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 1fu4_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.019 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 14 S N -0.127 115.566 115.700 -0.011 0.000 2.630 14 S HA 0.225 4.687 4.470 -0.013 0.000 0.274 14 S C -1.230 173.372 174.600 0.004 0.000 0.915 14 S CA -0.147 58.054 58.200 0.002 0.000 1.079 14 S CB 0.595 63.797 63.200 0.002 0.000 1.360 14 S HN 0.079 nan 8.310 nan 0.000 0.455 15 V N 3.599 123.522 119.914 0.015 0.000 2.847 15 V HA 0.355 4.468 4.120 -0.013 0.000 0.364 15 V C 1.136 177.238 176.094 0.012 0.000 1.374 15 V CA -0.189 62.120 62.300 0.015 0.000 1.542 15 V CB -0.638 31.201 31.823 0.027 0.000 1.471 15 V HN 0.594 nan 8.190 nan 0.000 0.557 16 R N 1.869 122.370 120.500 0.002 0.000 2.423 16 R HA 0.446 4.778 4.340 -0.013 0.000 0.248 16 R C 1.061 177.353 176.300 -0.015 0.000 1.019 16 R CA 0.552 56.650 56.100 -0.003 0.000 1.119 16 R CB 0.282 30.576 30.300 -0.009 0.000 1.176 16 R HN 0.715 nan 8.270 nan 0.000 0.526 17 G N 0.703 109.494 108.800 -0.015 0.000 2.610 17 G HA2 -0.199 3.754 3.960 -0.013 0.000 0.304 17 G HA3 -0.199 3.754 3.960 -0.013 0.000 0.304 17 G C -1.181 173.704 174.900 -0.025 0.000 1.309 17 G CA -1.054 44.030 45.100 -0.027 0.000 0.906 17 G HN 0.021 nan 8.290 nan 0.000 0.521 18 L N 0.608 121.814 121.223 -0.028 0.000 2.334 18 L HA 0.725 5.057 4.340 -0.013 0.000 0.277 18 L C 1.258 178.113 176.870 -0.025 0.000 1.075 18 L CA 0.082 54.907 54.840 -0.024 0.000 0.804 18 L CB 1.177 43.224 42.059 -0.020 0.000 1.174 18 L HN 1.539 nan 8.230 nan 0.000 0.438 19 A N 2.638 125.445 122.820 -0.022 0.000 3.175 19 A HA 0.560 4.872 4.320 -0.013 0.000 0.289 19 A C 0.814 178.391 177.584 -0.012 0.000 1.429 19 A CA -0.291 51.734 52.037 -0.020 0.000 1.155 19 A CB -0.736 18.249 19.000 -0.025 0.000 1.169 19 A HN 0.787 nan 8.150 nan 0.000 0.574 20 G N -0.270 108.525 108.800 -0.009 0.000 2.484 20 G HA2 0.294 4.246 3.960 -0.013 0.000 0.235 20 G HA3 0.294 4.246 3.960 -0.013 0.000 0.235 20 G C 1.030 175.933 174.900 0.005 0.000 1.282 20 G CA 0.077 45.176 45.100 -0.002 0.000 0.857 20 G HN 0.427 nan 8.290 nan 0.000 0.571 21 V N 1.930 121.848 119.914 0.007 0.000 2.261 21 V HA -0.170 3.942 4.120 -0.013 0.000 0.246 21 V C 2.686 178.791 176.094 0.017 0.000 1.047 21 V CA 2.410 64.717 62.300 0.011 0.000 1.015 21 V CB -0.707 31.122 31.823 0.010 0.000 0.642 21 V HN 0.767 nan 8.190 nan 0.000 0.446 22 E N 0.276 120.487 120.200 0.018 0.000 2.106 22 E HA -0.167 4.175 4.350 -0.013 0.000 0.192 22 E C 2.064 178.685 176.600 0.036 0.000 0.984 22 E CA 1.439 57.854 56.400 0.025 0.000 0.806 22 E CB -0.285 29.429 29.700 0.024 0.000 0.750 22 E HN 0.648 nan 8.360 nan 0.000 0.458 23 N N -1.176 117.545 118.700 0.034 0.000 2.300 23 N HA -0.084 4.648 4.740 -0.013 0.000 0.179 23 N C 1.428 176.965 175.510 0.046 0.000 1.016 23 N CA 0.570 53.649 53.050 0.047 0.000 0.876 23 N CB 0.280 38.785 38.487 0.030 0.000 0.979 23 N HN -0.047 nan 8.380 nan 0.000 0.432 24 V N 0.084 120.015 119.914 0.029 0.000 2.427 24 V HA -0.189 3.924 4.120 -0.013 0.000 0.248 24 V C 1.930 178.047 176.094 0.038 0.000 1.051 24 V CA 1.673 63.990 62.300 0.027 0.000 1.048 24 V CB -0.663 31.171 31.823 0.018 0.000 0.666 24 V HN 0.409 nan 8.190 nan 0.000 0.456 25 T N -0.439 114.138 114.554 0.039 0.000 2.737 25 T HA -0.201 4.142 4.350 -0.013 0.000 0.265 25 T C 1.906 176.642 174.700 0.060 0.000 1.038 25 T CA 1.695 63.819 62.100 0.042 0.000 1.144 25 T CB -0.174 68.715 68.868 0.034 0.000 0.866 25 T HN 0.498 nan 8.240 nan 0.000 0.434 26 E N 0.794 121.035 120.200 0.070 0.000 2.077 26 E HA -0.102 4.240 4.350 -0.013 0.000 0.193 26 E C 1.927 178.605 176.600 0.130 0.000 0.989 26 E CA 0.794 57.249 56.400 0.092 0.000 0.800 26 E CB -0.500 29.261 29.700 0.101 0.000 0.746 26 E HN 0.160 nan 8.360 nan 0.000 0.452 27 L N 0.949 122.255 121.223 0.138 0.000 1.989 27 L HA -0.141 4.191 4.340 -0.013 0.000 0.211 27 L C 2.186 179.165 176.870 0.182 0.000 1.071 27 L CA 1.906 56.853 54.840 0.177 0.000 0.749 27 L CB -0.886 41.242 42.059 0.117 0.000 0.890 27 L HN 0.098 nan 8.230 nan 0.000 0.431 28 K N -0.177 120.292 120.400 0.114 0.000 2.074 28 K HA -0.237 4.076 4.320 -0.013 0.000 0.209 28 K C 1.945 178.652 176.600 0.178 0.000 1.048 28 K CA 2.052 58.402 56.287 0.105 0.000 0.926 28 K CB -0.127 32.395 32.500 0.037 0.000 0.713 28 K HN 0.443 nan 8.250 nan 0.000 0.444 29 K N 0.105 120.588 120.400 0.138 0.000 2.148 29 K HA -0.034 4.278 4.320 -0.013 0.000 0.204 29 K C 1.591 178.282 176.600 0.151 0.000 1.050 29 K CA 1.229 57.593 56.287 0.128 0.000 0.942 29 K CB -0.117 32.432 32.500 0.081 0.000 0.724 29 K HN 0.073 nan 8.250 nan 0.000 0.446 30 N N 0.515 119.318 118.700 0.172 0.000 2.331 30 N HA -0.086 4.646 4.740 -0.013 0.000 0.180 30 N C 1.547 177.224 175.510 0.278 0.000 1.019 30 N CA 0.815 53.961 53.050 0.161 0.000 0.881 30 N CB -0.121 38.476 38.487 0.183 0.000 0.972 30 N HN 0.192 nan 8.380 nan 0.000 0.435 31 F N 2.548 122.605 119.950 0.179 0.000 2.146 31 F HA -0.043 4.477 4.527 -0.013 0.000 0.298 31 F C 2.014 177.929 175.800 0.192 0.000 1.096 31 F CA 1.173 59.297 58.000 0.207 0.000 1.275 31 F CB -0.110 38.980 39.000 0.150 0.000 1.008 31 F HN -0.059 nan 8.300 nan 0.000 0.480 32 N N 0.486 119.404 118.700 0.363 0.000 2.188 32 N HA -0.149 4.584 4.740 -0.013 0.000 0.184 32 N C 2.091 177.682 175.510 0.135 0.000 1.018 32 N CA 0.758 53.945 53.050 0.228 0.000 0.858 32 N CB -0.480 38.130 38.487 0.204 0.000 0.989 32 N HN 0.314 nan 8.380 nan 0.000 0.426 33 R N 0.670 121.248 120.500 0.131 0.000 2.097 33 R HA -0.145 4.187 4.340 -0.013 0.000 0.236 33 R C 1.858 178.241 176.300 0.138 0.000 1.135 33 R CA 1.660 57.856 56.100 0.161 0.000 0.934 33 R CB -0.544 29.739 30.300 -0.028 0.000 0.846 33 R HN 0.465 nan 8.270 nan 0.000 0.431 34 H N -0.300 118.817 119.070 0.078 0.000 2.387 34 H HA -0.147 4.401 4.556 -0.013 0.000 0.299 34 H C 1.862 177.128 175.328 -0.102 0.000 1.090 34 H CA 1.413 57.439 56.048 -0.037 0.000 1.332 34 H CB -0.026 29.677 29.762 -0.098 0.000 1.386 34 H HN 0.098 nan 8.280 nan 0.000 0.516 35 L N -0.043 121.166 121.223 -0.023 0.000 2.083 35 L HA -0.184 4.149 4.340 -0.013 0.000 0.209 35 L C 2.154 179.005 176.870 -0.032 0.000 1.083 35 L CA 1.868 56.658 54.840 -0.083 0.000 0.752 35 L CB -0.487 41.518 42.059 -0.090 0.000 0.899 35 L HN 0.286 nan 8.230 nan 0.000 0.433 36 H N -1.610 117.379 119.070 -0.135 0.000 2.273 36 H HA -0.039 4.510 4.556 -0.013 0.000 0.311 36 H C 1.850 176.967 175.328 -0.351 0.000 1.057 36 H CA 2.232 58.103 56.048 -0.295 0.000 1.360 36 H CB -0.394 29.101 29.762 -0.446 0.000 1.414 36 H HN 0.265 nan 8.280 nan 0.000 0.516 37 F N -0.240 119.695 119.950 -0.025 0.000 2.206 37 F HA -0.074 4.445 4.527 -0.013 0.000 0.298 37 F C 2.572 178.294 175.800 -0.131 0.000 1.090 37 F CA 1.542 59.474 58.000 -0.113 0.000 1.323 37 F CB -0.425 38.537 39.000 -0.063 0.000 1.028 37 F HN 0.206 nan 8.300 nan 0.000 0.492 38 T N -0.678 113.904 114.554 0.045 0.000 2.983 38 T HA 0.044 4.387 4.350 -0.013 0.000 0.250 38 T C 1.652 176.260 174.700 -0.153 0.000 1.037 38 T CA 0.603 62.660 62.100 -0.071 0.000 1.142 38 T CB -0.093 68.703 68.868 -0.120 0.000 0.876 38 T HN -0.044 nan 8.240 nan 0.000 0.455 39 L N 0.964 122.102 121.223 -0.143 0.000 2.477 39 L HA 0.308 4.640 4.340 -0.013 0.000 0.220 39 L C 0.568 177.345 176.870 -0.156 0.000 1.106 39 L CA 0.277 55.022 54.840 -0.159 0.000 0.851 39 L CB -0.512 41.464 42.059 -0.138 0.000 0.994 39 L HN 0.023 nan 8.230 nan 0.000 0.462 40 V N 0.563 120.368 119.914 -0.182 0.000 6.016 40 V HA -0.295 3.817 4.120 -0.013 0.000 0.265 40 V C 0.397 176.384 176.094 -0.179 0.000 0.621 40 V CA 0.831 62.993 62.300 -0.231 0.000 0.592 40 V CB -2.052 29.658 31.823 -0.188 0.000 0.298 40 V HN 0.403 nan 8.190 nan 0.000 0.615 41 K N 1.463 121.770 120.400 -0.154 0.000 2.495 41 K HA 0.671 4.984 4.320 -0.013 0.000 0.268 41 K C -0.773 175.802 176.600 -0.041 0.000 1.008 41 K CA -0.591 55.636 56.287 -0.099 0.000 0.882 41 K CB 2.893 35.331 32.500 -0.105 0.000 1.443 41 K HN 0.618 nan 8.250 nan 0.000 0.447 42 D N 0.344 120.736 120.400 -0.012 0.000 2.575 42 D HA 0.277 4.909 4.640 -0.013 0.000 0.236 42 D C 0.557 176.885 176.300 0.047 0.000 1.075 42 D CA -0.595 53.429 54.000 0.040 0.000 0.860 42 D CB 1.590 42.412 40.800 0.037 0.000 1.475 42 D HN 0.187 nan 8.370 nan 0.000 0.474 43 R N 1.160 121.718 120.500 0.096 0.000 2.198 43 R HA -0.169 4.164 4.340 -0.013 0.000 0.258 43 R C 1.135 177.505 176.300 0.116 0.000 1.173 43 R CA 1.089 57.283 56.100 0.156 0.000 0.991 43 R CB -0.767 29.630 30.300 0.160 0.000 0.879 43 R HN 0.603 nan 8.270 nan 0.000 0.460 44 N N 0.497 119.237 118.700 0.066 0.000 2.494 44 N HA -0.065 4.667 4.740 -0.013 0.000 0.182 44 N C 1.281 176.809 175.510 0.030 0.000 1.076 44 N CA 1.295 54.375 53.050 0.049 0.000 0.908 44 N CB 0.432 38.939 38.487 0.033 0.000 0.967 44 N HN 0.206 nan 8.380 nan 0.000 0.449 45 V N -3.086 116.833 119.914 0.008 0.000 3.398 45 V HA 0.447 4.560 4.120 -0.013 0.000 0.298 45 V C 0.710 176.771 176.094 -0.056 0.000 1.496 45 V CA -0.616 61.676 62.300 -0.014 0.000 1.044 45 V CB -0.140 31.670 31.823 -0.021 0.000 0.880 45 V HN 0.017 nan 8.190 nan 0.000 0.443 46 A N 2.166 124.926 122.820 -0.100 0.000 2.477 46 A HA 0.592 4.904 4.320 -0.013 0.000 0.246 46 A C 0.716 178.107 177.584 -0.321 0.000 1.078 46 A CA 0.886 52.745 52.037 -0.297 0.000 0.770 46 A CB -0.035 18.651 19.000 -0.523 0.000 1.011 46 A HN 0.772 nan 8.150 nan 0.000 0.494 47 T N 0.020 114.394 114.554 -0.299 0.000 2.949 47 T HA 0.605 4.947 4.350 -0.013 0.000 0.287 47 T C -2.163 172.477 174.700 -0.100 0.000 1.034 47 T CA -1.825 60.203 62.100 -0.120 0.000 1.018 47 T CB 1.360 70.213 68.868 -0.025 0.000 1.135 47 T HN 0.230 nan 8.240 nan 0.000 0.532 48 P HA -0.111 nan 4.420 nan 0.000 0.216 48 P C 1.576 179.004 177.300 0.214 0.000 1.150 48 P CA 1.026 64.281 63.100 0.259 0.000 0.843 48 P CB 0.047 31.854 31.700 0.178 0.000 0.787 49 R N -0.071 120.504 120.500 0.126 0.000 2.096 49 R HA -0.135 4.197 4.340 -0.013 0.000 0.235 49 R C 1.701 178.190 176.300 0.316 0.000 1.127 49 R CA 1.771 57.985 56.100 0.189 0.000 0.968 49 R CB -0.648 29.712 30.300 0.100 0.000 0.861 49 R HN 0.102 nan 8.270 nan 0.000 0.440 50 D N -0.337 120.133 120.400 0.117 0.000 2.097 50 D HA -0.186 4.446 4.640 -0.013 0.000 0.195 50 D C 1.751 178.097 176.300 0.077 0.000 0.989 50 D CA 1.285 55.314 54.000 0.047 0.000 0.827 50 D CB -0.365 40.314 40.800 -0.201 0.000 0.966 50 D HN 0.280 nan 8.370 nan 0.000 0.456 51 Y N 0.249 120.666 120.300 0.195 0.000 2.207 51 Y HA -0.230 4.313 4.550 -0.013 0.000 0.287 51 Y C 2.341 178.396 175.900 0.257 0.000 1.156 51 Y CA 0.428 58.689 58.100 0.268 0.000 1.182 51 Y CB -1.109 37.563 38.460 0.354 0.000 0.979 51 Y HN 0.121 nan 8.280 nan 0.000 0.521 52 Y N -0.778 119.680 120.300 0.263 0.000 2.181 52 Y HA -0.240 4.302 4.550 -0.013 0.000 0.288 52 Y C 1.908 177.790 175.900 -0.029 0.000 1.146 52 Y CA 1.148 59.299 58.100 0.085 0.000 1.164 52 Y CB -1.058 37.348 38.460 -0.090 0.000 0.982 52 Y HN 0.044 nan 8.280 nan 0.000 0.515 53 F N 0.193 119.920 119.950 -0.371 0.000 2.186 53 F HA -0.083 4.437 4.527 -0.012 0.000 0.299 53 F C 2.655 178.279 175.800 -0.293 0.000 1.090 53 F CA 1.238 58.949 58.000 -0.482 0.000 1.307 53 F CB -0.812 38.099 39.000 -0.149 0.000 1.019 53 F HN 0.183 nan 8.300 nan 0.000 0.489 54 A N 0.008 122.784 122.820 -0.074 0.000 1.883 54 A HA -0.227 4.085 4.320 -0.013 0.000 0.217 54 A C 2.074 179.567 177.584 -0.153 0.000 1.186 54 A CA 1.835 53.710 52.037 -0.270 0.000 0.624 54 A CB -1.112 17.349 19.000 -0.899 0.000 0.822 54 A HN 0.356 nan 8.150 nan 0.000 0.444 55 L N -0.310 120.932 121.223 0.033 0.000 2.017 55 L HA -0.033 4.300 4.340 -0.013 0.000 0.208 55 L C 2.699 179.565 176.870 -0.006 0.000 1.073 55 L CA 2.240 57.219 54.840 0.232 0.000 0.745 55 L CB -0.983 41.272 42.059 0.328 0.000 0.894 55 L HN 0.355 nan 8.230 nan 0.000 0.432 56 A N -1.238 121.395 122.820 -0.311 0.000 1.883 56 A HA -0.299 4.013 4.320 -0.013 0.000 0.217 56 A C 2.169 179.431 177.584 -0.537 0.000 1.186 56 A CA 2.095 53.840 52.037 -0.487 0.000 0.624 56 A CB -1.143 17.228 19.000 -1.048 0.000 0.822 56 A HN 0.689 nan 8.150 nan 0.000 0.444 57 H N -0.863 117.908 119.070 -0.498 0.000 2.387 57 H HA -0.057 4.491 4.556 -0.013 0.000 0.299 57 H C 2.345 177.407 175.328 -0.444 0.000 1.090 57 H CA 1.956 57.635 56.048 -0.616 0.000 1.332 57 H CB -0.071 29.083 29.762 -1.012 0.000 1.386 57 H HN 0.487 nan 8.280 nan 0.000 0.516 58 T N -0.384 114.122 114.554 -0.080 0.000 2.737 58 T HA -0.133 4.209 4.350 -0.013 0.000 0.265 58 T C 2.268 177.147 174.700 0.299 0.000 1.038 58 T CA 1.301 63.542 62.100 0.235 0.000 1.144 58 T CB -0.410 68.665 68.868 0.344 0.000 0.866 58 T HN 0.090 nan 8.240 nan 0.000 0.434 59 V N 1.740 121.794 119.914 0.234 0.000 2.343 59 V HA -0.154 3.958 4.120 -0.013 0.000 0.247 59 V C 2.651 178.937 176.094 0.320 0.000 1.051 59 V CA 1.686 64.162 62.300 0.294 0.000 1.036 59 V CB -0.646 31.344 31.823 0.277 0.000 0.654 59 V HN 0.387 nan 8.190 nan 0.000 0.451 60 R N 0.075 120.715 120.500 0.233 0.000 2.127 60 R HA -0.219 4.113 4.340 -0.013 0.000 0.238 60 R C 1.935 178.353 176.300 0.197 0.000 1.134 60 R CA 2.002 58.244 56.100 0.237 0.000 0.975 60 R CB -0.428 29.860 30.300 -0.020 0.000 0.865 60 R HN 0.474 nan 8.270 nan 0.000 0.447 61 D N -0.017 120.483 120.400 0.166 0.000 2.123 61 D HA -0.169 4.463 4.640 -0.013 0.000 0.196 61 D C 1.723 178.052 176.300 0.049 0.000 0.992 61 D CA 1.150 55.214 54.000 0.107 0.000 0.833 61 D CB -0.395 40.454 40.800 0.083 0.000 0.954 61 D HN 0.443 nan 8.370 nan 0.000 0.455 62 H N -0.255 118.887 119.070 0.120 0.000 2.518 62 H HA -0.025 4.523 4.556 -0.013 0.000 0.289 62 H C 1.918 177.294 175.328 0.080 0.000 1.051 62 H CA 0.711 56.813 56.048 0.090 0.000 1.280 62 H CB 0.287 30.094 29.762 0.074 0.000 1.380 62 H HN 0.275 nan 8.280 nan 0.000 0.566 63 L N -1.322 120.017 121.223 0.193 0.000 2.766 63 L HA 0.174 4.506 4.340 -0.013 0.000 0.242 63 L C 1.874 178.863 176.870 0.199 0.000 1.136 63 L CA -0.014 54.910 54.840 0.140 0.000 0.933 63 L CB 0.005 42.102 42.059 0.063 0.000 1.241 63 L HN -0.118 nan 8.230 nan 0.000 0.522 64 V N -2.349 117.702 119.914 0.229 0.000 2.453 64 V HA 0.112 4.225 4.120 -0.013 0.000 0.247 64 V C 2.486 178.707 176.094 0.211 0.000 1.048 64 V CA 1.477 63.962 62.300 0.309 0.000 1.049 64 V CB -1.589 30.372 31.823 0.230 0.000 0.672 64 V HN 0.352 nan 8.190 nan 0.000 0.457 65 G N 0.261 109.138 108.800 0.129 0.000 2.421 65 G HA2 -0.229 3.723 3.960 -0.013 0.000 0.216 65 G HA3 -0.229 3.723 3.960 -0.013 0.000 0.216 65 G C 1.806 176.759 174.900 0.088 0.000 1.171 65 G CA 0.976 46.124 45.100 0.080 0.000 0.775 65 G HN 0.483 nan 8.290 nan 0.000 0.543 66 R N -1.446 119.116 120.500 0.104 0.000 2.092 66 R HA -0.058 4.274 4.340 -0.013 0.000 0.231 66 R C 2.251 178.637 176.300 0.142 0.000 1.119 66 R CA 1.012 57.160 56.100 0.080 0.000 0.970 66 R CB -0.346 29.983 30.300 0.049 0.000 0.864 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 W N 1.462 122.747 121.300 -0.026 0.000 2.335 67 W HA -0.130 4.522 4.660 -0.013 0.000 0.311 67 W C 1.655 178.150 176.519 -0.040 0.000 1.213 67 W CA 1.107 58.434 57.345 -0.030 0.000 1.274 67 W CB -0.608 28.855 29.460 0.004 0.000 1.148 67 W HN -0.002 nan 8.180 nan 0.000 0.498 68 I N 0.775 121.403 120.570 0.096 0.000 2.252 68 I HA -0.327 3.835 4.170 -0.013 0.000 0.245 68 I C 2.600 178.704 176.117 -0.022 0.000 1.102 68 I CA 1.721 62.993 61.300 -0.047 0.000 1.385 68 I CB -0.458 37.519 38.000 -0.040 0.000 1.064 68 I HN -0.048 nan 8.210 nan 0.000 0.414 69 R N -0.163 120.340 120.500 0.005 0.000 2.115 69 R HA -0.038 4.294 4.340 -0.013 0.000 0.226 69 R C 2.047 178.318 176.300 -0.047 0.000 1.100 69 R CA 1.501 57.598 56.100 -0.006 0.000 0.980 69 R CB -1.161 29.136 30.300 -0.005 0.000 0.875 69 R HN 0.240 nan 8.270 nan 0.000 0.445 70 T N 1.680 116.180 114.554 -0.091 0.000 2.674 70 T HA -0.119 4.223 4.350 -0.013 0.000 0.265 70 T C 1.880 176.314 174.700 -0.445 0.000 1.039 70 T CA 1.256 63.185 62.100 -0.285 0.000 1.150 70 T CB -0.119 68.624 68.868 -0.209 0.000 0.864 70 T HN 0.190 nan 8.240 