 nan 8.230 nan 0.000 0.435 376 P HA -0.124 nan 4.420 nan 0.000 0.225 376 P C 1.203 178.500 177.300 -0.004 0.000 1.156 376 P CA 0.888 63.985 63.100 -0.005 0.000 0.787 376 P CB 0.145 31.843 31.700 -0.004 0.000 0.802 377 E N 0.174 120.376 120.200 0.003 0.000 2.208 377 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 377 E C 1.721 178.318 176.600 -0.004 0.000 0.988 377 E CA 1.055 57.456 56.400 0.001 0.000 0.828 377 E CB -1.084 28.619 29.700 0.004 0.000 0.763 377 E HN 0.172 nan 8.360 nan 0.000 0.478 378 L N -0.663 120.555 121.223 -0.007 0.000 2.202 378 L HA 0.173 4.512 4.340 -0.001 0.000 0.205 378 L C 2.670 179.523 176.870 -0.027 0.000 1.083 378 L CA 0.427 55.258 54.840 -0.015 0.000 0.790 378 L CB -0.278 41.774 42.059 -0.012 0.000 0.942 378 L HN -0.011 nan 8.230 nan 0.000 0.452 379 R N 0.416 120.901 120.500 -0.025 0.000 2.096 379 R HA -0.191 4.148 4.340 -0.001 0.000 0.240 379 R C 2.346 178.623 176.300 -0.039 0.000 1.139 379 R CA 1.664 57.742 56.100 -0.037 0.000 0.952 379 R CB -0.454 29.823 30.300 -0.039 0.000 0.854 379 R HN 0.361 nan 8.270 nan 0.000 0.436 380 A N 0.436 123.240 122.820 -0.028 0.000 2.015 380 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 380 A C 1.933 179.502 177.584 -0.025 0.000 1.163 380 A CA 1.104 53.128 52.037 -0.023 0.000 0.646 380 A CB -0.216 18.777 19.000 -0.011 0.000 0.806 380 A HN 0.368 nan 8.150 nan 0.000 0.448 381 Q N -0.655 119.127 119.800 -0.029 0.000 2.062 381 Q HA 0.060 4.399 4.340 -0.001 0.000 0.196 381 Q C 1.909 177.841 176.000 -0.115 0.000 0.967 381 Q CA 1.085 56.866 55.803 -0.037 0.000 0.832 381 Q CB -0.179 28.549 28.738 -0.016 0.000 0.899 381 Q HN 0.670 nan 8.270 nan 0.000 0.442 382 L N 0.634 121.784 121.223 -0.121 0.000 2.376 382 L HA -0.101 4.239 4.340 -0.001 0.000 0.219 382 L C 2.270 179.048 176.870 -0.154 0.000 1.133 382 L CA 0.541 55.277 54.840 -0.174 0.000 0.816 382 L CB -0.303 41.684 42.059 -0.121 0.000 0.933 382 L HN 0.313 nan 8.230 nan 0.000 0.449 383 E N 0.176 120.314 120.200 -0.103 0.000 2.058 383 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 383 E C 2.131 178.679 176.600 -0.086 0.000 0.997 383 E CA 1.922 58.276 56.400 -0.077 0.000 0.801 383 E CB 0.042 29.711 29.700 -0.050 0.000 0.746 383 E HN 0.276 nan 8.360 nan 0.000 0.450 384 T N -0.018 114.481 114.554 -0.092 0.000 2.665 384 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 384 T C 0.651 175.285 174.700 -0.111 0.000 1.035 384 T CA 0.897 62.959 62.100 -0.064 0.000 1.151 384 T CB -0.161 68.708 68.868 0.002 0.000 0.862 384 T HN -0.038 nan 8.240 nan 0.000 0.438 385 V N 3.159 122.902 119.914 -0.285 0.000 2.493 385 V HA 0.063 4.182 4.120 -0.001 0.000 0.292 385 V C 0.406 176.420 176.094 -0.133 0.000 1.016 385 V CA -0.145 61.957 62.300 -0.330 0.000 1.097 385 V CB 0.738 32.227 31.823 -0.557 0.000 0.947 385 V HN 0.408 nan 8.190 nan 0.000 0.479 386 D N 4.182 124.553 120.400 -0.048 0.000 2.558 386 D HA 0.216 4.856 4.640 -0.001 0.000 0.221 386 D C -0.084 176.211 176.300 -0.008 0.000 1.143 386 D CA 0.379 54.371 54.000 -0.013 0.000 1.010 386 D CB 0.252 41.064 40.800 0.019 0.000 1.068 386 D HN 0.534 nan 8.370 nan 0.000 0.511 387 S N 1.602 117.286 115.700 -0.027 0.000 2.750 387 S HA 0.540 5.009 4.470 -0.001 0.000 0.276 387 S C 0.917 175.508 174.600 -0.014 0.000 1.165 387 S CA -0.175 58.017 58.200 -0.014 0.000 1.047 387 S CB 0.940 64.126 63.200 -0.022 0.000 1.056 387 S HN 0.276 nan 8.310 nan 0.000 0.481 388 A N 6.436 129.255 122.820 -0.002 0.000 1.908 388 A HA 0.084 4.404 4.320 -0.001 0.000 0.218 388 A C -0.766 176.817 177.584 -0.002 0.000 1.181 388 A CA 1.715 53.750 52.037 -0.003 0.000 0.627 388 A CB -1.640 17.362 19.000 0.002 0.000 0.818 388 A HN 0.672 nan 8.150 nan 0.000 0.445 389 P HA -0.031 nan 4.420 nan 0.000 0.218 389 P C 1.554 178.858 177.300 0.006 0.000 1.152 389 P CA 0.907 64.014 63.100 0.011 0.000 0.826 389 P CB -0.115 31.600 31.700 0.024 0.000 0.790 390 V N 0.093 120.003 119.914 -0.007 0.000 2.407 390 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 390 V C 2.525 178.597 176.094 -0.036 0.000 1.055 390 V CA 1.678 63.962 62.300 -0.027 0.000 1.049 390 V CB -1.125 30.662 31.823 -0.061 0.000 0.662 390 V HN 0.128 nan 8.190 nan 0.000 0.455 391 Q N 0.047 119.826 119.800 -0.036 0.000 2.084 391 Q HA -0.116 4.224 4.340 -0.001 0.000 0.202 391 Q C 2.455 178.441 176.000 -0.023 0.000 0.978 391 Q CA 1.907 57.688 55.803 -0.036 0.000 0.844 391 Q CB -0.755 27.963 28.738 -0.033 0.000 0.898 391 Q HN 0.649 nan 8.270 nan 0.000 0.426 392 A N 0.649 123.462 122.820 -0.012 0.000 1.933 392 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 392 A C 2.253 179.839 177.584 0.003 0.000 1.175 392 A CA 0.998 53.033 52.037 -0.003 0.000 0.628 392 A CB -0.631 18.371 19.000 0.004 0.000 0.814 392 A HN 0.301 nan 8.150 nan 0.000 0.444 393 L N -1.353 119.874 121.223 0.007 0.000 2.072 393 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 393 L C 2.786 179.657 176.870 0.002 0.000 1.079 393 L CA 1.407 56.256 54.840 0.015 0.000 0.752 393 L CB -0.365 41.707 42.059 0.021 0.000 0.906 393 L HN 0.423 nan 8.230 nan 0.000 0.436 394 R N 0.201 120.692 120.500 -0.016 0.000 2.081 394 R HA -0.250 4.090 4.340 -0.001 0.000 0.235 394 R C 2.243 178.523 176.300 -0.033 0.000 1.131 394 R CA 1.893 57.977 56.100 -0.028 0.000 0.960 394 R CB -0.083 30.191 30.300 -0.043 0.000 0.856 394 R HN 0.225 nan 8.270 nan 0.000 0.436 395 E N 0.989 121.170 120.200 -0.031 0.000 2.085 395 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 395 E C 1.771 178.351 176.600 -0.033 0.000 0.994 395 E CA 1.896 58.273 56.400 -0.038 0.000 0.801 395 E CB -0.098 29.585 29.700 -0.028 0.000 0.743 395 E HN 0.264 nan 8.360 nan 0.000 0.453 396 K N -0.470 119.926 120.400 -0.006 0.000 2.057 396 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 396 K C 2.312 178.932 176.600 0.033 0.000 1.050 396 K CA 1.385 57.683 56.287 0.019 0.000 0.935 396 K CB -0.246 32.277 32.500 0.038 0.000 0.715 396 K HN 0.264 nan 8.250 nan 0.000 0.439 397 M N 0.180 119.796 119.600 0.026 0.000 2.082 397 M HA -0.139 4.340 4.480 -0.001 0.000 0.258 397 M C 0.895 177.210 176.300 0.025 0.000 1.069 397 M CA 2.175 57.508 55.300 0.055 0.000 1.102 397 M CB -0.503 32.116 32.600 0.031 0.000 1.336 397 M HN 0.417 nan 8.290 nan 0.000 0.404 398 G N -0.282 108.455 108.800 -0.105 0.000 2.642 398 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.231 398 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.231 398 G C 0.008 174.721 174.900 -0.311 0.000 1.338 398 G CA 0.304 45.208 45.100 -0.327 0.000 0.883 398 G HN 0.571 nan 8.290 nan 0.000 0.570 399 E N -2.432 117.428 120.200 -0.566 0.000 2.879 399 E HA 0.385 4.734 4.350 -0.001 0.000 0.206 399 E C 0.272 176.689 176.600 -0.305 0.000 0.969 399 E CA 0.107 56.325 56.400 -0.302 0.000 1.496 399 E CB 0.374 29.932 29.700 -0.236 0.000 1.454 399 E HN 0.934 nan 8.360 nan 0.000 0.750 400 F N 0.244 120.020 119.950 -0.290 0.000 2.891 400 F HA -0.276 4.250 4.527 -0.001 0.000 0.272 400 F C 0.982 176.494 175.800 -0.479 0.000 1.004 400 F CA 0.348 58.050 58.000 -0.497 0.000 0.938 400 F CB -1.918 36.554 39.000 -0.881 0.000 0.939 400 F HN 0.197 nan 8.300 nan 0.000 0.833 401 A N -0.034 122.662 122.820 -0.208 0.000 1.883 401 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 401 A C 2.076 179.582 177.584 -0.130 0.000 1.186 401 A CA 2.102 54.053 52.037 -0.144 0.000 0.624 401 A CB -0.346 18.586 19.000 -0.113 0.000 0.822 401 A HN 0.659 nan 8.150 nan 0.000 0.444 402 E N 0.121 120.241 120.200 -0.134 0.000 2.106 402 E HA -0.080 4.269 4.350 -0.001 0.000 0.192 402 E C 1.889 178.431 176.600 -0.097 0.000 0.984 402 E CA 1.206 57.548 56.400 -0.096 0.000 0.806 402 E CB -0.295 29.351 29.700 -0.090 0.000 0.750 402 E HN 0.633 nan 8.360 nan 0.000 0.458 403 L N 0.448 121.563 121.223 -0.180 0.000 2.131 403 L HA 0.010 4.350 4.340 -0.001 0.000 0.206 403 L C 2.701 179.511 176.870 -0.100 0.000 1.087 403 L CA 0.699 55.443 54.840 -0.159 0.000 0.767 403 L CB -0.358 41.540 42.059 -0.269 0.000 0.917 403 L HN 0.070 nan 8.230 nan 0.000 0.441 404 R N 0.761 121.135 120.500 -0.209 0.000 2.105 404 R HA -0.246 4.093 4.340 -0.001 0.000 0.239 404 R C 1.828 178.161 176.300 0.055 0.000 1.135 404 R CA 2.268 58.388 56.100 0.033 0.000 0.967 404 R CB -0.209 30.096 30.300 0.008 0.000 0.861 404 R HN 0.339 nan 8.270 nan 0.000 0.442 405 D N 0.089 120.494 120.400 0.008 0.000 2.078 405 D HA -0.216 4.424 4.640 -0.001 0.000 0.193 405 D C 1.986 178.322 176.300 0.059 0.000 0.990 405 D CA 1.344 55.362 54.000 0.030 0.000 0.827 405 D CB -0.128 40.679 40.800 0.013 0.000 0.975 405 D HN 0.186 nan 8.370 nan 0.000 0.451 406 L N 0.183 121.443 121.223 0.061 0.000 2.051 406 L HA -0.149 4.190 4.340 -0.001 0.000 0.214 406 L C 2.141 179.042 176.870 0.052 0.000 1.076 406 L CA 1.564 56.464 54.840 0.100 0.000 0.758 406 L CB -0.377 41.735 42.059 0.087 0.000 0.890 406 L HN 0.254 nan 8.230 nan 0.000 0.433 407 L N -1.271 119.977 121.223 0.041 0.000 2.291 407 L HA -0.133 4.206 4.340 -0.001 0.000 0.214 407 L C 2.361 179.237 176.870 0.010 0.000 1.120 407 L CA 0.837 55.683 54.840 0.008 0.000 0.799 407 L CB -0.442 41.653 42.059 0.059 0.000 0.925 407 L HN 0.365 nan 8.230 nan 0.000 0.446 408 E N -0.061 120.164 120.200 0.043 0.000 2.107 408 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 408 E C 2.302 178.926 176.600 0.039 0.000 0.982 408 E CA 0.747 57.172 56.400 0.041 0.000 0.809 408 E CB 0.152 29.884 29.700 0.054 0.000 0.756 408 E HN 0.393 nan 8.360 nan 0.000 0.459 409 R N 0.133 120.676 120.500 0.072 0.000 2.100 409 R HA 0.071 4.410 4.340 -0.001 0.000 0.220 409 R C 2.262 178.601 176.300 0.065 0.000 1.091 409 R CA 0.913 57.099 56.100 0.144 0.000 0.986 409 R CB -0.062 30.398 30.300 0.267 0.000 0.888 409 R HN 0.057 nan 8.270 nan 0.000 0.444 410 A N 0.928 123.610 122.820 -0.229 0.000 1.929 410 A HA 0.069 4.388 4.320 -0.001 0.000 0.216 410 A C 1.093 178.422 177.584 -0.425 0.000 1.176 410 A CA 0.780 52.274 52.037 -0.905 0.000 0.628 410 A CB 0.092 18.499 19.000 -0.988 0.000 0.816 410 A HN 0.092 nan 8.150 nan 0.000 0.444 411 I N -0.213 120.239 120.570 -0.197 0.000 2.740 411 I HA 0.359 4.529 4.170 -0.001 0.000 0.303 411 I C 0.043 176.132 176.117 -0.046 0.000 1.044 411 I CA -1.214 60.029 61.300 -0.096 0.000 1.064 411 I CB 2.026 39.991 38.000 -0.059 0.000 1.249 411 I HN 0.449 nan 8.210 nan 0.000 0.433 412 I N -0.018 120.536 120.570 -0.027 0.000 3.269 412 I HA 0.174 4.343 4.170 -0.001 0.000 0.287 412 I C 1.202 177.310 176.117 -0.016 0.000 1.152 412 I CA -0.118 61.173 61.300 -0.015 0.000 1.263 412 I CB 0.342 38.335 38.000 -0.012 0.000 1.439 412 I HN 0.618 nan 8.210 nan 0.000 0.637 413 D N 1.654 122.047 120.400 -0.013 0.000 2.242 413 D HA -0.205 4.434 4.640 -0.001 0.000 0.193 413 D C 0.534 176.815 176.300 -0.031 0.000 1.005 413 D CA 2.470 56.459 54.000 -0.019 0.000 0.856 413 D CB -0.095 40.694 40.800 -0.018 0.000 1.001 413 D HN 0.847 nan 8.370 nan 0.000 0.452 414 T N 0.132 114.668 114.554 -0.031 0.000 3.038 414 T HA 0.503 4.853 4.350 -0.001 0.000 0.344 414 T C -2.478 172.204 174.700 -0.031 0.000 1.054 414 T CA -1.431 60.647 62.100 -0.037 0.000 1.092 414 T CB 2.278 71.120 68.868 -0.044 0.000 1.031 414 T HN -0.007 nan 8.240 nan 0.000 0.482 415 P HA 0.503 nan 4.420 nan 0.000 0.278 415 P C -2.500 174.779 177.300 -0.034 0.000 1.266 415 P CA -1.658 61.424 63.100 -0.030 0.000 0.807 415 P CB 0.107 31.792 31.700 -0.025 0.000 1.094 416 P HA 0.015 nan 4.420 nan 0.000 0.275 416 P C 0.968 178.239 177.300 -0.047 0.000 1.270 416 P CA -0.220 62.853 63.100 -0.045 0.000 0.791 416 P CB 0.503 32.171 31.700 -0.052 0.000 1.089 417 V N -0.672 119.215 119.914 -0.045 0.000 2.283 417 V HA -0.094 4.025 4.120 -0.001 0.000 0.243 417 V C 1.390 177.455 176.094 -0.048 0.000 1.039 417 V CA 1.603 63.880 62.300 -0.038 0.000 1.016 417 V CB -0.762 31.041 31.823 -0.033 0.000 0.650 417 V HN 0.314 nan 8.190 nan 0.000 0.449 418 L N -0.956 120.227 121.223 -0.066 0.000 2.322 418 L HA 0.391 4.730 4.340 -0.001 0.000 0.269 418 L C 1.141 177.925 176.870 -0.144 0.000 1.012 418 L CA -0.558 54.230 54.840 -0.088 0.000 0.815 418 L CB 1.791 43.813 42.059 -0.062 0.000 1.295 418 L HN -0.027 nan 8.230 nan 0.000 0.438 419 V N -0.897 118.877 119.914 -0.232 0.000 2.270 419 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 419 V C 2.256 178.262 176.094 -0.146 0.000 1.043 419 V CA 1.146 63.275 62.300 -0.286 0.000 1.014 419 V CB -0.931 30.605 31.823 -0.479 0.000 0.645 419 V HN 0.887 nan 8.190 nan 0.000 0.447 420 R N 1.858 122.300 120.500 -0.097 0.000 2.310 420 R HA -0.331 4.009 4.340 -0.001 0.000 0.188 420 R C 0.577 176.856 176.300 -0.035 0.000 1.034 420 R CA 2.952 59.029 56.100 -0.038 0.000 0.330 420 R CB -1.128 29.163 30.300 -0.015 0.000 0.678 420 R HN 0.871 nan 8.270 nan 0.000 0.243 421 D N -0.548 119.828 120.400 -0.040 0.000 2.514 421 D HA 0.464 5.103 4.640 -0.001 0.000 0.267 421 D C 0.415 176.690 176.300 -0.042 0.000 1.165 421 D CA 0.279 54.259 54.000 -0.033 0.000 0.958 421 D CB 0.929 41.717 40.800 -0.020 0.000 0.992 421 D HN 0.743 nan 8.370 nan 0.000 0.506 422 G N 0.658 109.429 108.800 -0.048 0.000 2.801 422 G HA2 0.184 4.143 3.960 -0.001 0.000 0.244 422 G HA3 0.184 4.143 3.960 -0.001 0.000 0.244 422 G C 0.854 175.728 174.900 -0.044 0.000 1.385 422 G CA 0.049 45.125 45.100 -0.040 0.000 0.894 422 G HN 1.649 nan 8.290 nan 0.000 0.562 423 G N -3.373 105.411 108.800 -0.027 0.000 2.137 423 G HA2 0.036 3.996 3.960 -0.001 0.000 0.237 423 G HA3 0.036 3.996 3.960 -0.001 0.000 0.237 423 G C 0.928 175.811 174.900 -0.029 0.000 1.002 423 G CA 1.222 46.308 45.100 -0.023 0.000 0.702 423 G HN 1.849 nan 8.290 nan 0.000 0.515 424 V N 0.203 120.097 119.914 -0.034 0.000 2.854 424 V HA 0.342 4.462 4.120 -0.001 0.000 0.236 424 V C 1.599 177.684 176.094 -0.015 0.000 1.157 424 V CA 0.545 62.822 62.300 -0.037 0.000 1.187 424 V CB 0.016 31.788 31.823 -0.084 0.000 0.949 424 V HN 0.343 nan 8.190 nan 0.000 0.488 425 I N 2.114 122.684 120.570 -0.001 0.000 2.452 425 I HA 0.356 4.525 4.170 -0.001 0.000 0.287 425 I C 0.609 176.731 176.117 0.009 0.000 1.079 425 I CA 0.200 61.492 61.300 -0.014 0.000 1.387 425 I CB 0.580 38.594 38.000 0.024 0.000 1.404 425 I HN 0.226 nan 8.210 nan 0.000 0.522 426 A N 5.703 128.519 122.820 -0.006 0.000 2.304 426 A HA 0.439 4.759 4.320 -0.001 0.000 0.271 426 A C 0.636 178.266 177.584 0.077 0.000 1.091 426 A CA -0.400 51.654 52.037 0.028 0.000 0.812 426 A CB 0.257 19.267 19.000 0.017 0.000 1.056 426 A HN 0.758 nan 8.150 nan 0.000 0.489 427 S N -0.201 115.540 115.700 0.068 0.000 2.558 427 S HA 0.386 4.856 4.470 -0.001 0.000 0.287 427 S C 1.418 176.077 174.600 0.099 0.000 1.321 427 S CA 0.581 58.828 58.200 0.077 0.000 1.048 427 S CB 0.417 63.649 63.200 0.053 0.000 0.844 427 S HN 2.277 nan 8.310 nan 0.000 0.512 428 G N 0.827 109.684 108.800 0.096 0.000 2.184 428 