nan 0.000 0.427 71 Q N 0.789 120.474 119.800 -0.192 0.000 2.124 71 Q HA -0.103 4.229 4.340 -0.013 0.000 0.202 71 Q C 2.380 178.395 176.000 0.025 0.000 0.977 71 Q CA 1.367 57.132 55.803 -0.064 0.000 0.850 71 Q CB -0.591 28.139 28.738 -0.012 0.000 0.901 71 Q HN 0.475 nan 8.270 nan 0.000 0.429 72 Q N 0.263 120.072 119.800 0.014 0.000 2.050 72 Q HA -0.194 4.138 4.340 -0.013 0.000 0.202 72 Q C 1.918 178.013 176.000 0.157 0.000 0.980 72 Q CA 2.111 57.970 55.803 0.094 0.000 0.840 72 Q CB -0.548 28.224 28.738 0.057 0.000 0.898 72 Q HN 0.570 nan 8.270 nan 0.000 0.424 73 H N -0.872 118.183 119.070 -0.025 0.000 2.289 73 H HA -0.214 4.335 4.556 -0.013 0.000 0.294 73 H C 1.335 176.741 175.328 0.130 0.000 1.095 73 H CA 2.528 58.572 56.048 -0.006 0.000 1.256 73 H CB -0.447 29.241 29.762 -0.124 0.000 1.359 73 H HN 0.380 nan 8.280 nan 0.000 0.487 74 Y N -1.030 119.362 120.300 0.152 0.000 2.315 74 Y HA -0.214 4.328 4.550 -0.013 0.000 0.288 74 Y C 2.415 178.366 175.900 0.085 0.000 1.154 74 Y CA 1.049 59.205 58.100 0.094 0.000 1.229 74 Y CB -1.263 37.295 38.460 0.164 0.000 0.980 74 Y HN 0.421 nan 8.280 nan 0.000 0.540 75 Y N 1.013 121.407 120.300 0.156 0.000 2.263 75 Y HA -0.112 4.430 4.550 -0.013 0.000 0.292 75 Y C 2.038 177.955 175.900 0.029 0.000 1.130 75 Y CA 1.392 59.547 58.100 0.091 0.000 1.179 75 Y CB -0.060 38.439 38.460 0.065 0.000 0.998 75 Y HN 0.025 nan 8.280 nan 0.000 0.532 76 E N 0.356 120.493 120.200 -0.105 0.000 2.008 76 E HA -0.149 4.193 4.350 -0.013 0.000 0.191 76 E C 1.987 178.455 176.600 -0.221 0.000 0.986 76 E CA 1.124 57.397 56.400 -0.212 0.000 0.807 76 E CB -0.213 29.423 29.700 -0.106 0.000 0.766 76 E HN 0.324 nan 8.360 nan 0.000 0.450 77 K N 0.835 121.098 120.400 -0.229 0.000 2.148 77 K HA -0.110 4.202 4.320 -0.013 0.000 0.204 77 K C 0.267 176.809 176.600 -0.097 0.000 1.050 77 K CA 0.750 56.929 56.287 -0.181 0.000 0.942 77 K CB -0.548 31.795 32.500 -0.262 0.000 0.724 77 K HN 0.139 nan 8.250 nan 0.000 0.446 78 D N 0.241 120.606 120.400 -0.059 0.000 2.746 78 D HA -0.099 4.533 4.640 -0.013 0.000 0.241 78 D C -2.369 173.938 176.300 0.011 0.000 1.140 78 D CA 0.108 54.102 54.000 -0.011 0.000 0.707 78 D CB -0.257 40.515 40.800 -0.047 0.000 1.034 78 D HN 0.166 nan 8.370 nan 0.000 0.423 79 P HA 0.172 nan 4.420 nan 0.000 0.282 79 P C -0.230 177.051 177.300 -0.032 0.000 1.287 79 P CA -0.707 62.382 63.100 -0.018 0.000 0.792 79 P CB 0.605 32.278 31.700 -0.045 0.000 1.163 80 K N 0.769 121.146 120.400 -0.039 0.000 2.401 80 K HA 0.106 4.418 4.320 -0.013 0.000 0.278 80 K C -0.197 176.323 176.600 -0.134 0.000 1.018 80 K CA -0.104 56.149 56.287 -0.058 0.000 0.981 80 K CB 0.255 32.734 32.500 -0.035 0.000 0.933 80 K HN 0.227 nan 8.250 nan 0.000 0.477 81 R N 3.661 124.062 120.500 -0.166 0.000 2.407 81 R HA 0.358 4.690 4.340 -0.013 0.000 0.303 81 R C -0.607 175.408 176.300 -0.475 0.000 0.981 81 R CA -0.481 55.440 56.100 -0.298 0.000 0.905 81 R CB 0.909 31.045 30.300 -0.274 0.000 1.099 81 R HN 0.518 nan 8.270 nan 0.000 0.459 82 I N 4.457 124.703 120.570 -0.540 0.000 2.339 82 I HA 0.222 4.385 4.170 -0.013 0.000 0.290 82 I C -0.670 175.146 176.117 -0.502 0.000 0.994 82 I CA -0.733 60.194 61.300 -0.621 0.000 1.191 82 I CB 0.811 38.321 38.000 -0.817 0.000 1.343 82 I HN 0.527 nan 8.210 nan 0.000 0.458 83 Y N 5.795 126.056 120.300 -0.064 0.000 2.356 83 Y HA 0.276 4.818 4.550 -0.013 0.000 0.334 83 Y C -0.229 175.770 175.900 0.164 0.000 0.958 83 Y CA -0.745 57.437 58.100 0.137 0.000 1.196 83 Y CB 1.017 39.500 38.460 0.038 0.000 1.137 83 Y HN 0.398 nan 8.280 nan 0.000 0.485 84 Y N 4.613 125.103 120.300 0.317 0.000 2.535 84 Y HA 0.438 4.980 4.550 -0.013 0.000 0.349 84 Y C -1.105 175.067 175.900 0.455 0.000 0.992 84 Y CA -0.933 57.365 58.100 0.330 0.000 1.248 84 Y CB 0.160 38.823 38.460 0.339 0.000 1.124 84 Y HN 0.504 nan 8.280 nan 0.000 0.520 85 L N 4.962 126.249 121.223 0.106 0.000 2.281 85 L HA 0.450 4.782 4.340 -0.013 0.000 0.285 85 L C -0.112 176.771 176.870 0.021 0.000 1.074 85 L CA 0.190 55.138 54.840 0.180 0.000 0.817 85 L CB 1.186 43.310 42.059 0.109 0.000 1.168 85 L HN 0.578 nan 8.230 nan 0.000 0.434 86 S N 2.735 118.530 115.700 0.159 0.000 2.537 86 S HA 0.489 4.951 4.470 -0.013 0.000 0.270 86 S C 0.089 174.772 174.600 0.139 0.000 1.142 86 S CA -0.568 57.618 58.200 -0.023 0.000 0.870 86 S CB 1.007 63.970 63.200 -0.396 0.000 1.112 86 S HN 0.452 nan 8.310 nan 0.000 0.466 87 L N 2.563 123.903 121.223 0.196 0.000 2.591 87 L HA 0.483 4.815 4.340 -0.013 0.000 0.228 87 L C 0.345 177.398 176.870 0.304 0.000 1.133 87 L CA 0.909 55.931 54.840 0.304 0.000 0.880 87 L CB -0.131 42.111 42.059 0.305 0.000 1.033 87 L HN 0.675 nan 8.230 nan 0.000 0.450 88 E N -1.358 118.887 120.200 0.075 0.000 2.292 88 E HA 0.421 4.763 4.350 -0.013 0.000 0.272 88 E C -1.412 175.077 176.600 -0.186 0.000 0.881 88 E CA -0.467 55.969 56.400 0.061 0.000 0.754 88 E CB 1.949 31.660 29.700 0.019 0.000 1.201 88 E HN -0.164 nan 8.360 nan 0.000 0.425 89 F N 2.134 122.182 119.950 0.164 0.000 3.034 89 F HA 0.160 4.679 4.527 -0.013 0.000 0.371 89 F C -0.913 174.970 175.800 0.138 0.000 1.233 89 F CA -0.715 57.377 58.000 0.154 0.000 1.134 89 F CB 0.913 40.000 39.000 0.146 0.000 1.495 89 F HN 0.484 nan 8.300 nan 0.000 0.563 90 Y N 5.122 125.501 120.300 0.133 0.000 2.570 90 Y HA 0.162 4.704 4.550 -0.012 0.000 0.336 90 Y C 1.154 177.074 175.900 0.034 0.000 1.284 90 Y CA -0.831 57.294 58.100 0.041 0.000 1.761 90 Y CB 0.214 38.681 38.460 0.013 0.000 1.724 90 Y HN 0.528 nan 8.280 nan 0.000 0.455 91 M N 1.151 120.883 119.600 0.219 0.000 2.200 91 M HA 0.090 4.562 4.480 -0.013 0.000 0.265 91 M C 1.563 177.835 176.300 -0.047 0.000 1.066 91 M CA 1.133 56.467 55.300 0.056 0.000 1.127 91 M CB -1.289 31.321 32.600 0.016 0.000 1.379 91 M HN 0.638 nan 8.290 nan 0.000 0.420 92 G N 1.023 109.805 108.800 -0.031 0.000 2.645 92 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.239 92 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.239 92 G C -0.438 174.415 174.900 -0.078 0.000 1.331 92 G CA -0.325 44.719 45.100 -0.094 0.000 0.890 92 G HN 0.453 nan 8.290 nan 0.000 0.572 93 R N -0.603 119.836 120.500 -0.102 0.000 2.679 93 R HA 0.545 4.877 4.340 -0.013 0.000 0.269 93 R C 1.548 177.736 176.300 -0.187 0.000 1.076 93 R CA 0.502 56.552 56.100 -0.083 0.000 1.160 93 R CB 0.710 30.963 30.300 -0.078 0.000 1.054 93 R HN 0.917 nan 8.270 nan 0.000 0.507 94 T N -0.281 114.111 114.554 -0.270 0.000 3.058 94 T HA 0.043 4.386 4.350 -0.013 0.000 0.278 94 T C 1.120 175.450 174.700 -0.617 0.000 0.974 94 T CA -0.276 61.493 62.100 -0.552 0.000 0.893 94 T CB 0.197 68.518 68.868 -0.911 0.000 1.138 94 T HN 0.328 nan 8.240 nan 0.000 0.529 95 L N 1.820 122.912 121.223 -0.217 0.000 1.988 95 L HA 0.184 4.516 4.340 -0.013 0.000 0.207 95 L C 2.578 179.417 176.870 -0.051 0.000 1.071 95 L CA 2.238 57.092 54.840 0.023 0.000 0.744 95 L CB -0.964 41.312 42.059 0.361 0.000 0.893 95 L HN 0.402 nan 8.230 nan 0.000 0.433 96 Q N -0.566 119.203 119.800 -0.053 0.000 2.050 96 Q HA -0.269 4.063 4.340 -0.013 0.000 0.202 96 Q C 2.248 178.180 176.000 -0.113 0.000 0.980 96 Q CA 2.023 57.788 55.803 -0.064 0.000 0.840 96 Q CB -0.388 28.308 28.738 -0.070 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.424 97 N N -1.048 117.547 118.700 -0.175 0.000 2.137 97 N HA -0.166 4.566 4.740 -0.013 0.000 0.190 97 N C 1.333 176.742 175.510 -0.168 0.000 1.017 97 N CA 1.860 54.797 53.050 -0.188 0.000 0.859 97 N CB 0.017 38.356 38.487 -0.246 0.000 1.002 97 N HN 0.255 nan 8.380 nan 0.000 0.428 98 T N 1.024 115.448 114.554 -0.218 0.000 2.857 98 T HA -0.012 4.330 4.350 -0.013 0.000 0.266 98 T C 2.039 176.681 174.700 -0.097 0.000 1.048 98 T CA 0.876 62.863 62.100 -0.188 0.000 1.139 98 T CB -0.008 68.703 68.868 -0.262 0.000 0.874 98 T HN 0.269 nan 8.240 nan 0.000 0.455 99 M N 0.509 120.067 119.600 -0.069 0.000 2.132 99 M HA -0.066 4.407 4.480 -0.013 0.000 0.263 99 M C 2.464 178.734 176.300 -0.050 0.000 1.065 99 M CA 1.201 56.473 55.300 -0.046 0.000 1.122 99 M CB -0.562 32.026 32.600 -0.021 0.000 1.365 99 M HN 0.090 nan 8.290 nan 0.000 0.411 100 V N 0.957 120.847 119.914 -0.040 0.000 2.295 100 V HA -0.268 3.845 4.120 -0.013 0.000 0.246 100 V C 1.745 177.857 176.094 0.030 0.000 1.049 100 V CA 1.865 64.167 62.300 0.004 0.000 1.024 100 V CB -0.829 30.997 31.823 0.005 0.000 0.648 100 V HN 0.470 nan 8.190 nan 0.000 0.447 101 N N -0.464 118.238 118.700 0.004 0.000 2.512 101 N HA -0.029 4.703 4.740 -0.013 0.000 0.183 101 N C 0.975 176.390 175.510 -0.158 0.000 1.073 101 N CA 0.649 53.682 53.050 -0.028 0.000 0.911 101 N CB 0.037 38.516 38.487 -0.013 0.000 0.964 101 N HN 0.275 nan 8.380 nan 0.000 0.447 102 L N -0.436 120.714 121.223 -0.123 0.000 2.766 102 L HA 0.426 4.758 4.340 -0.013 0.000 0.242 102 L C 0.445 177.237 176.870 -0.129 0.000 1.136 102 L CA -0.309 54.458 54.840 -0.122 0.000 0.933 102 L CB -0.716 41.297 42.059 -0.078 0.000 1.241 102 L HN 0.066 nan 8.230 nan 0.000 0.522 103 A N -0.339 122.402 122.820 -0.131 0.000 2.791 103 A HA -0.220 4.093 4.320 -0.013 0.000 0.292 103 A C 1.035 178.565 177.584 -0.089 0.000 1.487 103 A CA 0.996 52.969 52.037 -0.106 0.000 0.760 103 A CB -1.907 17.019 19.000 -0.124 0.000 1.031 103 A HN 0.227 nan 8.150 nan 0.000 0.503 104 L N -0.988 120.183 121.223 -0.087 0.000 2.664 104 L HA 0.256 4.589 4.340 -0.013 0.000 0.233 104 L C 1.823 178.657 176.870 -0.060 0.000 1.113 104 L CA 1.528 56.309 54.840 -0.097 0.000 0.896 104 L CB -0.226 41.752 42.059 -0.136 0.000 1.163 104 L HN 0.621 nan 8.230 nan 0.000 0.497 105 E N -0.104 120.071 120.200 -0.042 0.000 2.049 105 E HA -0.260 4.082 4.350 -0.013 0.000 0.198 105 E C 1.660 178.247 176.600 -0.022 0.000 1.007 105 E CA 1.706 58.092 56.400 -0.024 0.000 0.809 105 E CB 0.227 29.916 29.700 -0.018 0.000 0.749 105 E HN 0.385 nan 8.360 nan 0.000 0.450 106 N N -0.200 118.484 118.700 -0.027 0.000 2.142 106 N HA -0.096 4.637 4.740 -0.013 0.000 0.186 106 N C 1.545 177.038 175.510 -0.028 0.000 1.023 106 N CA 1.260 54.293 53.050 -0.029 0.000 0.852 106 N CB -0.448 38.021 38.487 -0.030 0.000 0.998 106 N HN 0.243 nan 8.380 nan 0.000 0.424 107 A N 0.377 123.178 122.820 -0.031 0.000 1.883 107 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 107 A C 2.675 180.249 177.584 -0.017 0.000 1.186 107 A CA 1.471 53.492 52.037 -0.026 0.000 0.624 107 A CB -1.106 17.870 19.000 -0.039 0.000 0.822 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.920 118.369 119.300 -0.018 0.000 2.440 108 C HA -0.072 4.380 4.460 -0.013 0.000 0.278 108 C C 2.489 177.479 174.990 0.000 0.000 1.295 108 C CA 1.127 60.145 59.018 -0.000 0.000 1.738 108 C CB -1.104 26.645 27.740 0.016 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.548 120.948 120.400 -0.000 0.000 2.097 109 D HA -0.134 4.498 4.640 -0.013 0.000 0.195 109 D C 2.116 178.429 176.300 0.021 0.000 0.989 109 D CA 1.513 55.516 54.000 0.006 0.000 0.827 109 D CB -0.246 40.547 40.800 -0.012 0.000 0.966 109 D HN 0.495 nan 8.370 nan 0.000 0.456 110 E N 0.563 120.765 120.200 0.002 0.000 2.007 110 E HA -0.097 4.246 4.350 -0.013 0.000 0.194 110 E C 1.943 178.585 176.600 0.069 0.000 0.999 110 E CA 1.857 58.272 56.400 0.025 0.000 0.811 110 E CB -0.691 29.007 29.700 -0.003 0.000 0.762 110 E HN 0.168 nan 8.360 nan 0.000 0.450 111 A N -0.110 122.718 122.820 0.014 0.000 1.903 111 A HA -0.284 4.028 4.320 -0.013 0.000 0.219 111 A C 2.525 180.049 177.584 -0.101 0.000 1.191 111 A CA 3.382 55.403 52.037 -0.026 0.000 0.638 111 A CB -1.691 17.292 19.000 -0.028 0.000 0.823 111 A HN 0.568 nan 8.150 nan 0.000 0.451 112 T N -3.881 110.602 114.554 -0.117 0.000 2.867 112 T HA -0.192 4.150 4.350 -0.013 0.000 0.268 112 T C 1.801 176.418 174.700 -0.137 0.000 1.057 112 T CA 1.493 63.460 62.100 -0.222 0.000 1.136 112 T CB -0.536 68.240 68.868 -0.154 0.000 0.874 112 T HN 0.512 nan 8.240 nan 0.000 0.466 113 Y N 2.071 122.291 120.300 -0.133 0.000 2.145 113 Y HA -0.071 4.472 4.550 -0.012 0.000 0.286 113 Y C 2.673 178.511 175.900 -0.103 0.000 1.145 113 Y CA 1.534 59.575 58.100 -0.098 0.000 1.148 113 Y CB -0.493 37.928 38.460 -0.064 0.000 0.981 113 Y HN 0.201 nan 8.280 nan 0.000 0.507 114 Q N -0.767 119.006 119.800 -0.044 0.000 2.226 114 Q HA -0.144 4.188 4.340 -0.013 0.000 0.204 114 Q C 1.555 177.439 176.000 -0.193 0.000 0.975 114 Q CA 0.965 56.698 55.803 -0.117 0.000 0.866 114 Q CB -0.098 28.639 28.738 -0.002 0.000 0.915 114 Q HN 0.357 nan 8.270 nan 0.000 0.440 115 L N -0.744 120.342 121.223 -0.228 0.000 2.599 115 L HA 0.116 4.449 4.340 -0.013 0.000 0.230 115 L C 1.077 177.777 176.870 -0.282 0.000 1.141 115 L CA 1.248 55.931 54.840 -0.262 0.000 0.877 115 L CB -0.543 41.264 42.059 -0.421 0.000 1.009 115 L HN 0.330 nan 8.230 nan 0.000 0.447 116 G N -0.078 108.535 108.800 -0.312 0.000 2.182 116 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.248 116 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.248 116 G C 0.042 174.785 174.900 -0.261 0.000 1.042 116 G CA 0.427 45.344 45.100 -0.304 0.000 0.775 116 G HN 0.314 nan 8.290 nan 0.000 0.501 117 L N -0.561 120.508 121.223 -0.256 0.000 2.354 117 L HA 0.631 4.963 4.340 -0.013 0.000 0.264 117 L C -0.558 176.266 176.870 -0.077 0.000 1.008 117 L CA -1.231 53.494 54.840 -0.193 0.000 0.819 117 L CB 1.909 43.794 42.059 -0.289 0.000 1.339 117 L HN 0.070 nan 8.230 nan 0.000 0.420 118 D N 1.824 122.213 120.400 -0.019 0.000 2.396 118 D HA 0.175 4.807 4.640 -0.013 0.000 0.225 118 D C 0.692 177.019 176.300 0.046 0.000 1.121 118 D CA -0.285 53.735 54.000 0.034 0.000 0.853 118 D CB 1.464 42.290 40.800 0.044 0.000 1.043 118 D HN 0.537 nan 8.370 nan 0.000 0.500 119 M N 3.222 122.852 119.600 0.048 0.000 2.106 119 M HA -0.200 4.272 4.480 -0.013 0.000 0.259 119 M C 1.417 177.760 176.300 0.071 0.000 1.068 119 M CA 1.684 57.022 55.300 0.063 0.000 1.100 119 M CB 0.153 32.784 32.600 0.052 0.000 1.351 119 M HN 0.415 nan 8.290 nan 0.000 0.404 120 E N -0.345 119.889 120.200 0.057 0.000 2.110 120 E HA -0.264 4.078 4.350 -0.013 0.000 0.193 120 E C 1.886 178.518 176.600 0.055 0.000 0.988 120 E CA 1.500 57.931 56.400 0.051 0.000 0.804 120 E CB -0.182 29.547 29.700 0.048 0.000 0.745 120 E HN 0.655 nan 8.360 nan 0.000 0.458 121 E N 0.256 120.491 120.200 0.059 0.000 2.150 121 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 121 E C 1.827 178.465 176.600 0.065 0.000 0.985 121 E CA 0.489 56.924 56.400 0.058 0.000 0.814 121 E CB 0.215 29.951 29.700 0.060 0.000 0.752 121 E HN 0.082 nan 8.360 nan 0.000 0.466 122 L N 1.056 122.337 121.223 0.096 0.000 2.131 122 L HA -0.052 4.280 4.340 -0.013 0.000 0.206 122 L C 2.000 178.916 176.870 0.076 0.000 1.087 122 L CA 1.490 56.416 54.840 0.144 0.000 0.767 122 L CB -0.441 41.760 42.059 0.237 0.000 0.917 122 L HN 0.080 nan 8.230 nan 0.000 0.441 123 E N -0.583 119.658 120.200 0.068 0.000 2.153 123 E HA -0.196 4.147 4.350 -0.013 0.000 0.194 123 E C 1.713 178.266 176.600 -0.077 0.000 0.988 123 E CA 0.745 57.156 56.400 0.017 0.000 0.811 123 E CB 0.089 29.810 29.700 0.035 0.000 0.746 123 E HN 0.352 nan 8.360 nan 0.000 0.466 124 E N 0.041 120.214 120.200 -0.046 0.000 2.418 124 E HA -0.096 4.246 4.350 -0.013 0.000 0.197 124 E C 1.676 178.206 176.600 -0.115 0.000 1.026 124 E CA 0.507 56.880 56.400 -0.045 0.000 0.862 124 E CB 0.116 29.822 29.700 0.011 0.000 0.799 124 E HN 0.401 nan 8.360 nan 0.000 0.518 125 I N 0.665 121.102 120.570 -0.223 0.000 3.030 125 I HA -0.073 4.089 4.170 -0.013 0.000 0.270 125 I C 1.247 177.052 176.117 -0.520 0.000 1.211 125 I CA 0.126 61.233 61.300 -0.322 0.000 1.479 125 I CB 0.240 38.059 38.000 -0.302 0.000 1.105 125 I HN -0.055 nan 8.210 nan 0.000 0.447 126 E N 2.435 122.233 120.200 -0.671 0.000 2.366 126 E HA -0.046 4.296 4.350 -0.013 0.000 0.266 126 E C 0.011 176.509 176.600 -0.171 0.000 1.015 126 E CA -0.148 55.906 56.400 -0.578 0.000 0.906 126 E CB 0.603 30.069 29.700 -0.389 0.000 0.979 126 E HN 0.103 nan 8.360 nan 0.000 0.443 127 E N 3.104 123.287 120.200 -0.028 0.000 2.366 127 E HA 0.061 4.403 4.350 -0.013 0.000 0.266 127 E C -1.097 175.601 176.600 0.163 0.000 1.051 127 E CA -0.352 56.118 56.400 0.116 0.000 0.884 127 E CB 0.788 30.634 29.700 0.243 0.000 1.006 127 E HN 0.387 nan 8.360 nan 0.000 0.417 128 D N 1.639 122.118 120.400 0.133 0.000 2.389 128 D HA 0.264 4.897 4.640 -0.013 0.000 0.247 128 D C -0.856 175.491 176.300 0.078 0.000 1.128 128 D CA 0.199 54.251 54.000 0.086 0.000 0.884 128 D CB 1.069 41.902 40.800 0.055 0.000 1.194 128 D HN 0.441 nan 8.370 nan 0.000 0.441 129 A N 2.528 125.350 122.820 0.002 0.000 2.922 129 A HA 0.446 4.758 4.320 -0.013 0.000 0.298 129 A C 1.050 178.506 177.584 -0.213 0.000 1.588 129 A CA -0.477 51.403 52.037 -0.262 0.000 1.288 129 A CB -0.390 18.526 19.000 -0.141 0.000 1.130 129 A HN 0.543 nan 8.150 nan 0.000 0.557 130 G N 1.595 110.233 108.800 -0.270 0.000 3.455 130 G HA2 0.373 4.326 3.960 -0.013 0.000 0.250 130 G HA3 0.373 4.326 3.960 -0.013 0.000 0.250 130 G C 0.326 175.010 174.900 -0.360 0.000 1.071 130 G CA -0.273 44.733 45.100 -0.157 0.000 1.812 130 G HN 0.687 nan 8.290 nan 0.000 0.643 131 L N 1.401 122.458 121.223 -0.278 0.000 2.955 131 L HA 0.413 4.745 4.340 -0.013 0.000 0.238 131 L C 0.986 177.769 176.870 -0.145 0.000 1.359 131 L CA -0.279 54.480 54.840 -0.135 0.000 1.214 131 L CB -0.400 41.703 42.059 0.074 0.000 1.600 131 L HN 0.297 nan 8.230 nan 0.000 0.442 132 G N -1.110 107.379 108.800 -0.520 0.000 2.646 132 G HA2 0.196 4.148 3.960 -0.013 0.000 0.291 132 G HA3 0.196 4.148 3.960 -0.013 0.000 0.291 132 G C -0.231 174.166 174.900 -0.839 0.000 1.445 132 G CA -0.466 44.284 45.100 -0.582 0.000 0.814 132 G HN -0.036 nan 8.290 nan 0.000 0.495 133 N N -0.802 117.645 118.700 -0.422 0.000 2.436 133 N HA 0.207 4.939 4.740 -0.013 0.000 0.178 133 N C 1.198 176.673 175.510 -0.058 0.000 1.026 133 N CA 1.297 54.200 53.050 -0.244 0.000 0.880 133 N CB 1.224 39.677 38.487 -0.057 0.000 1.061 133 N HN 0.793 nan 8.380 nan 0.000 0.434 134 G N -0.594 108.257 108.800 0.084 0.000 3.074 134 G HA2 0.211 4.163 3.960 -0.013 0.000 0.127 134 G HA3 0.211 4.163 3.960 -0.013 0.000 0.127 134 G C 0.773 175.796 174.900 0.204 0.000 1.216 134 G CA 0.309 45.552 45.100 0.239 0.000 1.390 134 G HN 0.201 nan 8.290 nan 0.000 0.676 135 G N 0.578 109.444 108.800 0.111 0.000 2.514 135 G HA2 -0.134 3.819 3.960 -0.013 0.000 0.217 135 G HA3 -0.134 3.819 3.960 -0.013 0.000 0.217 135 G C 1.910 176.818 174.900 0.014 0.000 1.198 135 G CA 1.564 46.696 45.100 0.053 0.000 0.780 135 G HN 0.815 nan 8.290 nan 0.000 0.565 136 L N 0.750 121.957 121.223 -0.027 0.000 1.990 136 L HA -0.023 4.310 4.340 -0.013 0.000 0.213 136 L C 2.896 179.712 176.870 -0.091 0.000 1.072 136 L CA 2.361 57.110 54.840 -0.152 0.000 0.755 136 L CB -0.700 41.233 42.059 -0.210 0.000 0.889 136 L HN 0.269 nan 8.230 nan 0.000 0.432 137 G N -0.867 107.931 108.800 -0.004 0.000 2.418 137 G HA2 -0.273 3.679 3.960 -0.013 0.000 0.217 137 G HA3 -0.273 3.679 3.960 -0.013 0.000 0.217 137 G C 1.701 176.681 174.900 0.133 0.000 1.158 137 G CA 0.444 45.568 45.100 0.040 0.000 0.771 137 G HN 0.214 nan 8.290 nan 0.000 0.545 138 R N -0.023 120.592 120.500 0.192 0.000 2.115 138 R HA 0.081 4.413 4.340 -0.013 0.000 0.230 138 R C 2.505 178.825 176.300 0.033 0.000 1.111 138 R CA 0.753 56.938 56.100 0.141 0.000 0.976 138 R CB -0.882 29.464 30.300 0.077 0.000 0.870 138 R HN 0.419 nan 8.270 nan 0.000 0.445 139 L N 0.646 121.821 121.223 -0.080 0.000 2.012 139 L HA -0.114 4.218 4.340 -0.013 0.000 0.210 139 L C 2.233 178.843 176.870 -0.434 0.000 1.073 139 L CA 2.241 56.900 54.840 -0.301 0.000 0.748 139 L CB -0.730 41.102 42.059 -0.377 0.000 0.891 139 L HN 0.171 nan 8.230 nan 0.000 0.431 140 A N -0.602 122.071 122.820 -0.246 0.000 1.940 140 A HA -0.183 4.129 4.320 -0.013 0.000 0.219 140 A C 2.431 180.077 177.584 0.103 0.000 1.176 140 A CA 1.976 53.939 52.037 -0.123 0.000 0.631 140 A CB -1.173 17.735 19.000 -0.153 0.000 0.814 140 A HN 0.592 nan 8.150 nan 0.000 0.446 141 A N -1.230 121.685 122.820 0.159 0.000 1.898 141 A HA -0.130 4.182 4.320 -0.013 0.000 0.216 141 A C 2.297 179.964 177.584 0.139 0.000 1.181 141 A CA 1.605 53.759 52.037 0.196 0.000 0.620 141 A CB -1.173 17.930 19.000 0.171 0.000 0.819 141 A HN 0.599 nan 8.150 nan 0.000 0.442 142 C N -1.565 117.819 119.300 0.139 0.000 2.440 142 C HA -0.018 4.434 4.460 -0.013 0.000 0.278 142 C C 2.398 177.557 174.990 0.283 0.000 1.295 142 C CA 0.452 59.591 59.018 0.201 0.000 1.738 142 C CB -1.578 26.306 27.740 0.239 0.000 1.987 142 C HN 0.602 nan 8.230 nan 0.000 0.492 143 F N 0.748 120.682 119.950 -0.026 0.000 2.095 143 F HA -0.109 4.410 4.527 -0.013 0.000 0.298 143 F C 2.147 177.892 175.800 -0.092 0.000 1.104 143 F CA 1.144 59.076 58.000 -0.114 0.000 1.232 143 F CB -1.441 37.352 39.000 -0.344 0.000 0.987 143 F HN 0.080 nan 8.300 nan 0.000 0.475 144 L N 0.453 121.759 121.223 0.140 0.000 1.990 144 L HA -0.262 4.070 4.340 -0.013 0.000 0.213 144 L C 2.444 179.331 176.870 0.030 0.000 1.072 144 L CA 2.086 56.964 54.840 0.064 0.000 0.755 144 L CB -1.331 40.775 42.059 0.079 0.000 0.889 144 L HN 0.217 nan 8.230 nan 0.000 0.432 145 D N -1.363 119.061 120.400 0.041 0.000 2.149 145 D HA -0.171 4.461 4.640 -0.013 0.000 0.198 145 D C 1.898 178.214 176.300 0.028 0.000 0.990 145 D CA 1.551 55.559 54.000 0.014 0.000 0.839 145 D CB 0.410 41.215 40.800 0.008 0.000 0.948 145 D HN 0.327 nan 8.370 nan 0.000 0.460 146 S N -0.277 115.453 115.700 0.051 0.000 2.387 146 S HA -0.020 4.442 4.470 -0.013 0.000 0.226 146 S C 2.103 176.711 174.600 0.015 0.000 1.026 146 S CA 0.583 58.803 58.200 0.034 0.000 0.972 146 S CB -0.060 63.161 63.200 0.036 0.000 0.814 146 S HN 0.333 nan 8.310 nan 0.000 0.477 147 M N 0.902 120.504 119.600 0.003 0.000 2.229 147 M HA -0.064 4.408 4.480 -0.013 0.000 0.264 147 M C 2.353 178.653 176.300 -0.000 0.000 1.063 147 M CA 1.258 56.558 55.300 0.000 0.000 1.114 147 M CB -0.409 32.176 32.600 -0.025 0.000 1.387 147 M HN 0.388 nan 8.290 nan 0.000 0.420 148 A N -0.378 122.440 122.820 -0.002 0.000 1.897 148 A HA -0.094 4.218 4.320 -0.013 0.000 0.215 148 A C 2.140 179.736 177.584 0.020 0.000 1.181 148 A CA 1.807 53.845 52.037 0.001 0.000 0.620 148 A CB -0.954 18.032 19.000 -0.023 0.000 0.821 148 A HN 0.389 nan 8.150 nan 0.000 0.443 149 T N 0.270 114.842 114.554 0.029 0.000 2.915 149 T HA 0.035 4.378 4.350 -0.013 0.000 0.269 149 T C 1.288 176.015 174.700 0.045 0.000 1.071 149 T CA 0.939 63.070 62.100 0.052 0.000 1.132 149 T CB -0.235 68.674 68.868 0.068 0.000 0.878 149 T HN 0.322 nan 8.240 nan 0.000 0.479 150 L N 0.415 121.660 121.223 0.037 0.000 2.653 150 L HA 0.301 4.633 4.340 -0.013 0.000 0.231 150 L C 1.569 178.464 176.870 0.042 0.000 1.153 150 L CA -0.100 54.763 54.840 0.038 0.000 0.933 150 L CB -0.338 41.743 42.059 0.037 0.000 1.175 150 L HN 0.388 nan 8.230 nan 0.000 0.473 151 G N 1.327 110.154 108.800 0.044 0.000 2.273 151 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.280 151 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.280 151 G C 0.039 174.971 174.900 0.053 0.000 1.047 151 G CA 0.057 45.196 45.100 0.065 0.000 0.869 151 G HN 0.282 nan 8.290 nan 0.000 0.502 152 L N -0.214 121.013 121.223 0.007 0.000 2.334 152 L HA 0.626 4.958 4.340 -0.013 0.000 0.277 152 L C 1.202 177.932 176.870 -0.233 0.000 1.075 152 L CA -0.428 54.366 54.840 -0.075 0.000 0.804 152 L CB 1.694 43.728 42.059 -0.040 0.000 1.174 152 L HN 0.262 nan 8.230 nan 0.000 0.438 153 A N 3.111 125.651 122.820 -0.466 0.000 3.026 153 A HA 0.550 4.862 4.320 -0.013 0.000 0.272 153 A C 0.348 177.568 177.584 -0.608 0.000 1.782 153 A CA -0.131 51.346 52.037 -0.932 0.000 1.451 153 A CB -0.703 17.679 19.000 -1.030 0.000 1.081 153 A HN 0.695 nan 8.150 nan 0.000 0.611 154 A N 1.256 123.774 122.820 -0.503 0.000 2.340 154 A HA 0.798 5.110 4.320 -0.013 0.000 0.331 154 A C -0.994 176.325 177.584 -0.441 0.000 1.140 154 A CA -0.477 51.326 52.037 -0.389 0.000 0.801 154 A CB 0.766 19.618 19.000 -0.246 0.000 1.234 154 A HN 0.601 nan 8.150 nan 0.000 0.469 155 Y N 0.244 120.514 120.300 -0.050 0.000 2.361 155 Y HA 0.538 5.081 4.550 -0.013 0.000 0.337 155 Y C 0.835 176.871 175.900 0.227 0.000 0.965 155 Y CA -0.592 57.566 58.100 0.095 0.000 1.091 155 Y CB 2.360 40.983 38.460 0.272 0.000 1.182 155 Y HN 0.818 nan 8.280 nan 0.000 0.450 156 G N 2.346 111.270 108.800 0.207 0.000 2.325 156 G HA2 0.430 4.383 3.960 -0.013 0.000 0.298 156 G HA3 0.430 4.383 3.960 -0.013 0.000 0.298 156 G C -1.693 173.265 174.900 0.097 0.000 1.134 156 G CA -0.241 45.007 45.100 0.247 0.000 0.876 156 G HN 0.539 nan 8.290 nan 0.000 0.452 157 Y N 1.368 121.908 120.300 0.401 0.000 2.341 157 Y HA 0.618 5.161 4.550 -0.013 0.000 0.338 157 Y C 0.797 176.999 175.900 0.503 0.000 0.965 157 Y CA 0.240 58.536 58.100 0.326 0.000 1.108 157 Y CB 2.602 41.281 38.460 0.364 0.000 1.180 157 Y HN 0.838 nan 8.280 nan 0.000 0.458 158 G N 2.546 111.651 108.800 0.508 0.000 2.871 158 G HA2 0.573 4.525 3.960 -0.013 0.000 0.282 158 G HA3 0.573 4.525 3.960 -0.013 0.000 0.282 158 G C -1.705 173.444 174.900 0.416 0.000 1.212 158 G CA -0.788 44.660 45.100 0.581 0.000 0.812 158 G HN 0.415 nan 8.290 nan 0.000 0.547 159 I N 0.713 121.435 120.570 0.254 0.000 2.433 159 I HA 0.413 4.576 4.170 -0.013 0.000 0.292 159 I C 0.079 176.107 176.117 -0.149 0.000 1.001 159 I CA -0.703 60.629 61.300 0.053 0.000 1.119 159 I CB 2.210 40.044 38.000 -0.276 0.000 1.289 159 I HN 0.382 nan 8.210 nan 0.000 0.438 160 R N 6.416 126.918 120.500 0.003 0.000 2.608 160 R HA 0.241 4.574 4.340 -0.013 0.000 0.277 160 R C -1.277 175.060 176.300 0.061 0.000 1.341 160 R CA -0.419 55.711 56.100 0.050 0.000 1.199 160 R CB -0.040 30.263 30.300 0.005 0.000 1.156 160 R HN 0.384 nan 8.270 nan 0.000 0.558 161 Y N 1.775 122.221 120.300 0.244 0.000 2.425 161 Y HA -0.031 4.511 4.550 -0.013 0.000 0.331 161 Y C 1.474 177.544 175.900 0.283 0.000 1.157 161 Y CA -0.091 58.141 58.100 0.220 0.000 1.372 161 Y CB 0.936 39.504 38.460 0.181 0.000 1.253 161 Y HN 0.564 nan 8.280 nan 0.000 0.536 162 E N 1.354 121.716 120.200 0.271 0.000 2.435 162 E HA 0.045 4.388 4.350 -0.013 0.000 0.195 162 E C -0.801 175.679 176.600 -0.201 0.000 1.029 162 E CA 0.446 56.837 56.400 -0.014 0.000 0.865 162 E CB 0.086 29.584 29.700 -0.337 0.000 0.833 162 E HN 0.446 nan 8.360 nan 0.000 0.510 163 F N 1.058 121.246 119.950 0.397 0.000 2.553 163 F HA 0.457 4.976 4.527 -0.013 0.000 0.335 163 F C 0.857 176.742 175.800 0.142 0.000 1.148 163 F CA -1.125 57.048 58.000 0.289 0.000 0.963 163 F CB 2.049 41.151 39.000 0.170 0.000 1.217 163 F HN -0.059 nan 8.300 nan 0.000 0.441 164 G N 1.969 110.882 108.800 0.188 0.000 2.546 164 G HA2 0.305 4.257 3.960 -0.013 0.000 0.239 164 G HA3 0.305 4.257 3.960 -0.013 0.000 0.239 164 G C -0.481 174.377 174.900 -0.069 0.000 1.476 164 G CA -0.627 44.422 45.100 -0.086 0.000 1.064 164 G HN 0.519 nan 8.290 nan 0.000 0.561 165 I N 0.876 121.328 120.570 -0.196 0.000 2.710 165 I HA 0.238 4.400 4.170 -0.013 0.000 0.286 165 I C 0.555 176.587 176.117 -0.142 0.000 1.181 165 I CA -1.092 60.066 61.300 -0.237 0.000 1.430 165 I CB -0.183 37.577 38.000 -0.401 0.000 1.367 165 I HN 0.339 nan 8.210 nan 0.000 0.577 166 F N 6.350 126.310 119.950 0.016 0.000 2.589 166 F HA 0.242 4.761 4.527 -0.013 0.000 0.352 166 F C 0.416 176.264 175.800 0.081 0.000 1.168 166 F CA -0.492 57.538 58.000 0.051 0.000 1.353 166 F CB -0.263 38.755 39.000 0.030 0.000 1.116 166 F HN 0.427 nan 8.300 nan 0.000 0.608 167 N N 2.168 121.074 118.700 0.344 0.000 2.472 167 N HA 0.073 4.805 4.740 -0.013 0.000 0.277 167 N C -0.900 174.862 175.510 0.420 0.000 1.081 167 N CA -0.356 52.855 53.050 0.267 0.000 0.973 167 N CB 1.315 39.939 38.487 0.228 0.000 1.105 167 N HN 0.767 nan 8.380 nan 0.000 0.470 168 Q N 2.412 122.427 119.800 0.358 0.000 2.256 168 Q HA 0.203 4.535 4.340 -0.013 0.000 0.254 168 Q C -0.992 175.183 176.000 0.292 0.000 0.916 168 Q CA -0.277 55.771 55.803 0.408 0.000 0.932 168 Q CB 0.778 29.761 28.738 0.408 0.000 1.207 168 Q HN 0.266 nan 8.270 nan 0.000 0.426 169 K N 4.460 125.006 120.400 0.242 0.000 2.324 169 K HA 0.440 4.753 4.320 -0.013 0.000 0.253 169 K C -0.867 175.833 176.600 0.166 0.000 0.932 169 K CA -0.931 55.472 56.287 0.195 0.000 0.799 169 K CB 1.588 34.180 32.500 0.153 0.000 1.154 169 K HN 0.629 nan 8.250 nan 0.000 0.425 170 I N 2.698 123.361 120.570 0.155 0.000 2.312 170 I HA 0.197 4.360 4.170 -0.013 0.000 0.290 170 I C -0.118 176.061 176.117 0.102 0.000 1.008 170 I CA -0.689 60.673 61.300 0.104 0.000 1.226 170 I CB 0.609 38.649 38.000 0.067 0.000 1.371 170 I HN 0.468 nan 8.210 nan 0.000 0.468 171 C N 4.203 123.575 119.300 0.121 0.000 2.322 171 C HA 0.584 5.037 4.460 -0.013 0.000 0.324 171 C C 1.161 176.258 174.990 0.178 0.000 1.249 171 C CA -0.268 58.825 59.018 0.125 0.000 1.453 171 C CB 0.463 28.269 27.740 0.111 0.000 2.145 171 C HN 1.086 nan 8.230 nan 0.000 0.466 172 G N 2.753 111.630 108.800 0.128 0.000 2.225 172 G HA2 0.079 4.031 3.960 -0.013 0.000 0.267 172 G HA3 0.079 4.031 3.960 -0.013 0.000 0.267 172 G C 1.101 176.028 174.900 0.046 0.000 1.024 172 G CA 1.028 46.213 45.100 0.142 0.000 0.784 172 G HN 2.344 nan 8.290 nan 0.000 0.507 173 G N -2.924 105.847 108.800 -0.049 0.000 2.205 173 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.261 173 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.261 173 G C 0.415 175.089 174.900 -0.376 0.000 0.980 173 G CA 0.682 45.626 45.100 -0.260 0.000 0.632 173 G HN 1.179 nan 8.290 nan 0.000 0.533 174 W N 0.759 122.008 121.300 -0.085 0.000 2.516 174 W HA 0.673 5.325 4.660 -0.013 0.000 0.343 174 W C 0.665 177.135 176.519 -0.082 0.000 1.094 174 W CA -0.808 56.481 57.345 -0.094 0.000 1.250 174 W CB 0.751 30.171 29.460 -0.066 0.000 1.308 174 W HN 0.251 nan 8.180 nan 0.000 0.588 175 Q N 2.434 122.351 119.800 0.195 0.000 2.288 175 Q HA 0.319 4.651 4.340 -0.013 0.000 0.254 175 Q C -0.735 175.325 176.000 0.100 0.000 0.932 175 Q CA -0.057 55.819 55.803 0.122 0.000 0.902 175 Q CB 0.640 29.444 28.738 0.110 0.000 1.203 175 Q HN 0.289 nan 8.270 nan 0.000 0.415 176 M N 3.156 122.807 119.600 0.084 0.000 2.321 176 M HA 0.380 4.853 4.480 -0.013 0.000 0.315 176 M C -1.233 175.067 176.300 0.001 0.000 1.052 176 M CA -0.624 54.692 55.300 0.026 0.000 0.936 176 M CB 1.713 34.345 32.600 0.053 0.000 1.639 176 M HN 0.631 nan 8.290 nan 0.000 0.433 177 E N 1.854 121.973 120.200 -0.134 0.000 2.204 177 E HA 0.541 4.883 4.350 -0.013 0.000 0.276 177 E C -0.587 175.978 176.600 -0.059 0.000 0.974 177 E CA -0.561 55.703 56.400 -0.226 0.000 0.815 177 E CB 1.761 31.034 29.700 -0.713 0.000 1.119 177 E HN 0.539 nan 8.360 nan 0.000 0.393 178 E N 1.229 121.476 120.200 0.077 0.000 2.321 178 E HA 0.605 4.947 4.350 -0.013 0.000 0.278 178 E C -1.254 175.422 176.600 0.125 0.000 0.902 178 E CA -1.282 55.162 56.400 0.073 0.000 0.758 178 E CB 1.303 31.058 29.700 0.092 0.000 1.213 178 E HN 0.528 nan 8.360 nan 0.000 0.426 179 A N 2.913 125.757 122.820 0.041 0.000 2.587 179 A HA 0.004 4.317 4.320 -0.013 0.000 0.235 179 A C 0.066 177.785 177.584 0.225 0.000 1.044 179 A CA 0.788 52.845 52.037 0.033 0.000 0.754 179 A CB -0.063 18.799 19.000 -0.230 0.000 0.968 179 A HN 0.688 nan 8.150 nan 0.000 0.509 180 D N 1.732 122.346 120.400 0.355 0.000 2.500 180 D HA 0.175 4.808 4.640 -0.013 0.000 0.219 180 D C -0.495 176.166 176.300 0.603 0.000 1.137 180 D CA -0.262 53.979 54.000 0.402 0.000 0.946 180 D CB 0.332 41.308 40.800 0.293 0.000 1.022 180 D HN 0.362 nan 8.370 nan 0.000 0.518 181 D N 3.883 124.606 120.400 0.538 0.000 2.688 181 D HA -0.034 4.598 4.640 -0.013 0.000 0.228 181 D C 1.086 177.576 176.300 0.317 0.000 1.116 181 D CA -0.502 53.758 54.000 0.432 0.000 1.023 181 D CB -0.119 40.909 40.800 0.380 0.000 1.100 181 D HN 0.594 nan 8.370 nan 0.000 0.487 182 W N 2.395 123.768 121.300 0.122 0.000 2.611 182 W HA -0.049 4.604 4.660 -0.013 0.000 0.251 182 W C 0.255 176.847 176.519 0.123 0.000 1.265 182 W CA 0.049 57.472 57.345 0.129 0.000 1.295 182 W CB -0.777 28.754 29.460 0.119 0.000 1.129 182 W HN 0.201 nan 8.180 nan 0.000 0.630 183 L N 0.796 121.700 121.223 -0.532 0.000 2.585 183 L HA 0.167 4.500 4.340 -0.013 0.000 0.226 183 L C 2.765 179.509 176.870 -0.211 0.000 1.113 