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.264 428 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.264 428 G C 0.445 175.409 174.900 0.106 0.000 0.975 428 G CA 0.637 45.786 45.100 0.081 0.000 0.642 428 G HN 0.824 nan 8.290 nan 0.000 0.536 429 Y N 1.328 121.644 120.300 0.027 0.000 2.395 429 Y HA 0.265 4.815 4.550 -0.001 0.000 0.293 429 Y C 1.077 176.996 175.900 0.032 0.000 1.123 429 Y CA 1.427 59.544 58.100 0.028 0.000 1.227 429 Y CB 0.465 38.944 38.460 0.031 0.000 1.012 429 Y HN 0.358 nan 8.280 nan 0.000 0.552 430 N N 0.163 118.928 118.700 0.108 0.000 2.519 430 N HA 0.024 4.764 4.740 -0.001 0.000 0.291 430 N C 0.206 175.755 175.510 0.065 0.000 1.107 430 N CA 0.223 53.303 53.050 0.049 0.000 0.904 430 N CB 1.254 39.826 38.487 0.141 0.000 1.500 430 N HN 0.450 nan 8.380 nan 0.000 0.510 431 E N 2.099 122.314 120.200 0.024 0.000 2.110 431 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 431 E C 1.055 177.674 176.600 0.031 0.000 0.988 431 E CA 1.075 57.486 56.400 0.019 0.000 0.804 431 E CB 0.051 29.746 29.700 -0.008 0.000 0.745 431 E HN 0.649 nan 8.360 nan 0.000 0.458 432 E N 0.495 120.731 120.200 0.058 0.000 2.077 432 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 432 E C 2.170 178.901 176.600 0.218 0.000 0.989 432 E CA 0.964 57.423 56.400 0.097 0.000 0.800 432 E CB -0.065 29.728 29.700 0.156 0.000 0.746 432 E HN 0.316 nan 8.360 nan 0.000 0.452 433 L N 1.705 123.059 121.223 0.219 0.000 2.079 433 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 433 L C 1.489 178.472 176.870 0.189 0.000 1.081 433 L CA 1.996 56.976 54.840 0.234 0.000 0.752 433 L CB -0.365 41.801 42.059 0.177 0.000 0.896 433 L HN 0.058 nan 8.230 nan 0.000 0.433 434 D N -0.696 119.775 120.400 0.119 0.000 2.149 434 D HA -0.193 4.446 4.640 -0.001 0.000 0.201 434 D C 1.982 178.303 176.300 0.035 0.000 0.972 434 D CA 1.177 55.221 54.000 0.074 0.000 0.835 434 D CB -0.083 40.746 40.800 0.049 0.000 0.966 434 D HN 0.594 nan 8.370 nan 0.000 0.476 435 E N -0.027 120.159 120.200 -0.023 0.000 2.058 435 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 435 E C 1.828 178.319 176.600 -0.182 0.000 0.997 435 E CA 1.044 57.345 56.400 -0.165 0.000 0.801 435 E CB -0.127 29.385 29.700 -0.314 0.000 0.746 435 E HN 0.373 nan 8.360 nan 0.000 0.450 436 W N 0.366 121.671 121.300 0.009 0.000 2.467 436 W HA 0.041 4.700 4.660 -0.001 0.000 0.275 436 W C 2.603 179.127 176.519 0.008 0.000 1.239 436 W CA 0.247 57.596 57.345 0.007 0.000 1.266 436 W CB 0.089 29.555 29.460 0.010 0.000 1.112 436 W HN 0.015 nan 8.180 nan 0.000 0.576 437 R N 0.009 120.642 120.500 0.222 0.000 2.153 437 R HA -0.019 4.321 4.340 -0.001 0.000 0.218 437 R C 2.305 178.656 176.300 0.085 0.000 1.072 437 R CA 1.039 57.220 56.100 0.135 0.000 0.990 437 R CB -0.519 29.842 30.300 0.103 0.000 0.889 437 R HN 0.124 nan 8.270 nan 0.000 0.452 438 A N 1.455 124.308 122.820 0.054 0.000 1.845 438 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 438 A C 2.030 179.632 177.584 0.030 0.000 1.195 438 A CA 1.032 53.082 52.037 0.021 0.000 0.616 438 A CB -0.564 18.425 19.000 -0.019 0.000 0.832 438 A HN 0.111 nan 8.150 nan 0.000 0.443 439 L N -0.606 120.634 121.223 0.029 0.000 2.013 439 L HA -0.267 4.072 4.340 -0.001 0.000 0.212 439 L C 3.078 180.001 176.870 0.088 0.000 1.073 439 L CA 2.234 57.103 54.840 0.049 0.000 0.753 439 L CB -1.693 40.406 42.059 0.066 0.000 0.890 439 L HN 0.503 nan 8.230 nan 0.000 0.432 440 A N -0.301 122.587 122.820 0.114 0.000 1.865 440 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 440 A C 2.007 179.633 177.584 0.070 0.000 1.191 440 A CA 1.980 54.074 52.037 0.094 0.000 0.623 440 A CB -0.614 18.441 19.000 0.093 0.000 0.826 440 A HN 0.420 nan 8.150 nan 0.000 0.444 441 D N -0.687 119.749 120.400 0.060 0.000 2.178 441 D HA -0.082 4.557 4.640 -0.001 0.000 0.202 441 D C 1.976 178.307 176.300 0.051 0.000 0.974 441 D CA 1.405 55.433 54.000 0.047 0.000 0.841 441 D CB -0.439 40.384 40.800 0.038 0.000 0.953 441 D HN 0.486 nan 8.370 nan 0.000 0.478 442 G N 0.412 109.244 108.800 0.054 0.000 2.572 442 G HA2 0.006 3.966 3.960 -0.001 0.000 0.216 442 G HA3 0.006 3.966 3.960 -0.001 0.000 0.216 442 G C 1.554 176.509 174.900 0.091 0.000 1.133 442 G CA 0.751 45.885 45.100 0.058 0.000 0.791 442 G HN 0.336 nan 8.290 nan 0.000 0.538 443 A N 0.246 123.130 122.820 0.108 0.000 1.997 443 A HA 0.180 4.499 4.320 -0.001 0.000 0.212 443 A C 2.464 180.126 177.584 0.131 0.000 1.178 443 A CA 1.882 54.019 52.037 0.167 0.000 0.698 443 A CB -0.345 18.758 19.000 0.172 0.000 0.842 443 A HN 0.228 nan 8.150 nan 0.000 0.458 444 T N 1.425 116.026 114.554 0.079 0.000 2.732 444 T HA -0.143 4.206 4.350 -0.001 0.000 0.261 444 T C 1.669 176.389 174.700 0.033 0.000 1.040 444 T CA 1.456 63.588 62.100 0.053 0.000 1.145 444 T CB -0.473 68.424 68.868 0.048 0.000 0.866 444 T HN 0.754 nan 8.240 nan 0.000 0.427 445 D N 0.815 121.238 120.400 0.039 0.000 2.178 445 D HA -0.165 4.474 4.640 -0.001 0.000 0.202 445 D C 1.989 178.283 176.300 -0.010 0.000 0.974 445 D CA 0.938 54.946 54.000 0.013 0.000 0.841 445 D CB -0.925 39.888 40.800 0.021 0.000 0.953 445 D HN 0.500 nan 8.370 nan 0.000 0.478 446 Y N 1.332 121.568 120.300 -0.106 0.000 2.165 446 Y HA -0.124 4.426 4.550 -0.001 0.000 0.286 446 Y C 2.150 177.915 175.900 -0.226 0.000 1.155 446 Y CA 1.445 59.430 58.100 -0.191 0.000 1.164 446 Y CB -0.435 37.848 38.460 -0.296 0.000 0.978 446 Y HN -0.061 nan 8.280 nan 0.000 0.513 447 L N 0.238 121.272 121.223 -0.315 0.000 2.131 447 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 447 L C 2.528 179.234 176.870 -0.273 0.000 1.092 447 L CA 1.853 56.474 54.840 -0.365 0.000 0.759 447 L CB -0.451 41.508 42.059 -0.167 0.000 0.903 447 L HN 0.307 nan 8.230 nan 0.000 0.435 448 E N -0.177 119.918 120.200 -0.175 0.000 2.216 448 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 448 E C 2.325 178.834 176.600 -0.151 0.000 0.988 448 E CA 0.357 56.686 56.400 -0.118 0.000 0.834 448 E CB 0.225 29.890 29.700 -0.059 0.000 0.772 448 E HN 0.337 nan 8.360 nan 0.000 0.479 449 R N 0.203 120.577 120.500 -0.210 0.000 2.081 449 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 449 R C 2.545 178.687 176.300 -0.264 0.000 1.131 449 R CA 1.098 57.072 56.100 -0.211 0.000 0.960 449 R CB -0.474 29.698 30.300 -0.213 0.000 0.856 449 R HN 0.215 nan 8.270 nan 0.000 0.436 450 L N 1.688 122.651 121.223 -0.434 0.000 2.079 450 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 450 L C 2.368 179.126 176.870 -0.185 0.000 1.081 450 L CA 1.777 56.398 54.840 -0.365 0.000 0.752 450 L CB -0.359 41.407 42.059 -0.489 0.000 0.896 450 L HN 0.194 nan 8.230 nan 0.000 0.433 451 E N -0.848 119.261 120.200 -0.152 0.000 2.038 451 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 451 E C 2.146 178.714 176.600 -0.053 0.000 1.000 451 E CA 2.060 58.414 56.400 -0.075 0.000 0.803 451 E CB -0.140 29.526 29.700 -0.056 0.000 0.750 451 E HN 0.414 nan 8.360 nan 0.000 0.448 452 V N 1.133 121.008 119.914 -0.066 0.000 2.307 452 V HA -0.256 3.863 4.120 -0.001 0.000 0.245 452 V C 2.683 178.750 176.094 -0.045 0.000 1.045 452 V CA 2.149 64.421 62.300 -0.047 0.000 1.024 452 V CB -0.569 31.225 31.823 -0.048 0.000 0.651 452 V HN 0.319 nan 8.190 nan 0.000 0.449 453 R N -0.014 120.446 120.500 -0.067 0.000 2.113 453 R HA -0.233 4.106 4.340 -0.001 0.000 0.244 453 R C 2.157 178.442 176.300 -0.025 0.000 1.142 453 R CA 2.191 58.259 56.100 -0.054 0.000 0.953 453 R CB -0.219 30.031 30.300 -0.083 0.000 0.860 453 R HN 0.478 nan 8.270 nan 0.000 0.438 454 E N -0.001 120.190 120.200 -0.014 0.000 2.158 454 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 454 E C 1.966 178.583 176.600 0.028 0.000 0.982 454 E CA 0.779 57.201 56.400 0.037 0.000 0.823 454 E CB -0.206 29.549 29.700 0.092 0.000 0.766 454 E HN 0.400 nan 8.360 nan 0.000 0.468 455 R N 1.293 121.800 120.500 0.012 0.000 2.096 455 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 455 R C 1.970 178.264 176.300 -0.009 0.000 1.127 455 R CA 1.341 57.444 56.100 0.005 0.000 0.968 455 R CB 0.115 30.417 30.300 0.002 0.000 0.861 455 R HN 0.128 nan 8.270 nan 0.000 0.440 456 E N 0.091 120.283 120.200 -0.013 0.000 2.006 456 E HA -0.206 4.144 4.350 -0.001 0.000 0.192 456 E C 2.073 178.659 176.600 -0.024 0.000 0.993 456 E CA 0.906 57.296 56.400 -0.018 0.000 0.808 456 E CB -0.186 29.504 29.700 -0.017 0.000 0.764 456 E HN 0.261 nan 8.360 nan 0.000 0.449 457 R N 0.254 120.741 120.500 -0.022 0.000 2.185 457 R HA -0.176 4.163 4.340 -0.001 0.000 0.247 457 R C 2.271 178.536 176.300 -0.059 0.000 1.159 457 R CA 1.923 58.004 56.100 -0.031 0.000 0.988 457 R CB -0.114 30.175 30.300 -0.019 0.000 0.871 457 R HN 0.317 nan 8.270 nan 0.000 0.458 458 T N -5.968 108.548 114.554 -0.063 0.000 3.018 458 T HA 0.234 4.584 4.350 -0.001 0.000 0.246 458 T C 1.483 176.142 174.700 -0.070 0.000 1.026 458 T CA 0.753 62.795 62.100 -0.097 0.000 1.081 458 T CB 0.738 69.531 68.868 -0.124 0.000 0.970 458 T HN 0.336 nan 8.240 nan 0.000 0.475 459 G N 1.949 110.722 108.800 -0.044 0.000 2.320 459 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.242 459 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.242 459 G C 0.152 175.035 174.900 -0.029 0.000 1.033 459 G CA 0.141 45.222 45.100 -0.032 0.000 0.620 459 G HN 0.693 nan 8.290 nan 0.000 0.517 460 L N 2.362 123.560 121.223 -0.042 0.000 2.737 460 L HA 0.153 4.492 4.340 -0.001 0.000 0.275 460 L C 1.750 178.613 176.870 -0.011 0.000 1.179 460 L CA 0.778 55.597 54.840 -0.035 0.000 0.970 460 L CB 0.276 42.304 42.059 -0.052 0.000 1.268 460 L HN 0.585 nan 8.230 nan 0.000 0.485 461 D N -0.344 120.052 120.400 -0.005 0.000 2.149 461 D HA -0.176 4.464 4.640 -0.001 0.000 0.201 461 D C 1.740 178.047 176.300 0.012 0.000 0.972 461 D CA 1.242 55.244 54.000 0.003 0.000 0.835 461 D CB -0.128 40.674 40.800 0.003 0.000 0.966 461 D HN 0.664 nan 8.370 nan 0.000 0.476 462 T N -1.325 113.239 114.554 0.016 0.000 3.113 462 T HA -0.029 4.320 4.350 -0.001 0.000 0.263 462 T C 0.908 175.635 174.700 0.045 0.000 1.143 462 T CA -0.378 61.739 62.100 0.028 0.000 1.090 462 T CB -0.765 68.121 68.868 0.029 0.000 0.922 462 T HN 0.230 nan 8.240 nan 0.000 0.521 463 L N 1.773 123.024 121.223 0.046 0.000 2.601 463 L HA 0.179 4.519 4.340 -0.001 0.000 0.277 463 L C -0.023 176.887 176.870 0.066 0.000 1.219 463 L CA 0.371 55.254 54.840 0.071 0.000 0.915 463 L CB 0.225 42.324 42.059 0.068 0.000 1.160 463 L HN 0.150 nan 8.230 nan 0.000 0.494 464 K N 3.812 124.267 120.400 0.091 0.000 2.352 464 K HA 0.655 4.974 4.320 -0.001 0.000 0.240 464 K C -1.418 175.221 176.600 0.065 0.000 1.017 464 K CA -0.992 55.339 56.287 0.074 0.000 0.851 464 K CB 2.464 35.021 32.500 0.095 0.000 1.261 464 K HN 0.337 nan 8.250 nan 0.000 0.451 465 V N 0.891 120.810 119.914 0.008 0.000 2.495 465 V HA 0.636 4.756 4.120 -0.001 0.000 0.298 465 V C 0.040 176.041 176.094 -0.155 0.000 1.031 465 V CA -0.503 61.761 62.300 -0.059 0.000 0.871 465 V CB 1.540 33.345 31.823 -0.031 0.000 0.988 465 V HN 0.981 nan 8.190 nan 0.000 0.432 466 G N 2.812 111.300 108.800 -0.520 0.000 2.694 466 G HA2 0.746 4.705 3.960 -0.001 0.000 0.290 466 G HA3 0.746 4.705 3.960 -0.001 0.000 0.290 466 G C -2.100 172.208 174.900 -0.988 0.000 1.386 466 G CA -0.579 44.126 45.100 -0.658 0.000 0.872 466 G HN 0.514 nan 8.290 nan 0.000 0.475 467 F N 1.407 120.980 119.950 -0.630 0.000 2.557 467 F HA 0.614 5.141 4.527 -0.001 0.000 0.316 467 F C -0.730 175.009 175.800 -0.102 0.000 1.141 467 F CA -1.058 56.626 58.000 -0.527 0.000 0.922 467 F CB 2.025 40.561 39.000 -0.774 0.000 1.194 467 F HN 0.523 nan 8.300 nan 0.000 0.443 468 N N 4.620 122.842 118.700 -0.798 0.000 2.269 468 N HA 0.468 5.207 4.740 -0.001 0.000 0.304 468 N C 0.144 175.089 175.510 -0.942 0.000 1.072 468 N CA 0.019 52.738 53.050 -0.551 0.000 0.802 468 N CB 2.323 40.737 38.487 -0.121 0.000 1.348 468 N HN 0.810 nan 8.380 nan 0.000 0.484 469 A N 2.845 125.342 122.820 -0.537 0.000 1.940 469 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 469 A C 1.849 179.319 177.584 -0.189 0.000 1.176 469 A CA 1.625 53.473 52.037 -0.315 0.000 0.631 469 A CB -0.563 18.392 19.000 -0.075 0.000 0.814 469 A HN 0.484 nan 8.150 nan 0.000 0.446 470 V N -0.643 119.194 119.914 -0.128 0.000 2.232 470 V HA -0.224 3.895 4.120 -0.001 0.000 0.239 470 V C 2.358 178.375 176.094 -0.130 0.000 1.040 470 V CA 2.371 64.606 62.300 -0.108 0.000 0.996 470 V CB -1.252 30.512 31.823 -0.098 0.000 0.638 470 V HN 0.694 nan 8.190 nan 0.000 0.453 471 H N 0.009 119.010 119.070 -0.116 0.000 2.333 471 H HA 0.363 4.918 4.556 -0.001 0.000 0.302 471 H C 1.343 176.654 175.328 -0.028 0.000 1.075 471 H CA 1.270 57.285 56.048 -0.055 0.000 1.348 471 H CB -0.445 29.288 29.762 -0.049 0.000 1.393 471 H HN 0.653 nan 8.280 nan 0.000 0.509 472 G N -1.156 107.636 108.800 -0.014 0.000 2.460 472 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.207 472 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.207 472 G C -1.118 173.810 174.900 0.047 0.000 1.170 472 G CA -0.454 44.608 45.100 -0.064 0.000 1.151 472 G HN 0.201 nan 8.290 nan 0.000 0.575 473 Y N 1.745 122.215 120.300 0.284 0.000 2.442 473 Y HA 0.546 5.096 4.550 -0.001 0.000 0.330 473 Y C 0.831 176.795 175.900 0.107 0.000 1.129 473 Y CA 1.147 59.338 58.100 0.152 0.000 1.365 473 Y CB 0.490 39.040 38.460 0.150 0.000 1.233 473 Y HN 0.706 nan 8.280 nan 0.000 0.529 474 Y N 0.107 120.518 120.300 0.185 0.000 2.615 474 Y HA 0.779 5.328 4.550 -0.001 0.000 0.341 474 Y C -1.542 174.402 175.900 0.073 0.000 1.089 474 Y CA -1.894 56.256 58.100 0.084 0.000 1.049 474 Y CB 1.165 39.624 38.460 -0.002 0.000 1.296 474 Y HN 0.299 nan 8.280 nan 0.000 0.470 475 I N 2.694 123.445 120.570 0.302 0.000 2.354 475 I HA 0.247 4.416 4.170 -0.001 0.000 0.286 475 I C -0.636 175.703 176.117 0.370 0.000 1.007 475 I CA -0.567 60.861 61.300 0.214 0.000 1.167 475 I CB 1.654 39.640 38.000 -0.023 0.000 1.320 475 I HN 0.639 nan 8.210 nan 0.000 0.458 476 Q N 6.894 126.919 119.800 0.376 0.000 2.256 476 Q HA 0.591 4.930 4.340 -0.001 0.000 0.254 476 Q C -1.206 174.926 176.000 0.220 0.000 0.916 476 Q CA -0.398 55.575 55.803 0.285 0.000 0.932 476 Q CB 1.362 30.264 28.738 0.274 0.000 1.207 476 Q HN 0.590 nan 8.270 nan 0.000 0.426 477 I N 2.823 123.530 120.570 0.228 0.000 2.466 477 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 477 I C 0.084 176.269 176.117 0.114 0.000 1.026 477 I CA -0.809 60.594 61.300 0.172 0.000 1.078 477 I CB 2.057 40.187 38.000 0.216 0.000 1.249 477 I HN 0.678 nan 8.210 nan 0.000 0.429 478 S N 5.628 121.369 115.700 0.068 0.000 2.563 478 S HA 0.057 4.526 4.470 -0.001 0.000 0.284 478 S C 1.240 175.871 174.600 0.051 0.000 1.331 478 S CA -0.084 58.143 58.200 0.046 0.000 1.047 478 S CB 0.929 64.149 63.200 0.034 0.000 0.859 478 S HN 0.804 nan 8.310 nan 0.000 0.514 479 R N 2.280 122.806 