183 L CA 0.024 54.523 54.840 -0.568 0.000 0.876 183 L CB -0.657 40.938 42.059 -0.774 0.000 1.072 183 L HN -0.120 nan 8.230 nan 0.000 0.468 184 R N 0.773 121.220 120.500 -0.089 0.000 2.159 184 R HA -0.265 4.068 4.340 -0.013 0.000 0.252 184 R C 1.343 177.522 176.300 -0.202 0.000 1.144 184 R CA 2.323 58.359 56.100 -0.107 0.000 0.961 184 R CB -0.269 30.018 30.300 -0.022 0.000 0.877 184 R HN 0.343 nan 8.270 nan 0.000 0.444 185 Y N -0.822 119.498 120.300 0.033 0.000 2.458 185 Y HA 0.332 4.875 4.550 -0.013 0.000 0.256 185 Y C 0.752 176.656 175.900 0.006 0.000 1.159 185 Y CA 0.306 58.434 58.100 0.048 0.000 1.261 185 Y CB 1.303 39.892 38.460 0.215 0.000 1.119 185 Y HN 0.460 nan 8.280 nan 0.000 0.524 186 G N 1.409 110.269 108.800 0.100 0.000 2.663 186 G HA2 -0.208 3.744 3.960 -0.013 0.000 0.686 186 G HA3 -0.208 3.744 3.960 -0.013 0.000 0.686 186 G C -1.355 173.625 174.900 0.133 0.000 1.246 186 G CA -0.876 44.246 45.100 0.036 0.000 0.795 186 G HN 0.193 nan 8.290 nan 0.000 0.627 187 N N 1.329 120.049 118.700 0.033 0.000 2.623 187 N HA 0.522 5.254 4.740 -0.013 0.000 0.256 187 N C -0.832 174.675 175.510 -0.006 0.000 1.045 187 N CA -2.040 51.045 53.050 0.058 0.000 0.863 187 N CB 1.955 40.418 38.487 -0.039 0.000 1.182 187 N HN 0.244 nan 8.380 nan 0.000 0.523 188 P HA -0.003 nan 4.420 nan 0.000 0.234 188 P C 0.517 177.454 177.300 -0.605 0.000 1.167 188 P CA 0.724 63.499 63.100 -0.543 0.000 0.763 188 P CB 0.067 31.160 31.700 -1.010 0.000 0.835 189 W N 1.606 122.922 121.300 0.026 0.000 2.588 189 W HA 0.073 4.726 4.660 -0.013 0.000 0.277 189 W C 1.374 177.941 176.519 0.080 0.000 1.221 189 W CA -0.333 57.025 57.345 0.021 0.000 1.355 189 W CB -0.303 29.168 29.460 0.019 0.000 1.083 189 W HN -0.054 nan 8.180 nan 0.000 0.581 190 E N 1.949 122.332 120.200 0.306 0.000 2.374 190 E HA 0.237 4.579 4.350 -0.013 0.000 0.260 190 E C -0.557 176.219 176.600 0.295 0.000 1.101 190 E CA -0.465 56.122 56.400 0.313 0.000 0.907 190 E CB 1.105 30.997 29.700 0.320 0.000 1.014 190 E HN -0.304 nan 8.360 nan 0.000 0.427 191 K N 1.315 121.907 120.400 0.320 0.000 2.604 191 K HA 0.395 4.707 4.320 -0.013 0.000 0.247 191 K C -1.231 175.412 176.600 0.072 0.000 0.956 191 K CA -0.397 56.014 56.287 0.205 0.000 0.896 191 K CB 1.433 34.063 32.500 0.217 0.000 1.131 191 K HN 0.661 nan 8.250 nan 0.000 0.440 192 A N 4.145 126.923 122.820 -0.070 0.000 2.511 192 A HA 0.310 4.623 4.320 -0.013 0.000 0.242 192 A C -0.243 177.157 177.584 -0.306 0.000 1.069 192 A CA -0.007 51.723 52.037 -0.512 0.000 0.763 192 A CB 0.201 18.901 19.000 -0.500 0.000 1.001 192 A HN 0.672 nan 8.150 nan 0.000 0.498 193 R N 3.422 123.730 120.500 -0.319 0.000 2.748 193 R HA 0.201 4.533 4.340 -0.013 0.000 0.283 193 R C -2.348 173.839 176.300 -0.188 0.000 1.507 193 R CA -1.583 54.419 56.100 -0.164 0.000 1.666 193 R CB 0.866 31.238 30.300 0.121 0.000 1.237 193 R HN 0.580 nan 8.270 nan 0.000 0.633 194 P HA -0.186 nan 4.420 nan 0.000 0.219 194 P C 0.903 178.103 177.300 -0.166 0.000 1.146 194 P CA 1.145 64.158 63.100 -0.145 0.000 0.808 194 P CB 0.359 31.982 31.700 -0.128 0.000 0.779 195 E N 0.020 120.009 120.200 -0.351 0.000 2.409 195 E HA -0.128 4.214 4.350 -0.013 0.000 0.198 195 E C 0.778 177.125 176.600 -0.422 0.000 1.024 195 E CA 0.715 56.846 56.400 -0.448 0.000 0.861 195 E CB -0.950 28.348 29.700 -0.669 0.000 0.788 195 E HN 0.377 nan 8.360 nan 0.000 0.521 196 F N 1.540 121.504 119.950 0.022 0.000 2.708 196 F HA 0.235 4.755 4.527 -0.013 0.000 0.300 196 F C 0.535 176.425 175.800 0.149 0.000 1.118 196 F CA -0.703 57.340 58.000 0.071 0.000 1.307 196 F CB 0.664 39.701 39.000 0.061 0.000 0.986 196 F HN -0.280 nan 8.300 nan 0.000 0.522 197 T N 2.905 117.595 114.554 0.226 0.000 2.940 197 T HA 0.212 4.554 4.350 -0.013 0.000 0.309 197 T C -0.221 174.589 174.700 0.183 0.000 1.056 197 T CA 0.378 62.614 62.100 0.227 0.000 1.137 197 T CB 0.795 69.746 68.868 0.138 0.000 0.976 197 T HN -0.119 nan 8.240 nan 0.000 0.547 198 L N 4.940 126.246 121.223 0.139 0.000 2.333 198 L HA 0.626 4.958 4.340 -0.013 0.000 0.263 198 L C -2.280 174.565 176.870 -0.042 0.000 1.014 198 L CA -2.596 52.254 54.840 0.017 0.000 0.820 198 L CB 1.953 43.954 42.059 -0.097 0.000 1.352 198 L HN 0.389 nan 8.230 nan 0.000 0.421 199 P HA 0.445 nan 4.420 nan 0.000 0.292 199 P C -1.294 175.872 177.300 -0.223 0.000 1.283 199 P CA -0.503 62.520 63.100 -0.129 0.000 0.835 199 P CB 2.023 33.644 31.700 -0.132 0.000 1.017 200 V N 3.865 123.630 119.914 -0.248 0.000 2.588 200 V HA 0.324 4.436 4.120 -0.013 0.000 0.304 200 V C 0.134 175.976 176.094 -0.420 0.000 1.042 200 V CA -0.609 61.527 62.300 -0.274 0.000 0.877 200 V CB 1.502 33.242 31.823 -0.139 0.000 0.996 200 V HN 0.612 nan 8.190 nan 0.000 0.425 201 H N 3.895 122.774 119.070 -0.319 0.000 2.483 201 H HA 0.638 5.186 4.556 -0.013 0.000 0.338 201 H C -1.311 173.599 175.328 -0.698 0.000 1.152 201 H CA -0.163 55.586 56.048 -0.498 0.000 1.264 201 H CB 1.890 31.121 29.762 -0.884 0.000 1.510 201 H HN 0.471 nan 8.280 nan 0.000 0.530 202 F N -0.192 119.750 119.950 -0.015 0.000 2.613 202 F HA 0.193 4.712 4.527 -0.013 0.000 0.310 202 F C -0.379 175.485 175.800 0.105 0.000 1.085 202 F CA -0.588 57.413 58.000 0.002 0.000 0.945 202 F CB 1.108 40.040 39.000 -0.113 0.000 1.298 202 F HN 0.563 nan 8.300 nan 0.000 0.455 203 Y N 0.304 120.858 120.300 0.424 0.000 2.896 203 Y HA -0.014 4.528 4.550 -0.013 0.000 0.466 203 Y C 1.384 177.493 175.900 0.349 0.000 1.197 203 Y CA 0.653 58.930 58.100 0.295 0.000 2.513 203 Y CB -1.918 36.641 38.460 0.166 0.000 1.232 203 Y HN 1.328 nan 8.280 nan 0.000 0.632 204 G N 0.753 109.784 108.800 0.384 0.000 2.598 204 G HA2 0.105 4.058 3.960 -0.013 0.000 0.244 204 G HA3 0.105 4.058 3.960 -0.013 0.000 0.244 204 G C -0.513 174.576 174.900 0.316 0.000 1.302 204 G CA 0.975 46.222 45.100 0.247 0.000 0.903 204 G HN 1.378 nan 8.290 nan 0.000 0.575 205 R N -2.561 118.123 120.500 0.305 0.000 2.766 205 R HA 0.707 5.040 4.340 -0.013 0.000 0.270 205 R C -1.548 174.884 176.300 0.219 0.000 1.035 205 R CA -0.866 55.369 56.100 0.225 0.000 0.911 205 R CB 1.244 31.622 30.300 0.131 0.000 1.243 205 R HN 0.945 nan 8.270 nan 0.000 0.460 206 V N 1.081 121.043 119.914 0.079 0.000 2.398 206 V HA 0.350 4.462 4.120 -0.013 0.000 0.286 206 V C -0.266 175.765 176.094 -0.105 0.000 1.026 206 V CA -0.540 61.735 62.300 -0.042 0.000 0.868 206 V CB 1.390 33.113 31.823 -0.166 0.000 0.982 206 V HN 0.664 nan 8.190 nan 0.000 0.443 207 E N 3.238 123.363 120.200 -0.126 0.000 2.166 207 E HA 0.399 4.742 4.350 -0.013 0.000 0.275 207 E C -0.978 175.503 176.600 -0.198 0.000 0.941 207 E CA -0.694 55.652 56.400 -0.090 0.000 0.784 207 E CB 1.057 30.748 29.700 -0.014 0.000 1.115 207 E HN 0.646 nan 8.360 nan 0.000 0.399 208 H N 2.486 121.571 119.070 0.025 0.000 2.724 208 H HA 0.178 4.727 4.556 -0.013 0.000 0.278 208 H C -0.354 174.984 175.328 0.016 0.000 1.159 208 H CA -0.213 55.845 56.048 0.016 0.000 1.254 208 H CB 0.696 30.463 29.762 0.008 0.000 1.412 208 H HN 0.428 nan 8.280 nan 0.000 0.488 209 T N -0.033 114.576 114.554 0.093 0.000 2.824 209 T HA 0.288 4.630 4.350 -0.013 0.000 0.282 209 T C 1.154 175.888 174.700 0.056 0.000 0.993 209 T CA -0.213 61.926 62.100 0.066 0.000 0.967 209 T CB 1.924 70.816 68.868 0.041 0.000 0.960 209 T HN 0.520 nan 8.240 nan 0.000 0.441 210 S N 2.685 118.413 115.700 0.048 0.000 2.746 210 S HA -0.376 4.087 4.470 -0.013 0.000 0.526 210 S C 0.947 175.569 174.600 0.038 0.000 0.959 210 S CA 1.953 60.175 58.200 0.037 0.000 3.281 210 S CB -1.378 61.839 63.200 0.029 0.000 2.286 210 S HN 0.855 nan 8.310 nan 0.000 0.525 211 Q N 2.820 122.642 119.800 0.036 0.000 2.819 211 Q HA 0.568 4.900 4.340 -0.013 0.000 0.392 211 Q C 0.222 176.246 176.000 0.039 0.000 1.088 211 Q CA 0.796 56.620 55.803 0.035 0.000 1.062 211 Q CB 0.471 29.226 28.738 0.028 0.000 1.369 211 Q HN 0.976 nan 8.270 nan 0.000 0.434 212 G N -0.436 108.396 108.800 0.055 0.000 2.406 212 G HA2 0.284 4.236 3.960 -0.013 0.000 0.680 212 G HA3 0.284 4.236 3.960 -0.013 0.000 0.680 212 G C -1.130 173.800 174.900 0.050 0.000 1.338 212 G CA -0.632 44.502 45.100 0.057 0.000 0.941 212 G HN 0.449 nan 8.290 nan 0.000 0.633 213 A N 0.360 123.196 122.820 0.027 0.000 2.286 213 A HA 0.851 5.163 4.320 -0.013 0.000 0.286 213 A C 0.347 177.887 177.584 -0.074 0.000 1.097 213 A CA -0.045 51.934 52.037 -0.096 0.000 0.821 213 A CB 0.904 19.802 19.000 -0.170 0.000 1.076 213 A HN 0.778 nan 8.150 nan 0.000 0.490 214 K N 0.525 120.869 120.400 -0.093 0.000 2.507 214 K HA 0.183 4.496 4.320 -0.013 0.000 0.251 214 K C -1.835 174.802 176.600 0.063 0.000 0.943 214 K CA -0.373 55.907 56.287 -0.010 0.000 0.794 214 K CB 1.850 34.347 32.500 -0.006 0.000 1.188 214 K HN 0.725 nan 8.250 nan 0.000 0.428 215 W N 5.114 126.332 121.300 -0.137 0.000 2.358 215 W HA 0.349 5.001 4.660 -0.013 0.000 0.307 215 W C -1.014 175.434 176.519 -0.120 0.000 1.203 215 W CA -0.570 56.696 57.345 -0.132 0.000 1.279 215 W CB 0.404 29.773 29.460 -0.151 0.000 1.264 215 W HN 0.190 nan 8.180 nan 0.000 0.474 216 V N 6.543 126.541 119.914 0.140 0.000 3.074 216 V HA 0.332 4.444 4.120 -0.013 0.000 0.314 216 V C -0.500 175.565 176.094 -0.048 0.000 1.117 216 V CA -0.614 61.673 62.300 -0.021 0.000 1.014 216 V CB 2.102 33.939 31.823 0.024 0.000 1.057 216 V HN 0.455 nan 8.190 nan 0.000 0.438 217 D N 1.389 121.747 120.400 -0.070 0.000 2.689 217 D HA -0.128 4.504 4.640 -0.013 0.000 0.237 217 D C 0.376 176.620 176.300 -0.094 0.000 1.148 217 D CA 1.382 55.343 54.000 -0.066 0.000 0.656 217 D CB -1.222 39.571 40.800 -0.012 0.000 1.050 217 D HN 0.848 nan 8.370 nan 0.000 0.426 218 T N -3.160 111.287 114.554 -0.179 0.000 2.918 218 T HA 0.426 4.768 4.350 -0.013 0.000 0.283 218 T C 0.216 174.876 174.700 -0.067 0.000 1.001 218 T CA -0.899 61.099 62.100 -0.170 0.000 1.041 218 T CB 2.636 71.226 68.868 -0.464 0.000 1.028 218 T HN 0.206 nan 8.240 nan 0.000 0.511 219 Q N 1.179 121.015 119.800 0.059 0.000 2.243 219 Q HA 0.515 4.847 4.340 -0.013 0.000 0.252 219 Q C -1.436 174.614 176.000 0.084 0.000 0.909 219 Q CA -0.817 55.029 55.803 0.071 0.000 0.922 219 Q CB 1.216 30.089 28.738 0.225 0.000 1.215 219 Q HN 0.626 nan 8.270 nan 0.000 0.427 220 V N 4.489 124.411 119.914 0.014 0.000 2.435 220 V HA 0.428 4.540 4.120 -0.013 0.000 0.290 220 V C -0.365 175.772 176.094 0.071 0.000 1.030 220 V CA -0.598 61.669 62.300 -0.056 0.000 0.881 220 V CB 1.672 33.425 31.823 -0.116 0.000 0.983 220 V HN 0.634 nan 8.190 nan 0.000 0.445 221 V N 6.011 126.001 119.914 0.127 0.000 2.680 221 V HA 0.521 4.634 4.120 -0.013 0.000 0.309 221 V C -0.222 175.977 176.094 0.176 0.000 1.052 221 V CA -0.648 61.768 62.300 0.193 0.000 0.908 221 V CB 2.001 34.014 31.823 0.317 0.000 1.001 221 V HN 0.631 nan 8.190 nan 0.000 0.431 222 L N 3.181 124.512 121.223 0.180 0.000 2.343 222 L HA 0.823 5.156 4.340 -0.013 0.000 0.275 222 L C 0.295 177.363 176.870 0.330 0.000 1.056 222 L CA -0.559 54.388 54.840 0.179 0.000 0.804 222 L CB 1.577 43.718 42.059 0.137 0.000 1.203 222 L HN 0.739 nan 8.230 nan 0.000 0.440 223 A N 4.244 127.218 122.820 0.257 0.000 2.267 223 A HA 0.604 4.916 4.320 -0.013 0.000 0.315 223 A C -0.534 177.326 177.584 0.461 0.000 1.297 223 A CA -0.460 51.777 52.037 0.333 0.000 0.865 223 A CB 0.965 19.759 19.000 -0.343 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.513 224 M N 5.946 125.867 119.600 0.535 0.000 2.129 224 M HA 0.505 4.978 4.480 -0.013 0.000 0.348 224 M C -2.627 173.950 176.300 0.462 0.000 1.116 224 M CA -1.992 53.561 55.300 0.422 0.000 1.022 224 M CB 1.910 34.682 32.600 0.287 0.000 1.599 224 M HN 0.335 nan 8.290 nan 0.000 0.449 225 P HA 0.281 nan 4.420 nan 0.000 0.286 225 P C -1.946 175.308 177.300 -0.076 0.000 1.261 225 P CA -0.036 63.002 63.100 -0.104 0.000 0.821 225 P CB 0.547 31.982 31.700 -0.442 0.000 1.013 226 Y N 0.328 120.562 120.300 -0.109 0.000 2.329 226 Y HA 0.298 4.841 4.550 -0.013 0.000 0.328 226 Y C -0.067 175.824 175.900 -0.016 0.000 0.992 226 Y CA -0.374 57.724 58.100 -0.003 0.000 1.151 226 Y CB 1.405 39.892 38.460 0.045 0.000 1.150 226 Y HN 0.207 nan 8.280 nan 0.000 0.450 227 D N 2.161 122.679 120.400 0.197 0.000 2.198 227 D HA 0.405 5.037 4.640 -0.013 0.000 0.245 227 D C -0.527 176.007 176.300 0.389 0.000 1.079 227 D CA -0.199 53.958 54.000 0.261 0.000 0.854 227 D CB 1.775 42.767 40.800 0.321 0.000 1.148 227 D HN 0.347 nan 8.370 nan 0.000 0.456 228 T N 3.059 117.738 114.554 0.207 0.000 2.824 228 T HA 0.467 4.809 4.350 -0.013 0.000 0.282 228 T C -2.524 172.009 174.700 -0.277 0.000 0.993 228 T CA -1.477 60.645 62.100 0.036 0.000 0.967 228 T CB 2.067 70.952 68.868 0.029 0.000 0.960 228 T HN 0.174 nan 8.240 nan 0.000 0.441 229 P HA 0.332 nan 4.420 nan 0.000 0.275 229 P C -1.029 175.938 177.300 -0.555 0.000 1.227 229 P CA -0.405 62.012 63.100 -1.138 0.000 0.781 229 P CB 0.840 31.632 31.700 -1.512 0.000 0.906 230 V N 4.964 124.613 119.914 -0.441 0.000 2.340 230 V HA 0.260 4.372 4.120 -0.013 0.000 0.277 230 V C -2.114 173.850 176.094 -0.216 0.000 1.017 230 V CA -1.882 60.259 62.300 -0.265 0.000 0.820 230 V CB 1.418 33.135 31.823 -0.176 0.000 1.028 230 V HN 0.545 nan 8.190 nan 0.000 0.436 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.392 177.644 177.300 -0.080 0.000 1.244 231 P CA 0.334 63.349 63.100 -0.141 0.000 0.784 231 P CB 1.668 33.281 31.700 -0.144 0.000 0.913 232 G N 2.300 111.070 108.800 -0.050 0.000 2.599 232 G HA2 0.139 4.091 3.960 -0.013 0.000 0.264 232 G HA3 0.139 4.091 3.960 -0.013 0.000 0.264 232 G C -1.195 173.719 174.900 0.023 0.000 1.200 232 G CA -0.581 44.518 45.100 -0.002 0.000 0.896 232 G HN 0.526 nan 8.290 nan 0.000 0.536 233 Y N 0.330 120.595 120.300 -0.060 0.000 2.584 233 Y HA 0.300 4.842 4.550 -0.013 0.000 0.351 233 Y C 1.243 177.108 175.900 -0.059 0.000 1.030 233 Y CA -0.312 57.749 58.100 -0.066 0.000 1.332 233 Y CB 0.218 38.637 38.460 -0.068 0.000 1.148 233 Y HN 0.698 nan 8.280 nan 0.000 0.528 234 R N 3.001 123.149 120.500 -0.587 0.000 3.610 234 R HA -0.317 4.016 4.340 -0.013 0.000 0.274 234 R C -0.089 176.060 176.300 -0.251 0.000 1.123 234 R CA 1.519 57.316 56.100 -0.505 0.000 0.747 234 R CB -1.826 27.988 30.300 -0.812 0.000 1.149 234 R HN 0.948 nan 8.270 nan 0.000 0.471 235 N N -1.606 117.005 118.700 -0.149 0.000 2.170 235 N HA 0.082 4.815 4.740 -0.013 0.000 0.222 235 N C -0.212 175.253 175.510 -0.076 0.000 1.218 235 N CA -0.377 52.621 53.050 -0.087 0.000 0.889 235 N CB 0.572 39.033 38.487 -0.042 0.000 1.083 235 N HN 0.075 nan 8.380 nan 0.000 0.520 236 N N -0.310 118.341 118.700 -0.082 0.000 2.800 236 N HA -0.132 4.600 4.740 -0.013 0.000 0.250 236 N C -1.063 174.409 175.510 -0.063 0.000 1.078 236 N CA 0.581 53.592 53.050 -0.065 0.000 0.804 236 N CB -1.267 37.182 38.487 -0.062 0.000 1.135 236 N HN 0.209 nan 8.380 nan 0.000 0.565 237 V N 1.102 120.981 119.914 -0.057 0.000 2.427 237 V HA 0.498 4.610 4.120 -0.013 0.000 0.286 237 V C 0.440 176.506 176.094 -0.046 0.000 1.034 237 V CA -0.552 61.720 62.300 -0.047 0.000 0.893 237 V CB 2.215 34.033 31.823 -0.008 0.000 0.982 237 V HN -0.048 nan 8.190 nan 0.000 0.452 238 V N 5.417 125.307 119.914 -0.040 0.000 2.419 238 V HA 0.442 4.554 4.120 -0.013 0.000 0.287 238 V C -0.102 175.974 176.094 -0.030 0.000 1.017 238 V CA -0.854 61.395 62.300 -0.086 0.000 0.844 238 V CB 1.459 33.217 31.823 -0.108 0.000 1.011 238 V HN 0.831 nan 8.190 nan 0.000 0.429 239 N N 1.945 120.606 118.700 -0.064 0.000 2.405 239 N HA 0.567 5.299 4.740 -0.013 0.000 0.269 239 N C -0.039 175.457 175.510 -0.024 0.000 1.249 239 N CA -0.269 52.773 53.050 -0.014 0.000 0.974 239 N CB 1.207 39.654 38.487 -0.066 0.000 1.204 239 N HN 0.582 nan 8.380 nan 0.000 0.565 240 T N 0.778 115.351 114.554 0.032 0.000 2.824 240 T HA 0.396 4.739 4.350 -0.013 0.000 0.282 240 T C -0.259 174.443 174.700 0.003 0.000 0.993 240 T CA -0.509 61.676 62.100 0.141 0.000 0.967 240 T CB 0.986 70.082 68.868 0.380 0.000 0.960 240 T HN 0.315 nan 8.240 nan 0.000 0.441 241 M N 3.890 123.447 119.600 -0.071 0.000 2.066 241 M HA 0.492 4.964 4.480 -0.013 0.000 0.340 241 M C -0.434 175.726 176.300 -0.232 0.000 1.053 241 