120.500 0.044 0.000 2.127 479 R HA -0.074 4.265 4.340 -0.001 0.000 0.238 479 R C 2.342 178.694 176.300 0.088 0.000 1.134 479 R CA 1.564 57.700 56.100 0.060 0.000 0.975 479 R CB -1.254 29.069 30.300 0.040 0.000 0.865 479 R HN 0.924 nan 8.270 nan 0.000 0.447 480 G N -0.324 108.520 108.800 0.073 0.000 2.516 480 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.221 480 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.221 480 G C 0.985 175.956 174.900 0.119 0.000 1.107 480 G CA 0.739 45.898 45.100 0.099 0.000 0.747 480 G HN 0.472 nan 8.290 nan 0.000 0.567 481 Q N -0.401 119.399 119.800 -0.001 0.000 2.140 481 Q HA 0.080 4.419 4.340 -0.001 0.000 0.227 481 Q C 2.384 178.154 176.000 -0.382 0.000 0.798 481 Q CA 0.425 56.087 55.803 -0.236 0.000 0.987 481 Q CB 0.751 29.411 28.738 -0.129 0.000 1.161 481 Q HN 0.508 nan 8.270 nan 0.000 0.480 482 S N 1.207 116.848 115.700 -0.099 0.000 2.400 482 S HA -0.258 4.212 4.470 -0.001 0.000 0.232 482 S C 1.909 176.510 174.600 0.001 0.000 1.025 482 S CA 1.568 59.797 58.200 0.047 0.000 0.993 482 S CB -0.790 62.517 63.200 0.178 0.000 0.808 482 S HN 0.589 nan 8.310 nan 0.000 0.478 483 H N 1.324 120.434 119.070 0.067 0.000 2.387 483 H HA 0.078 4.633 4.556 -0.001 0.000 0.299 483 H C 1.890 177.215 175.328 -0.005 0.000 1.099 483 H CA 1.249 57.320 56.048 0.037 0.000 1.315 483 H CB -0.742 29.034 29.762 0.024 0.000 1.380 483 H HN 0.414 nan 8.280 nan 0.000 0.513 484 L N 1.421 122.328 121.223 -0.526 0.000 2.610 484 L HA 0.170 4.510 4.340 -0.001 0.000 0.232 484 L C 1.198 177.915 176.870 -0.254 0.000 1.149 484 L CA 0.066 54.739 54.840 -0.277 0.000 0.872 484 L CB -0.224 41.639 42.059 -0.327 0.000 0.992 484 L HN 0.287 nan 8.230 nan 0.000 0.447 485 A N 0.230 122.885 122.820 -0.276 0.000 2.462 485 A HA 0.370 4.689 4.320 -0.001 0.000 0.243 485 A C -2.009 175.307 177.584 -0.447 0.000 1.076 485 A CA -1.098 50.674 52.037 -0.441 0.000 0.773 485 A CB -0.372 18.297 19.000 -0.551 0.000 1.010 485 A HN -0.002 nan 8.150 nan 0.000 0.493 486 P HA 0.058 nan 4.420 nan 0.000 0.270 486 P C 0.485 177.622 177.300 -0.271 0.000 1.221 486 P CA -0.078 62.728 63.100 -0.490 0.000 0.788 486 P CB 0.212 31.495 31.700 -0.695 0.000 0.904 487 I N 0.095 120.591 120.570 -0.124 0.000 2.617 487 I HA -0.108 4.061 4.170 -0.001 0.000 0.256 487 I C 1.949 178.090 176.117 0.039 0.000 1.167 487 I CA 1.104 62.392 61.300 -0.021 0.000 1.469 487 I CB -1.296 36.700 38.000 -0.005 0.000 1.098 487 I HN 0.295 nan 8.210 nan 0.000 0.436 488 N N 0.839 119.561 118.700 0.037 0.000 2.192 488 N HA -0.247 4.492 4.740 -0.001 0.000 0.188 488 N C 0.224 175.907 175.510 0.289 0.000 1.013 488 N CA 1.133 54.270 53.050 0.145 0.000 0.863 488 N CB -0.264 38.317 38.487 0.156 0.000 0.990 488 N HN 0.258 nan 8.380 nan 0.000 0.430 489 Y N 0.776 121.064 120.300 -0.020 0.000 2.436 489 Y HA 0.259 4.808 4.550 -0.001 0.000 0.343 489 Y C 0.069 176.067 175.900 0.164 0.000 1.008 489 Y CA -0.522 57.580 58.100 0.004 0.000 1.241 489 Y CB 0.146 38.431 38.460 -0.293 0.000 1.153 489 Y HN 0.004 nan 8.280 nan 0.000 0.521 490 M N 4.611 124.389 119.600 0.297 0.000 2.069 490 M HA 0.281 4.760 4.480 -0.001 0.000 0.349 490 M C 0.383 176.841 176.300 0.264 0.000 1.194 490 M CA -0.127 55.322 55.300 0.247 0.000 1.081 490 M CB 0.553 33.242 32.600 0.148 0.000 1.500 490 M HN 0.454 nan 8.290 nan 0.000 0.438 491 R N 2.575 123.229 120.500 0.257 0.000 2.502 491 R HA 0.035 4.374 4.340 -0.001 0.000 0.292 491 R C 0.744 177.005 176.300 -0.066 0.000 0.998 491 R CA 0.716 56.766 56.100 -0.083 0.000 1.056 491 R CB 0.510 30.711 30.300 -0.165 0.000 0.939 491 R HN 0.757 nan 8.270 nan 0.000 0.411 492 R N 2.154 122.581 120.500 -0.122 0.000 2.350 492 R HA 0.100 4.439 4.340 -0.001 0.000 0.199 492 R C -0.136 176.118 176.300 -0.077 0.000 0.876 492 R CA 0.232 56.316 56.100 -0.027 0.000 1.062 492 R CB 0.721 31.053 30.300 0.053 0.000 1.263 492 R HN 0.705 nan 8.270 nan 0.000 0.641 493 Q N 0.458 120.106 119.800 -0.253 0.000 2.359 493 Q HA 0.315 4.654 4.340 -0.001 0.000 0.274 493 Q C -1.689 174.100 176.000 -0.351 0.000 1.074 493 Q CA -0.462 55.116 55.803 -0.375 0.000 0.810 493 Q CB 2.862 31.138 28.738 -0.770 0.000 1.342 493 Q HN -0.037 nan 8.270 nan 0.000 0.427 494 T N 2.818 117.211 114.554 -0.267 0.000 2.887 494 T HA 0.676 5.025 4.350 -0.001 0.000 0.288 494 T C -1.032 173.556 174.700 -0.187 0.000 1.021 494 T CA -0.354 61.617 62.100 -0.214 0.000 1.000 494 T CB 0.926 69.707 68.868 -0.144 0.000 1.034 494 T HN 0.424 nan 8.240 nan 0.000 0.467 495 L N 1.191 122.319 121.223 -0.158 0.000 2.194 495 L HA 0.613 4.952 4.340 -0.001 0.000 0.248 495 L C 1.667 178.489 176.870 -0.080 0.000 1.071 495 L CA -0.904 53.862 54.840 -0.123 0.000 0.901 495 L CB 0.673 42.648 42.059 -0.140 0.000 1.497 495 L HN 0.453 nan 8.230 nan 0.000 0.442 496 K N 0.062 120.426 120.400 -0.059 0.000 2.002 496 K HA 0.013 4.332 4.320 -0.001 0.000 0.209 496 K C 0.408 176.991 176.600 -0.027 0.000 1.048 496 K CA 1.577 57.841 56.287 -0.037 0.000 0.930 496 K CB 0.080 32.562 32.500 -0.029 0.000 0.714 496 K HN 0.566 nan 8.250 nan 0.000 0.438 497 N N -0.205 118.479 118.700 -0.027 0.000 2.328 497 N HA 0.165 4.904 4.740 -0.001 0.000 0.247 497 N C -0.885 174.618 175.510 -0.012 0.000 1.165 497 N CA 0.060 53.103 53.050 -0.012 0.000 0.873 497 N CB 1.605 40.089 38.487 -0.005 0.000 1.125 497 N HN 0.112 nan 8.380 nan 0.000 0.513 498 A N 0.390 123.191 122.820 -0.033 0.000 2.588 498 A HA 0.712 5.031 4.320 -0.001 0.000 0.290 498 A C -1.490 176.051 177.584 -0.072 0.000 1.136 498 A CA -0.463 51.551 52.037 -0.038 0.000 0.681 498 A CB 2.047 21.009 19.000 -0.063 0.000 1.282 498 A HN 0.071 nan 8.150 nan 0.000 0.421 499 E N -0.134 120.023 120.200 -0.073 0.000 2.307 499 E HA 0.498 4.848 4.350 -0.001 0.000 0.280 499 E C -1.202 175.233 176.600 -0.275 0.000 0.900 499 E CA -0.206 56.072 56.400 -0.202 0.000 0.790 499 E CB 1.465 31.075 29.700 -0.150 0.000 1.261 499 E HN 0.572 nan 8.360 nan 0.000 0.405 500 R N 2.761 123.005 120.500 -0.426 0.000 2.460 500 R HA 0.576 4.915 4.340 -0.001 0.000 0.303 500 R C -0.907 175.185 176.300 -0.346 0.000 0.968 500 R CA -0.608 55.327 56.100 -0.275 0.000 0.889 500 R CB 1.265 31.286 30.300 -0.465 0.000 1.123 500 R HN 0.444 nan 8.270 nan 0.000 0.455 501 Y N 1.125 121.435 120.300 0.018 0.000 2.602 501 Y HA 0.553 5.102 4.550 -0.001 0.000 0.342 501 Y C -0.329 175.549 175.900 -0.037 0.000 1.029 501 Y CA -1.275 56.815 58.100 -0.016 0.000 1.080 501 Y CB 1.520 39.948 38.460 -0.054 0.000 1.284 501 Y HN 0.354 nan 8.280 nan 0.000 0.485 502 I N 2.637 123.285 120.570 0.130 0.000 2.740 502 I HA 0.607 4.776 4.170 -0.001 0.000 0.303 502 I C -0.998 175.121 176.117 0.004 0.000 1.044 502 I CA -1.279 60.062 61.300 0.068 0.000 1.064 502 I CB 1.673 39.737 38.000 0.106 0.000 1.249 502 I HN 0.552 nan 8.210 nan 0.000 0.433 503 I N 3.224 123.784 120.570 -0.016 0.000 2.828 503 I HA 0.608 4.777 4.170 -0.001 0.000 0.302 503 I C -2.375 173.777 176.117 0.059 0.000 1.101 503 I CA -2.156 59.155 61.300 0.018 0.000 1.031 503 I CB 2.286 40.279 38.000 -0.011 0.000 1.231 503 I HN 0.310 nan 8.210 nan 0.000 0.427 504 P HA -0.021 nan 4.420 nan 0.000 0.234 504 P C 0.887 178.242 177.300 0.090 0.000 1.167 504 P CA 0.878 64.022 63.100 0.074 0.000 0.763 504 P CB 0.207 31.947 31.700 0.066 0.000 0.835 505 E N -0.321 119.946 120.200 0.112 0.000 2.060 505 E HA -0.049 4.300 4.350 -0.001 0.000 0.189 505 E C 1.850 178.584 176.600 0.224 0.000 0.974 505 E CA 0.378 56.887 56.400 0.182 0.000 0.808 505 E CB -0.382 29.424 29.700 0.177 0.000 0.768 505 E HN 0.154 nan 8.360 nan 0.000 0.453 506 L N 1.168 122.470 121.223 0.131 0.000 2.012 506 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 506 L C 2.695 179.628 176.870 0.106 0.000 1.073 506 L CA 1.288 56.187 54.840 0.098 0.000 0.748 506 L CB -0.207 41.881 42.059 0.049 0.000 0.891 506 L HN 0.066 nan 8.230 nan 0.000 0.431 507 K N -0.022 120.440 120.400 0.104 0.000 2.211 507 K HA -0.224 4.095 4.320 -0.001 0.000 0.203 507 K C 1.861 178.501 176.600 0.066 0.000 1.050 507 K CA 1.174 57.520 56.287 0.097 0.000 0.945 507 K CB 0.014 32.569 32.500 0.091 0.000 0.732 507 K HN 0.424 nan 8.250 nan 0.000 0.451 508 E N -0.765 119.473 120.200 0.063 0.000 2.072 508 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 508 E C 1.306 177.845 176.600 -0.102 0.000 0.985 508 E CA 1.162 57.548 56.400 -0.024 0.000 0.801 508 E CB 0.015 29.693 29.700 -0.038 0.000 0.750 508 E HN 0.314 nan 8.360 nan 0.000 0.452 509 Y N 0.540 120.821 120.300 -0.031 0.000 2.490 509 Y HA 0.016 4.566 4.550 -0.001 0.000 0.285 509 Y C 2.241 178.043 175.900 -0.164 0.000 1.117 509 Y CA 0.934 58.991 58.100 -0.072 0.000 1.262 509 Y CB 0.199 38.674 38.460 0.025 0.000 1.043 509 Y HN 0.153 nan 8.280 nan 0.000 0.553 510 E N 0.565 120.727 120.200 -0.063 0.000 2.038 510 E HA -0.253 4.097 4.350 -0.001 0.000 0.195 510 E C 1.271 177.888 176.600 0.028 0.000 1.000 510 E CA 1.727 58.068 56.400 -0.100 0.000 0.803 510 E CB -0.114 29.664 29.700 0.131 0.000 0.750 510 E HN 0.313 nan 8.360 nan 0.000 0.448 511 D N 0.016 120.433 120.400 0.028 0.000 2.309 511 D HA -0.116 4.523 4.640 -0.001 0.000 0.212 511 D C 1.698 177.995 176.300 -0.005 0.000 0.968 511 D CA 0.827 54.840 54.000 0.021 0.000 0.882 511 D CB 0.068 40.872 40.800 0.006 0.000 0.918 511 D HN 0.187 nan 8.370 nan 0.000 0.503 512 K N -0.016 120.361 120.400 -0.039 0.000 2.168 512 K HA 0.001 4.320 4.320 -0.001 0.000 0.201 512 K C 1.918 178.537 176.600 0.032 0.000 1.049 512 K CA 0.152 56.420 56.287 -0.031 0.000 0.974 512 K CB 0.060 32.475 32.500 -0.142 0.000 0.792 512 K HN -0.146 nan 8.250 nan 0.000 0.463 513 V N 1.350 121.281 119.914 0.030 0.000 2.287 513 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 513 V C 1.931 178.053 176.094 0.046 0.000 1.053 513 V CA 1.680 64.007 62.300 0.045 0.000 1.027 513 V CB -0.197 31.632 31.823 0.009 0.000 0.646 513 V HN 0.340 nan 8.190 nan 0.000 0.447 514 L N 0.284 121.537 121.223 0.050 0.000 1.976 514 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 514 L C 2.855 179.733 176.870 0.013 0.000 1.071 514 L CA 2.457 57.323 54.840 0.044 0.000 0.746 514 L CB -0.914 41.196 42.059 0.084 0.000 0.890 514 L HN 0.609 nan 8.230 nan 0.000 0.432 515 T N -3.298 111.265 114.554 0.014 0.000 2.803 515 T HA -0.183 4.167 4.350 -0.001 0.000 0.269 515 T C 1.892 176.550 174.700 -0.070 0.000 1.052 515 T CA 1.437 63.522 62.100 -0.024 0.000 1.136 515 T CB -0.578 68.291 68.868 0.002 0.000 0.864 515 T HN 0.480 nan 8.240 nan 0.000 0.467 516 S N 1.208 116.932 115.700 0.040 0.000 2.406 516 S HA 0.125 4.594 4.470 -0.001 0.000 0.224 516 S C 2.060 176.678 174.600 0.030 0.000 1.030 516 S CA 0.107 58.387 58.200 0.133 0.000 0.958 516 S CB -0.317 63.099 63.200 0.360 0.000 0.811 516 S HN 0.403 nan 8.310 nan 0.000 0.489 517 K N 1.284 121.694 120.400 0.017 0.000 2.063 517 K HA -0.053 4.267 4.320 -0.001 0.000 0.208 517 K C 2.302 178.863 176.600 -0.066 0.000 1.048 517 K CA 1.430 57.711 56.287 -0.009 0.000 0.928 517 K CB -0.802 31.692 32.500 -0.011 0.000 0.713 517 K HN 0.551 nan 8.250 nan 0.000 0.442 518 G N 1.320 110.061 108.800 -0.099 0.000 2.421 518 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 518 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 518 G C 1.442 176.213 174.900 -0.216 0.000 1.143 518 G CA 0.314 45.340 45.100 -0.124 0.000 0.784 518 G HN 0.146 nan 8.290 nan 0.000 0.541 519 K N 0.800 120.969 120.400 -0.385 0.000 2.097 519 K HA 0.051 4.370 4.320 -0.001 0.000 0.205 519 K C 2.894 179.201 176.600 -0.488 0.000 1.050 519 K CA 0.997 56.892 56.287 -0.653 0.000 0.938 519 K CB -0.349 31.244 32.500 -1.513 0.000 0.718 519 K HN 0.262 nan 8.250 nan 0.000 0.442 520 A N 1.486 124.132 122.820 -0.291 0.000 1.877 520 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 520 A C 2.228 179.777 177.584 -0.060 0.000 1.186 520 A CA 1.210 53.199 52.037 -0.080 0.000 0.620 520 A CB -0.600 18.416 19.000 0.026 0.000 0.822 520 A HN 0.118 nan 8.150 nan 0.000 0.443 521 L N -0.306 120.873 121.223 -0.072 0.000 1.956 521 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 521 L C 3.014 179.857 176.870 -0.044 0.000 1.073 521 L CA 2.316 57.127 54.840 -0.049 0.000 0.762 521 L CB -0.785 41.243 42.059 -0.050 0.000 0.889 521 L HN 0.394 nan 8.230 nan 0.000 0.433 522 A N -1.589 121.188 122.820 -0.071 0.000 2.019 522 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 522 A C 2.231 179.800 177.584 -0.025 0.000 1.164 522 A CA 1.729 53.735 52.037 -0.051 0.000 0.644 522 A CB -0.724 18.229 19.000 -0.078 0.000 0.805 522 A HN 0.374 nan 8.150 nan 0.000 0.449 523 L N -0.295 120.905 121.223 -0.039 0.000 2.072 523 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 523 L C 2.290 179.199 176.870 0.065 0.000 1.079 523 L CA 1.900 56.750 54.840 0.017 0.000 0.752 523 L CB -0.450 41.624 42.059 0.024 0.000 0.906 523 L HN 0.461 nan 8.230 nan 0.000 0.436 524 E N -0.418 119.814 120.200 0.053 0.000 2.097 524 E HA -0.299 4.051 4.350 -0.001 0.000 0.196 524 E C 2.107 178.772 176.600 0.107 0.000 1.000 524 E CA 1.621 58.066 56.400 0.075 0.000 0.804 524 E CB -0.093 29.627 29.700 0.032 0.000 0.740 524 E HN 0.479 nan 8.360 nan 0.000 0.454 525 K N 0.453 120.897 120.400 0.074 0.000 2.147 525 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 525 K C 2.315 179.007 176.600 0.153 0.000 1.049 525 K CA 0.874 57.224 56.287 0.104 0.000 0.936 525 K CB -0.020 32.511 32.500 0.051 0.000 0.722 525 K HN 0.057 nan 8.250 nan 0.000 0.446 526 Q N 1.126 120.995 119.800 0.115 0.000 2.020 526 Q HA -0.092 4.248 4.340 -0.001 0.000 0.198 526 Q C 2.175 178.264 176.000 0.148 0.000 0.974 526 Q CA 1.237 57.111 55.803 0.117 0.000 0.829 526 Q CB -0.130 28.658 28.738 0.084 0.000 0.894 526 Q HN 0.335 nan 8.270 nan 0.000 0.433 527 L N -0.035 121.281 121.223 0.156 0.000 2.043 527 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 527 L C 2.512 179.478 176.870 0.160 0.000 1.075 527 L CA 1.804 56.752 54.840 0.179 0.000 0.752 527 L CB -0.640 41.539 42.059 0.199 0.000 0.891 527 L HN 0.319 nan 8.230 nan 0.000 0.432 528 Y N 0.757 121.089 120.300 0.054 0.000 2.184 528 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 528 Y C 2.560 178.537 175.900 0.128 0.000 1.129 528 Y CA 1.405 59.525 58.100 0.033 0.000 1.144 528 Y CB 0.095 38.584 38.460 0.047 0.000 0.995 528 Y HN 0.105 nan 8.280 nan 0.000 0.513 529 E N 0.269 120.650 120.200 0.302 0.000 2.478 529 E HA -0.166 4.183 4.350 -0.001 0.000 0.198 529 E C 1.664 178.403 176.600 0.231 0.000 1.046 529 E CA 0.661 57.264 56.400 0.340 0.000 0.870 529 E CB -0.091 29.753 29.700 0.240 0.000 0.818 529 E HN 0.662 nan 8.360 nan 0.000 0.527 530 E N 0.487 120.766 120.200 0.132 0.000 2.371 530 E HA -0.023 4.327 4.350 -0.001 0.000 0.194 530 E C 1.974 178.599 176.600 0.042 0.000 1.012 530 E CA -0.050 56.409 56.400 0.098 0.000 0.860 530 E CB 0.200 29.963 29.700 0.106 0.000 0.811 