M CA -0.745 54.426 55.300 -0.215 0.000 0.983 241 M CB 0.564 32.987 32.600 -0.295 0.000 1.520 241 M HN 0.458 nan 8.290 nan 0.000 0.428 242 R N 4.677 124.924 120.500 -0.423 0.000 2.207 242 R HA 0.504 4.836 4.340 -0.013 0.000 0.334 242 R C -1.849 174.144 176.300 -0.511 0.000 1.013 242 R CA -0.557 55.224 56.100 -0.531 0.000 0.858 242 R CB 0.765 30.521 30.300 -0.907 0.000 1.094 242 R HN 0.639 nan 8.270 nan 0.000 0.457 243 L N 5.824 126.860 121.223 -0.312 0.000 2.287 243 L HA 0.432 4.765 4.340 -0.013 0.000 0.287 243 L C -0.981 175.836 176.870 -0.089 0.000 1.022 243 L CA -0.600 54.155 54.840 -0.142 0.000 0.814 243 L CB 1.027 43.091 42.059 0.008 0.000 1.217 243 L HN 0.624 nan 8.230 nan 0.000 0.420 244 W N 2.484 123.900 121.300 0.194 0.000 2.315 244 W HA 0.553 5.205 4.660 -0.013 0.000 0.316 244 W C 0.639 177.388 176.519 0.383 0.000 1.211 244 W CA -0.194 57.293 57.345 0.236 0.000 1.201 244 W CB 1.235 30.690 29.460 -0.009 0.000 1.184 244 W HN 0.424 nan 8.180 nan 0.000 0.544 245 S N 1.669 117.795 115.700 0.710 0.000 2.482 245 S HA 0.756 5.218 4.470 -0.013 0.000 0.303 245 S C -0.431 174.522 174.600 0.588 0.000 1.091 245 S CA -0.731 57.789 58.200 0.533 0.000 1.057 245 S CB 0.652 64.122 63.200 0.449 0.000 1.031 245 S HN 0.513 nan 8.310 nan 0.000 0.485 246 A N 4.640 127.635 122.820 0.291 0.000 2.366 246 A HA 0.650 4.962 4.320 -0.013 0.000 0.272 246 A C -0.052 177.621 177.584 0.148 0.000 1.135 246 A CA -0.225 51.880 52.037 0.114 0.000 0.804 246 A CB 0.377 19.192 19.000 -0.309 0.000 1.064 246 A HN 0.650 nan 8.150 nan 0.000 0.499 247 K N 0.854 121.360 120.400 0.177 0.000 2.469 247 K HA 0.637 4.950 4.320 -0.013 0.000 0.254 247 K C -0.724 175.942 176.600 0.111 0.000 0.939 247 K CA -0.475 55.894 56.287 0.138 0.000 0.812 247 K CB 2.362 34.959 32.500 0.160 0.000 1.301 247 K HN 0.833 nan 8.250 nan 0.000 0.433 248 A N 3.784 126.653 122.820 0.082 0.000 2.327 248 A HA 0.539 4.852 4.320 -0.013 0.000 0.283 248 A C -2.237 175.393 177.584 0.076 0.000 1.127 248 A CA -1.283 50.798 52.037 0.074 0.000 0.810 248 A CB 0.011 19.044 19.000 0.055 0.000 1.066 248 A HN 0.342 nan 8.150 nan 0.000 0.492 249 P HA 0.092 nan 4.420 nan 0.000 0.274 249 P C -0.006 177.338 177.300 0.073 0.000 1.231 249 P CA -0.360 62.789 63.100 0.081 0.000 0.790 249 P CB 0.693 32.454 31.700 0.101 0.000 0.951 250 N N 1.208 119.941 118.700 0.056 0.000 2.412 250 N HA -0.086 4.647 4.740 -0.013 0.000 0.184 250 N C 0.525 176.058 175.510 0.039 0.000 1.101 250 N CA 0.361 53.437 53.050 0.045 0.000 0.881 250 N CB -0.358 38.150 38.487 0.035 0.000 0.969 250 N HN 0.406 nan 8.380 nan 0.000 0.459 251 D N 0.763 121.186 120.400 0.038 0.000 2.237 251 D HA -0.094 4.538 4.640 -0.013 0.000 0.267 251 D C 1.605 177.915 176.300 0.017 0.000 1.226 251 D CA 0.045 54.036 54.000 -0.014 0.000 0.947 251 D CB -1.065 39.696 40.800 -0.066 0.000 0.941 251 D HN 0.064 nan 8.370 nan 0.000 0.333 252 F N 0.776 120.745 119.950 0.031 0.000 2.141 252 F HA -0.199 4.320 4.527 -0.013 0.000 0.300 252 F C 1.528 177.353 175.800 0.041 0.000 1.079 252 F CA 1.240 59.265 58.000 0.041 0.000 1.264 252 F CB -0.432 38.593 39.000 0.040 0.000 1.011 252 F HN 0.034 nan 8.300 nan 0.000 0.487 253 N N 0.772 119.606 118.700 0.223 0.000 3.115 253 N HA 0.064 4.797 4.740 -0.013 0.000 0.305 253 N C 0.576 176.139 175.510 0.088 0.000 1.305 253 N CA 0.127 53.256 53.050 0.132 0.000 1.154 253 N CB 0.026 38.569 38.487 0.093 0.000 1.454 253 N HN 0.138 nan 8.380 nan 0.000 0.551 254 L N -0.620 120.667 121.223 0.107 0.000 1.433 254 L HA -0.114 4.218 4.340 -0.013 0.000 0.146 254 L C 1.328 178.259 176.870 0.102 0.000 1.334 254 L CA 0.872 55.761 54.840 0.083 0.000 1.267 254 L CB -0.962 41.135 42.059 0.063 0.000 2.547 254 L HN 0.281 nan 8.230 nan 0.000 0.476 255 K N 0.309 120.745 120.400 0.059 0.000 2.366 255 K HA -0.031 4.282 4.320 -0.013 0.000 0.198 255 K C 0.494 177.135 176.600 0.067 0.000 1.044 255 K CA 1.029 57.301 56.287 -0.024 0.000 0.973 255 K CB -0.039 32.327 32.500 -0.223 0.000 0.767 255 K HN 0.152 nan 8.250 nan 0.000 0.475 256 D N 2.127 122.680 120.400 0.253 0.000 2.441 256 D HA -0.018 4.615 4.640 -0.013 0.000 0.243 256 D C -0.221 176.298 176.300 0.366 0.000 1.257 256 D CA -0.183 54.067 54.000 0.418 0.000 1.027 256 D CB -0.115 40.962 40.800 0.462 0.000 1.084 256 D HN 0.200 nan 8.370 nan 0.000 0.514 257 F N 1.395 121.388 119.950 0.072 0.000 2.408 257 F HA 0.317 4.836 4.527 -0.013 0.000 0.303 257 F C 0.552 176.382 175.800 0.050 0.000 1.268 257 F CA -1.906 56.125 58.000 0.052 0.000 1.218 257 F CB -0.293 38.724 39.000 0.029 0.000 1.283 257 F HN 0.357 nan 8.300 nan 0.000 0.545 258 N N -0.531 118.050 118.700 -0.198 0.000 3.506 258 N HA 0.065 4.797 4.740 -0.013 0.000 0.257 258 N C -1.702 173.746 175.510 -0.105 0.000 1.059 258 N CA 0.475 53.347 53.050 -0.296 0.000 0.672 258 N CB -0.919 37.250 38.487 -0.529 0.000 1.178 258 N HN 0.835 nan 8.380 nan 0.000 0.593 259 V N -1.566 118.336 119.914 -0.020 0.000 3.627 259 V HA -0.033 4.079 4.120 -0.013 0.000 0.518 259 V C 1.326 177.428 176.094 0.014 0.000 0.682 259 V CA 1.582 63.885 62.300 0.005 0.000 2.073 259 V CB -0.885 30.931 31.823 -0.013 0.000 2.489 259 V HN 0.997 nan 8.190 nan 0.000 0.513 260 G N 1.001 109.818 108.800 0.029 0.000 3.758 260 G HA2 0.670 4.623 3.960 -0.013 0.000 0.206 260 G HA3 0.670 4.623 3.960 -0.013 0.000 0.206 260 G C 0.890 175.811 174.900 0.035 0.000 0.946 260 G CA 1.207 46.323 45.100 0.026 0.000 0.885 260 G HN 3.005 nan 8.290 nan 0.000 0.392 261 G N -1.012 107.823 108.800 0.059 0.000 3.014 261 G HA2 0.266 4.219 3.960 -0.013 0.000 0.683 261 G HA3 0.266 4.219 3.960 -0.013 0.000 0.683 261 G C -0.091 174.868 174.900 0.098 0.000 1.271 261 G CA 0.201 45.347 45.100 0.076 0.000 0.843 261 G HN 1.419 nan 8.290 nan 0.000 0.612 262 Y N 3.347 123.663 120.300 0.026 0.000 2.200 262 Y HA 0.020 4.562 4.550 -0.013 0.000 0.290 262 Y C 2.466 178.380 175.900 0.024 0.000 1.137 262 Y CA 2.102 60.218 58.100 0.028 0.000 1.163 262 Y CB 0.009 38.483 38.460 0.024 0.000 0.988 262 Y HN 0.491 nan 8.280 nan 0.000 0.518 263 I N 0.558 121.084 120.570 -0.072 0.000 2.142 263 I HA -0.295 3.867 4.170 -0.013 0.000 0.240 263 I C 2.392 178.414 176.117 -0.159 0.000 1.078 263 I CA 1.451 62.653 61.300 -0.163 0.000 1.343 263 I CB -1.420 36.584 38.000 0.008 0.000 1.046 263 I HN 0.338 nan 8.210 nan 0.000 0.405 264 Q N 0.648 120.406 119.800 -0.071 0.000 2.152 264 Q HA -0.172 4.160 4.340 -0.013 0.000 0.206 264 Q C 2.327 178.286 176.000 -0.069 0.000 0.985 264 Q CA 2.024 57.797 55.803 -0.051 0.000 0.863 264 Q CB -0.395 28.334 28.738 -0.016 0.000 0.904 264 Q HN 0.563 nan 8.270 nan 0.000 0.422 265 A N -0.385 122.381 122.820 -0.090 0.000 1.933 265 A HA -0.126 4.186 4.320 -0.013 0.000 0.218 265 A C 2.389 179.905 177.584 -0.113 0.000 1.175 265 A CA 1.593 53.585 52.037 -0.076 0.000 0.628 265 A CB -0.546 18.422 19.000 -0.054 0.000 0.814 265 A HN 0.236 nan 8.150 nan 0.000 0.444 266 V N 0.118 119.900 119.914 -0.219 0.000 2.379 266 V HA -0.193 3.919 4.120 -0.013 0.000 0.245 266 V C 2.486 178.517 176.094 -0.105 0.000 1.044 266 V CA 1.697 63.879 62.300 -0.197 0.000 1.036 266 V CB -0.645 30.981 31.823 -0.329 0.000 0.664 266 V HN 0.566 nan 8.190 nan 0.000 0.453 267 L N -0.264 120.903 121.223 -0.094 0.000 2.201 267 L HA -0.132 4.200 4.340 -0.013 0.000 0.212 267 L C 1.913 178.765 176.870 -0.030 0.000 1.105 267 L CA 1.176 55.986 54.840 -0.050 0.000 0.775 267 L CB -0.638 41.396 42.059 -0.041 0.000 0.913 267 L HN 0.329 nan 8.230 nan 0.000 0.440 268 D N -0.026 120.355 120.400 -0.032 0.000 2.363 268 D HA -0.059 4.573 4.640 -0.013 0.000 0.226 268 D C 2.129 178.425 176.300 -0.006 0.000 1.020 268 D CA 0.416 54.407 54.000 -0.016 0.000 0.892 268 D CB 0.059 40.851 40.800 -0.013 0.000 0.900 268 D HN 0.212 nan 8.370 nan 0.000 0.531 269 R N 0.402 120.897 120.500 -0.008 0.000 2.120 269 R HA 0.012 4.344 4.340 -0.013 0.000 0.234 269 R C 0.428 176.734 176.300 0.010 0.000 1.123 269 R CA 0.535 56.639 56.100 0.006 0.000 0.975 269 R CB -0.049 30.253 30.300 0.005 0.000 0.866 269 R HN 0.067 nan 8.270 nan 0.000 0.446 270 N N 1.138 119.842 118.700 0.007 0.000 3.103 270 N HA -0.004 4.728 4.740 -0.013 0.000 0.305 270 N C 0.052 175.566 175.510 0.008 0.000 1.232 270 N CA 0.509 53.567 53.050 0.014 0.000 1.190 270 N CB 1.017 39.515 38.487 0.018 0.000 1.461 270 N HN 0.114 nan 8.380 nan 0.000 0.538 271 L N -0.481 120.743 121.223 0.002 0.000 2.824 271 L HA 0.221 4.553 4.340 -0.013 0.000 0.284 271 L C 1.661 178.517 176.870 -0.024 0.000 1.031 271 L CA 0.468 55.304 54.840 -0.007 0.000 1.226 271 L CB -0.255 41.801 42.059 -0.005 0.000 2.283 271 L HN 0.230 nan 8.230 nan 0.000 0.569 272 A N -0.792 122.017 122.820 -0.018 0.000 2.044 272 A HA 0.083 4.395 4.320 -0.013 0.000 0.213 272 A C 1.698 179.247 177.584 -0.058 0.000 1.169 272 A CA 0.851 52.866 52.037 -0.037 0.000 0.724 272 A CB -0.137 18.869 19.000 0.010 0.000 0.840 272 A HN 0.411 nan 8.150 nan 0.000 0.463 273 E N 0.133 120.319 120.200 -0.023 0.000 2.478 273 E HA -0.021 4.321 4.350 -0.013 0.000 0.194 273 E C 0.785 177.375 176.600 -0.017 0.000 1.045 273 E CA -0.105 56.286 56.400 -0.016 0.000 0.868 273 E CB -0.016 29.699 29.700 0.025 0.000 0.885 273 E HN 0.396 nan 8.360 nan 0.000 0.505 274 N N 0.910 119.600 118.700 -0.018 0.000 2.459 274 N HA -0.030 4.702 4.740 -0.013 0.000 0.181 274 N C 1.545 177.053 175.510 -0.005 0.000 1.046 274 N CA 0.474 53.531 53.050 0.011 0.000 0.904 274 N CB 0.069 38.562 38.487 0.011 0.000 0.964 274 N HN 0.235 nan 8.380 nan 0.000 0.444 275 I N 0.275 120.787 120.570 -0.096 0.000 2.264 275 I HA -0.244 3.918 4.170 -0.013 0.000 0.248 275 I C 1.306 177.380 176.117 -0.072 0.000 1.111 275 I CA 1.226 62.436 61.300 -0.151 0.000 1.382 275 I CB -0.101 37.653 38.000 -0.409 0.000 1.060 275 I HN 0.125 nan 8.210 nan 0.000 0.418 276 S N -0.693 114.967 115.700 -0.067 0.000 2.574 276 S HA 0.192 4.654 4.470 -0.013 0.000 0.242 276 S C 1.438 176.154 174.600 0.193 0.000 0.982 276 S CA -0.608 57.623 58.200 0.052 0.000 0.977 276 S CB 0.223 63.437 63.200 0.023 0.000 0.814 276 S HN 0.244 nan 8.310 nan 0.000 0.464 277 R N 1.058 121.681 120.500 0.204 0.000 2.073 277 R HA 0.267 4.599 4.340 -0.013 0.000 0.229 277 R C 0.416 176.958 176.300 0.405 0.000 1.120 277 R CA 1.144 57.407 56.100 0.272 0.000 0.967 277 R CB -0.085 30.352 30.300 0.229 0.000 0.862 277 R HN 0.384 nan 8.270 nan 0.000 0.436 278 V N 0.461 120.576 119.914 0.336 0.000 2.888 278 V HA 0.384 4.496 4.120 -0.013 0.000 0.309 278 V C -1.504 174.555 176.094 -0.058 0.000 1.114 278 V CA -1.325 61.100 62.300 0.209 0.000 0.940 278 V CB 1.830 33.700 31.823 0.079 0.000 1.021 278 V HN 0.189 nan 8.190 nan 0.000 0.426 279 L N 6.111 127.064 121.223 -0.451 0.000 2.371 279 L HA 0.534 4.867 4.340 -0.013 0.000 0.272 279 L C -0.972 175.706 176.870 -0.321 0.000 1.124 279 L CA 0.300 54.645 54.840 -0.824 0.000 0.816 279 L CB 0.869 42.307 42.059 -1.034 0.000 1.129 279 L HN 0.693 nan 8.230 nan 0.000 0.448 280 Y N 5.854 126.065 120.300 -0.148 0.000 2.496 280 Y HA 0.244 4.786 4.550 -0.013 0.000 0.334 280 Y C -1.444 174.445 175.900 -0.019 0.000 1.080 280 Y CA -1.291 56.795 58.100 -0.022 0.000 1.355 280 Y CB 0.517 38.991 38.460 0.024 0.000 1.193 280 Y HN 0.555 nan 8.280 nan 0.000 0.523 281 P HA 0.017 nan 4.420 nan 0.000 0.243 281 P C -0.918 176.504 177.300 0.203 0.000 1.668 281 P CA 0.182 63.381 63.100 0.164 0.000 0.898 281 P CB -0.012 31.874 31.700 0.310 0.000 1.637 282 N N 1.239 120.066 118.700 0.212 0.000 2.492 282 N HA 0.271 5.003 4.740 -0.013 0.000 0.289 282 N C -0.567 175.083 175.510 0.234 0.000 1.133 282 N CA 0.031 53.227 53.050 0.243 0.000 0.961 282 N CB 1.142 39.816 38.487 0.311 0.000 1.186 282 N HN 0.055 nan 8.380 nan 0.000 0.493 283 D N 0.319 120.893 120.400 0.290 0.000 2.629 283 D HA 0.209 4.841 4.640 -0.013 0.000 0.250 283 D C -0.254 176.283 176.300 0.394 0.000 1.126 283 D CA -0.325 53.858 54.000 0.304 0.000 0.852 283 D CB 0.431 41.416 40.800 0.308 0.000 1.335 283 D HN 0.358 nan 8.370 nan 0.000 0.518 284 N N 2.257 121.144 118.700 0.311 0.000 2.716 284 N HA -0.254 4.478 4.740 -0.013 0.000 0.250 284 N C -1.217 174.531 175.510 0.396 0.000 1.033 284 N CA 0.766 53.981 53.050 0.274 0.000 0.727 284 N CB -0.902 37.699 38.487 0.190 0.000 0.950 284 N HN 0.392 nan 8.380 nan 0.000 0.541 285 F N 0.429 120.480 119.950 0.168 0.000 2.588 285 F HA 0.431 4.951 4.527 -0.013 0.000 0.314 285 F C -1.116 174.769 175.800 0.142 0.000 1.134 285 F CA -1.091 56.983 58.000 0.124 0.000 0.961 285 F CB 1.021 40.053 39.000 0.055 0.000 1.239 285 F HN -0.030 nan 8.300 nan 0.000 0.448 286 F N 5.734 125.249 119.950 -0.725 0.000 2.427 286 F HA 0.510 5.029 4.527 -0.013 0.000 0.346 286 F C -0.552 174.880 175.800 -0.614 0.000 1.120 286 F CA -0.180 57.498 58.000 -0.536 0.000 1.033 286 F CB 0.830 39.544 39.000 -0.477 0.000 1.126 286 F HN 0.475 nan 8.300 nan 0.000 0.462 287 E N 3.872 123.476 120.200 -0.993 0.000 2.155 287 E HA 0.259 4.601 4.350 -0.013 0.000 0.264 287 E C -0.174 175.642 176.600 -1.307 0.000 0.886 287 E CA -0.719 55.158 56.400 -0.871 0.000 0.752 287 E CB 1.629 31.155 29.700 -0.289 0.000 1.133 287 E HN 0.936 nan 8.360 nan 0.000 0.414 288 G N 4.659 112.668 108.800 -1.318 0.000 3.316 288 G HA2 0.029 3.982 3.960 -0.013 0.000 0.255 288 G HA3 0.029 3.982 3.960 -0.013 0.000 0.255 288 G C 0.103 174.938 174.900 -0.110 0.000 0.880 288 G CA -0.223 44.303 45.100 -0.958 0.000 1.956 288 G HN 0.144 nan 8.290 nan 0.000 0.634 289 K N 0.314 120.705 120.400 -0.014 0.000 2.098 289 K HA 0.205 4.517 4.320 -0.013 0.000 0.261 289 K C 0.944 177.690 176.600 0.243 0.000 0.987 289 K CA -0.745 55.619 56.287 0.128 0.000 0.916 289 K CB 2.155 34.718 32.500 0.104 0.000 1.039 289 K HN 0.402 nan 8.250 nan 0.000 0.455 290 E N 1.245 121.545 120.200 0.167 0.000 2.106 290 E HA -0.185 4.158 4.350 -0.013 0.000 0.192 290 E C 1.497 178.130 176.600 0.055 0.000 0.984 290 E CA 0.771 57.219 56.400 0.080 0.000 0.806 290 E CB 0.163 29.909 29.700 0.078 0.000 0.750 290 E HN 0.384 nan 8.360 nan 0.000 0.458 291 L N 1.429 122.733 121.223 0.135 0.000 2.079 291 L HA -0.175 4.158 4.340 -0.013 0.000 0.210 291 L C 2.380 179.385 176.870 0.226 0.000 1.081 291 L CA 1.600 56.544 54.840 0.173 0.000 0.752 291 L CB -0.565 41.658 42.059 0.273 0.000 0.896 291 L HN 0.034 nan 8.230 nan 0.000 0.433 292 R N -0.468 120.149 120.500 0.194 0.000 2.070 292 R HA -0.144 4.189 4.340 -0.013 0.000 0.233 292 R C 2.249 178.634 176.300 0.142 0.000 1.137 292 R CA 1.817 57.979 56.100 0.102 0.000 0.945 292 R CB -1.321 28.897 30.300 -0.137 0.000 0.845 292 R HN 0.412 nan 8.270 nan 0.000 0.430 293 L N 1.645 122.845 121.223 -0.039 0.000 2.042 293 L HA -0.175 4.157 4.340 -0.013 0.000 0.210 293 L C 2.017 178.836 176.870 -0.084 0.000 1.076 293 L CA 1.943 56.544 54.840 -0.398 0.000 0.749 293 L CB -0.455 41.046 42.059 -0.930 0.000 0.893 293 L HN 0.081 nan 8.230 nan 0.000 0.432 294 K N -1.101 119.293 120.400 -0.010 0.000 2.057 294 K HA -0.194 4.118 4.320 -0.013 0.000 0.207 294 K C 2.092 178.842 176.600 0.249 0.000 1.049 294 K CA 1.809 58.146 56.287 0.084 0.000 0.931 294 K CB -0.148 32.250 32.500 -0.171 0.000 0.714 294 K HN 0.523 nan 8.250 nan 0.000 0.440 295 Q N 0.375 120.303 119.800 0.213 0.000 2.084 295 Q HA -0.191 4.142 4.340 -0.013 0.000 0.202 295 Q C 1.915 178.118 176.000 0.339 0.000 0.978 295 Q CA 1.383 57.366 55.803 0.300 0.000 0.844 295 Q CB -0.011 28.933 28.738 0.343 0.000 0.898 295 Q HN 0.381 nan 8.270 nan 0.000 0.426 296 E N -0.186 120.173 120.200 0.264 0.000 2.077 296 E HA -0.203 4.139 4.350 -0.013 0.000 0.193 296 E C 1.681 178.405 176.600 0.206 0.000 0.989 296 E CA 0.987 57.526 56.400 0.231 0.000 0.800 296 E CB -0.079 29.738 29.700 0.195 0.000 0.746 296 E HN 0.316 nan 8.360 nan 0.000 0.452 297 Y N 0.122 120.482 120.300 0.099 0.000 2.286 297 Y HA -0.170 4.373 4.550 -0.013 0.000 0.293 297 Y C 1.892 177.842 175.900 0.084 0.000 1.124 297 Y CA 0.850 58.963 58.100 0.022 0.000 1.178 297 Y CB -0.307 38.132 38.460 -0.036 0.000 1.010 297 Y HN 0.018 nan 8.280 nan 0.000 0.536 298 F N -0.229 119.726 119.950 0.009 0.000 2.065 298 F HA -0.258 4.261 4.527 -0.013 0.000 0.298 298 F C 2.461 178.115 175.800 -0.244 0.000 1.112 298 F CA 2.096 60.053 58.000 -0.072 0.000 1.212 298 F CB -1.093 38.003 39.000 0.160 0.000 0.975 298 F HN -0.074 nan 8.300 nan 0.000 0.476 299 V N -0.477 119.384 119.914 -0.087 0.000 2.515 299 V HA -0.187 3.925 4.120 -0.013 0.000 0.250 299 V C 2.153 178.088 176.094 -0.265 0.000 1.058 299 V CA 1.786 63.986 62.300 -0.167 0.000 1.064 299 V CB -0.319 31.624 31.823 0.200 0.000 0.675 299 V HN 0.278 nan 8.190 nan 0.000 0.461 300 V N 0.299 120.064 119.914 -0.248 0.000 2.323 300 V HA -0.139 3.973 4.120 -0.013 0.000 0.244 300 V C 2.783 178.615 176.094 -0.436 0.000 1.041 300 V CA 1.997 64.140 62.300 -0.262 0.000 1.025 300 V CB -1.002 30.723 31.823 -0.163 0.000 0.656 300 V HN 0.625 nan 8.190 nan 0.000 0.451 301 A N -0.025 122.367 122.820 -0.713 0.000 1.877 301 A HA -0.141 4.171 4.320 -0.013 0.000 0.216 301 A C 2.403 179.621 177.584 -0.611 0.000 1.186 301 A CA 2.250 53.864 52.037 -0.706 0.000 0.620 301 A CB -0.856 17.515 19.000 -1.049 0.000 0.822 301 A HN 0.566 nan 8.150 nan 0.000 0.443 302 A N -1.150 121.148 122.820 -0.870 0.000 1.873 302 A HA -0.065 4.247 4.320 -0.013 0.000 0.215 302 A C 2.313 179.407 177.584 -0.817 0.000 1.186 302 A CA 2.271 53.623 52.037 -1.140 0.000 0.616 302 A CB -1.310 16.380 19.000 -2.184 0.000 0.823 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.431 114.626 114.554 -0.598 0.000 2.720 303 T HA -0.109 4.233 4.350 -0.013 0.000 0.268 303 T C 1.815 176.252 174.700 -0.439 0.000 1.037 303 T CA 1.476 63.363 62.100 -0.355 0.000 1.144 303 T CB -0.376 68.270 68.868 -0.371 0.000 0.864 303 T HN 0.337 nan 8.240 nan 0.000 0.444 304 L N 0.642 121.646 121.223 -0.365 0.000 2.083 304 L HA -0.153 4.179 4.340 -0.013 0.000 0.209 304 L C 2.928 179.675 176.870 -0.205 0.000 1.083 304 L CA 1.371 56.043 54.840 -0.280 0.000 0.752 304 L CB -0.465 41.470 42.059 -0.208 0.000 0.899 304 L HN 0.345 nan 8.230 nan 0.000 0.433 305 Q N -0.628 119.056 119.800 -0.193 0.000 2.084 305 Q HA -0.254 4.078 4.340 -0.013 0.000 0.202 305 Q C 1.745 177.710 176.000 -0.058 0.000 0.978 305 Q CA 1.732 57.472 55.803 -0.105 0.000 0.844 305 Q CB -0.120 28.549 28.738 -0.117 0.000 0.898 305 Q HN 0.414 nan 8.270 nan 0.000 0.426 306 D N 0.464 120.825 120.400 -0.067 0.000 2.144 306 D HA -0.090 4.543 4.640 -0.013 0.000 0.200 306 D C 1.658 177.897 176.300 -0.101 0.000 0.978 306 D CA 0.808 54.810 54.000 0.003 0.000 0.833 306 D CB -0.000 40.904 40.800 0.175 0.000 0.961 306 D HN 0.163 nan 8.370 nan 0.000 0.470 307 I N 0.021 120.424 120.570 -0.279 0.000 2.202 307 I HA -0.222 3.940 4.170 -0.013 0.000 0.242 307 I C 2.243 178.366 176.117 0.009 0.000 1.091 307 I CA 0.727 61.810 61.300 -0.362 0.000 1.368 307 I CB -0.079 37.552 38.000 -0.614 0.000 1.058 307 I HN 0.019 nan 8.210 nan 0.000 0.410 308 I N 0.278 120.902 120.570 0.090 0.000 2.315 308 I HA -0.278 3.884 4.170 -0.013 0.000 0.248 308 I C 2.758 179.016 176.117 0.236 0.000 1.117 308 I CA 1.058 62.522 61.300 0.273 0.000 1.404 308 I CB -0.347 37.768 38.000 0.192 0.000 1.071 308 I HN 0.190 nan 8.210 nan 0.000 0.419 309 R N 1.127 121.700 120.500 0.121 0.000 2.073 309 R HA -0.203 4.130 4.340 -0.013 0.000 0.234 309 R C 2.445 178.802 176.300 0.095 0.000 1.134 309 R CA 1.595 57.751 56.100 0.093 0.000 0.952 309 R CB -0.242 30.093 30.300 0.058 0.000 0.850 309 R HN 0.207 nan 8.270 nan 0.000 0.433 310 R N -0.625 119.935 120.500 0.099 0.000 2.096 310 R HA -0.165 4.167 4.340 -0.013 0.000 0.235 310 R C 2.168 178.559 176.300 0.151 0.000 1.127 310 R CA 1.781 57.951 56.100 0.117 0.000 0.968 310 R CB -0.362 30.008 30.300 0.117 0.000 0.861 310 R HN 0.269 nan 8.270 nan 0.000 0.440 311 F N 1.642 121.612 119.950 0.034 0.000 2.146 311 F HA -0.121 4.399 4.527 -0.013 0.000 0.298 311 F C 1.656 177.404 175.800 -0.087 0.000 1.096 311 F CA 1.459 59.437 58.000 -0.037 0.000 1.275 311 F CB 0.011 39.029 39.000 0.031 0.000 1.008 311 F HN -0.167 nan 8.300 nan 0.000 0.480 312 K N -0.131 120.176 120.400 -0.156 0.000 2.280 312 K HA -0.085 4.227 4.320 -0.013 0.000 0.202 312 K C 2.092 178.594 176.600 -0.162 0.000 1.047 312 K CA 1.246 57.387 56.287 -0.244 0.000 0.942 312 K CB -0.167 32.317 32.500 -0.027 0.000 0.739 312 K HN 0.278 nan 8.250 nan 0.000 0.457 313 S N 0.176 115.839 115.700 -0.061 0.000 2.324 313 S HA -0.031 4.431 4.470 -0.013 0.000 0.210 313 S C 1.303 175.918 174.600 0.025 0.000 1.027 313 S CA 0.197 58.416 58.200 0.031 0.000 0.945 313 S CB -0.039 63.238 63.200 0.129 0.000 0.908 313 S HN 0.246 nan 8.310 nan 0.000 0.496 314 S N 0.825 116.551 115.700 0.043 0.000 4.134 314 S HA -0.302 4.161 4.470 -0.013 0.000 0.538 314 S C 1.019 175.630 174.600 0.018 0.000 1.224 314 S CA 2.159 60.395 58.200 0.059 0.000 3.613 314 S CB -0.630 62.634 63.200 0.107 0.000 2.065 314 S HN 0.479 nan 8.310 nan 0.000 0.493 315 K N -0.589 119.865 120.400 0.089 0.000 2.483 315 K HA 0.466 4.778 4.320 -0.013 0.000 0.206 315 K C 1.034 177.522 176.600 -0.186 0.000 1.086 315 K CA 0.030 56.260 56.287 -0.096 0.000 1.052 315 K CB 0.210 32.603 32.500 -0.179 0.000 0.904 315 K HN 0.409 nan 8.250 nan 0.000 0.557 316 F N -1.049 118.769 119.950 -0.219 0.000 2.446 316 F HA 0.189 4.708 4.527 -0.013 0.000 0.292 316 F C 1.786 177.470 175.800 -0.193 0.000 1.096 316 F CA 0.053 57.909 58.000 -0.240 0.000 1.438 316 F CB 0.430 39.174 39.000 -0.427 0.000 1.107 316 F HN 0.032 nan 8.300 nan 0.000 0.546 317 G N -1.397 107.420 108.800 0.028 0.000 3.530 317 G HA2 0.204 4.156 3.960 -0.013 0.000 0.269 317 G HA3 0.204 4.156 3.960 -0.013 0.000 0.269 317 G C 0.188 175.090 174.900 0.003 0.000 1.314 317 G CA 0.261 45.361 45.100 0.000 0.000 1.441 317 G HN 0.423 nan 8.290 nan 0.000 0.595 318 C N -1.432 117.854 119.300 -0.022 0.000 3.478 318 C HA 0.360 4.812 4.460 -0.013 0.000 0.456 318 C C 1.300 176.259 174.990 -0.052 0.000 1.344 318 C CA 0.770 59.768 59.018 -0.034 0.000 2.265 318 C CB 0.516 28.224 27.740 -0.054 0.000 2.855 318 C HN 0.587 nan 8.230 nan 0.000 0.464 319 R N 0.983 121.429 120.500 -0.091 0.000 3.039 319 R HA 0.364 4.696 4.340 -0.013 0.000 0.092 319 R C -0.340 175.861 176.300 -0.164 0.000 0.608 319 R CA 0.976 57.015 56.100 -0.101 0.000 0.426 319 R CB -1.012 29.233 30.300 -0.093 0.000 0.385 319 R HN 0.273 nan 8.270 nan 0.000 0.326 320 D N -0.278 119.990 120.400 -0.220 0.000 3.455 320 D HA -0.137 4.496 4.640 -0.013 0.000 0.216 320 D C -1.605 174.597 176.300 -0.163 0.000 1.510 320 D CA 1.487 55.305 54.000 -0.304 0.000 1.128 320 D CB -1.283 39.125 40.800 -0.653 0.000 0.680 320 D HN 0.411 nan 8.370 nan 0.000 0.828 321 P HA 0.048 nan 4.420 nan 0.000 0.222 321 P C 0.381 177.671 177.300 -0.017 0.000 1.147 321 P CA 0.883 63.959 63.100 -0.040 0.000 0.790 321 P CB 0.253 31.958 31.700 0.009 0.000 0.780 322 V N -0.517 119.388 119.914 -0.016 0.000 3.559 322 V HA -0.209 3.903 4.120 -0.013 0.000 0.476 322 V C -0.281 175.830 176.094 0.029 0.000 0.682 322 V CA 1.161 63.463 62.300 0.002 0.000 1.988 322 V CB -1.250 30.567 31.823 -0.010 0.000 2.423 322 V HN 0.577 nan 8.190 nan 0.000 0.500 323 R N 2.864 123.392 120.500 0.046 0.000 7.363 323 R HA 0.024 4.357 4.340 -0.013 0.000 0.261 323 R C 0.005 176.352 176.300 0.078 0.000 0.794 323 R CA 0.494 56.630 56.100 0.061 0.000 1.826 323 R CB -0.206 30.133 30.300 0.065 0.000 1.258 323 R HN 0.809 nan 8.270 nan 0.000 0.877 324 T N 2.861 117.455 114.554 0.066 0.000 3.057 324 T HA -0.036 4.307 4.350 -0.013 0.000 0.232 324 T C 0.227 174.970 174.700 0.072 0.000 1.018 324 T CA 0.365 62.476 62.100 0.018 0.000 1.506 324 T CB -0.792 68.113 68.868 0.061 0.000 1.063 324 T HN 0.353 nan 8.240 nan 0.000 0.613 325 N N 1.315 120.069 118.700 0.090 0.000 2.420 325 N HA 0.301 5.033 4.740 -0.013 0.000 0.249 325 N C 0.166 175.762 175.510 0.143 0.000 1.033 325 N CA -0.530 52.621 53.050 0.168 0.000 0.944 325 N CB 0.449 39.048 38.487 0.186 0.000 1.113 325 N HN 0.391 nan 8.380 nan 0.000 0.502 326 F N 0.652 120.689 119.950 0.146 0.000 2.816 326 F HA 0.019 4.538 4.527 -0.013 0.000 0.302 326 F C 1.564 177.403 175.800 0.066 0.000 1.178 326 F CA 0.192 58.238 58.000 0.076 0.000 1.421 326 F CB 0.176 39.102 39.000 -0.124 0.000 1.114 326 F HN 0.561 nan 8.300 nan 0.000 0.573 327 D N 0.284 120.821 120.400 0.229 0.000 2.218 327 D HA -0.139 4.493 4.640 -0.013 0.000 0.204 327 D C 2.121 178.521 176.300 0.167 0.000 0.976 327 D CA 1.201 55.304 54.000 0.172 0.000 0.853 327 D CB 0.110 41.002 40.800 0.153 0.000 0.939 327 D HN 0.336 nan 8.370 nan 0.000 0.481 328 A N -0.179 122.773 122.820 0.221 0.000 2.275 328 A HA 0.073 4.385 4.320 -0.013 0.000 0.212 328 A C 1.609 179.230 177.584 0.063 0.000 1.201 328 A CA -0.366 51.809 52.037 0.229 0.000 0.843 328 A CB -0.578 18.721 19.000 0.499 0.000 0.873 328 A HN 0.128 nan 8.150 nan 0.000 0.492 329 F N 1.968 121.743 119.950 -0.293 0.000 2.065 329 F HA -0.149 4.370 4.527 -0.013 0.000 0.298 329 F C -0.740 174.864 175.800 -0.325 0.000 1.112 329 F CA 2.584 60.171 58.000 -0.688 0.000 1.212 329 F CB -0.512 38.166 39.000 -0.538 0.000 0.975 329 F HN 0.207 nan 8.300 nan 0.000 0.476 330 P HA -0.108 nan 4.420 nan 0.000 0.222 330 P C 0.662 177.889 177.300 -0.121 0.000 1.147 330 P CA 1.534 64.559 63.100 -0.125 0.000 0.790 330 P CB -0.075 31.601 31.700 -0.041 0.000 0.780 331 D N -1.072 119.289 120.400 -0.065 0.000 2.347 331 D HA -0.025 4.607 4.640 -0.013 0.000 0.213 331 D C 1.520 177.810 176.300 -0.016 0.000 0.985 331 D CA 0.842 54.838 54.000 -0.006 0.000 0.879 331 D CB 0.073 40.914 40.800 0.069 0.000 0.919 331 D HN 0.126 nan 8.370 nan 0.000 0.526 332 K N -0.207 120.131 120.400 -0.102 0.000 2.412 332 K HA 0.217 4.529 4.320 -0.013 0.000 0.202 332 K C -0.027 176.450 176.600 -0.206 0.000 1.102 332 K CA 0.091 56.332 56.287 -0.077 0.000 1.027 332 K CB 2.237 34.779 32.500 0.070 0.000 0.931 332 K HN -0.062 nan 8.250 nan 0.000 0.557 333 V N 0.826 120.502 119.914 -0.396 0.000 2.789 333 V HA 0.714 4.827 4.120 -0.013 0.000 0.311 333 V C -1.176 174.782 176.094 -0.228 0.000 1.073 333 V CA -1.229 60.838 62.300 -0.388 0.000 0.921 333 V CB 1.943 33.235 31.823 -0.885 0.000 1.009 333 V HN 0.118 nan 8.190 nan 0.000 0.426 334 A N 4.815 127.574 122.820 -0.102 0.000 2.402 334 A HA 0.890 5.202 4.320 -0.013 0.000 0.291 334 A C -1.140 176.450 177.584 0.010 0.000 1.051 334 A CA -0.418 51.596 52.037 -0.038 0.000 0.716 334 A CB 1.297 20.241 19.000 -0.093 0.000 1.223 334 A HN 1.284 nan 8.150 nan 0.000 0.425 335 I N 0.629 121.257 120.570 0.096 0.000 2.418 335 I HA 0.721 4.883 4.170 -0.013 0.000 0.287 335 I C -0.639 175.569 176.117 0.152 0.000 1.008 335 I CA -0.444 60.932 61.300 0.126 0.000 1.104 335 I CB 1.897 39.954 38.000 0.095 0.000 1.264 335 I HN 0.536 nan 8.210 nan 0.000 0.438 336 Q N 5.938 125.834 119.800 0.161 0.000 2.278 336 Q HA 0.518 4.850 4.340 -0.013 0.000 0.257 336 Q C -1.628 174.397 176.000 0.042 0.000 0.928 336 Q CA -0.430 55.508 55.803 0.226 0.000 0.932 336 Q CB 1.446 30.446 28.738 0.438 0.000 1.221 336 Q HN 0.763 nan 8.270 nan 0.000 0.434 337 L N 4.374 125.656 121.223 0.099 0.000 2.261 337 L HA 0.316 4.649 4.340 -0.013 0.000 0.289 337 L C -0.224 176.694 176.870 0.081 0.000 1.059 337 L CA -0.187 54.693 54.840 0.068 0.000 0.816 337 L CB 0.418 42.554 42.059 0.129 0.000 1.191 337 L HN 0.614 nan 8.230 nan 0.000 0.431 338 N N 4.010 122.663 118.700 -0.078 0.000 2.466 338 N HA 0.112 4.844 4.740 -0.013 0.000 0.263 338 N C -0.045 175.490 175.510 0.043 0.000 1.178 338 N CA 0.559 53.611 53.050 0.004 0.000 0.983 338 N CB -0.204 38.176 38.487 -0.179 0.000 1.331 338 N HN 0.563 nan 8.380 nan 0.000 0.500 339 D N -0.406 120.136 120.400 0.236 0.000 4.259 339 D HA -0.221 4.411 4.640 -0.013 0.000 0.290 339 D C 0.404 176.779 176.300 0.126 0.000 2.199 339 D CA 1.558 55.678 54.000 0.200 0.000 1.194 339 D CB -0.656 39.982 40.800 -0.271 0.000 1.003 339 D HN 0.464 nan 8.370 nan 0.000 1.204 340 T N -2.499 112.028 114.554 -0.045 0.000 3.107 340 T HA 0.136 4.479 4.350 -0.013 0.000 0.249 340 T C 1.648 176.376 174.700 0.048 0.000 1.096 340 T CA 1.465 63.519 62.100 -0.077 0.000 1.012 340 T CB -0.506 68.292 68.868 -0.115 0.000 0.977 340 T HN 0.508 nan 8.240 nan 0.000 0.527 341 H N 2.603 121.744 119.070 0.118 0.000 2.353 341 H HA -0.008 4.541 4.556 -0.013 0.000 0.298 341 H C -0.887 174.523 175.328 0.137 0.000 1.103 341 H CA 1.133 57.273 56.048 0.153 0.000 1.293 341 H CB -0.785 29.068 29.762 0.152 0.000 1.372 341 H HN 0.446 nan 8.280 nan 0.000 0.501 342 P HA 0.076 nan 4.420 nan 0.000 0.259 342 P C 0.801 178.140 177.300 0.064 0.000 1.530 342 P CA 0.344 63.519 63.100 0.125 0.000 1.022 342 P CB 0.372 32.133 31.700 0.102 0.000 1.514 343 S N -0.235 115.495 115.700 0.049 0.000 2.440 343 S HA -0.128 4.334 4.470 -0.013 0.000 0.238 343 S C 1.699 176.302 174.600 0.005 0.000 1.010 343 S CA 0.826 59.016 58.200 -0.017 0.000 0.972 343 S CB -1.459 61.705 63.200 -0.059 0.000 0.774 343 S HN 0.149 nan 8.310 nan 0.000 0.501 344 L N 0.900 122.147 121.223 0.040 0.000 2.456 344 L HA 0.070 4.402 4.340 -0.013 0.000 0.224 344 L C 2.933 179.850 176.870 0.078 0.000 1.148 344 L CA 0.590 55.465 54.840 0.058 0.000 0.825 344 L CB -0.714 41.390 42.059 0.075 0.000 0.937 344 L HN 0.474 nan 8.230 nan 0.000 0.450 345 A N 0.594 123.434 122.820 0.033 0.000 1.940 345 A HA -0.211 4.101 4.320 -0.013 0.000 0.219 345 A C 2.175 179.759 177.584 -0.001 0.000 1.176 345 A CA 1.553 53.592 52.037 0.003 0.000 0.631 345 A CB -0.476 18.514 19.000 -0.017 0.000 0.814 345 A HN 0.359 nan 8.150 nan 0.000 0.446 346 I N 0.310 120.880 120.570 -0.000 0.000 2.090 346 I HA -0.155 4.007 4.170 -0.013 0.000 0.236 346 I C -0.343 175.786 176.117 0.019 0.000 1.064 346 I CA 1.707 63.003 61.300 -0.008 0.000 1.324 346 I CB -0.929 37.070 38.000 -0.001 0.000 1.044 346 I HN 0.251 nan 8.210 nan 0.000 0.399 347 P HA -0.173 nan 4.420 nan 0.000 0.223 347 P C 1.225 178.506 177.300 -0.031 0.000 1.151 347 P CA 1.485 64.602 63.100 0.029 0.000 0.787 347 P CB 0.027 31.765 31.700 0.063 0.000 0.788 348 E N 0.228 120.480 120.200 0.087 0.000 2.107 348 E HA -0.128 4.214 4.350 -0.013 0.000 0.191 348 E C 1.887 178.451 176.600 -0.060 0.000 0.982 348 E CA 0.533 56.995 56.400 0.103 0.000 0.809 348 E CB -1.164 28.681 29.700 0.242 0.000 0.756 348 E HN -0.016 nan 8.360 nan 0.000 0.459 349 L N 0.045 121.213 121.223 -0.091 0.000 2.131 349 L HA -0.050 4.282 4.340 -0.013 0.000 0.210 349 L C 1.941 178.661 176.870 -0.249 0.000 1.092 349 L CA 1.635 56.368 54.840 -0.178 0.000 0.759 349 L CB -0.502 41.461 42.059 -0.160 0.000 0.903 349 L HN 0.245 nan 8.230 nan 0.000 0.435 350 M N -0.851 118.616 119.600 -0.222 0.000 2.099 350 M HA -0.161 4.311 4.480 -0.013 0.000 0.262 350 M C 2.402 178.520 176.300 -0.302 0.000 1.067 350 M CA 1.448 56.564 55.300 -0.307 0.000 1.124 350 M CB -1.101 31.307 32.600 -0.320 0.000 1.353 350 M HN 0.299 nan 8.290 nan 0.000 0.410 351 R N 0.047 120.388 120.500 -0.265 0.000 2.094 351 R HA -0.164 4.169 4.340 -0.013 0.000 0.239 351 R C 2.080 178.261 176.300 -0.197 0.000 1.137 351 R CA 1.997 57.946 56.100 -0.252 0.000 0.943 351 R CB -0.351 29.744 30.300 -0.341 0.000 0.850 351 R HN 0.188 nan 8.270 nan 0.000 0.433 352 V N 1.394 121.193 119.914 -0.192 0.000 2.255 352 V HA -0.280 3.832 4.120 -0.013 0.000 0.247 352 V C 2.465 178.394 176.094 -0.275 0.000 1.051 352 V CA 1.980 64.165 62.300 -0.192 0.000 1.018 352 V CB -0.459 31.247 31.823 -0.195 0.000 0.641 352 V HN 0.364 nan 8.190 nan 0.000 0.445 353 L N -0.660 120.334 121.223 -0.381 0.000 2.012 353 L HA -0.178 4.154 4.340 -0.013 0.000 0.210 353 L C 2.405 179.082 176.870 -0.322 0.000 1.073 353 L CA 1.361 55.912 54.840 -0.481 0.000 0.748 353 L CB -0.620 41.114 42.059 -0.541 0.000 0.891 353 L HN 0.216 nan 8.230 nan 0.000 0.431 354 V N -0.598 119.163 119.914 -0.254 0.000 2.300 354 V HA -0.198 3.914 4.120 -0.013 0.000 0.241 354 V C 2.056 178.096 176.094 -0.089 0.000 1.034 354 V CA 1.713 63.923 62.300 -0.150 0.000 1.021 354 V CB -0.358 31.392 31.823 -0.121 0.000 0.662 354 V HN 0.360 nan 8.190 nan 0.000 0.458 355 D N 0.116 120.460 120.400 -0.094 0.000 2.097 355 D HA -0.071 4.561 4.640 -0.013 0.000 0.197 355 D C 2.085 178.353 176.300 -0.053 0.000 0.984 355 D CA 1.358 55.323 54.000 -0.058 