530 E HN 0.227 nan 8.360 nan 0.000 0.502 531 L N -0.023 121.147 121.223 -0.088 0.000 2.056 531 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 531 L C 2.171 178.905 176.870 -0.226 0.000 1.078 531 L CA 1.077 55.776 54.840 -0.234 0.000 0.749 531 L CB -0.410 41.328 42.059 -0.536 0.000 0.901 531 L HN 0.147 nan 8.230 nan 0.000 0.433 532 F N 0.189 120.053 119.950 -0.143 0.000 2.095 532 F HA -0.292 4.235 4.527 -0.001 0.000 0.298 532 F C 2.450 178.221 175.800 -0.048 0.000 1.104 532 F CA 1.545 59.485 58.000 -0.100 0.000 1.232 532 F CB -0.689 38.251 39.000 -0.099 0.000 0.987 532 F HN 0.143 nan 8.300 nan 0.000 0.475 533 D N 0.314 120.805 120.400 0.152 0.000 2.158 533 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 533 D C 2.362 178.694 176.300 0.053 0.000 0.995 533 D CA 1.312 55.363 54.000 0.085 0.000 0.846 533 D CB -0.309 40.535 40.800 0.072 0.000 0.941 533 D HN 0.287 nan 8.370 nan 0.000 0.456 534 L N -0.147 121.104 121.223 0.047 0.000 2.162 534 L HA -0.046 4.294 4.340 -0.001 0.000 0.205 534 L C 2.445 179.360 176.870 0.075 0.000 1.086 534 L CA 0.375 55.247 54.840 0.054 0.000 0.778 534 L CB -0.048 42.048 42.059 0.061 0.000 0.928 534 L HN -0.013 nan 8.230 nan 0.000 0.446 535 L N -1.467 119.787 121.223 0.052 0.000 2.202 535 L HA -0.107 4.232 4.340 -0.001 0.000 0.205 535 L C 2.297 179.215 176.870 0.081 0.000 1.083 535 L CA 0.155 55.043 54.840 0.080 0.000 0.790 535 L CB -0.279 41.776 42.059 -0.006 0.000 0.942 535 L HN 0.125 nan 8.230 nan 0.000 0.452 536 L N 0.499 121.758 121.223 0.059 0.000 2.081 536 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 536 L C -0.240 176.629 176.870 -0.002 0.000 1.080 536 L CA 2.168 57.036 54.840 0.048 0.000 0.754 536 L CB -1.848 40.247 42.059 0.061 0.000 0.893 536 L HN 0.124 nan 8.230 nan 0.000 0.433 537 P HA -0.172 nan 4.420 nan 0.000 0.217 537 P C 0.297 177.430 177.300 -0.278 0.000 1.148 537 P CA 1.579 64.552 63.100 -0.212 0.000 0.834 537 P CB -0.131 31.354 31.700 -0.357 0.000 0.783 538 H N -2.321 116.781 119.070 0.053 0.000 2.577 538 H HA 0.187 4.742 4.556 -0.001 0.000 0.306 538 H C 1.330 176.683 175.328 0.041 0.000 1.109 538 H CA -0.481 55.608 56.048 0.070 0.000 1.063 538 H CB -0.370 29.441 29.762 0.081 0.000 1.535 538 H HN -0.007 nan 8.280 nan 0.000 0.532 539 L N 0.467 121.752 121.223 0.105 0.000 2.044 539 L HA -0.059 4.280 4.340 -0.001 0.000 0.205 539 L C 2.306 179.240 176.870 0.107 0.000 1.075 539 L CA 1.736 56.626 54.840 0.084 0.000 0.747 539 L CB -0.130 41.973 42.059 0.073 0.000 0.903 539 L HN 0.374 nan 8.230 nan 0.000 0.435 540 E N -0.434 119.839 120.200 0.121 0.000 2.023 540 E HA -0.285 4.065 4.350 -0.001 0.000 0.196 540 E C 2.112 178.808 176.600 0.160 0.000 1.003 540 E CA 1.450 57.930 56.400 0.133 0.000 0.809 540 E CB -0.287 29.486 29.700 0.122 0.000 0.755 540 E HN 0.597 nan 8.360 nan 0.000 0.449 541 A N 0.815 123.760 122.820 0.208 0.000 1.908 541 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 541 A C 2.229 180.029 177.584 0.360 0.000 1.181 541 A CA 1.360 53.577 52.037 0.299 0.000 0.627 541 A CB -0.735 18.509 19.000 0.406 0.000 0.818 541 A HN 0.366 nan 8.150 nan 0.000 0.445 542 L N -0.940 120.393 121.223 0.182 0.000 2.141 542 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 542 L C 2.934 179.842 176.870 0.064 0.000 1.094 542 L CA 1.252 56.072 54.840 -0.033 0.000 0.763 542 L CB -0.320 41.632 42.059 -0.178 0.000 0.908 542 L HN 0.511 nan 8.230 nan 0.000 0.437 543 Q N -0.702 119.154 119.800 0.094 0.000 1.990 543 Q HA -0.250 4.089 4.340 -0.001 0.000 0.200 543 Q C 2.152 178.217 176.000 0.109 0.000 0.980 543 Q CA 1.450 57.309 55.803 0.093 0.000 0.832 543 Q CB -0.156 28.648 28.738 0.109 0.000 0.897 543 Q HN 0.539 nan 8.270 nan 0.000 0.427 544 Q N -0.076 119.803 119.800 0.131 0.000 2.364 544 Q HA -0.131 4.208 4.340 -0.001 0.000 0.209 544 Q C 2.139 178.221 176.000 0.137 0.000 0.977 544 Q CA 1.035 56.912 55.803 0.124 0.000 0.885 544 Q CB -0.034 28.775 28.738 0.119 0.000 0.941 544 Q HN 0.204 nan 8.270 nan 0.000 0.464 545 S N 0.385 116.201 115.700 0.193 0.000 2.345 545 S HA -0.124 4.346 4.470 -0.001 0.000 0.220 545 S C 2.053 176.736 174.600 0.139 0.000 1.031 545 S CA 1.039 59.372 58.200 0.221 0.000 0.996 545 S CB -0.134 63.330 63.200 0.440 0.000 0.882 545 S HN 0.439 nan 8.310 nan 0.000 0.445 546 A N 0.587 123.470 122.820 0.104 0.000 1.978 546 A HA -0.070 4.249 4.320 -0.001 0.000 0.220 546 A C 2.433 180.039 177.584 0.037 0.000 1.170 546 A CA 2.176 54.241 52.037 0.047 0.000 0.636 546 A CB -1.348 17.663 19.000 0.019 0.000 0.810 546 A HN 0.601 nan 8.150 nan 0.000 0.448 547 S N -0.703 115.031 115.700 0.055 0.000 2.355 547 S HA 0.002 4.471 4.470 -0.001 0.000 0.222 547 S C 2.202 176.826 174.600 0.040 0.000 1.031 547 S CA 1.443 59.672 58.200 0.047 0.000 0.993 547 S CB -0.433 62.809 63.200 0.070 0.000 0.859 547 S HN 0.811 nan 8.310 nan 0.000 0.453 548 A N 1.265 124.119 122.820 0.057 0.000 1.930 548 A HA 0.074 4.393 4.320 -0.001 0.000 0.217 548 A C 2.133 179.733 177.584 0.026 0.000 1.175 548 A CA 1.243 53.310 52.037 0.050 0.000 0.627 548 A CB -0.737 18.299 19.000 0.059 0.000 0.815 548 A HN 0.566 nan 8.150 nan 0.000 0.443 549 L N -0.871 120.368 121.223 0.026 0.000 2.131 549 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 549 L C 3.016 179.870 176.870 -0.027 0.000 1.092 549 L CA 0.930 55.773 54.840 0.004 0.000 0.759 549 L CB -0.492 41.573 42.059 0.010 0.000 0.903 549 L HN 0.450 nan 8.230 nan 0.000 0.435 550 A N -0.189 122.608 122.820 -0.038 0.000 1.854 550 A HA -0.221 4.099 4.320 -0.001 0.000 0.214 550 A C 2.280 179.779 177.584 -0.140 0.000 1.192 550 A CA 1.503 53.489 52.037 -0.086 0.000 0.611 550 A CB -0.503 18.448 19.000 -0.083 0.000 0.832 550 A HN 0.406 nan 8.150 nan 0.000 0.442 551 E N -0.682 119.450 120.200 -0.114 0.000 2.085 551 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 551 E C 1.867 178.420 176.600 -0.078 0.000 0.994 551 E CA 1.299 57.617 56.400 -0.135 0.000 0.801 551 E CB -0.164 29.559 29.700 0.039 0.000 0.743 551 E HN 0.372 nan 8.360 nan 0.000 0.453 552 L N 1.575 122.779 121.223 -0.032 0.000 2.046 552 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 552 L C 2.112 178.960 176.870 -0.037 0.000 1.077 552 L CA 1.964 56.795 54.840 -0.016 0.000 0.747 552 L CB -0.604 41.449 42.059 -0.011 0.000 0.896 552 L HN 0.201 nan 8.230 nan 0.000 0.432 553 D N -1.048 119.316 120.400 -0.060 0.000 2.133 553 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 553 D C 2.107 178.360 176.300 -0.078 0.000 0.997 553 D CA 1.510 55.471 54.000 -0.064 0.000 0.840 553 D CB 0.109 40.864 40.800 -0.074 0.000 0.947 553 D HN 0.177 nan 8.370 nan 0.000 0.452 554 V N 0.489 120.321 119.914 -0.136 0.000 2.244 554 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 554 V C 2.840 178.912 176.094 -0.036 0.000 1.042 554 V CA 1.258 63.464 62.300 -0.157 0.000 1.006 554 V CB -0.612 30.956 31.823 -0.426 0.000 0.641 554 V HN 0.210 nan 8.190 nan 0.000 0.446 555 L N -0.199 121.029 121.223 0.009 0.000 2.012 555 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 555 L C 2.528 179.418 176.870 0.034 0.000 1.073 555 L CA 1.287 56.178 54.840 0.084 0.000 0.748 555 L CB -0.790 41.339 42.059 0.117 0.000 0.891 555 L HN 0.170 nan 8.230 nan 0.000 0.431 556 V N 0.452 120.373 119.914 0.011 0.000 2.324 556 V HA -0.345 3.774 4.120 -0.001 0.000 0.250 556 V C 2.294 178.386 176.094 -0.004 0.000 1.060 556 V CA 2.329 64.631 62.300 0.004 0.000 1.042 556 V CB -0.820 31.003 31.823 -0.001 0.000 0.650 556 V HN 0.586 nan 8.190 nan 0.000 0.450 557 N N 0.213 118.909 118.700 -0.007 0.000 2.080 557 N HA -0.141 4.598 4.740 -0.001 0.000 0.189 557 N C 1.718 177.230 175.510 0.004 0.000 1.036 557 N CA 1.678 54.725 53.050 -0.006 0.000 0.846 557 N CB -0.352 38.129 38.487 -0.011 0.000 1.015 557 N HN 0.414 nan 8.380 nan 0.000 0.423 558 L N 0.009 121.246 121.223 0.024 0.000 2.043 558 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 558 L C 2.517 179.370 176.870 -0.027 0.000 1.075 558 L CA 1.399 56.263 54.840 0.040 0.000 0.752 558 L CB -0.684 41.433 42.059 0.097 0.000 0.891 558 L HN 0.321 nan 8.230 nan 0.000 0.432 559 A N -0.398 122.388 122.820 -0.056 0.000 1.865 559 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 559 A C 2.342 179.883 177.584 -0.073 0.000 1.191 559 A CA 1.976 53.944 52.037 -0.114 0.000 0.623 559 A CB -0.602 18.358 19.000 -0.066 0.000 0.826 559 A HN 0.461 nan 8.150 nan 0.000 0.444 560 E N -0.048 120.129 120.200 -0.038 0.000 2.077 560 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 560 E C 2.157 178.760 176.600 0.004 0.000 0.989 560 E CA 1.042 57.433 56.400 -0.014 0.000 0.800 560 E CB -0.303 29.385 29.700 -0.020 0.000 0.746 560 E HN 0.423 nan 8.360 nan 0.000 0.452 561 R N 0.289 120.771 120.500 -0.031 0.000 2.083 561 R HA -0.101 4.238 4.340 -0.001 0.000 0.237 561 R C 2.375 178.542 176.300 -0.220 0.000 1.137 561 R CA 1.290 57.338 56.100 -0.087 0.000 0.951 561 R CB -1.073 29.218 30.300 -0.016 0.000 0.851 561 R HN 0.272 nan 8.270 nan 0.000 0.434 562 A N -0.019 122.724 122.820 -0.128 0.000 1.978 562 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 562 A C 2.048 179.592 177.584 -0.067 0.000 1.170 562 A CA 1.341 53.316 52.037 -0.102 0.000 0.636 562 A CB -0.573 18.311 19.000 -0.193 0.000 0.810 562 A HN 0.468 nan 8.150 nan 0.000 0.448 563 Y N 0.722 120.929 120.300 -0.154 0.000 2.177 563 Y HA -0.100 4.450 4.550 -0.001 0.000 0.291 563 Y C 2.698 178.520 175.900 -0.131 0.000 1.117 563 Y CA 2.203 60.241 58.100 -0.104 0.000 1.114 563 Y CB -0.582 37.829 38.460 -0.082 0.000 1.017 563 Y HN 0.284 nan 8.280 nan 0.000 0.505 564 T N 1.600 116.159 114.554 0.010 0.000 2.635 564 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 564 T C 1.681 176.249 174.700 -0.219 0.000 1.040 564 T CA 2.250 64.299 62.100 -0.085 0.000 1.156 564 T CB -0.610 68.248 68.868 -0.016 0.000 0.863 564 T HN 0.332 nan 8.240 nan 0.000 0.430 565 L N 0.700 121.725 121.223 -0.330 0.000 2.592 565 L HA 0.289 4.629 4.340 -0.001 0.000 0.227 565 L C 0.722 177.376 176.870 -0.359 0.000 1.127 565 L CA -0.136 54.473 54.840 -0.385 0.000 0.884 565 L CB -0.568 41.140 42.059 -0.585 0.000 1.065 565 L HN 0.410 nan 8.230 nan 0.000 0.457 566 N N 0.633 119.140 118.700 -0.321 0.000 2.621 566 N HA -0.199 4.540 4.740 -0.001 0.000 0.269 566 N C -1.231 174.362 175.510 0.139 0.000 1.154 566 N CA -0.032 52.953 53.050 -0.108 0.000 0.696 566 N CB -0.368 38.082 38.487 -0.061 0.000 0.878 566 N HN 0.113 nan 8.380 nan 0.000 0.550 567 Y N 0.111 120.459 120.300 0.080 0.000 2.602 567 Y HA 0.600 5.149 4.550 -0.001 0.000 0.330 567 Y C 1.109 177.106 175.900 0.161 0.000 1.114 567 Y CA -0.669 57.501 58.100 0.116 0.000 1.182 567 Y CB 1.284 39.846 38.460 0.171 0.000 1.305 567 Y HN 0.278 nan 8.280 nan 0.000 0.502 568 T N -2.725 111.951 114.554 0.204 0.000 2.916 568 T HA 0.401 4.750 4.350 -0.001 0.000 0.292 568 T C -0.811 173.606 174.700 -0.472 0.000 1.055 568 T CA -0.821 61.240 62.100 -0.065 0.000 1.009 568 T CB 1.392 70.220 68.868 -0.067 0.000 1.118 568 T HN 0.739 nan 8.240 nan 0.000 0.497 569 C N 4.248 123.037 119.300 -0.851 0.000 2.576 569 C HA 0.581 5.041 4.460 -0.001 0.000 0.401 569 C C -1.942 172.761 174.990 -0.478 0.000 1.314 569 C CA -1.146 57.285 59.018 -0.977 0.000 1.855 569 C CB -0.434 26.794 27.740 -0.854 0.000 2.537 569 C HN 0.745 nan 8.230 nan 0.000 0.578 570 P HA 0.401 nan 4.420 nan 0.000 0.282 570 P C -0.832 176.120 177.300 -0.579 0.000 1.259 570 P CA 0.018 62.854 63.100 -0.440 0.000 0.826 570 P CB 1.233 32.661 31.700 -0.453 0.000 1.064 571 T N -0.839 113.389 114.554 -0.542 0.000 2.932 571 T HA 0.686 5.036 4.350 -0.001 0.000 0.289 571 T C -0.298 174.027 174.700 -0.625 0.000 1.039 571 T CA -0.450 61.346 62.100 -0.506 0.000 1.024 571 T CB 0.704 69.447 68.868 -0.208 0.000 1.090 571 T HN 0.132 nan 8.240 nan 0.000 0.496 572 F N 0.734 120.649 119.950 -0.057 0.000 2.507 572 F HA 0.754 5.281 4.527 -0.001 0.000 0.327 572 F C 0.385 176.185 175.800 -0.000 0.000 1.068 572 F CA -1.388 56.594 58.000 -0.030 0.000 0.965 572 F CB 1.278 40.237 39.000 -0.068 0.000 1.192 572 F HN 0.703 nan 8.300 nan 0.000 0.476 573 I N -2.451 118.246 120.570 0.213 0.000 3.206 573 I HA 0.598 4.767 4.170 -0.001 0.000 0.313 573 I C -0.146 176.051 176.117 0.133 0.000 1.103 573 I CA -0.808 60.567 61.300 0.125 0.000 0.985 573 I CB 1.672 39.717 38.000 0.074 0.000 1.240 573 I HN 0.326 nan 8.210 nan 0.000 0.464 574 D N 1.105 121.561 120.400 0.094 0.000 2.107 574 D HA 0.029 4.669 4.640 -0.001 0.000 0.204 574 D C 0.351 176.718 176.300 0.112 0.000 0.978 574 D CA 1.693 55.750 54.000 0.095 0.000 0.852 574 D CB -0.017 40.822 40.800 0.066 0.000 1.008 574 D HN 0.374 nan 8.370 nan 0.000 0.458 575 K N 0.732 121.173 120.400 0.069 0.000 2.168 575 K HA 0.266 4.585 4.320 -0.001 0.000 0.258 575 K C -2.357 174.246 176.600 0.005 0.000 1.010 575 K CA -1.389 54.913 56.287 0.025 0.000 0.929 575 K CB 0.106 32.600 32.500 -0.010 0.000 0.998 575 K HN -0.094 nan 8.250 nan 0.000 0.479 576 P HA 0.174 nan 4.420 nan 0.000 0.268 576 P C -0.639 176.622 177.300 -0.064 0.000 1.208 576 P CA 0.202 63.221 63.100 -0.136 0.000 0.777 576 P CB 0.709 32.203 31.700 -0.343 0.000 0.875 577 G N 0.797 109.580 108.800 -0.029 0.000 2.347 577 G HA2 0.386 4.345 3.960 -0.001 0.000 0.303 577 G HA3 0.386 4.345 3.960 -0.001 0.000 0.303 577 G C -2.033 172.867 174.900 0.000 0.000 1.481 577 G CA -0.657 44.431 45.100 -0.019 0.000 0.914 577 G HN 0.389 nan 8.290 nan 0.000 0.638 578 I N 0.611 121.174 120.570 -0.012 0.000 2.500 578 I HA 0.456 4.625 4.170 -0.001 0.000 0.286 578 I C -0.183 175.923 176.117 -0.019 0.000 1.063 578 I CA -0.696 60.595 61.300 -0.015 0.000 1.062 578 I CB 2.325 40.306 38.000 -0.031 0.000 1.223 578 I HN 0.311 nan 8.210 nan 0.000 0.435 579 R N 6.823 127.310 120.500 -0.022 0.000 2.312 579 R HA 0.592 4.932 4.340 -0.001 0.000 0.310 579 R C -0.831 175.454 176.300 -0.025 0.000 1.064 579 R CA -0.553 55.536 56.100 -0.018 0.000 0.983 579 R CB 1.467 31.756 30.300 -0.018 0.000 1.139 579 R HN 0.549 nan 8.270 nan 0.000 0.536 580 I N 1.940 122.502 120.570 -0.013 0.000 2.385 580 I HA 0.254 4.423 4.170 -0.001 0.000 0.294 580 I C 0.145 176.269 176.117 0.011 0.000 0.988 580 I CA -0.341 60.953 61.300 -0.010 0.000 1.265 580 I CB 2.082 40.079 38.000 -0.004 0.000 1.388 580 I HN 0.331 nan 8.210 nan 0.000 0.480 581 T N 4.833 119.389 114.554 0.004 0.000 2.833 581 T HA 0.243 4.592 4.350 -0.001 0.000 0.297 581 T C -0.256 174.461 174.700 0.029 0.000 1.015 581 T CA -0.458 61.652 62.100 0.016 0.000 0.963 581 T CB 0.902 69.771 68.868 0.002 0.000 0.955 581 T HN 0.588 nan 8.240 nan 0.000 0.449 582 E N 0.732 120.963 120.200 0.053 0.000 2.358 582 E HA -0.124 4.226 4.350 -0.001 0.000 0.246 582 E C 0.469 177.123 176.600 0.090 0.000 1.127 582 E CA 0.580 57.024 56.400 0.074 0.000 0.726 582 E CB -1.433 28.303 29.700 0.060 0.000 1.272 582 E HN 0.953 nan 8.360 nan 0.000 0.390 583 G N 1.205 110.067 108.800 0.103 0.000 2.372 583 G HA2 0.353 4.313 3.960 -0.001 0.000 0.286 583 G HA3 0.353 4.313 3.960 -0.001 0.000 0.286 583 G C 0.266 175.266 174.900 0.167 0.000 1.153 583 G CA -0.439 44.714 45.100 0.088 0.000 0.985 583 G HN -0.007 nan 8.290 nan 0.000 0.429 584 R N 1.130 121.696 120.500 0.110 0.000 2.720 584 R HA 0.376 4.715 4.340 -0.001 0.000 0.272 584 R C -0.067 176.159 176.300 -0.123 0.000 0.991 584 R CA -1.007 55.163 56.100 0.117 0.000 1.010 584 R CB 0.991 31.300 30.300 0.015 0.000 1.141 584 R HN 0.567 nan 8.270 nan 0.000 0.494 585 H N 4.424 123.230 119.070 -0.440 0.000 2.878 585 H HA 0.095 4.650 4.556 -0.001 0.000 0.290 585 H C -1.600 173.491 175.328 -0.396 0.000 1.065 585 H CA -2.199 53.644 56.048 -0.342 0.000 1.477 585 H CB 1.254 30.902 29.762 -0.189 0.000 1.484 585 H HN 0.395 nan 8.280 nan 0.000 0.504 586 P HA -0.145 nan 4.420 nan 0.000 0.220 586 P C 1.233 178.566 177.300 0.055 0.000 1.148 586 P CA 0.729 63.771 63.100 -0.098 0.000 0.803 586 P CB 0.647 32.236 31.700 -0.184 0.000 0.782 587 V N -0.731 119.317 119.914 0.223 0.000 2.672 587 V HA -0.051 4.069 4.120 -0.001 0.000 0.242 587 V C 2.659 178.772 176.094 0.031 0.000 1.059 587 V CA 0.904 63.290 62.300 0.144 0.000 1.081 587 V CB -0.736 31.194 31.823 0.178 0.000 0.752 587 V HN -0.114 nan 8.190 nan 0.000 0.472 588 V N 1.807 121.688 119.914 -0.054 0.000 2.809 588 V HA -0.188 3.931 4.120 -0.001 0.000 0.256 588 V C 2.495 178.515 176.094 -0.123 0.000 1.080 588 V CA 1.901 64.097 62.300 -0.175 0.000 1.102 588 V CB -0.856 30.796 31.823 -0.284 0.000 0.705 588 V HN 0.854 nan 8.190 nan 0.000 0.475 589 E N 0.062 120.059 120.200 -0.338 0.000 2.274 589 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 589 E C 1.922 178.503 176.600 -0.031 0.000 0.996 589 E CA 0.937 57.179 56.400 -0.262 0.000 0.840 589 E CB -0.161 29.298 29.700 -0.401 0.000 0.772 589 E HN 0.531 nan 8.360 nan 0.000 0.491 590 Q N 0.605 120.393 119.800 -0.019 0.000 2.259 590 Q HA 0.040 4.380 4.340 -0.001 0.000 0.201 590 Q C 2.381 178.393 176.000 0.021 0.000 0.938 590 Q CA 0.889 56.699 55.803 0.012 0.000 0.872 590 Q CB -0.156 28.593 28.738 0.018 0.000 0.971 590 Q HN 0.284 nan 8.270 nan 0.000 0.494 591 V N 0.726 120.650 119.914 0.017 0.000 2.809 591 V HA -0.076 4.044 4.120 -0.001 0.000 0.256 591 V C 0.714 176.829 176.094 0.035 0.000 1.080 591 V CA 0.500 62.813 62.300 0.021 0.000 1.102 591 V CB -0.136 31.693 31.823 0.009 0.000 0.705 591 V HN 0.056 nan 8.190 nan 0.000 0.475 592 L N 0.900 122.156 121.223 0.056 0.000 2.453 592 L HA 0.335 4.675 4.340 -0.001 0.000 0.261 592 L C 1.156 178.064 176.870 0.063 0.000 1.179 592 L CA 0.692 55.577 54.840 0.074 0.000 0.813 592 L CB 0.874 43.011 42.059 0.130 0.000 1.110 592 L HN 0.277 nan 8.230 nan 0.000 0.466 593 N N -0.357 118.377 118.700 0.057 0.000 2.508 593 N HA -0.002 4.737 4.740 -0.001 0.000 0.186 593 N C -0.526 175.018 175.510 0.056 0.000 1.034 593 N CA 0.179 53.258 53.050 0.049 0.000 0.885 593 N CB -0.292 38.218 38.487 0.039 0.000 1.135 593 N HN 0.646 nan 8.380 nan 0.000 0.435 594 E N 2.816 123.053 120.200 0.060 0.000 2.328 594 E HA 0.195 4.544 4.350 -0.001 0.000 0.265 594 E C -2.268 174.381 176.600 0.081 0.000 1.057 594 E CA -1.755 54.682 56.400 0.061 0.000 0.916 594 E CB -0.214 29.522 29.700 0.059 0.000 0.993 594 E HN 0.084 nan 8.360 nan 0.000 0.446 595 P HA -0.174 nan 4.420 nan 0.000 0.259 595 P C -1.058 176.319 177.300 0.128 0.000 1.155 595 P CA 0.548 63.710 63.100 0.104 0.000 0.759 595 P CB 0.082 31.825 31.700 0.072 0.000 0.753 596 F N 4.815 124.784 119.950 0.031 0.000 2.445 596 F HA 0.198 4.724 4.527 -0.001 0.000 0.359 596 F C 0.473 176.300 175.800 0.045 0.000 1.101 596 F CA -0.697 57.320 58.000 0.028 0.000 1.177 596 F CB 0.310 39.329 39.000 0.032 0.000 1.110 596 F HN 0.138 nan 8.300 nan 0.000 0.522 597 I N 6.619 126.993 120.570 -0.328 0.000 2.581 597 I HA 0.079 4.248 4.170 -0.001 0.000 0.285 597 I C 0.900 177.017 176.117 0.000 0.000 1.129 597 I CA -0.131 61.089 61.300 -0.134 0.000 1.397 597 I CB -0.559 37.354 38.000 -0.146 0.000 1.399 597 I HN 0.655 nan 8.210 nan 0.000 0.537 598 A N 7.728 130.631 122.820 0.138 0.000 2.406 598 A HA 0.369 4.689 4.320 -0.001 0.000 0.243 598 A C 0.326 177.987 177.584 0.128 0.000 1.082 598 A CA -0.165 51.985 52.037 0.189 0.000 0.786 598 A CB 0.275 19.359 19.000 0.139 0.000 1.029 598 A HN 0.829 nan 8.150 nan 0.000 0.495 599 N N 0.578 119.377 118.700 0.165 0.000 2.493 599 N HA 0.377 5.116 4.740 -0.001 0.000 0.279 599 N C -3.198 172.424 175.510 0.187 0.000 1.082 599 N CA -0.667 52.468 53.050 0.141 0.000 0.963 599 N CB 2.841 41.418 38.487 0.151 0.000 1.627 599 N HN 0.428 nan 8.380 nan 0.000 0.499 600 P HA 0.358 nan 4.420 nan 0.000 0.274 600 P C -0.902 176.521 177.300 0.205 0.000 1.256 600 P CA -0.525 62.648 63.100 0.122 0.000 0.795 600 P CB 1.399 33.138 31.700 0.065 0.000 1.038 601 L N 0.647 121.948 121.223 0.130 0.000 2.506 601 L HA 0.585 4.924 4.340 -0.001 0.000 0.257 601 L C -1.529 175.373 176.870 0.053 0.000 0.964 601 L CA -0.399 54.514 54.840 0.122 0.000 0.836 601 L CB 2.018 44.101 42.059 0.039 0.000 1.384 601 L HN 0.360 nan 8.230 nan 0.000 0.410 602 N N 4.369 123.096 118.700 0.046 0.000 2.621 602 N HA 0.436 5.175 4.740 -0.001 0.000 0.271 602 N C -2.103 173.412 175.510 0.010 0.000 1.181 602 N CA -0.151 52.910 53.050 0.019 0.000 0.805 602 N CB 1.060 39.558 38.487 0.018 0.000 1.351 602 N HN 0.635 nan 8.380 nan 0.000 0.539 603 L N 1.687 122.907 121.223 -0.005 0.000 2.346 603 L HA 0.639 4.979 4.340 -0.001 0.000 0.276 603 L C 0.316 177.172 176.870 -0.022 0.000 1.006 603 L CA -0.426 54.405 54.840 -0.015 0.000 0.817 603 L CB 1.896 43.941 42.059 -0.024 0.000 1.272 603 L HN 0.568 nan 8.230 nan 0.000 0.421 604 S N 1.159 116.842 115.700 -0.029 0.000 2.688 604 S HA 0.558 5.027 4.470 -0.001 0.000 0.275 604 S C -2.623 171.947 174.600 -0.050 0.000 1.175 604 S CA -1.089 57.089 58.200 -0.037 0.000 0.818 604 S CB 1.793 64.977 63.200 -0.026 0.000 1.157 604 S HN 0.255 nan 8.310 nan 0.000 0.482 605 P HA 0.018 nan 4.420 nan 0.000 0.220 605 P C 1.091 178.362 177.300 -0.048 0.000 1.148 605 P CA 1.183 64.243 63.100 -0.067 0.000 0.803 605 P CB 0.033 31.691 31.700 -0.071 0.000 0.782 606 Q N -1.165 118.613 119.800 -0.037 0.000 2.172 606 Q HA -0.030 4.309 4.340 -0.001 0.000 0.200 606 Q C 1.315 177.298 176.000 -0.028 0.000 0.964 606 Q CA 1.099 56.884 55.803 -0.029 0.000 0.855 606 Q CB -0.243 28.482 28.738 -0.021 0.000 0.918 606 Q HN 0.114 nan 8.270 nan 0.000 0.444 607 R N 0.843 121.326 120.500 -0.028 0.000 2.651 607 R HA 0.204 4.544 4.340 -0.001 0.000 0.282 607 R C 0.427 176.711 176.300 -0.027 0.000 1.565 607 R CA -0.087 55.999 56.100 -0.023 0.000 1.661 607 R CB 0.186 30.477 30.300 -0.014 0.000 1.189 607 R HN 0.114 nan 8.270 nan 0.000 0.621 608 R N 1.479 121.958 120.500 -0.035 0.000 2.290 608 R HA 0.232 4.571 4.340 -0.001 0.000 0.197 608 R C 0.203 176.483 176.300 -0.033 0.000 0.913 608 R CA 0.055 56.130 56.100 -0.041 0.000 1.040 608 R CB 0.500 30.768 30.300 -0.054 0.000 0.992 608 R HN 0.262 nan 8.270 nan 0.000 0.500 609 M N 1.554 121.137 119.600 -0.028 0.000 2.395 609 M HA 0.432 4.911 4.480 -0.001 0.000 0.307 609 M C -1.922 174.376 176.300 -0.003 0.000 1.091 609 M CA -0.844 54.448 55.300 -0.014 0.000 0.919 609 M CB 2.325 34.910 32.600 -0.025 0.000 1.662 609 M HN 0.039 nan 8.290 nan 0.000 0.440 610 L N 5.978 127.216 121.223 0.025 0.000 2.372 610 L HA 0.480 4.820 4.340 -0.001 0.000 0.273 610 L C -0.864 176.031 176.870 0.042 0.000 0.989 610 L CA -0.880 53.980 54.840 0.034 0.000 0.841 610 L CB 1.783 43.883 42.059 0.069 0.000 1.225 610 L HN 0.623 nan 8.230 nan 0.000 0.414 611 I N 5.046 125.607 120.570 -0.015 0.000 2.363 611 I HA 0.173 4.342 4.170 -0.001 0.000 0.292 611 I C 0.377 176.470 176.117 -0.039 0.000 1.075 611 I CA 0.099 61.356 61.300 -0.072 0.000 1.333 611 I CB 0.600 38.503 38.000 -0.162 0.000 1.415 611 I HN 0.464 nan 8.210 nan 0.000 0.502 612 I N 7.213 127.785 120.570 0.003 0.000 2.287 612 I HA 0.147 4.316 4.170 -0.001 0.000 0.290 612 I C 0.850 176.963 176.117 -0.007 0.000 1.069 612 I CA -0.248 61.074 61.300 0.037 0.000 1.237 612 I CB 0.386 38.455 38.000 0.115 0.000 1.418 612 I HN 0.528 nan 8.210 nan 0.000 0.481 613 T N 2.574 117.116 114.554 -0.021 0.000 2.852 613 T HA 0.868 5.218 4.350 -0.001 0.000 0.281 613 T C 0.489 175.258 174.700 0.116 0.000 0.993 613 T CA -0.404 61.675 62.100 -0.035 0.000 0.933 613 T CB 1.813 70.535 68.868 -0.243 0.000 1.187 613 T HN 0.897 nan 8.240 nan 0.000 0.559 614 G N 0.292 109.206 108.800 0.190 0.000 2.362 614 G HA2 0.321 4.281 3.960 -0.001 0.000 0.646 614 G HA3 0.321 4.281 3.960 -0.001 0.000 0.646 614 G C -3.421 171.663 174.900 0.307 0.000 1.295 614 G CA -0.765 44.495 45.100 0.266 0.000 0.992 614 G HN 0.782 nan 8.290 nan 0.000 0.540 615 P HA 0.407 nan 4.420 nan 0.000 0.287 615 P C -0.264 177.108 177.300 0.122 0.000 1.292 615 P CA -0.838 62.408 63.100 0.243 0.000 0.879 615 P CB 1.202 33.029 31.700 0.212 0.000 1.214 616 N N 0.246 119.015 118.700 0.116 0.000 2.415 616 N HA 0.172 4.911 4.740 -0.001 0.000 0.248 616 N C 0.753 176.153 175.510 -0.184 0.000 1.271 616 N CA 0.143 53.215 53.050 0.036 0.000 0.913 616 N CB -0.085 38.439 38.487 0.062 0.000 1.129 616 N HN 0.421 nan 8.380 nan 0.000 0.444 617 M N -1.101 118.358 119.600 -0.236 0.000 2.937 617 M HA -0.228 4.252 4.480 -0.001 0.000 0.191 617 M C 1.218 177.031 176.300 -0.811 0.000 0.626 617 M CA 1.268 56.275 55.300 -0.488 0.000 0.728 617 M CB -1.471 30.780 32.600 -0.582 0.000 2.616 617 M HN 0.716 nan 8.290 nan 0.000 0.285 618 G N -0.647 107.784 108.800 -0.615 0.000 2.598 618 G HA2 0.351 4.311 3.960 -0.001 0.000 0.215 618 G HA3 0.351 4.311 3.960 -0.001 0.000 0.215 618 G C 1.225 176.093 174.900 -0.053 0.000 1.131 618 G CA 0.852 45.697 45.100 -0.425 0.000 0.785 618 G HN 1.285 nan 8.290 nan 0.000 0.539 619 G N -0.444 108.359 108.800 0.005 0.000 2.159 619 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.170 619 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.170 619 G C 0.990 175.947 174.900 0.095 0.000 1.007 619 G CA 0.509 45.672 45.100 0.105 0.000 0.672 619 G HN 0.443 nan 8.290 nan 0.000 0.507 620 K N 0.462 120.909 120.400 0.078 0.000 2.057 620 K HA -0.010 4.309 4.320 -0.001 0.000 0.207 620 K C 2.633 179.328 176.600 0.158 0.000 1.049 620 K CA 1.672 58.031 56.287 0.119 0.000 0.931 620 K CB -0.193 32.362 32.500 0.090 0.000 0.714 620 K HN 0.311 nan 8.250 nan 0.000 0.440 621 S N 0.215 115.984 115.700 0.115 0.000 2.345 621 S HA -0.110 4.360 4.470 -0.001 0.000 0.220 621 S C 1.972 176.660 174.600 0.146 0.000 1.031 621 S CA 1.640 59.907 58.200 0.111 0.000 0.996 621 S CB -0.326 62.919 63.200 0.076 0.000 0.882 621 S HN 0.343 nan 8.310 nan 0.000 0.445 622 T N 1.201 115.844 114.554 0.148 0.000 2.653 622 T HA -0.216 4.133 4.350 -0.001 0.000 0.268 622 T C 1.530 176.420 174.700 0.318 0.000 1.035 622 T CA 1.890 64.122 62.100 0.221 0.000 1.154 622 T CB -0.599 68.383 68.868 0.190 0.000 0.862 622 T HN 0.448 nan 8.240 nan 0.000 0.441 623 Y N 1.620 122.004 120.300 0.139 0.000 2.097 623 Y HA -0.155 4.394 4.550 -0.001 0.000 0.282 623 Y C 2.419 178.376 175.900 0.095 0.000 1.152 623 Y CA 1.221 59.392 58.100 0.118 0.000 1.136 623 Y CB -0.558 37.948 38.460 0.078 0.000 0.975 623 Y HN 0.157 nan 8.280 nan 0.000 0.498 624 M N -0.446 119.195 119.600 0.069 0.000 2.080 624 M HA -0.271 4.209 4.480 -0.001 0.000 0.260 624 M C 2.271 178.545 176.300 -0.043 0.000 1.068 624 M CA 1.927 57.202 55.300 -0.042 0.000 1.109 624 M CB -0.481 32.141 32.600 0.037 0.000 1.342 624 M HN 0.222 nan 8.290 nan 0.000 0.405 625 R N 0.658 121.189 120.500 0.051 0.000 2.070 625 R HA -0.189 4.150 4.340 -0.001 0.000 0.233 625 R C 2.250 178.520 176.300 -0.050 0.000 1.137 625 R CA 1.915 58.049 56.100 0.057 0.000 0.945 625 R CB -0.787 29.634 30.300 0.202 0.000 0.845 625 R HN 0.618 nan 8.270 nan 0.000 0.430 626 Q N 0.272 120.063 119.800 -0.016 0.000 2.234 626 Q HA -0.115 4.225 4.340 -0.001 0.000 0.206 626 Q C 1.370 177.261 176.000 -0.182 0.000 0.980 626 Q CA 1.829 57.517 55.803 -0.191 0.000 0.869 626 Q CB -0.384 28.351 28.738 -0.004 0.000 0.912 626 Q HN 0.139 nan 8.270 nan 0.000 0.436 627 T N 1.256 115.698 114.554 -0.186 0.000 2.737 627 T HA -0.074 4.276 4.350 -0.001 0.000 0.265 627 T C 2.016 176.631 174.700 -0.142 0.000 1.038 627 T CA 1.520 63.501 62.100 -0.199 0.000 1.144 627 T CB -0.381 68.330 68.868 -0.262 0.000 0.866 627 T HN 0.549 nan 8.240 nan 0.000 0.434 628 A N 0.988 123.734 122.820 -0.123 0.000 1.898 628 A HA 0.059 4.378 4.320 -0.001 0.000 0.216 628 A C 2.312 179.832 177.584 -0.107 0.000 1.181 628 A CA 1.112 53.091 52.037 -0.097 0.000 0.620 628 A CB -0.800 18.155 19.000 -0.076 0.000 0.819 628 A HN 0.456 nan 8.150 nan 0.000 0.442 629 L N -0.683 120.449 121.223 -0.152 0.000 2.056 629 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 629 L C 2.463 179.238 176.870 -0.159 0.000 1.078 629 L CA 1.117 55.850 54.840 -0.178 0.000 0.749 629 L CB -0.452 41.425 42.059 -0.303 0.000 0.901 629 L HN 0.359 nan 8.230 nan 0.000 0.433 630 I N -0.158 120.309 120.570 -0.171 0.000 2.264 630 I HA -0.322 3.847 4.170 -0.001 0.000 0.248 630 I C 2.754 178.832 176.117 -0.065 0.000 1.111 630 I CA 1.212 62.426 61.300 -0.143 0.000 1.382 630 I CB -0.365 37.551 38.000 -0.139 0.000 1.060 630 I HN 0.231 nan 8.210 nan 0.000 0.418 631 A N 0.690 123.485 122.820 -0.042 0.000 1.873 631 A HA -0.208 4.111 4.320 -0.001 0.000 0.215 631 A C 2.347 179.992 177.584 0.101 0.000 1.186 631 A CA 1.544 53.603 52.037 0.037 0.000 0.616 631 A CB -0.854 18.134 19.000 -0.020 0.000 0.823 631 A HN 0.472 nan 8.150 nan 0.000 0.442 632 L N -1.047 120.188 121.223 0.021 0.000 2.046 632 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 632 L C 2.589 179.507 176.870 0.079 0.000 1.077 632 L CA 2.015 56.879 54.840 0.040 0.000 0.747 632 L CB -0.258 41.787 42.059 -0.023 0.000 0.896 632 L HN 0.435 nan 8.230 nan 0.000 0.432 633 M N -0.281 119.335 119.600 0.028 0.000 2.086 633 M HA -0.203 4.276 4.480 -0.001 0.000 0.261 633 M C 2.468 178.814 176.300 0.077 0.000 1.067 633 M CA 1.879 57.198 55.300 0.032 0.000 1.116 633 M CB -0.600 31.976 32.600 -0.040 0.000 1.348 633 M HN 0.483 nan 8.290 nan 0.000 0.407 634 A N -0.613 122.255 122.820 0.079 0.000 1.958 634 A HA -0.226 4.094 4.320 -0.001 0.000 0.221 634 A C 1.637 179.311 177.584 0.150 0.000 1.178 634 A CA 1.738 53.830 52.037 0.091 0.000 0.642 634 A CB -1.099 17.949 19.000 0.080 0.000 0.816 634 A HN 0.605 nan 8.150 nan 0.000 0.453 635 Y N -0.625 119.745 120.300 0.116 0.000 2.461 635 Y HA 0.274 4.824 4.550 -0.001 0.000 0.277 635 Y C 1.513 177.400 175.900 -0.022 0.000 1.182 635 Y CA 0.310 58.450 58.100 0.067 0.000 1.276 635 Y CB 0.175 38.656 38.460 0.035 0.000 1.087 635 Y HN 0.509 nan 8.280 nan 0.000 0.519 636 I N -4.465 