0.000 0.826 355 D CB -0.089 40.673 40.800 -0.063 0.000 0.973 355 D HN 0.316 nan 8.370 nan 0.000 0.460 356 L N 0.357 121.534 121.223 -0.078 0.000 2.189 356 L HA 0.064 4.396 4.340 -0.013 0.000 0.199 356 L C 2.022 178.857 176.870 -0.059 0.000 1.074 356 L CA 0.614 55.419 54.840 -0.058 0.000 0.783 356 L CB -0.269 41.757 42.059 -0.056 0.000 0.955 356 L HN -0.146 nan 8.230 nan 0.000 0.460 357 E N 0.768 120.897 120.200 -0.118 0.000 2.427 357 E HA -0.024 4.318 4.350 -0.013 0.000 0.196 357 E C 0.109 176.667 176.600 -0.070 0.000 1.028 357 E CA 0.027 56.363 56.400 -0.106 0.000 0.864 357 E CB 0.127 29.652 29.700 -0.291 0.000 0.813 357 E HN 0.277 nan 8.360 nan 0.000 0.514 358 R N -0.044 120.410 120.500 -0.077 0.000 3.423 358 R HA -0.189 4.143 4.340 -0.013 0.000 0.271 358 R C -0.515 175.766 176.300 -0.032 0.000 1.093 358 R CA 0.241 56.319 56.100 -0.036 0.000 0.730 358 R CB -2.506 27.793 30.300 -0.002 0.000 1.190 358 R HN 0.047 nan 8.270 nan 0.000 0.437 359 L N 1.670 122.845 121.223 -0.080 0.000 2.421 359 L HA 0.208 4.540 4.340 -0.013 0.000 0.263 359 L C 1.269 178.127 176.870 -0.019 0.000 1.122 359 L CA 0.017 54.821 54.840 -0.058 0.000 0.804 359 L CB 0.548 42.526 42.059 -0.136 0.000 1.150 359 L HN 0.141 nan 8.230 nan 0.000 0.457 360 D N 0.385 120.799 120.400 0.025 0.000 2.357 360 D HA -0.131 4.501 4.640 -0.013 0.000 0.242 360 D C 0.939 177.299 176.300 0.101 0.000 1.153 360 D CA -0.495 53.554 54.000 0.081 0.000 0.918 360 D CB 0.729 41.584 40.800 0.092 0.000 1.181 360 D HN 0.593 nan 8.370 nan 0.000 0.435 361 W N 2.035 123.337 121.300 0.003 0.000 2.298 361 W HA -0.252 4.400 4.660 -0.013 0.000 0.328 361 W C 1.257 177.817 176.519 0.069 0.000 1.259 361 W CA 2.045 59.398 57.345 0.013 0.000 1.251 361 W CB -0.362 29.086 29.460 -0.019 0.000 1.161 361 W HN 0.494 nan 8.180 nan 0.000 0.466 362 D N 0.124 120.722 120.400 0.331 0.000 2.133 362 D HA -0.220 4.413 4.640 -0.013 0.000 0.195 362 D C 2.035 178.430 176.300 0.160 0.000 0.997 362 D CA 1.498 55.661 54.000 0.271 0.000 0.840 362 D CB -0.475 40.463 40.800 0.230 0.000 0.947 362 D HN 0.109 nan 8.370 nan 0.000 0.452 363 K N 0.911 121.366 120.400 0.090 0.000 2.097 363 K HA -0.009 4.303 4.320 -0.013 0.000 0.205 363 K C 1.968 178.556 176.600 -0.019 0.000 1.050 363 K CA 0.821 57.136 56.287 0.046 0.000 0.938 363 K CB -0.190 32.334 32.500 0.040 0.000 0.718 363 K HN 0.034 nan 8.250 nan 0.000 0.442 364 A N 0.776 123.541 122.820 -0.090 0.000 1.873 364 A HA -0.183 4.129 4.320 -0.013 0.000 0.215 364 A C 2.132 179.620 177.584 -0.160 0.000 1.186 364 A CA 1.231 53.144 52.037 -0.207 0.000 0.616 364 A CB -1.059 17.741 19.000 -0.333 0.000 0.823 364 A HN 0.632 nan 8.150 nan 0.000 0.442 365 W N 0.749 121.837 121.300 -0.353 0.000 2.358 365 W HA -0.180 4.473 4.660 -0.013 0.000 0.303 365 W C 2.011 178.469 176.519 -0.102 0.000 1.208 365 W CA 1.889 59.082 57.345 -0.253 0.000 1.274 365 W CB -0.104 29.257 29.460 -0.165 0.000 1.138 365 W HN 0.610 nan 8.180 nan 0.000 0.515 366 E N 0.113 120.312 120.200 -0.002 0.000 2.058 366 E HA -0.228 4.114 4.350 -0.013 0.000 0.194 366 E C 2.028 178.548 176.600 -0.133 0.000 0.997 366 E CA 1.960 58.318 56.400 -0.070 0.000 0.801 366 E CB -0.320 29.395 29.700 0.025 0.000 0.746 366 E HN 0.078 nan 8.360 nan 0.000 0.450 367 V N 0.768 120.620 119.914 -0.104 0.000 2.295 367 V HA -0.266 3.846 4.120 -0.013 0.000 0.246 367 V C 2.440 178.463 176.094 -0.119 0.000 1.049 367 V CA 2.204 64.457 62.300 -0.077 0.000 1.024 367 V CB -0.864 30.909 31.823 -0.084 0.000 0.648 367 V HN 0.376 nan 8.190 nan 0.000 0.447 368 T N 0.176 114.593 114.554 -0.229 0.000 2.607 368 T HA -0.213 4.129 4.350 -0.013 0.000 0.267 368 T C 1.948 176.462 174.700 -0.310 0.000 1.049 368 T CA 1.946 63.885 62.100 -0.269 0.000 1.162 368 T CB -0.383 68.269 68.868 -0.359 0.000 0.863 368 T HN 0.263 nan 8.240 nan 0.000 0.424 369 V N 1.247 120.840 119.914 -0.535 0.000 2.332 369 V HA -0.198 3.914 4.120 -0.013 0.000 0.248 369 V C 2.410 178.426 176.094 -0.129 0.000 1.055 369 V CA 1.695 63.735 62.300 -0.433 0.000 1.038 369 V CB -0.501 30.979 31.823 -0.571 0.000 0.651 369 V HN 0.436 nan 8.190 nan 0.000 0.450 370 K N -0.424 119.888 120.400 -0.146 0.000 2.283 370 K HA -0.117 4.195 4.320 -0.013 0.000 0.202 370 K C 2.143 178.679 176.600 -0.108 0.000 1.048 370 K CA 1.553 57.748 56.287 -0.153 0.000 0.948 370 K CB -0.118 32.302 32.500 -0.134 0.000 0.742 370 K HN 0.664 nan 8.250 nan 0.000 0.458 371 T N -2.148 112.411 114.554 0.008 0.000 3.014 371 T HA 0.103 4.445 4.350 -0.013 0.000 0.250 371 T C 0.586 175.378 174.700 0.153 0.000 1.060 371 T CA -0.341 61.798 62.100 0.065 0.000 1.040 371 T CB 0.006 68.920 68.868 0.076 0.000 0.971 371 T HN 0.003 nan 8.240 nan 0.000 0.497 372 C N 2.628 122.011 119.300 0.138 0.000 2.365 372 C HA 0.916 5.368 4.460 -0.013 0.000 0.351 372 C C 0.559 175.623 174.990 0.123 0.000 1.240 372 C CA -0.794 58.293 59.018 0.114 0.000 2.062 372 C CB 0.213 27.955 27.740 0.004 0.000 2.387 372 C HN 0.741 nan 8.230 nan 0.000 0.537 373 A N 2.394 125.277 122.820 0.104 0.000 2.422 373 A HA 0.721 5.034 4.320 -0.013 0.000 0.302 373 A C -1.466 176.196 177.584 0.130 0.000 1.041 373 A CA -0.401 51.647 52.037 0.018 0.000 0.708 373 A CB 0.932 19.971 19.000 0.065 0.000 1.257 373 A HN 0.940 nan 8.150 nan 0.000 0.414 374 Y N 1.482 121.730 120.300 -0.087 0.000 2.364 374 Y HA 0.635 5.177 4.550 -0.013 0.000 0.340 374 Y C -0.449 175.430 175.900 -0.034 0.000 0.975 374 Y CA -0.362 57.700 58.100 -0.062 0.000 1.089 374 Y CB 1.927 40.305 38.460 -0.137 0.000 1.192 374 Y HN 0.562 nan 8.280 nan 0.000 0.454 375 T N 6.561 120.976 114.554 -0.232 0.000 2.758 375 T HA 0.177 4.519 4.350 -0.013 0.000 0.285 375 T C -0.761 173.535 174.700 -0.673 0.000 0.981 375 T CA -0.791 61.084 62.100 -0.375 0.000 0.965 375 T CB 0.454 69.331 68.868 0.016 0.000 0.927 375 T HN 0.635 nan 8.240 nan 0.000 0.448 376 N N 1.697 119.965 118.700 -0.720 0.000 2.456 376 N HA 0.148 4.880 4.740 -0.013 0.000 0.288 376 N C 0.029 175.431 175.510 -0.180 0.000 1.059 376 N CA -0.340 52.511 53.050 -0.332 0.000 0.946 376 N CB 0.812 39.250 38.487 -0.082 0.000 1.150 376 N HN 0.685 nan 8.380 nan 0.000 0.479 377 H N 0.857 119.960 119.070 0.055 0.000 3.058 377 H HA 0.165 4.713 4.556 -0.013 0.000 0.266 377 H C -0.177 175.071 175.328 -0.133 0.000 1.135 377 H CA -0.060 55.965 56.048 -0.039 0.000 1.174 377 H CB 1.177 30.924 29.762 -0.024 0.000 1.581 377 H HN 0.543 nan 8.280 nan 0.000 0.553 378 T N 0.062 114.648 114.554 0.053 0.000 2.775 378 T HA 0.246 4.589 4.350 -0.013 0.000 0.320 378 T C 0.173 174.900 174.700 0.044 0.000 1.597 378 T CA -0.224 61.855 62.100 -0.035 0.000 1.022 378 T CB 1.294 70.139 68.868 -0.037 0.000 1.485 378 T HN -0.046 nan 8.240 nan 0.000 0.494 379 V N 0.971 120.868 119.914 -0.029 0.000 3.432 379 V HA 0.511 4.623 4.120 -0.013 0.000 0.298 379 V C 0.786 176.843 176.094 -0.062 0.000 1.464 379 V CA -0.002 62.274 62.300 -0.041 0.000 1.046 379 V CB -0.570 31.231 31.823 -0.036 0.000 0.887 379 V HN 0.806 nan 8.190 nan 0.000 0.441 380 I N -0.096 120.429 120.570 -0.076 0.000 2.556 380 I HA 0.338 4.500 4.170 -0.013 0.000 0.284 380 I C -0.695 175.417 176.117 -0.008 0.000 1.114 380 I CA -1.698 59.582 61.300 -0.034 0.000 1.418 380 I CB 0.592 38.570 38.000 -0.036 0.000 1.394 380 I HN -0.049 nan 8.210 nan 0.000 0.552 381 P HA -0.259 nan 4.420 nan 0.000 0.216 381 P C 1.147 178.436 177.300 -0.017 0.000 1.153 381 P CA 1.659 64.753 63.100 -0.010 0.000 0.858 381 P CB -0.123 31.577 31.700 -0.000 0.000 0.789 382 E N 0.350 120.562 120.200 0.020 0.000 2.401 382 E HA -0.093 4.249 4.350 -0.013 0.000 0.199 382 E C 1.625 178.162 176.600 -0.104 0.000 1.023 382 E CA 1.271 57.652 56.400 -0.031 0.000 0.859 382 E CB -0.745 29.025 29.700 0.116 0.000 0.780 382 E HN 0.236 nan 8.360 nan 0.000 0.523 383 A N 1.020 123.832 122.820 -0.012 0.000 2.147 383 A HA 0.189 4.501 4.320 -0.013 0.000 0.211 383 A C 1.211 178.767 177.584 -0.046 0.000 1.160 383 A CA -0.296 51.751 52.037 0.017 0.000 0.781 383 A CB 0.124 19.163 19.000 0.065 0.000 0.842 383 A HN 0.147 nan 8.150 nan 0.000 0.475 384 L N 1.840 122.996 121.223 -0.111 0.000 2.455 384 L HA 0.115 4.447 4.340 -0.013 0.000 0.272 384 L C -0.016 176.518 176.870 -0.560 0.000 1.174 384 L CA 0.515 55.230 54.840 -0.209 0.000 0.869 384 L CB 0.271 42.247 42.059 -0.139 0.000 1.130 384 L HN 0.403 nan 8.230 nan 0.000 0.474 385 E N 5.010 124.785 120.200 -0.709 0.000 2.129 385 E HA 0.172 4.514 4.350 -0.013 0.000 0.283 385 E C -0.466 175.524 176.600 -1.016 0.000 1.080 385 E CA -0.179 55.373 56.400 -1.414 0.000 0.867 385 E CB 0.597 29.812 29.700 -0.808 0.000 1.056 385 E HN 0.368 nan 8.360 nan 0.000 0.404 386 R N 3.831 123.641 120.500 -1.151 0.000 2.407 386 R HA 0.204 4.536 4.340 -0.013 0.000 0.298 386 R C -1.189 174.961 176.300 -0.250 0.000 1.166 386 R CA -0.566 55.265 56.100 -0.448 0.000 1.006 386 R CB 0.851 31.008 30.300 -0.238 0.000 1.145 386 R HN 0.409 nan 8.270 nan 0.000 0.538 387 W N 4.583 125.848 121.300 -0.058 0.000 2.311 387 W HA 0.264 4.916 4.660 -0.013 0.000 0.310 387 W C -1.888 174.606 176.519 -0.041 0.000 1.274 387 W CA -2.166 55.199 57.345 0.033 0.000 1.215 387 W CB 0.754 30.209 29.460 -0.008 0.000 1.227 387 W HN 0.259 nan 8.180 nan 0.000 0.523 388 P HA -0.099 nan 4.420 nan 0.000 0.264 388 P C 0.787 178.020 177.300 -0.112 0.000 1.193 388 P CA 0.233 63.313 63.100 -0.035 0.000 0.763 388 P CB 0.752 32.286 31.700 -0.275 0.000 0.810 389 V N 3.336 123.237 119.914 -0.021 0.000 2.392 389 V HA -0.285 3.827 4.120 -0.013 0.000 0.249 389 V C 2.141 178.234 176.094 -0.002 0.000 1.059 389 V CA 2.526 64.832 62.300 0.009 0.000 1.051 389 V CB -1.762 30.129 31.823 0.113 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -1.018 118.106 119.070 0.090 0.000 2.457 390 H HA -0.119 4.429 4.556 -0.013 0.000 0.297 390 H C 2.020 177.391 175.328 0.072 0.000 1.092 390 H CA 1.726 57.822 56.048 0.080 0.000 1.309 390 H CB -0.521 29.289 29.762 0.081 0.000 1.382 390 H HN 0.375 nan 8.280 nan 0.000 0.535 391 L N -0.164 120.894 121.223 -0.276 0.000 2.068 391 L HA -0.035 4.297 4.340 -0.013 0.000 0.204 391 L C 2.345 179.154 176.870 -0.103 0.000 1.076 391 L CA 0.773 55.544 54.840 -0.114 0.000 0.753 391 L CB -0.168 41.809 42.059 -0.136 0.000 0.910 391 L HN 0.321 nan 8.230 nan 0.000 0.439 392 L N -0.495 120.644 121.223 -0.140 0.000 2.141 392 L HA -0.231 4.101 4.340 -0.013 0.000 0.209 392 L C 2.500 179.297 176.870 -0.122 0.000 1.094 392 L CA 1.102 55.833 54.840 -0.181 0.000 0.763 392 L CB -0.356 41.591 42.059 -0.187 0.000 0.908 392 L HN 0.345 nan 8.230 nan 0.000 0.437 393 E N -0.500 119.672 120.200 -0.046 0.000 2.077 393 E HA -0.215 4.127 4.350 -0.013 0.000 0.193 393 E C 1.870 178.499 176.600 0.047 0.000 0.989 393 E CA 1.806 58.214 56.400 0.013 0.000 0.800 393 E CB 0.164 29.912 29.700 0.080 0.000 0.746 393 E HN 0.394 nan 8.360 nan 0.000 0.452 394 T N 0.614 115.215 114.554 0.078 0.000 2.894 394 T HA -0.049 4.293 4.350 -0.013 0.000 0.258 394 T C 1.660 176.458 174.700 0.163 0.000 1.043 394 T CA 0.564 62.758 62.100 0.156 0.000 1.141 394 T CB -0.049 68.944 68.868 0.208 0.000 0.873 394 T HN 0.062 nan 8.240 nan 0.000 0.449 395 L N 0.127 121.345 121.223 -0.007 0.000 2.127 395 L HA 0.365 4.697 4.340 -0.013 0.000 0.203 395 L C 0.290 177.076 176.870 -0.140 0.000 1.080 395 L CA 1.537 56.251 54.840 -0.209 0.000 0.768 395 L CB 0.085 41.978 42.059 -0.277 0.000 0.924 395 L HN 0.160 nan 8.230 nan 0.000 0.444 396 L N 0.631 121.729 121.223 -0.210 0.000 2.551 396 L HA 0.296 4.629 4.340 -0.013 0.000 0.248 396 L C -1.672 174.998 176.870 -0.332 0.000 1.509 396 L CA -1.027 53.586 54.840 -0.379 0.000 0.842 396 L CB 0.871 42.519 42.059 -0.684 0.000 1.087 396 L HN -0.075 nan 8.230 nan 0.000 0.512 397 P HA -0.230 nan 4.420 nan 0.000 0.216 397 P C 1.492 178.611 177.300 -0.301 0.000 1.153 397 P CA 1.356 64.338 63.100 -0.196 0.000 0.858 397 P CB 0.339 31.999 31.700 -0.066 0.000 0.789 398 R N -0.675 119.477 120.500 -0.579 0.000 2.115 398 R HA -0.126 4.206 4.340 -0.013 0.000 0.226 398 R C 2.313 178.348 176.300 -0.441 0.000 1.100 398 R CA 1.358 57.144 56.100 -0.524 0.000 0.980 398 R CB -1.178 28.677 30.300 -0.743 0.000 0.875 398 R HN 0.208 nan 8.270 nan 0.000 0.445 399 H N -0.227 118.534 119.070 -0.515 0.000 2.423 399 H HA -0.046 4.503 4.556 -0.013 0.000 0.297 399 H C 1.724 176.883 175.328 -0.281 0.000 1.075 399 H CA 1.556 57.385 56.048 -0.365 0.000 1.342 399 H CB -0.003 29.505 29.762 -0.423 0.000 1.395 399 H HN 0.111 nan 8.280 nan 0.000 0.530 400 L N 0.387 121.494 121.223 -0.193 0.000 2.056 400 L HA -0.225 4.107 4.340 -0.013 0.000 0.207 400 L C 1.829 178.530 176.870 -0.281 0.000 1.078 400 L CA 1.591 56.254 54.840 -0.295 0.000 0.749 400 L CB -0.293 41.609 42.059 -0.262 0.000 0.901 400 L HN 0.419 nan 8.230 nan 0.000 0.433 401 Q N -0.353 119.386 119.800 -0.101 0.000 2.124 401 Q HA -0.230 4.102 4.340 -0.013 0.000 0.202 401 Q C 2.166 178.196 176.000 0.050 0.000 0.977 401 Q CA 1.567 57.399 55.803 0.049 0.000 0.850 401 Q CB -0.031 28.732 28.738 0.041 0.000 0.901 401 Q HN 0.560 nan 8.270 nan 0.000 0.429 402 I N 0.196 120.769 120.570 0.005 0.000 2.353 402 I HA -0.252 3.911 4.170 -0.013 0.000 0.248 402 I C 2.089 178.278 176.117 0.121 0.000 1.119 402 I CA 0.895 62.273 61.300 0.130 0.000 1.417 402 I CB -0.064 37.952 38.000 0.026 0.000 1.078 402 I HN 0.201 nan 8.210 nan 0.000 0.421 403 I N -0.435 120.128 120.570 -0.012 0.000 2.226 403 I HA -0.321 3.842 4.170 -0.013 0.000 0.245 403 I C 2.395 178.527 176.117 0.025 0.000 1.100 403 I CA 1.450 62.730 61.300 -0.032 0.000 1.374 403 I CB -0.389 37.518 38.000 -0.156 0.000 1.057 403 I HN 0.156 nan 8.210 nan 0.000 0.413 404 Y N 0.947 121.250 120.300 0.006 0.000 2.224 404 Y HA -0.282 4.261 4.550 -0.013 0.000 0.289 404 Y C 2.589 178.453 175.900 -0.059 0.000 1.146 404 Y CA 1.661 59.751 58.100 -0.016 0.000 1.182 404 Y CB -0.718 37.725 38.460 -0.028 0.000 0.983 404 Y HN 0.242 nan 8.280 nan 0.000 0.524 405 E N 0.305 120.545 120.200 0.067 0.000 2.107 405 E HA -0.127 4.216 4.350 -0.013 0.000 0.191 405 E C 2.003 178.511 176.600 -0.154 0.000 0.982 405 E CA 1.193 57.492 56.400 -0.168 0.000 0.809 405 E CB -0.560 28.890 29.700 -0.416 0.000 0.756 405 E HN 0.481 nan 8.360 nan 0.000 0.459 406 I N 0.687 121.261 120.570 0.007 0.000 2.179 406 I HA -0.256 3.907 4.170 -0.013 0.000 0.242 406 I C 2.266 178.380 176.117 -0.006 0.000 1.088 406 I CA 1.316 62.576 61.300 -0.067 0.000 1.357 406 I CB -0.364 37.606 38.000 -0.049 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.409 407 N N 0.695 119.447 118.700 0.087 0.000 2.069 407 N HA -0.261 4.471 4.740 -0.013 0.000 0.191 407 N C 1.869 177.464 175.510 0.142 0.000 1.031 407 N CA 1.605 54.764 53.050 0.182 0.000 0.852 407 N CB -0.113 38.499 38.487 0.207 0.000 1.018 407 N HN 0.268 nan 8.380 nan 0.000 0.423 408 Q N -0.212 119.616 119.800 0.046 0.000 2.045 408 Q HA -0.135 4.197 4.340 -0.013 0.000 0.206 408 Q C 2.046 178.026 176.000 -0.033 0.000 0.991 408 Q CA 1.705 57.497 55.803 -0.019 0.000 0.851 408 Q CB 0.000 28.682 28.738 -0.094 0.000 0.911 408 Q HN 0.418 nan 8.270 nan 0.000 0.418 409 R N -0.872 119.587 120.500 -0.068 0.000 2.115 409 R HA -0.113 4.220 4.340 -0.013 0.000 0.226 409 R C 2.135 178.465 176.300 0.051 0.000 1.100 409 R CA 1.049 57.111 56.100 -0.063 0.000 0.980 409 R CB -0.335 29.873 30.300 -0.153 0.000 0.875 409 R HN 0.255 nan 8.270 nan 0.000 0.445 410 F N 1.826 121.754 119.950 -0.038 0.000 2.084 410 F HA -0.077 4.442 4.527 -0.013 0.000 0.296 410 F C 1.926 177.754 175.800 0.047 0.000 1.111 410 F CA 1.227 59.255 58.000 0.046 0.000 1.224 410 F CB -0.382 38.678 39.000 0.100 0.000 0.991 410 F HN -0.146 nan 8.300 nan 0.000 0.471 411 L N 0.225 121.426 121.223 -0.036 0.000 2.079 411 L HA -0.292 4.040 4.340 -0.013 0.000 0.210 411 L C 2.035 178.818 176.870 -0.145 0.000 1.081 411 L CA 1.895 56.644 54.840 -0.151 0.000 0.752 411 L CB -0.960 41.088 42.059 -0.018 0.000 0.896 411 L HN 0.285 nan 8.230 nan 0.000 0.433 412 N N -0.501 118.147 118.700 -0.087 0.000 2.223 412 N HA -0.175 4.557 4.740 -0.013 0.000 0.185 412 N C 1.941 177.400 175.510 -0.086 0.000 1.016 412 N