116.144 120.570 0.066 0.000 3.941 636 I HA 0.522 4.691 4.170 -0.001 0.000 0.335 636 I C 1.426 177.491 176.117 -0.085 0.000 1.402 636 I CA 0.595 61.868 61.300 -0.045 0.000 1.112 636 I CB 0.196 38.214 38.000 0.031 0.000 1.043 636 I HN 0.094 nan 8.210 nan 0.000 0.395 637 G N 1.220 110.009 108.800 -0.018 0.000 2.217 637 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.246 637 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.246 637 G C 0.486 175.471 174.900 0.141 0.000 0.990 637 G CA 0.314 45.431 45.100 0.028 0.000 0.627 637 G HN 0.625 nan 8.290 nan 0.000 0.522 638 S N -0.656 115.137 115.700 0.154 0.000 2.596 638 S HA 0.560 5.029 4.470 -0.001 0.000 0.260 638 S C 0.791 175.581 174.600 0.316 0.000 1.336 638 S CA -0.352 57.984 58.200 0.226 0.000 0.993 638 S CB 0.319 63.630 63.200 0.184 0.000 0.923 638 S HN 0.312 nan 8.310 nan 0.000 0.567 639 Y N 0.330 120.693 120.300 0.106 0.000 2.260 639 Y HA 0.440 4.990 4.550 -0.001 0.000 0.339 639 Y C 0.396 176.294 175.900 -0.004 0.000 1.317 639 Y CA -0.807 57.349 58.100 0.094 0.000 1.514 639 Y CB 0.725 39.301 38.460 0.194 0.000 1.382 639 Y HN 0.286 nan 8.280 nan 0.000 0.581 640 V N 2.082 122.012 119.914 0.027 0.000 2.709 640 V HA 0.217 4.337 4.120 -0.001 0.000 0.308 640 V C -2.349 173.526 176.094 -0.364 0.000 1.062 640 V CA -1.979 60.178 62.300 -0.237 0.000 0.901 640 V CB 2.144 33.863 31.823 -0.172 0.000 1.003 640 V HN 0.521 nan 8.190 nan 0.000 0.425 641 P HA 0.347 nan 4.420 nan 0.000 0.241 641 P C -0.464 176.762 177.300 -0.123 0.000 1.760 641 P CA 0.508 63.364 63.100 -0.407 0.000 1.081 641 P CB 0.505 31.916 31.700 -0.481 0.000 1.975 642 A N 1.948 124.743 122.820 -0.042 0.000 2.594 642 A HA 0.407 4.726 4.320 -0.001 0.000 0.307 642 A C 0.733 178.326 177.584 0.015 0.000 1.203 642 A CA -0.318 51.714 52.037 -0.009 0.000 0.644 642 A CB 0.710 19.685 19.000 -0.042 0.000 1.349 642 A HN 0.229 nan 8.150 nan 0.000 0.510 643 Q N -0.807 118.996 119.800 0.006 0.000 2.388 643 Q HA 0.282 4.622 4.340 -0.001 0.000 0.204 643 Q C -0.538 175.445 176.000 -0.028 0.000 0.946 643 Q CA 0.809 56.613 55.803 0.003 0.000 0.880 643 Q CB 0.255 29.000 28.738 0.012 0.000 0.997 643 Q HN 0.544 nan 8.270 nan 0.000 0.552 644 K N 0.534 120.911 120.400 -0.037 0.000 2.541 644 K HA 0.471 4.790 4.320 -0.001 0.000 0.250 644 K C -1.810 174.745 176.600 -0.074 0.000 0.950 644 K CA -0.383 55.866 56.287 -0.064 0.000 0.805 644 K CB 2.927 35.397 32.500 -0.049 0.000 1.166 644 K HN -0.095 nan 8.250 nan 0.000 0.430 645 V N 2.443 122.289 119.914 -0.114 0.000 2.540 645 V HA 0.369 4.489 4.120 -0.001 0.000 0.302 645 V C -0.735 175.263 176.094 -0.160 0.000 1.035 645 V CA -0.648 61.580 62.300 -0.121 0.000 0.873 645 V CB 1.800 33.543 31.823 -0.134 0.000 0.992 645 V HN 0.726 nan 8.190 nan 0.000 0.428 646 E N 4.019 124.147 120.200 -0.118 0.000 2.244 646 E HA 0.626 4.975 4.350 -0.001 0.000 0.260 646 E C -1.612 174.949 176.600 -0.065 0.000 0.884 646 E CA -0.468 55.861 56.400 -0.118 0.000 0.777 646 E CB 2.489 32.145 29.700 -0.073 0.000 1.197 646 E HN 0.641 nan 8.360 nan 0.000 0.416 647 I N 2.629 123.169 120.570 -0.051 0.000 2.619 647 I HA 0.522 4.691 4.170 -0.001 0.000 0.292 647 I C -0.090 176.163 176.117 0.227 0.000 1.100 647 I CA -0.467 60.882 61.300 0.082 0.000 1.043 647 I CB 1.615 39.694 38.000 0.132 0.000 1.239 647 I HN 0.585 nan 8.210 nan 0.000 0.420 648 G N 6.092 115.009 108.800 0.194 0.000 2.528 648 G HA2 0.530 4.489 3.960 -0.001 0.000 0.289 648 G HA3 0.530 4.489 3.960 -0.001 0.000 0.289 648 G C -2.748 172.330 174.900 0.296 0.000 1.192 648 G CA -1.359 43.875 45.100 0.223 0.000 0.921 648 G HN 0.410 nan 8.290 nan 0.000 0.512 649 P HA 0.122 nan 4.420 nan 0.000 0.262 649 P C -0.631 176.768 177.300 0.164 0.000 1.182 649 P CA 0.579 63.845 63.100 0.276 0.000 0.761 649 P CB 0.820 32.700 31.700 0.300 0.000 0.795 650 I N 2.890 123.378 120.570 -0.136 0.000 2.533 650 I HA 0.168 4.337 4.170 -0.001 0.000 0.290 650 I C 0.990 177.009 176.117 -0.164 0.000 1.056 650 I CA -0.493 60.714 61.300 -0.155 0.000 1.057 650 I CB 2.426 40.227 38.000 -0.332 0.000 1.240 650 I HN 0.312 nan 8.210 nan 0.000 0.423 651 D N 4.598 124.969 120.400 -0.049 0.000 2.379 651 D HA 0.109 4.748 4.640 -0.001 0.000 0.218 651 D C 0.501 176.752 176.300 -0.083 0.000 1.006 651 D CA 0.423 54.385 54.000 -0.063 0.000 0.893 651 D CB 0.514 41.302 40.800 -0.021 0.000 1.019 651 D HN 0.369 nan 8.370 nan 0.000 0.503 652 R N -0.661 119.796 120.500 -0.072 0.000 2.774 652 R HA 0.691 5.030 4.340 -0.001 0.000 0.272 652 R C -1.111 175.080 176.300 -0.181 0.000 1.000 652 R CA -0.736 55.253 56.100 -0.185 0.000 0.906 652 R CB 2.423 32.582 30.300 -0.236 0.000 1.227 652 R HN -0.085 nan 8.270 nan 0.000 0.468 653 I N 2.287 122.671 120.570 -0.311 0.000 2.468 653 I HA 0.318 4.487 4.170 -0.001 0.000 0.284 653 I C -1.096 174.858 176.117 -0.273 0.000 1.038 653 I CA -0.399 60.789 61.300 -0.186 0.000 1.083 653 I CB 1.140 39.058 38.000 -0.135 0.000 1.223 653 I HN 0.332 nan 8.210 nan 0.000 0.443 654 F N 3.533 123.447 119.950 -0.061 0.000 2.397 654 F HA 0.522 5.049 4.527 -0.001 0.000 0.331 654 F C 0.682 176.443 175.800 -0.066 0.000 1.090 654 F CA -0.263 57.699 58.000 -0.062 0.000 1.065 654 F CB 1.850 40.807 39.000 -0.071 0.000 1.184 654 F HN 0.189 nan 8.300 nan 0.000 0.499 655 T N 3.463 118.090 114.554 0.121 0.000 2.965 655 T HA 0.293 4.643 4.350 -0.001 0.000 0.306 655 T C -0.311 174.407 174.700 0.031 0.000 0.991 655 T CA -0.685 61.444 62.100 0.047 0.000 1.001 655 T CB 0.876 69.752 68.868 0.013 0.000 0.984 655 T HN 0.344 nan 8.240 nan 0.000 0.446 656 R N 3.612 124.108 120.500 -0.008 0.000 2.983 656 R HA 0.395 4.734 4.340 -0.001 0.000 0.300 656 R C -0.840 175.438 176.300 -0.037 0.000 1.367 656 R CA -0.206 55.871 56.100 -0.038 0.000 1.564 656 R CB 0.203 30.446 30.300 -0.096 0.000 1.314 656 R HN 0.428 nan 8.270 nan 0.000 0.622 657 V N 0.593 120.503 119.914 -0.007 0.000 2.539 657 V HA 0.431 4.551 4.120 -0.001 0.000 0.292 657 V C 1.446 177.553 176.094 0.021 0.000 1.045 657 V CA -0.719 61.587 62.300 0.011 0.000 0.945 657 V CB 1.638 33.475 31.823 0.023 0.000 0.993 657 V HN 0.578 nan 8.190 nan 0.000 0.464 658 G N 2.582 111.405 108.800 0.039 0.000 2.661 658 G HA2 0.458 4.418 3.960 -0.001 0.000 0.272 658 G HA3 0.458 4.418 3.960 -0.001 0.000 0.272 658 G C 0.251 175.178 174.900 0.044 0.000 1.296 658 G CA 0.273 45.404 45.100 0.051 0.000 0.998 658 G HN 2.195 nan 8.290 nan 0.000 0.553 659 A N -2.338 120.514 122.820 0.054 0.000 1.953 659 A HA 0.402 4.721 4.320 -0.001 0.000 0.445 659 A C 0.806 178.410 177.584 0.035 0.000 0.794 659 A CA 0.418 52.485 52.037 0.050 0.000 0.493 659 A CB -1.398 17.629 19.000 0.044 0.000 2.549 659 A HN 2.521 nan 8.150 nan 0.000 0.365 660 A N 2.275 125.123 122.820 0.047 0.000 2.933 660 A HA 0.595 4.915 4.320 -0.001 0.000 0.186 660 A C 0.752 178.353 177.584 0.027 0.000 2.018 660 A CA 1.385 53.436 52.037 0.023 0.000 0.978 660 A CB -0.176 18.872 19.000 0.080 0.000 1.847 660 A HN 1.348 nan 8.150 nan 0.000 0.825 671 M N -0.472 119.375 119.600 0.411 0.000 1.490 671 M HA -0.057 4.422 4.480 -0.001 0.000 0.241 671 M C 0.522 176.867 176.300 0.075 0.000 0.885 671 M CA 1.315 56.760 55.300 0.241 0.000 0.910 671 M CB -1.144 31.648 32.600 0.319 0.000 1.962 671 M HN 0.079 nan 8.290 nan 0.000 0.798 672 V N 1.678 121.546 119.914 -0.076 0.000 2.218 672 V HA -0.315 3.804 4.120 -0.001 0.000 0.251 672 V C 2.172 178.227 176.094 -0.065 0.000 1.057 672 V CA 2.624 64.821 62.300 -0.173 0.000 1.022 672 V CB -2.276 29.363 31.823 -0.308 0.000 0.645 672 V HN 0.749 nan 8.190 nan 0.000 0.451 673 E N 0.620 120.804 120.200 -0.028 0.000 2.147 673 E HA -0.284 4.065 4.350 -0.001 0.000 0.199 673 E C 2.162 178.754 176.600 -0.014 0.000 1.005 673 E CA 2.113 58.505 56.400 -0.013 0.000 0.810 673 E CB -0.614 29.095 29.700 0.015 0.000 0.736 673 E HN 0.607 nan 8.360 nan 0.000 0.460 674 M N 0.937 120.539 119.600 0.003 0.000 2.175 674 M HA -0.067 4.412 4.480 -0.001 0.000 0.264 674 M C 2.177 178.469 176.300 -0.013 0.000 1.063 674 M CA 1.715 57.014 55.300 -0.001 0.000 1.119 674 M CB -0.714 31.899 32.600 0.023 0.000 1.377 674 M HN 0.166 nan 8.290 nan 0.000 0.415 675 T N 0.004 114.553 114.554 -0.009 0.000 2.732 675 T HA -0.097 4.253 4.350 -0.001 0.000 0.261 675 T C 1.645 176.339 174.700 -0.010 0.000 1.040 675 T CA 1.129 63.227 62.100 -0.004 0.000 1.145 675 T CB -0.344 68.519 68.868 -0.009 0.000 0.866 675 T HN 0.440 nan 8.240 nan 0.000 0.427 676 E N 0.800 120.987 120.200 -0.021 0.000 2.171 676 E HA -0.137 4.213 4.350 -0.001 0.000 0.197 676 E C 2.327 178.905 176.600 -0.036 0.000 0.997 676 E CA 1.399 57.792 56.400 -0.012 0.000 0.810 676 E CB -0.299 29.391 29.700 -0.017 0.000 0.738 676 E HN 0.407 nan 8.360 nan 0.000 0.467 677 T N 0.621 115.135 114.554 -0.067 0.000 2.737 677 T HA -0.125 4.224 4.350 -0.001 0.000 0.265 677 T C 2.001 176.613 174.700 -0.147 0.000 1.038 677 T CA 1.163 63.192 62.100 -0.118 0.000 1.144 677 T CB -0.219 68.585 68.868 -0.107 0.000 0.866 677 T HN 0.273 nan 8.240 nan 0.000 0.434 678 A N 2.166 124.920 122.820 -0.109 0.000 1.883 678 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 678 A C 2.106 179.610 177.584 -0.134 0.000 1.186 678 A CA 2.312 54.253 52.037 -0.160 0.000 0.624 678 A CB -1.091 17.894 19.000 -0.025 0.000 0.822 678 A HN 0.588 nan 8.150 nan 0.000 0.444 679 N N 0.090 118.798 118.700 0.014 0.000 2.094 679 N HA -0.177 4.562 4.740 -0.001 0.000 0.191 679 N C 1.464 176.959 175.510 -0.024 0.000 1.023 679 N CA 2.213 55.316 53.050 0.087 0.000 0.857 679 N CB -0.425 38.126 38.487 0.105 0.000 1.013 679 N HN 0.556 nan 8.380 nan 0.000 0.426 680 I N 0.059 120.501 120.570 -0.213 0.000 2.142 680 I HA -0.264 3.905 4.170 -0.001 0.000 0.240 680 I C 2.091 177.927 176.117 -0.468 0.000 1.078 680 I CA 0.943 61.879 61.300 -0.608 0.000 1.343 680 I CB -0.349 37.311 38.000 -0.567 0.000 1.046 680 I HN 0.219 nan 8.210 nan 0.000 0.405 681 L N -0.217 120.794 121.223 -0.354 0.000 2.079 681 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 681 L C 2.736 179.457 176.870 -0.249 0.000 1.081 681 L CA 1.244 55.892 54.840 -0.319 0.000 0.752 681 L CB -1.014 40.831 42.059 -0.356 0.000 0.896 681 L HN 0.393 nan 8.230 nan 0.000 0.433 682 H N -0.037 118.971 119.070 -0.102 0.000 2.307 682 H HA -0.010 4.546 4.556 -0.001 0.000 0.303 682 H C 1.678 176.982 175.328 -0.040 0.000 1.073 682 H CA 1.265 57.281 56.048 -0.054 0.000 1.338 682 H CB -0.111 29.634 29.762 -0.028 0.000 1.389 682 H HN 0.356 nan 8.280 nan 0.000 0.503 683 N N 0.699 119.460 118.700 0.102 0.000 2.280 683 N HA 0.119 4.858 4.740 -0.001 0.000 0.192 683 N C 0.283 175.866 175.510 0.122 0.000 1.109 683 N CA 0.084 53.214 53.050 0.133 0.000 0.855 683 N CB 0.735 39.364 38.487 0.237 0.000 0.974 683 N HN 0.112 nan 8.380 nan 0.000 0.482 684 A N 1.243 124.021 122.820 -0.072 0.000 2.362 684 A HA 0.428 4.747 4.320 -0.001 0.000 0.276 684 A C 0.815 178.406 177.584 0.011 0.000 1.153 684 A CA -0.258 51.730 52.037 -0.081 0.000 0.813 684 A CB 0.160 18.942 19.000 -0.363 0.000 1.081 684 A HN 0.216 nan 8.150 nan 0.000 0.507 685 T N -0.682 113.925 114.554 0.089 0.000 2.949 685 T HA 0.437 4.786 4.350 -0.001 0.000 0.287 685 T C 0.777 175.530 174.700 0.089 0.000 1.034 685 T CA 0.000 62.158 62.100 0.096 0.000 1.018 685 T CB 1.163 70.122 68.868 0.152 0.000 1.135 685 T HN 0.720 nan 8.240 nan 0.000 0.532 686 E N -0.342 119.897 120.200 0.064 0.000 2.515 686 E HA -0.132 4.217 4.350 -0.001 0.000 0.201 686 E C 0.362 176.853 176.600 -0.183 0.000 1.071 686 E CA 0.871 57.230 56.400 -0.068 0.000 0.880 686 E CB -0.510 29.109 29.700 -0.135 0.000 0.828 686 E HN 0.806 nan 8.360 nan 0.000 0.540 687 Y N 1.220 121.520 120.300 -0.000 0.000 2.478 687 Y HA 0.181 4.731 4.550 -0.001 0.000 0.261 687 Y C 1.006 176.898 175.900 -0.014 0.000 1.127 687 Y CA -0.190 57.904 58.100 -0.011 0.000 1.288 687 Y CB 0.744 39.194 38.460 -0.016 0.000 1.084 687 Y HN -0.075 nan 8.280 nan 0.000 0.530 688 S N 1.088 116.868 115.700 0.134 0.000 2.617 688 S HA 0.339 4.809 4.470 -0.001 0.000 0.269 688 S C -0.803 173.844 174.600 0.080 0.000 1.292 688 S CA -0.553 57.727 58.200 0.133 0.000 1.010 688 S CB 1.378 64.742 63.200 0.272 0.000 0.944 688 S HN 0.127 nan 8.310 nan 0.000 0.536 689 L N 2.738 124.011 121.223 0.083 0.000 2.322 689 L HA 0.699 5.039 4.340 -0.001 0.000 0.281 689 L C -1.214 175.726 176.870 0.116 0.000 1.014 689 L CA -0.417 54.451 54.840 0.046 0.000 0.815 689 L CB 1.330 43.383 42.059 -0.010 0.000 1.247 689 L HN 0.437 nan 8.230 nan 0.000 0.421 690 V N 6.331 126.278 119.914 0.055 0.000 2.531 690 V HA 0.504 4.623 4.120 -0.001 0.000 0.301 690 V C -0.469 175.618 176.094 -0.012 0.000 1.034 690 V CA -0.558 61.769 62.300 0.046 0.000 0.865 690 V CB 1.644 33.425 31.823 -0.071 0.000 0.995 690 V HN 0.622 nan 8.190 nan 0.000 0.424 691 L N 5.627 126.847 121.223 -0.006 0.000 2.349 691 L HA 0.717 5.056 4.340 -0.001 0.000 0.278 691 L C -0.575 176.253 176.870 -0.070 0.000 0.996 691 L CA -0.407 54.414 54.840 -0.031 0.000 0.825 691 L CB 1.689 43.741 42.059 -0.012 0.000 1.243 691 L HN 0.498 nan 8.230 nan 0.000 0.412 692 M N 1.926 121.449 119.600 -0.128 0.000 2.395 692 M HA 0.376 4.855 4.480 -0.001 0.000 0.307 692 M C -0.507 175.733 176.300 -0.101 0.000 1.091 692 M CA -0.614 54.548 55.300 -0.230 0.000 0.919 692 M CB 2.852 35.088 32.600 -0.606 0.000 1.662 692 M HN 0.459 nan 8.290 nan 0.000 0.440 693 D N 1.176 121.549 120.400 -0.045 0.000 2.799 693 D HA 0.137 4.776 4.640 -0.001 0.000 0.267 693 D C -0.387 175.973 176.300 0.101 0.000 1.468 693 D CA 0.857 54.891 54.000 0.056 0.000 1.077 693 D CB 0.588 41.423 40.800 0.058 0.000 1.065 693 D HN 0.623 nan 8.370 nan 0.000 0.359 694 E N 0.477 120.718 120.200 0.067 0.000 2.155 694 E HA 0.186 4.535 4.350 -0.001 0.000 0.264 694 E C 0.747 177.352 176.600 0.008 0.000 0.886 694 E CA -0.272 56.186 56.400 0.098 0.000 0.752 694 E CB 1.332 31.116 29.700 0.139 0.000 1.133 694 E HN 0.086 nan 8.360 nan 0.000 0.414 695 I N 1.968 122.521 120.570 -0.028 0.000 2.916 695 I HA 0.227 4.396 4.170 -0.001 0.000 0.267 695 I C 0.666 176.773 176.117 -0.017 0.000 1.263 695 I CA 0.628 61.882 61.300 -0.076 0.000 1.471 695 I CB -0.257 37.688 38.000 -0.093 0.000 1.089 695 I HN 0.474 nan 8.210 nan 0.000 0.468 696 G N 0.480 109.294 108.800 0.023 0.000 2.462 696 G HA2 0.082 4.042 3.960 -0.001 0.000 0.424 696 G HA3 0.082 4.042 3.960 -0.001 0.000 0.424 696 G C -0.732 174.199 174.900 0.051 0.000 1.573 696 G CA -1.168 43.955 45.100 0.038 0.000 0.913 696 G HN 0.325 nan 8.290 nan 0.000 0.672 697 R N 0.051 120.595 120.500 0.074 0.000 2.679 697 R HA 0.584 4.923 4.340 -0.001 0.000 0.269 697 R C 1.276 177.614 176.300 0.064 0.000 1.076 697 R CA 0.636 56.788 56.100 0.086 0.000 1.160 697 R CB 0.772 31.130 30.300 0.097 0.000 1.054 697 R HN 0.770 nan 8.270 nan 0.000 0.507 698 G N -1.083 107.757 108.800 0.066 0.000 2.671 698 G HA2 0.255 4.214 3.960 -0.001 0.000 0.275 698 G HA3 0.255 4.214 3.960 -0.001 0.000 0.275 698 G C 0.303 175.233 174.900 0.050 0.000 1.368 698 G CA -0.225 44.906 45.100 0.052 0.000 1.044 698 G HN 0.616 nan 8.290 nan 0.000 0.543 699 T N -3.884 110.695 114.554 0.041 0.000 3.040 699 T HA 0.418 4.768 4.350 -0.001 0.000 0.266 699 T C 0.777 175.495 174.700 0.030 0.000 1.005 699 T CA 0.611 62.731 62.100 0.033 0.000 0.906 699 T CB 0.282 69.166 68.868 0.026 0.000 1.082 699 T HN 0.566 nan 8.240 nan 0.000 0.531 700 S N -0.295 115.427 115.700 0.035 0.000 2.851 700 S HA 0.516 4.985 4.470 -0.001 0.000 0.317 700 S C 1.127 175.737 174.600 0.017 0.000 1.144 700 S CA -0.013 58.206 58.200 0.032 0.000 0.862 700 S CB 1.177 64.405 63.200 0.047 0.000 1.259 700 S HN 0.184 nan 8.310 nan 0.000 0.564 701 T N 1.005 115.554 114.554 -0.007 0.000 2.668 701 T HA -0.017 4.332 4.350 -0.001 0.000 0.262 701 T C 0.813 175.349 174.700 -0.273 0.000 1.045 701 T CA 1.678 63.683 62.100 -0.159 0.000 1.152 701 T CB -0.517 68.214 68.868 -0.227 0.000 0.864 701 T HN 0.630 nan 8.240 nan 0.000 0.419 702 Y N 0.709 121.048 120.300 0.065 0.000 2.485 702 Y HA 0.270 4.820 4.550 -0.001 0.000 0.260 702 Y C 1.735 177.651 175.900 0.027 0.000 1.173 702 Y CA -0.989 57.144 58.100 0.054 0.000 1.252 702 Y CB -0.170 38.300 38.460 0.017 0.000 1.123 702 Y HN 0.134 nan 8.280 nan 0.000 0.524 703 D N 0.460 120.933 120.400 0.122 0.000 2.137 703 D HA -0.190 4.449 4.640 -0.001 0.000 0.193 703 D C 2.458 178.790 176.300 0.053 0.000 0.993 703 D CA 2.158 56.205 54.000 0.078 0.000 0.846 703 D CB -0.422 40.413 40.800 0.058 0.000 0.990 703 D HN 0.328 nan 8.370 nan 0.000 0.448 704 G N -0.358 108.462 108.800 0.033 0.000 2.464 704 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.217 704 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.217 704 G C 1.584 176.449 174.900 -0.059 0.000 1.138 704 G CA 0.657 45.758 45.100 0.001 0.000 0.793 704 G HN 0.343 nan 8.290 nan 0.000 0.539 705 L N 1.275 122.438 121.223 -0.099 0.000 2.083 705 L HA -0.000 4.339 4.340 -0.001 0.000 0.209 705 L C 2.728 179.609 176.870 0.019 0.000 1.083 705 L CA 2.144 56.882 54.840 -0.171 0.000 0.752 705 L CB -0.510 41.518 42.059 -0.052 0.000 0.899 705 L HN 0.132 nan 8.230 nan 0.000 0.433 706 S N -0.547 115.189 115.700 0.060 0.000 2.419 706 S HA -0.132 4.337 4.470 -0.001 0.000 0.233 706 S C 1.908 176.576 174.600 0.113 0.000 1.016 706 S CA 1.378 59.620 58.200 0.071 0.000 0.974 706 S CB -0.390 62.830 63.200 0.033 0.000 0.786 706 S HN 0.458 nan 8.310 nan 0.000 0.492 707 L N 1.005 122.275 121.223 0.077 0.000 1.988 707 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 707 L C 2.782 179.721 176.870 0.115 0.000 1.071 707 L CA 1.220 56.106 54.840 0.077 0.000 0.744 707 L CB -0.740 41.342 42.059 0.038 0.000 0.893 707 L HN 0.344 nan 8.230 nan 0.000 0.433 708 A N -0.150 122.740 122.820 0.116 0.000 1.915 708 A HA -0.326 3.994 4.320 -0.001 0.000 0.220 708 A C 2.141 179.866 177.584 0.234 0.000 1.198 708 A CA 2.180 54.347 52.037 0.217 0.000 0.647 708 A CB -1.391 17.701 19.000 0.154 0.000 0.825 708 A HN 0.760 nan 8.150 nan 0.000 0.456 709 W N 0.503 121.811 121.300 0.014 0.000 2.332 709 W HA -0.206 4.454 4.660 -0.001 0.000 0.321 709 W C 2.449 178.979 176.519 0.018 0.000 1.219 709 W CA 2.566 59.912 57.345 0.002 0.000 1.277 709 W CB -0.740 28.715 29.460 -0.008 0.000 1.161 709 W HN 0.439 nan 8.180 nan 0.000 0.476 710 A N 0.135 123.161 122.820 0.344 0.000 1.940 710 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 710 A C 2.177 179.796 177.584 0.059 0.000 1.176 710 A CA 2.030 54.190 52.037 0.205 0.000 0.631 710 A CB -1.424 17.674 19.000 0.164 0.000 0.814 710 A HN 0.401 nan 8.150 nan 0.000 0.446 711 C N -1.276 118.055 119.300 0.052 0.000 2.476 711 C HA 0.137 4.596 4.460 -0.001 0.000 0.278 711 C C 3.323 178.301 174.990 -0.020 0.000 1.274 711 C CA 0.571 59.586 59.018 -0.006 0.000 1.713 711 C CB -1.313 26.419 27.740 -0.015 0.000 2.039 711 C HN 0.719 nan 8.230 nan 0.000 0.484 712 A N 0.701 123.540 122.820 0.031 0.000 1.892 712 A HA -0.294 4.025 4.320 -0.001 0.000 0.218 712 A C 2.073 179.586 177.584 -0.118 0.000 1.188 712 A CA 2.266 54.301 52.037 -0.003 0.000 0.631 712 A CB -0.832 18.136 19.000 -0.053 0.000 0.822 712 A HN 0.733 nan 8.150 nan 0.000 0.447 713 E N -0.232 119.855 120.200 -0.188 0.000 2.070 713 E HA -0.263 4.086 4.350 -0.001 0.000 0.197 713 E C 2.100 178.645 176.600 -0.091 0.000 1.004 713 E CA 1.488 57.786 56.400 -0.170 0.000 0.805 713 E CB -0.245 29.371 29.700 -0.140 0.000 0.744 713 E HN 0.666 nan 8.360 nan 0.000 0.451 714 N N 0.288 118.948 118.700 -0.067 0.000 2.106 714 N HA -0.144 4.596 4.740 -0.001 0.000 0.188 714 N C 2.127 177.591 175.510 -0.076 0.000 1.029 714 N CA 1.027 54.040 53.050 -0.062 0.000 0.848 714 N CB -0.121 38.328 38.487 -0.063 0.000 1.007 714 N HN 0.244 nan 8.380 nan 0.000 0.423 715 L N 0.680 121.849 121.223 -0.090 0.000 2.079 715 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 715 L C 2.510 179.333 176.870 -0.080 0.000 1.081 715 L CA 1.377 56.159 54.840 -0.096 0.000 0.752 715 L CB -0.333 41.663 42.059 -0.104 0.000 0.896 715 L HN 0.187 nan 8.230 nan 0.000 0.433 716 A N -0.349 122.424 122.820 -0.079 0.000 1.878 716 A HA -0.111 4.208 4.320 -0.001 0.000 0.213 716 A C 2.033 179.577 177.584 -0.066 0.000 1.192 716 A CA 1.294 53.285 52.037 -0.076 0.000 0.619 716 A CB -0.363 18.580 19.000 -0.095 0.000 0.837 716 A HN 0.351 nan 8.150 nan 0.000 0.446 717 N N -0.259 118.403 118.700 -0.063 0.000 2.132 717 N HA -0.074 4.665 4.740 -0.001 0.000 0.187 717 N C 1.735 177.222 175.510 -0.038 0.000 1.038 717 N CA 1.573 54.595 53.050 -0.046 0.000 0.846 717 N CB -0.255 38.210 38.487 -0.038 0.000 1.012 717 N HN 0.529 nan 8.380 nan 0.000 0.429 718 K N 0.752 121.129 120.400 -0.038 0.000 2.102 718 K HA 0.178 4.497 4.320 -0.001 0.000 0.206 718 K C 2.070 178.650 176.600 -0.033 0.000 1.031 718 K CA 0.273 56.542 56.287 -0.030 0.000 0.962 718 K CB -0.158 32.327 32.500 -0.026 0.000 0.811 718 K HN -0.008 nan 8.250 nan 0.000 0.453 719 I N 1.520 122.062 120.570 -0.047 0.000 2.226 719 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 719 I C 0.596 176.684 176.117 -0.047 0.000 1.100 719 I CA 1.221 62.491 61.300 -0.050 0.000 1.374 719 I CB -0.223 37.727 38.000 -0.082 0.000 1.057 719 I HN 0.309 nan 8.210 nan 0.000 0.413 720 K N 0.428 120.793 120.400 -0.057 0.000 3.071 720 K HA -0.182 4.137 4.320 -0.001 0.000 0.265 720 K C 0.191 176.748 176.600 -0.072 0.000 1.060 720 K CA 0.173 56.422 56.287 -0.063 0.000 0.767 720 K CB -1.559 30.905 32.500 -0.060 0.000 1.241 720 K HN 0.470 nan 8.250 nan 0.000 0.486 721 A N 0.613 123.391 122.820 -0.069 0.000 2.366 721 A HA 0.388 4.707 4.320 -0.001 0.000 0.249 721 A C 0.503 178.050 177.584 -0.061 0.000 1.084 721 A CA -0.305 51.695 52.037 -0.062 0.000 0.794 721 A CB 0.343 19.300 19.000 -0.071 0.000 1.034 721 A HN 0.327 nan 8.150 nan 0.000 0.491 722 L N 1.966 123.159 121.223 -0.050 0.000 2.342 722 L HA 0.270 4.609 4.340 -0.001 0.000 0.285 722 L C 0.017 176.867 176.870 -0.034 0.000 1.095 722 L CA 0.030 54.843 54.840 -0.045 0.000 0.843 722 L CB 0.341 42.373 42.059 -0.045 0.000 1.201 722 L HN 0.683 nan 8.230 nan 0.000 0.445 723 T N 4.541 119.077 114.554 -0.030 0.000 2.855 723 T HA 0.569 4.919 4.350 -0.001 0.000 0.281 723 T C -0.102 174.602 174.700 0.008 0.000 1.007 723 T CA -0.497 61.590 62.100 -0.022 0.000 1.009 723 T CB 1.783 70.638 68.868 -0.022 0.000 0.983 723 T HN 0.313 nan 8.240 nan 0.000 0.455 724 L N 3.536 124.767 121.223 0.012 0.000 2.353 724 L HA 0.450 4.789 4.340 -0.001 0.000 0.270 724 L C -1.184 175.753 176.870 0.112 0.000 1.003 724 L CA -0.744 54.128 54.840 0.053 0.000 0.862 724 L CB 0.772 42.836 42.059 0.008 0.000 1.221 724 L HN 0.544 nan 8.230 nan 0.000 0.430 725 F N 3.581 123.517 119.950 -0.024 0.000 2.308 725 F HA 0.592 5.118 4.527 -0.001 0.000 0.370 725 F C 0.405 176.190 175.800 -0.025 0.000 1.100 725 F CA -1.337 56.643 58.000 -0.033 0.000 1.108 725 F CB 1.076 40.042 39.000 -0.056 0.000 1.293 725 F HN 0.407 nan 8.300 nan 0.000 0.478 726 A N 4.065 127.115 122.820 0.384 0.000 2.331 726 A HA 0.680 5.000 4.320 -0.001 0.000 0.283 726 A C -0.018 177.652 177.584 0.143 0.000 1.142 726 A CA -0.067 52.076 52.037 0.176 0.000 0.812 726 A CB 0.753 19.818 19.000 0.109 0.000 1.074 726 A HN 0.753 nan 8.150 nan 0.000 0.497 727 T N -0.260 114.246 114.554 -0.080 0.000 2.830 727 T HA 0.425 4.774 4.350 -0.001 0.000 0.322 727 T C -0.037 174.541 174.700 -0.203 0.000 1.501 727 T CA -0.574 61.442 62.100 -0.140 0.000 1.036 727 T CB 0.717 69.499 68.868 -0.144 0.000 1.379 727 T HN 0.672 nan 8.240 nan 0.000 0.493 728 H N 1.188 120.377 119.070 0.198 0.000 2.595 728 H HA 0.174 4.730 4.556 -0.001 0.000 0.265 728 H C -0.147 175.284 175.328 0.172 0.000 0.953 728 H CA 0.212 56.343 56.048 0.139 0.000 1.197 728 H CB 0.126 29.916 29.762 0.046 0.000 1.438 728 H HN 0.496 nan 8.280 nan 0.000 0.531 729 Y N 0.802 121.207 120.300 0.175 0.000 2.587 729 Y HA -0.039 4.511 4.550 -0.001 0.000 0.344 729 Y C 0.966 176.957 175.900 0.152 0.000 1.061 729 Y CA -0.248 57.956 58.100 0.174 0.000 1.370 729 Y CB 0.008 38.530 38.460 0.103 0.000 1.163 729 Y HN -0.023 nan 8.280 nan 0.000 0.527 730 F N 0.962 120.994 119.950 0.136 0.000 2.407 730 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 730 F C 1.706 177.580 175.800 0.124 0.000 1.097 730 F CA 0.669 58.723 58.000 0.091 0.000 1.422 730 F CB 0.141 39.168 39.000 0.045 0.000 1.067 730 F HN 0.541 nan 8.300 nan 0.000 0.539 731 E N 0.381 120.784 120.200 0.337 0.000 2.273 731 E HA -0.208 4.141 4.350 -0.001 0.000 0.198 731 E C 1.876 178.662 176.600 0.310 0.000 1.002 731 E CA 0.950 57.526 56.400 0.294 0.000 0.828 731 E CB -0.324 29.563 29.700 0.312 0.000 0.747 731 E HN 0.457 nan 8.360 nan 0.000 0.491 732 L N -0.066 121.272 121.223 0.192 0.000 2.477 732 L HA 0.026 4.365 4.340 -0.001 0.000 0.220 732 L C 2.139 178.967 176.870 -0.070 0.000 1.106 732 L CA 1.043 55.916 54.840 0.055 0.000 0.851 732 L CB -0.242 41.728 42.059 -0.149 0.000 0.994 732 L HN 0.222 nan 8.230 nan 0.000 0.462 733 T N -3.520 110.987 114.554 -0.079 0.000 3.160 733 T HA -0.177 4.172 4.350 -0.001 0.000 0.257 733 T C 1.541 176.233 174.700 -0.013 0.000 1.147 733 T CA 0.516 62.546 62.100 -0.116 0.000 1.064 733 T CB -0.041 68.693 68.868 -0.224 0.000 0.949 733 T HN 0.308 nan 8.240 nan 0.000 0.526 734 Q N -0.126 119.724 119.800 0.084 0.000 2.472 734 Q HA 0.160 4.499 4.340 -0.001 0.000 0.208 734 Q C 1.822 177.875 176.000 0.089 0.000 0.958 734 Q CA 0.253 56.143 55.803 0.144 0.000 0.932 734 Q CB -0.238 28.663 28.738 0.272 0.000 1.007 734 Q HN 0.605 nan 8.270 nan 0.000 0.508 735 L N 0.343 121.523 121.223 -0.073 0.000 2.109 735 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 735 L C -0.827 175.951 176.870 -0.154 0.000 1.086 735 L CA 0.735 55.416 54.840 -0.265 0.000 0.760 735 L CB -0.986 40.814 42.059 -0.432 0.000 0.910 735 L HN 0.155 nan 8.230 nan 0.000 0.437 736 P HA -0.176 nan 4.420 nan 0.000 0.220 736 P C 1.276 178.558 177.300 -0.031 0.000 1.148 736 P CA 1.183 64.246 63.100 -0.062 0.000 0.803 736 P CB 0.141 31.814 31.700 -0.044 0.000 0.782 737 E N -0.152 120.043 120.200 -0.007 0.000 2.047 737 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 737 E C 1.760 178.371 176.600 0.020 0.000 0.987 737 E CA 1.072 57.482 56.400 0.017 0.000 0.799 737 E CB -0.003 29.723 29.700 0.044 0.000 0.752 737 E HN 0.064 nan 8.360 nan 0.000 0.449 738 K N -0.427 119.989 120.400 0.027 0.000 2.098 738 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 738 K C 0.863 177.456 176.600 -0.010 0.000 1.051 738 K CA 0.497 56.810 56.287 0.043 0.000 0.957 738 K CB 0.114 32.692 32.500 0.130 0.000 0.738 738 K HN 0.197 nan 8.250 nan 0.000 0.447 739 M N 1.500 121.057 119.600 -0.071 0.000 2.314 739 M HA 0.162 4.642 4.480 -0.001 0.000 0.342 739 M C 0.267 176.529 176.300 -0.064 0.000 1.171 739 M CA -0.283 54.962 55.300 -0.092 0.000 1.098 739 M CB 1.313 33.811 32.600 -0.170 0.000 1.559 739 M HN -0.007 nan 8.290 nan 0.000 0.459 740 E N 0.838 121.007 120.200 -0.053 0.000 2.259 740 E HA 0.331 4.681 4.350 -0.001 0.000 0.281 740 E C 0.612 177.182 176.600 -0.049 0.000 1.037 740 E CA 0.485 56.861 56.400 -0.041 0.000 0.854 740 E CB 0.678 30.360 29.700 -0.031 0.000 1.051 740 E HN 0.924 nan 8.360 nan 0.000 0.409 741 G N 3.094 111.868 108.800 -0.042 0.000 2.160 741 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.244 741 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.244 741 G C -0.177 174.694 174.900 -0.049 0.000 1.022 741 G CA 0.298 45.373 45.100 -0.042 0.000 0.741 741 G HN 0.405 nan 8.290 nan 0.000 0.508 742 V N -0.089 119.791 119.914 -0.058 0.000 2.495 742 V HA 0.905 5.024 4.120 -0.001 0.000 0.298 742 V C 0.475 176.537 176.094 -0.054 0.000 1.031 742 V CA -0.096 62.164 62.300 -0.066 0.000 0.871 742 V CB 1.586 33.345 31.823 -0.106 0.000 0.988 742 V HN 1.233 nan 8.190 nan 0.000 0.432 743 A N 4.118 126.914 122.820 -0.041 0.000 2.437 743 A HA 0.822 5.141 4.320 -0.001 0.000 0.292 743 A C -0.749 176.818 177.584 -0.029 0.000 1.173 743 A CA -0.821 51.199 52.037 -0.028 0.000 0.785 743 A CB 1.633 20.625 19.000 -0.012 0.000 1.351 743 A HN 0.662 nan 8.150 nan 0.000 0.431 744 N N -0.407 118.283 118.700 -0.017 0.000 2.362 744 N HA 0.644 5.383 4.740 -0.001 0.000 0.298 744 N C -0.994 174.527 175.510 0.017 0.000 1.048 744 N CA -0.001 53.042 53.050 -0.012 0.000 0.858 744 N CB 1.951 40.428 38.487 -0.016 0.000 1.218 744 N HN 0.859 nan 8.380 nan 0.000 0.488 745 V N -0.652 119.277 119.914 0.025 0.000 3.181 745 V HA 0.726 4.845 4.120 -0.001 0.000 0.308 745 V C -0.946 175.189 176.094 0.067 0.000 1.214 745 V CA -0.807 61.497 62.300 0.007 0.000 1.053 745 V CB 2.525 34.341 31.823 -0.012 0.000 1.069 745 V HN 0.886 nan 8.190 nan 0.000 0.441 746 H N 0.501 119.545 119.070 -0.044 0.000 3.037 746 H HA 0.633 5.189 4.556 -0.001 0.000 0.336 746 H C -2.383 172.919 175.328 -0.042 0.000 1.323 746 H CA -1.002 55.030 56.048 -0.027 0.000 1.159 746 H CB 1.800 31.570 29.762 0.012 0.000 1.882 746 H HN 0.642 nan 8.280 nan 0.000 0.535 747 L N 2.200 123.475 121.223 0.087 0.000 2.264 747 L HA 0.176 4.515 4.340 -0.001 0.000 0.289 747 L C 0.616 177.571 176.870 0.141 0.000 1.044 747 L CA -0.073 54.776 54.840 0.014 0.000 0.807 747 L CB 0.880 42.941 42.059 0.004 0.000 1.192 747 L HN 0.560 nan 8.230 nan 0.000 0.425 748 D N 2.777 123.219 120.400 0.070 0.000 2.390 748 D HA 0.458 5.097 4.640 -0.001 0.000 0.249 748 D C -0.688 175.645 176.300 0.055 0.000 1.144 748 D CA 0.191 54.271 54.000 0.134 0.000 0.880 748 D CB 1.375 42.206 40.800 0.052 0.000 1.182 748 D HN 0.592 nan 8.370 nan 0.000 0.451 749 A N 3.927 126.766 122.820 0.031 0.000 2.475 749 A HA 0.687 5.006 4.320 -0.001 0.000 0.301 749 A C -1.265 176.237 177.584 -0.136 0.000 1.059 749 A CA -0.628 51.321 52.037 -0.146 0.000 0.710 749 A CB 1.403 20.182 19.000 -0.368 0.000 1.288 749 A HN 0.568 nan 8.150 nan 0.000 0.408 750 L N 1.000 122.132 121.223 -0.153 0.000 2.408 750 L HA 0.427 4.767 4.340 -0.001 0.000 0.268 750 L C -0.501 176.298 176.870 -0.118 0.000 0.986 750 L CA -0.425 54.389 54.840 -0.044 0.000 0.820 750 L CB 2.422 44.497 42.059 0.028 0.000 1.303 750 L HN 0.851 nan 8.230 nan 0.000 0.411 751 E N 3.133 123.304 120.200 -0.048 0.000 1.996 751 E HA 0.118 4.467 4.350 -0.001 0.000 0.280 751 E C -0.698 175.847 176.600 -0.092 0.000 1.092 751 E CA -0.392 55.928 56.400 -0.135 0.000 0.862 751 E CB 0.262 29.951 29.700 -0.019 0.000 1.066 751 E HN 0.381 nan 8.360 nan 0.000 0.396 752 H N 3.273 122.308 119.070 -0.058 0.000 2.982 752 H HA 0.235 4.790 4.556 -0.001 0.000 0.261 752 H C 1.123 176.429 175.328 -0.037 0.000 1.603 752 H CA 0.002 56.023 56.048 -0.045 0.000 1.398 752 H CB -0.064 29.665 29.762 -0.055 0.000 1.693 752 H HN 0.746 nan 8.280 nan 0.000 0.535 753 G N 3.985 112.781 108.800 -0.006 0.000 2.952 753 G HA2 -0.532 3.427 3.960 -0.001 0.000 0.346 753 G HA3 -0.532 3.427 3.960 -0.001 0.000 0.346 753 G C 0.940 175.807 174.900 -0.055 0.000 1.191 753 G CA 1.199 46.290 45.100 -0.016 0.000 0.961 753 G HN 0.585 nan 8.290 nan 0.000 0.588 754 D N 0.287 120.662 120.400 -0.040 0.000 2.347 754 D HA 0.322 4.961 4.640 -0.001 0.000 0.215 754 D C 1.290 177.537 176.300 -0.088 0.000 0.976 754 D CA 1.886 55.859 54.000 -0.044 0.000 0.884 754 D CB 0.218 41.011 40.800 -0.012 0.000 0.915 754 D HN 0.499 nan 8.370 nan 0.000 0.526 755 T N -1.489 112.952 114.554 -0.189 0.000 2.587 755 T HA 0.535 4.884 4.350 -0.001 0.000 0.282 755 T C -1.800 172.616 174.700 -0.473 0.000 1.018 755 T CA -0.723 61.222 62.100 -0.258 0.000 1.120 755 T CB 0.672 69.440 68.868 -0.167 0.000 1.538 755 T HN -0.072 nan 8.240 nan 0.000 0.480 756 I N 0.695 120.951 120.570 -0.523 0.000 2.710 756 I HA 0.679 4.849 4.170 -0.001 0.000 0.290 756 I C -1.594 174.100 176.117 -0.705 0.000 1.318 756 I CA -0.616 60.332 61.300 -0.587 0.000 1.045 756 I CB 1.603 39.365 38.000 -0.398 0.000 1.307 756 I HN 0.816 nan 8.210 nan 0.000 0.424 757 A N 5.948 128.377 122.820 -0.651 0.000 2.384 757 A HA 0.885 5.204 4.320 -0.001 0.000 0.312 757 A C -1.777 175.335 177.584 -0.786 0.000 1.113 757 A CA -0.369 51.267 52.037 -0.669 0.000 0.779 757 A CB 1.131 20.055 19.000 -0.127 0.000 1.307 757 A HN 0.497 nan 8.150 nan 0.000 0.436 758 F N 1.428 121.233 119.950 -0.241 0.000 2.444 758 F HA 0.410 4.937 4.527 -0.001 0.000 0.342 758 F C 1.120 176.577 175.800 -0.572 0.000 1.121 758 F CA -1.073 56.670 58.000 -0.428 0.000 0.997 758 F CB 1.590 40.275 39.000 -0.526 0.000 1.130 758 F HN 0.387 nan 8.300 nan 0.000 0.454 759 M N 1.524 120.990 119.600 -0.222 0.000 2.349 759 M HA -0.034 4.445 4.480 -0.001 0.000 0.266 759 M C 0.836 177.054 176.300 -0.138 0.000 1.076 759 M CA 0.877 56.081 55.300 -0.161 0.000 1.126 759 M CB -1.097 31.460 32.600 -0.072 0.000 1.392 759 M HN 0.677 nan 8.290 nan 0.000 0.440 760 H N -0.057 119.004 119.070 -0.015 0.000 2.958 760 H HA -0.103 4.453 4.556 -0.001 0.000 0.274 760 H C -0.098 175.146 175.328 -0.139 0.000 1.184 760 H CA 0.784 56.774 56.048 -0.097 0.000 1.143 760 H CB -2.375 27.288 29.762 -0.165 0.000 1.297 760 H HN 0.494 nan 8.280 nan 0.000 0.356 761 S N -0.995 114.675 115.700 -0.049 0.000 2.482 761 S HA 0.639 5.108 4.470 -0.001 0.000 0.303 761 S C 0.217 174.710 174.600 -0.178 0.000 1.091 761 S CA -0.830 57.311 58.200 -0.098 0.000 1.057 761 S CB 3.257 66.416 63.200 -0.068 0.000 1.031 761 S HN 0.102 nan 8.310 nan 0.000 0.485 762 V N 3.837 123.594 119.914 -0.261 0.000 2.432 762 V HA 0.380 4.500 4.120 -0.001 0.000 0.271 762 V C -0.088 175.831 176.094 -0.292 0.000 1.046 762 V CA -0.406 61.670 62.300 -0.374 0.000 0.945 762 V CB 0.766 32.212 31.823 -0.629 0.000 0.992 762 V HN 0.838 nan 8.190 nan 0.000 0.471 763 Q N 2.185 121.746 119.800 -0.398 0.000 2.301 763 Q HA 0.461 4.800 4.340 -0.001 0.000 0.267 763 Q C -0.654 175.134 176.000 -0.354 0.000 1.035 763 Q CA -0.756 54.819 55.803 -0.381 0.000 0.856 763 Q CB 2.099 30.544 28.738 -0.489 0.000 1.337 763 Q HN 0.645 nan 8.270 nan 0.000 0.450 764 D N 0.060 120.362 120.400 -0.163 0.000 2.360 764 D HA 0.417 5.056 4.640 -0.001 0.000 0.242 764 D C 0.443 176.763 176.300 0.034 0.000 1.184 764 D CA 0.797 54.762 54.000 -0.059 0.000 0.930 764 D CB 0.715 41.504 40.800 -0.017 0.000 1.161 764 D HN 0.679 nan 8.370 nan 0.000 0.447 765 G N -0.589 108.260 108.800 0.082 0.000 2.731 765 G HA2 0.164 4.124 3.960 -0.001 0.000 0.686 765 G HA3 0.164 4.124 3.960 -0.001 0.000 0.686 765 G C -0.155 174.909 174.900 0.274 0.000 1.395 765 G CA -0.332 44.853 45.100 0.141 0.000 0.870 765 G HN 0.652 nan 8.290 nan 0.000 0.591 766 A N 1.312 124.195 122.820 0.105 0.000 2.407 766 A HA 0.875 5.194 4.320 -0.001 0.000 0.248 766 A C 1.289 178.764 177.584 -0.181 0.000 1.082 766 A CA 1.088 53.119 52.037 -0.011 0.000 0.785 766 A CB 0.369 19.283 19.000 -0.142 0.000 1.020 766 A HN 2.643 nan 8.150 nan 0.000 0.489 767 A N 1.808 124.395 122.820 -0.389 0.000 2.555 767 A HA 0.350 4.669 4.320 -0.001 0.000 0.233 767 A C 1.478 178.972 177.584 -0.150 0.000 1.060 767 A CA 0.427 52.081 52.037 -0.638 0.000 0.759 767 A CB -0.281 18.647 19.000 -0.119 0.000 0.995 767 A HN 1.334 nan 8.150 nan 0.000 0.506 768 S N 1.174 116.761 115.700 -0.188 0.000 2.387 768 S HA -0.115 4.354 4.470 -0.001 0.000 0.230 768 S C 0.735 175.272 174.600 -0.105 0.000 1.035 768 S CA 1.883 60.035 58.200 -0.080 0.000 1.014 768 S CB -0.512 62.646 63.200 -0.069 0.000 0.836 768 S HN 0.935 nan 8.310 nan 0.000 0.466 769 K N 0.449 120.733 120.400 -0.194 0.000 2.597 769 K HA 0.435 4.754 4.320 -0.001 0.000 0.282 769 K C -1.196 175.191 176.600 -0.355 0.000 0.975 769 K CA -0.816 55.228 56.287 -0.405 0.000 0.867 769 K CB 1.237 33.417 32.500 -0.532 0.000 1.465 769 K HN 0.022 nan 8.250 nan 0.000 0.417 770 S N 0.619 116.074 115.700 -0.408 0.000 2.548 770 S HA 0.208 4.678 4.470 -0.001 0.000 0.277 770 S C -0.316 174.152 174.600 -0.221 0.000 1.315 770 S CA -0.522 57.629 58.200 -0.083 0.000 1.050 770 S CB -0.207 62.983 63.200 -0.016 0.000 0.918 770 S HN 0.585 nan 8.310 nan 0.000 0.497 771 Y N 2.646 122.960 120.300 0.023 0.000 2.775 771 Y HA 0.313 4.862 4.550 -0.001 0.000 0.349 771 Y C 1.984 177.876 175.900 -0.013 0.000 1.094 771 Y CA -0.410 57.693 58.100 0.005 0.000 1.467 771 Y CB -0.502 37.987 38.460 0.049 0.000 1.272 771 Y HN 0.931 nan 8.280 nan 0.000 0.515 772 G N 0.522 109.348 108.800 0.042 0.000 2.491 772 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 772 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 772 G C 1.553 176.449 174.900 -0.006 0.000 1.180 772 G CA 0.976 46.071 45.100 -0.008 0.000 0.774 772 G HN 0.458 nan 8.290 nan 0.000 0.562 773 L N 0.551 121.759 121.223 -0.024 0.000 2.093 773 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 773 L C 3.391 180.263 176.870 0.005 0.000 1.085 773 L CA 0.908 55.734 54.840 -0.023 0.000 0.755 773 L CB -0.403 41.629 42.059 -0.046 0.000 0.904 773 L HN 0.323 nan 8.230 nan 0.000 0.435 774 A N -0.386 122.458 122.820 0.041 0.000 1.930 774 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 774 A C 2.317 179.930 177.584 0.050 0.000 1.175 774 A CA 1.392 53.465 52.037 0.058 0.000 0.627 774 A CB -0.599 18.483 19.000 0.136 0.000 0.815 774 A HN 0.190 nan 8.150 nan 0.000 0.443 775 V N -0.227 119.729 119.914 0.070 0.000 2.379 775 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 775 V C 3.043 179.153 176.094 0.027 0.000 1.044 775 V CA 1.708 64.043 62.300 0.058 0.000 1.036 775 V CB -1.176 30.691 31.823 0.072 0.000 0.664 775 V HN 0.598 nan 8.190 nan 0.000 0.453 776 A N 0.310 123.138 122.820 0.012 0.000 1.865 776 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 776 A C 2.472 180.056 177.584 -0.001 0.000 1.191 776 A CA 2.405 54.442 52.037 -0.001 0.000 0.623 776 A CB -1.016 17.977 19.000 -0.012 0.000 0.826 776 A HN 0.575 nan 8.150 nan 0.000 0.444 777 A N -0.379 122.440 122.820 -0.002 0.000 1.884 777 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 777 A C 2.218 179.799 177.584 -0.005 0.000 1.197 777 A CA 2.004 54.038 52.037 -0.006 0.000 0.637 777 A CB -0.892 18.103 19.000 -0.008 0.000 0.827 777 A HN 0.911 nan 8.150 nan 0.000 0.450 778 L N -0.380 120.842 121.223 -0.003 0.000 2.043 778 L HA -0.137 4.203 4.340 -0.001 0.000 0.212 778 L C 2.572 179.444 176.870 0.003 0.000 1.075 778 L CA 2.312 57.149 54.840 -0.005 0.000 0.752 778 L CB -0.440 41.617 42.059 -0.002 0.000 0.891 778 L HN 0.351 nan 8.230 nan 0.000 0.432 779 A N -1.274 121.551 122.820 0.008 0.000 2.172 779 A HA 0.258 4.577 4.320 -0.001 0.000 0.216 779 A C 1.816 179.402 177.584 0.005 0.000 1.154 779 A CA 1.036 53.079 52.037 0.010 0.000 0.701 779 A CB -0.768 18.238 19.000 0.010 0.000 0.789 779 A HN 0.887 nan 8.150 nan 0.000 0.465 780 G N -2.485 106.316 108.800 0.001 0.000 2.205 780 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.180 780 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.180 780 G C 0.110 175.008 174.900 -0.003 0.000 1.004 780 G CA -0.149 44.950 45.100 -0.001 0.000 0.670 780 G HN 0.690 nan 8.290 nan 0.000 0.496 781 V N 3.509 123.420 119.914 -0.005 0.000 2.617 781 V HA 0.266 4.385 4.120 -0.001 0.000 0.304 781 V C -0.984 175.105 176.094 -0.008 0.000 1.040 781 V CA -0.497 61.798 62.300 -0.007 0.000 1.149 781 V CB 0.574 32.391 31.823 -0.010 0.000 0.914 781 V HN 0.298 nan 8.190 nan 0.000 0.487 782 P HA 0.055 nan 4.420 nan 0.000 0.264 782 P C 0.526 177.820 177.300 -0.010 0.000 1.183 782 P CA -0.182 62.913 63.100 -0.008 0.000 0.763 782 P CB 0.595 32.291 31.700 -0.008 0.000 0.807 783 K N 3.128 123.522 120.400 -0.010 0.000 2.020 783 K HA -0.229 4.090 4.320 -0.001 0.000 0.212 783 K C 1.750 178.342 176.600 -0.012 0.000 1.050 783 K CA 1.825 58.105 56.287 -0.011 0.000 0.929 783 K CB -0.832 31.661 32.500 -0.010 0.000 0.714 783 K HN 0.540 nan 8.250 nan 0.000 0.443 784 E N 0.854 121.048 120.200 -0.011 0.000 2.332 784 E HA -0.269 4.080 4.350 -0.001 0.000 0.243 784 E C 1.789 178.382 176.600 -0.012 0.000 1.088 784 E CA 3.019 59.412 56.400 -0.011 0.000 1.048 784 E CB -0.396 29.299 29.700 -0.009 0.000 0.911 784 E HN 0.100 nan 8.360 nan 0.000 0.487 785 V N 0.309 120.216 119.914 -0.013 0.000 2.535 785 V HA -0.133 3.986 4.120 -0.001 0.000 0.246 785 V C 2.389 178.472 176.094 -0.018 0.000 1.045 785 V CA 1.271 63.562 62.300 -0.015 0.000 1.058 785 V CB -0.431 31.384 31.823 -0.014 0.000 0.689 785 V HN 0.355 nan 8.190 nan 0.000 0.461 786 I N 0.663 121.222 120.570 -0.018 0.000 2.145 786 I HA -0.332 3.837 4.170 -0.001 0.000 0.244 786 I C 2.507 178.610 176.117 -0.024 0.000 1.075 786 I CA 1.989 63.276 61.300 -0.021 0.000 1.332 786 I CB -1.028 36.961 38.000 -0.019 0.000 1.033 786 I HN 0.398 nan 8.210 nan 0.000 0.410 787 K N 0.660 121.048 120.400 -0.021 0.000 2.059 787 K HA -0.283 4.036 4.320 -0.001 0.000 0.212 787 K C 2.279 178.866 176.600 -0.023 0.000 1.050 787 K CA 2.006 58.280 56.287 -0.021 0.000 0.927 787 K CB -0.103 32.386 32.500 -0.018 0.000 0.714 787 K HN 0.017 nan 8.250 nan 0.000 0.447 788 R N 0.439 120.927 120.500 -0.021 0.000 2.083 788 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 788 R C 2.027 178.312 176.300 -0.025 0.000 1.137 788 R CA 1.872 57.959 56.100 -0.021 0.000 0.951 788 R CB -0.716 29.573 30.300 -0.018 0.000 0.851 788 R HN 0.339 nan 8.270 nan 0.000 0.434 789 A N 0.639 123.442 122.820 -0.028 0.000 1.902 789 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 789 A C 2.107 179.666 177.584 -0.041 0.000 1.181 789 A CA 1.571 53.587 52.037 -0.035 0.000 0.623 789 A CB -0.475 18.502 19.000 -0.037 0.000 0.818 789 A HN 0.345 nan 8.150 nan 0.000 0.443 790 R N -0.545 119.931 120.500 -0.040 0.000 2.096 790 R HA -0.173 4.166 4.340 -0.001 0.000 0.235 790 R C 2.354 178.629 176.300 -0.041 0.000 1.127 790 R CA 1.714 57.787 56.100 -0.045 0.000 0.968 790 R CB -0.398 29.878 30.300 -0.040 0.000 0.861 790 R HN 0.714 nan 8.270 nan 0.000 0.440 791 Q N 0.485 120.266 119.800 -0.033 0.000 2.079 791 Q HA -0.158 4.182 4.340 -0.001 0.000 0.200 791 Q C 2.048 178.030 176.000 -0.029 0.000 0.974 791 Q CA 1.324 57.110 55.803 -0.029 0.000 0.840 791 Q CB -0.064 28.660 28.738 -0.023 0.000 0.898 791 Q HN 0.021 nan 8.270 nan 0.000 0.430 792 K N 0.858 121.240 120.400 -0.030 0.000 2.211 792 K HA -0.152 4.167 4.320 -0.001 0.000 0.203 792 K C 1.719 178.298 176.600 -0.035 0.000 1.050 792 K CA 0.625 56.895 56.287 -0.029 0.000 0.945 792 K CB -0.311 32.172 32.500 -0.027 0.000 0.732 792 K HN 0.103 nan 8.250 nan 0.000 0.451 793 L N 1.258 122.454 121.223 -0.045 0.000 1.955 793 L HA -0.127 4.212 4.340 -0.001 0.000 0.213 793 L C 1.999 178.839 176.870 -0.050 0.000 1.072 793 L CA 1.801 56.607 54.840 -0.057 0.000 0.755 793 L CB -0.756 41.258 42.059 -0.074 0.000 0.888 793 L HN 0.153 nan 8.230 nan 0.000 0.432 794 R N -0.067 120.405 120.500 -0.047 0.000 2.133 794 R HA -0.275 4.065 4.340 -0.001 0.000 0.245 794 R C 2.069 178.350 176.300 -0.032 0.000 1.137 794 R CA 2.201 58.276 56.100 -0.041 0.000 0.947 794 R CB -0.767 29.512 30.300 -0.036 0.000 0.865 794 R HN 0.757 nan 8.270 nan 0.000 0.437 795 E N 0.824 121.009 120.200 -0.026 0.000 2.204 795 E HA -0.167 4.182 4.350 -0.001 0.000 0.195 795 E C 1.947 178.537 176.600 -0.016 0.000 0.990 795 E CA 0.974 57.362 56.400 -0.019 0.000 0.821 795 E CB -0.353 29.337 29.700 -0.016 0.000 0.750 795 E HN 0.339 nan 8.360 nan 0.000 0.477 796 L N 0.712 121.924 121.223 -0.019 0.000 2.093 796 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 796 L C 2.023 178.885 176.870 -0.013 0.000 1.085 796 L CA 1.446 56.279 54.840 -0.011 0.000 0.755 796 L CB -0.180 41.871 42.059 -0.013 0.000 0.904 796 L HN 0.161 nan 8.230 nan 0.000 0.435 797 E N -0.782 119.402 120.200 -0.026 0.000 2.481 797 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 797 E C 2.127 178.715 176.600 -0.021 0.000 1.047 797 E CA 0.773 57.157 56.400 -0.027 0.000 0.867 797 E CB 0.156 29.828 29.700 -0.045 0.000 0.858 797 E HN 0.452 nan 8.360 nan 0.000 0.513 798 S N 0.605 116.294 115.700 -0.018 0.000 2.387 798 S HA -0.074 4.396 4.470 -0.001 0.000 0.226 798 S C 1.840 176.433 174.600 -0.012 0.000 1.026 798 S CA 0.621 58.812 58.200 -0.015 0.000 0.972 798 S CB -0.194 62.997 63.200 -0.015 0.000 0.814 798 S HN 0.208 nan 8.310 nan 0.000 0.477 799 I N 1.198 121.762 120.570 -0.011 0.000 3.728 799 I HA 0.188 4.357 4.170 -0.001 0.000 0.307 799 I C 1.390 177.501 176.117 -0.010 0.000 1.276 799 I CA -0.078 61.216 61.300 -0.010 0.000 1.285 799 I CB 0.103 38.097 38.000 -0.009 0.000 1.038 799 I HN 0.232 nan 8.210 nan 0.000 0.445 800 S N 0.000 115.696 115.700 -0.006 0.000 2.498 800 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 800 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 800 S CB 0.000 63.204 63.200 0.006 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517