CA 0.600 53.605 53.050 -0.073 0.000 0.863 412 N CB 0.019 38.472 38.487 -0.056 0.000 0.983 412 N HN 0.244 nan 8.380 nan 0.000 0.429 413 R N 0.543 120.977 120.500 -0.109 0.000 2.066 413 R HA -0.048 4.284 4.340 -0.013 0.000 0.232 413 R C 2.114 178.326 176.300 -0.146 0.000 1.131 413 R CA 0.858 56.898 56.100 -0.099 0.000 0.955 413 R CB -0.202 30.062 30.300 -0.059 0.000 0.851 413 R HN 0.029 nan 8.270 nan 0.000 0.432 414 V N 0.786 120.556 119.914 -0.240 0.000 2.255 414 V HA -0.279 3.833 4.120 -0.013 0.000 0.247 414 V C 2.386 178.477 176.094 -0.005 0.000 1.051 414 V CA 2.035 64.260 62.300 -0.125 0.000 1.018 414 V CB -0.871 30.800 31.823 -0.254 0.000 0.641 414 V HN 0.484 nan 8.190 nan 0.000 0.445 415 A N 0.150 122.940 122.820 -0.050 0.000 1.892 415 A HA -0.234 4.078 4.320 -0.013 0.000 0.218 415 A C 2.408 179.969 177.584 -0.037 0.000 1.188 415 A CA 2.577 54.601 52.037 -0.022 0.000 0.631 415 A CB -0.934 18.042 19.000 -0.040 0.000 0.822 415 A HN 0.641 nan 8.150 nan 0.000 0.447 416 A N -0.742 122.036 122.820 -0.069 0.000 1.969 416 A HA 0.227 4.539 4.320 -0.013 0.000 0.218 416 A C 2.398 179.892 177.584 -0.150 0.000 1.169 416 A CA 1.970 53.955 52.037 -0.087 0.000 0.635 416 A CB -0.724 18.231 19.000 -0.076 0.000 0.810 416 A HN 1.053 nan 8.150 nan 0.000 0.445 417 A N -1.497 121.186 122.820 -0.229 0.000 1.935 417 A HA 0.371 4.683 4.320 -0.013 0.000 0.214 417 A C 0.498 177.633 177.584 -0.748 0.000 1.178 417 A CA 0.510 52.231 52.037 -0.526 0.000 0.640 417 A CB -0.138 18.444 19.000 -0.696 0.000 0.825 417 A HN 0.428 nan 8.150 nan 0.000 0.447 418 F N 0.230 120.132 119.950 -0.081 0.000 2.531 418 F HA 0.353 4.872 4.527 -0.013 0.000 0.333 418 F C -2.734 173.027 175.800 -0.065 0.000 1.292 418 F CA -2.904 55.052 58.000 -0.072 0.000 1.184 418 F CB 0.682 39.630 39.000 -0.086 0.000 1.426 418 F HN -0.065 nan 8.300 nan 0.000 0.559 419 P HA 0.129 nan 4.420 nan 0.000 0.261 419 P C 1.049 178.369 177.300 0.032 0.000 1.183 419 P CA 1.206 64.318 63.100 0.019 0.000 0.761 419 P CB 0.752 32.446 31.700 -0.011 0.000 0.785 420 G N 2.917 111.728 108.800 0.019 0.000 2.267 420 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.257 420 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.257 420 G C 0.433 175.340 174.900 0.012 0.000 0.998 420 G CA 0.048 45.155 45.100 0.012 0.000 0.620 420 G HN 0.584 nan 8.290 nan 0.000 0.529 421 D N 1.141 121.558 120.400 0.028 0.000 2.545 421 D HA 0.359 4.992 4.640 -0.013 0.000 0.227 421 D C 1.618 177.904 176.300 -0.024 0.000 1.150 421 D CA 0.495 54.495 54.000 -0.001 0.000 1.046 421 D CB 0.512 41.307 40.800 -0.008 0.000 1.098 421 D HN 0.150 nan 8.370 nan 0.000 0.502 422 V N 2.665 122.568 119.914 -0.019 0.000 2.626 422 V HA -0.209 3.903 4.120 -0.013 0.000 0.252 422 V C 1.694 177.772 176.094 -0.027 0.000 1.067 422 V CA 1.860 64.148 62.300 -0.020 0.000 1.081 422 V CB 0.009 31.825 31.823 -0.013 0.000 0.686 422 V HN 0.373 nan 8.190 nan 0.000 0.468 423 D N -0.492 119.887 120.400 -0.034 0.000 2.194 423 D HA -0.164 4.468 4.640 -0.013 0.000 0.204 423 D C 2.304 178.572 176.300 -0.053 0.000 0.964 423 D CA 1.080 55.060 54.000 -0.033 0.000 0.846 423 D CB -0.161 40.620 40.800 -0.032 0.000 0.962 423 D HN 0.410 nan 8.370 nan 0.000 0.490 424 R N -0.341 120.101 120.500 -0.095 0.000 2.081 424 R HA -0.123 4.209 4.340 -0.013 0.000 0.235 424 R C 1.872 178.095 176.300 -0.129 0.000 1.131 424 R CA 0.855 56.859 56.100 -0.161 0.000 0.960 424 R CB -0.302 29.839 30.300 -0.265 0.000 0.856 424 R HN 0.145 nan 8.270 nan 0.000 0.436 425 L N 1.485 122.657 121.223 -0.085 0.000 1.990 425 L HA -0.209 4.123 4.340 -0.013 0.000 0.213 425 L C 2.601 179.468 176.870 -0.005 0.000 1.072 425 L CA 2.282 57.089 54.840 -0.055 0.000 0.755 425 L CB -0.818 41.221 42.059 -0.033 0.000 0.889 425 L HN 0.315 nan 8.230 nan 0.000 0.432 426 R N -1.098 119.408 120.500 0.010 0.000 2.115 426 R HA -0.095 4.237 4.340 -0.013 0.000 0.230 426 R C 2.203 178.556 176.300 0.088 0.000 1.111 426 R CA 1.178 57.308 56.100 0.051 0.000 0.976 426 R CB -0.655 29.668 30.300 0.039 0.000 0.870 426 R HN 0.193 nan 8.270 nan 0.000 0.445 427 R N 0.164 120.697 120.500 0.056 0.000 2.092 427 R HA 0.075 4.407 4.340 -0.013 0.000 0.231 427 R C 2.118 178.522 176.300 0.172 0.000 1.119 427 R CA 1.853 58.013 56.100 0.100 0.000 0.970 427 R CB -0.188 30.127 30.300 0.025 0.000 0.864 427 R HN 0.328 nan 8.270 nan 0.000 0.440 428 M N 0.098 119.721 119.600 0.038 0.000 2.541 428 M HA 0.019 4.491 4.480 -0.013 0.000 0.252 428 M C 0.868 177.367 176.300 0.331 0.000 1.125 428 M CA 0.066 55.358 55.300 -0.013 0.000 1.091 428 M CB 0.369 32.780 32.600 -0.316 0.000 1.420 428 M HN -0.067 nan 8.290 nan 0.000 0.486 429 S N 0.943 116.829 115.700 0.310 0.000 2.558 429 S HA 0.026 4.488 4.470 -0.013 0.000 0.287 429 S C 1.139 176.025 174.600 0.477 0.000 1.321 429 S CA -0.184 58.224 58.200 0.348 0.000 1.048 429 S CB 0.537 63.871 63.200 0.225 0.000 0.844 429 S HN 0.351 nan 8.310 nan 0.000 0.512 430 L N 3.896 125.347 121.223 0.379 0.000 2.395 430 L HA 0.118 4.450 4.340 -0.013 0.000 0.218 430 L C 0.212 177.189 176.870 0.179 0.000 1.130 430 L CA 0.304 55.316 54.840 0.286 0.000 0.826 430 L CB -0.388 41.785 42.059 0.189 0.000 0.941 430 L HN 0.387 nan 8.230 nan 0.000 0.451 431 V N 0.614 120.650 119.914 0.203 0.000 2.370 431 V HA 0.203 4.316 4.120 -0.013 0.000 0.279 431 V C 0.003 176.184 176.094 0.143 0.000 1.029 431 V CA -0.605 61.798 62.300 0.173 0.000 0.870 431 V CB 1.655 33.620 31.823 0.237 0.000 0.984 431 V HN 0.159 nan 8.190 nan 0.000 0.451 432 E N 3.098 123.360 120.200 0.103 0.000 2.134 432 E HA 0.424 4.766 4.350 -0.013 0.000 0.278 432 E C -0.717 175.933 176.600 0.082 0.000 0.959 432 E CA -0.540 55.910 56.400 0.084 0.000 0.783 432 E CB 2.013 31.741 29.700 0.047 0.000 1.095 432 E HN 0.629 nan 8.360 nan 0.000 0.399 433 E N 1.004 121.250 120.200 0.077 0.000 2.312 433 E HA 0.646 4.988 4.350 -0.013 0.000 0.259 433 E C 0.209 176.844 176.600 0.058 0.000 1.122 433 E CA 0.408 56.848 56.400 0.068 0.000 0.922 433 E CB 1.418 31.152 29.700 0.057 0.000 1.109 433 E HN 0.643 nan 8.360 nan 0.000 0.442 434 G N -0.221 108.611 108.800 0.054 0.000 2.260 434 G HA2 0.213 4.165 3.960 -0.013 0.000 0.250 434 G HA3 0.213 4.165 3.960 -0.013 0.000 0.250 434 G C 0.561 175.491 174.900 0.050 0.000 1.340 434 G CA 0.290 45.418 45.100 0.047 0.000 1.056 434 G HN 0.683 nan 8.290 nan 0.000 0.471 435 A N -0.822 122.025 122.820 0.046 0.000 1.879 435 A HA 0.213 4.525 4.320 -0.013 0.000 0.222 435 A C 1.883 179.505 177.584 0.064 0.000 1.368 435 A CA 4.821 56.887 52.037 0.048 0.000 0.707 435 A CB -1.340 17.688 19.000 0.046 0.000 0.846 435 A HN 2.465 nan 8.150 nan 0.000 0.468 436 V N -3.075 116.888 119.914 0.083 0.000 2.769 436 V HA 0.596 4.708 4.120 -0.013 0.000 0.312 436 V C -0.548 175.615 176.094 0.114 0.000 1.061 436 V CA -1.350 61.021 62.300 0.119 0.000 0.931 436 V CB 1.752 33.679 31.823 0.173 0.000 1.010 436 V HN 0.423 nan 8.190 nan 0.000 0.433 437 K N 3.933 124.410 120.400 0.130 0.000 2.326 437 K HA 0.528 4.841 4.320 -0.013 0.000 0.275 437 K C -0.443 176.224 176.600 0.112 0.000 1.018 437 K CA -0.287 56.072 56.287 0.120 0.000 0.962 437 K CB 1.060 33.645 32.500 0.142 0.000 0.953 437 K HN 0.726 nan 8.250 nan 0.000 0.475 438 R N 1.191 121.745 120.500 0.090 0.000 2.888 438 R HA 0.514 4.846 4.340 -0.013 0.000 0.264 438 R C -0.658 175.676 176.300 0.057 0.000 1.045 438 R CA -1.033 55.108 56.100 0.069 0.000 0.962 438 R CB 1.312 31.637 30.300 0.041 0.000 1.210 438 R HN 0.378 nan 8.270 nan 0.000 0.479 439 I N 1.687 122.285 120.570 0.046 0.000 2.378 439 I HA 0.182 4.344 4.170 -0.013 0.000 0.291 439 I C -0.378 175.720 176.117 -0.031 0.000 0.992 439 I CA -0.747 60.566 61.300 0.022 0.000 1.154 439 I CB 1.492 39.503 38.000 0.018 0.000 1.315 439 I HN 0.498 nan 8.210 nan 0.000 0.448 440 N N 7.049 125.700 118.700 -0.082 0.000 2.482 440 N HA 0.089 4.821 4.740 -0.013 0.000 0.242 440 N C 0.924 176.334 175.510 -0.167 0.000 1.100 440 N CA -0.367 52.555 53.050 -0.213 0.000 0.946 440 N CB 0.832 39.035 38.487 -0.472 0.000 1.227 440 N HN 0.382 nan 8.380 nan 0.000 0.508 441 M N 1.917 121.428 119.600 -0.148 0.000 2.202 441 M HA -0.129 4.343 4.480 -0.013 0.000 0.262 441 M C 1.973 178.137 176.300 -0.228 0.000 1.063 441 M CA 0.903 56.126 55.300 -0.128 0.000 1.097 441 M CB -1.611 30.946 32.600 -0.071 0.000 1.382 441 M HN 0.561 nan 8.290 nan 0.000 0.413 442 A N -0.647 122.038 122.820 -0.225 0.000 1.902 442 A HA -0.177 4.135 4.320 -0.013 0.000 0.217 442 A C 2.012 179.408 177.584 -0.313 0.000 1.181 442 A CA 1.526 53.404 52.037 -0.264 0.000 0.623 442 A CB -1.148 17.881 19.000 0.048 0.000 0.818 442 A HN 0.618 nan 8.150 nan 0.000 0.443 443 H N -1.095 117.786 119.070 -0.315 0.000 2.387 443 H HA -0.028 4.520 4.556 -0.013 0.000 0.299 443 H C 2.108 177.231 175.328 -0.342 0.000 1.090 443 H CA 0.891 56.711 56.048 -0.379 0.000 1.332 443 H CB -0.039 29.708 29.762 -0.025 0.000 1.386 443 H HN 0.368 nan 8.280 nan 0.000 0.516 444 L N 0.303 121.455 121.223 -0.118 0.000 2.017 444 L HA -0.231 4.101 4.340 -0.013 0.000 0.208 444 L C 2.314 179.057 176.870 -0.210 0.000 1.073 444 L CA 1.323 56.090 54.840 -0.122 0.000 0.745 444 L CB -0.411 41.596 42.059 -0.086 0.000 0.894 444 L HN 0.445 nan 8.230 nan 0.000 0.432 445 C N -0.002 119.074 119.300 -0.373 0.000 2.429 445 C HA -0.179 4.273 4.460 -0.013 0.000 0.277 445 C C 2.677 177.442 174.990 -0.374 0.000 1.262 445 C CA 0.589 59.318 59.018 -0.482 0.000 1.733 445 C CB -0.749 26.334 27.740 -1.095 0.000 2.010 445 C HN 0.502 nan 8.230 nan 0.000 0.483 446 I N 1.347 121.652 120.570 -0.442 0.000 2.179 446 I HA -0.219 3.943 4.170 -0.013 0.000 0.242 446 I C 2.745 178.706 176.117 -0.262 0.000 1.088 446 I CA 1.711 62.778 61.300 -0.389 0.000 1.357 446 I CB -0.539 37.077 38.000 -0.639 0.000 1.051 446 I HN 0.276 nan 8.210 nan 0.000 0.409 447 A N 0.435 123.073 122.820 -0.303 0.000 1.933 447 A HA -0.097 4.215 4.320 -0.013 0.000 0.218 447 A C 2.185 179.788 177.584 0.031 0.000 1.175 447 A CA 1.864 53.755 52.037 -0.243 0.000 0.628 447 A CB -1.095 17.596 19.000 -0.516 0.000 0.814 447 A HN 0.488 nan 8.150 nan 0.000 0.444 448 G N -1.096 107.674 108.800 -0.050 0.000 3.337 448 G HA2 0.426 4.378 3.960 -0.013 0.000 0.246 448 G HA3 0.426 4.378 3.960 -0.013 0.000 0.246 448 G C 0.068 174.797 174.900 -0.285 0.000 1.131 448 G CA 0.497 45.439 45.100 -0.264 0.000 0.773 448 G HN 0.357 nan 8.290 nan 0.000 0.544 449 S N -0.346 115.248 115.700 -0.176 0.000 2.566 449 S HA 0.344 4.806 4.470 -0.013 0.000 0.298 449 S C 0.572 175.129 174.600 -0.072 0.000 1.083 449 S CA -0.728 57.404 58.200 -0.113 0.000 0.978 449 S CB 1.280 64.418 63.200 -0.102 0.000 1.073 449 S HN 0.488 nan 8.310 nan 0.000 0.491 450 H N -0.455 118.575 119.070 -0.066 0.000 2.539 450 H HA 0.577 5.125 4.556 -0.013 0.000 0.269 450 H C -0.018 175.298 175.328 -0.020 0.000 0.980 450 H CA 0.115 56.151 56.048 -0.019 0.000 1.152 450 H CB 0.073 29.837 29.762 0.002 0.000 1.407 450 H HN 0.553 nan 8.280 nan 0.000 0.564 451 A N 0.728 123.267 122.820 -0.467 0.000 2.566 451 A HA 0.544 4.856 4.320 -0.013 0.000 0.297 451 A C -1.578 175.794 177.584 -0.353 0.000 1.059 451 A CA -0.546 51.246 52.037 -0.408 0.000 0.691 451 A CB 1.957 20.664 19.000 -0.489 0.000 1.282 451 A HN 0.090 nan 8.150 nan 0.000 0.401 452 V N 3.905 123.572 119.914 -0.411 0.000 2.638 452 V HA 0.605 4.717 4.120 -0.013 0.000 0.306 452 V C -0.745 175.143 176.094 -0.343 0.000 1.052 452 V CA -0.720 61.320 62.300 -0.434 0.000 0.885 452 V CB 1.921 33.321 31.823 -0.705 0.000 0.999 452 V HN 1.042 nan 8.190 nan 0.000 0.424 453 N N 2.847 121.363 118.700 -0.307 0.000 2.284 453 N HA 0.605 5.337 4.740 -0.013 0.000 0.289 453 N C -0.317 175.082 175.510 -0.186 0.000 1.179 453 N CA -0.374 52.546 53.050 -0.217 0.000 0.774 453 N CB 2.858 41.199 38.487 -0.244 0.000 1.548 453 N HN 0.659 nan 8.380 nan 0.000 0.473 454 G N -0.793 107.935 108.800 -0.121 0.000 2.535 454 G HA2 0.424 4.377 3.960 -0.013 0.000 0.303 454 G HA3 0.424 4.377 3.960 -0.013 0.000 0.303 454 G C 0.734 175.693 174.900 0.097 0.000 1.237 454 G CA -0.481 44.598 45.100 -0.034 0.000 0.986 454 G HN 0.650 nan 8.290 nan 0.000 0.494 455 V N -3.636 116.458 119.914 0.301 0.000 3.319 455 V HA 0.698 4.810 4.120 -0.013 0.000 0.317 455 V C 0.522 176.692 176.094 0.127 0.000 1.411 455 V CA 0.305 62.681 62.300 0.127 0.000 1.112 455 V CB -0.824 31.013 31.823 0.023 0.000 1.031 455 V HN 1.355 nan 8.190 nan 0.000 0.448 456 A N -0.175 122.733 122.820 0.147 0.000 2.599 456 A HA 0.632 4.944 4.320 -0.013 0.000 0.294 456 A C 0.647 178.278 177.584 0.079 0.000 1.055 456 A CA -0.139 51.963 52.037 0.107 0.000 0.683 456 A CB 1.165 20.219 19.000 0.090 0.000 1.278 456 A HN 0.023 nan 8.150 nan 0.000 0.412 457 R N 0.763 121.290 120.500 0.044 0.000 2.094 457 R HA -0.165 4.167 4.340 -0.013 0.000 0.239 457 R C 1.790 178.085 176.300 -0.008 0.000 1.137 457 R CA 2.299 58.402 56.100 0.005 0.000 0.943 457 R CB -0.241 30.058 30.300 -0.002 0.000 0.850 457 R HN 0.835 nan 8.270 nan 0.000 0.433 458 I N 0.177 120.751 120.570 0.007 0.000 2.226 458 I HA -0.298 3.864 4.170 -0.013 0.000 0.245 458 I C 2.357 178.476 176.117 0.004 0.000 1.100 458 I CA 1.985 63.281 61.300 -0.007 0.000 1.374 458 I CB -0.292 37.705 38.000 -0.005 0.000 1.057 458 I HN 0.339 nan 8.210 nan 0.000 0.413 459 H N 0.521 119.560 119.070 -0.052 0.000 2.353 459 H HA -0.145 4.403 4.556 -0.013 0.000 0.300 459 H C 2.245 177.537 175.328 -0.060 0.000 1.090 459 H CA 2.254 58.266 56.048 -0.059 0.000 1.327 459 H CB -0.355 29.377 29.762 -0.050 0.000 1.383 459 H HN 0.285 nan 8.280 nan 0.000 0.508 460 S N 0.181 115.750 115.700 -0.218 0.000 2.382 460 S HA -0.130 4.332 4.470 -0.013 0.000 0.228 460 S C 1.926 176.396 174.600 -0.217 0.000 1.027 460 S CA 1.248 59.296 58.200 -0.253 0.000 0.991 460 S CB -0.086 63.042 63.200 -0.121 0.000 0.823 460 S HN 0.489 nan 8.310 nan 0.000 0.469 461 E N 1.030 121.130 120.200 -0.167 0.000 2.072 461 E HA -0.005 4.338 4.350 -0.013 0.000 0.191 461 E C 2.033 178.515 176.600 -0.195 0.000 0.985 461 E CA 0.618 56.911 56.400 -0.178 0.000 0.801 461 E CB -0.420 29.206 29.700 -0.124 0.000 0.750 461 E HN 0.480 nan 8.360 nan 0.000 0.452 462 I N 1.063 121.533 120.570 -0.166 0.000 2.248 462 I HA -0.294 3.868 4.170 -0.013 0.000 0.248 462 I C 2.361 178.354 176.117 -0.207 0.000 1.107 462 I CA 0.830 62.037 61.300 -0.155 0.000 1.373 462 I CB -0.145 37.794 38.000 -0.102 0.000 1.055 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.029 121.095 121.223 -0.262 0.000 2.046 463 L HA -0.244 4.088 4.340 -0.013 0.000 0.208 463 L C 2.500 179.261 176.870 -0.182 0.000 1.077 463 L CA 1.567 56.267 54.840 -0.233 0.000 0.747 463 L CB -0.590 41.408 42.059 -0.100 0.000 0.896 463 L HN 0.197 nan 8.230 nan 0.000 0.432 464 K N -0.037 120.183 120.400 -0.299 0.000 2.103 464 K HA -0.132 4.180 4.320 -0.013 0.000 0.204 464 K C 2.106 178.508 176.600 -0.329 0.000 1.052 464 K CA 1.056 57.027 56.287 -0.526 0.000 0.945 464 K CB 0.056 32.016 32.500 -0.899 0.000 0.722 464 K HN 0.236 nan 8.250 nan 0.000 0.443 465 K N -0.328 119.931 120.400 -0.235 0.000 2.243 465 K HA 0.011 4.324 4.320 -0.013 0.000 0.201 465 K C 1.329 177.871 176.600 -0.098 0.000 1.051 465 K CA 0.981 57.184 56.287 -0.141 0.000 0.970 465 K CB 0.449 32.876 32.500 -0.121 0.000 0.755 465 K HN 0.082 nan 8.250 nan 0.000 0.465 466 T N 0.393 114.876 114.554 -0.117 0.000 3.066 466 T HA 0.062 4.404 4.350 -0.013 0.000 0.176 466 T C 1.517 176.158 174.700 -0.098 0.000 0.826 466 T CA -0.372 61.670 62.100 -0.097 0.000 1.280 466 T CB -0.462 68.341 68.868 -0.109 0.000 2.214 466 T HN -0.079 nan 8.240 nan 0.000 0.399 467 I N 0.975 121.421 120.570 -0.207 0.000 2.143 467 I HA -0.156 4.006 4.170 -0.013 0.000 0.245 467 I C 0.769 176.782 176.117 -0.173 0.000 1.068 467 I CA 1.857 62.958 61.300 -0.332 0.000 1.326 467 I CB -0.162 37.416 38.000 -0.703 0.000 1.028 467 I HN 0.365 nan 8.210 nan 0.000 0.412 468 F N -0.452 119.567 119.950 0.116 0.000 2.772 468 F HA 0.219 4.738 4.527 -0.013 0.000 0.302 468 F C 1.767 177.660 175.800 0.155 0.000 1.136 468 F CA -0.498 57.651 58.000 0.248 0.000 1.322 468 F CB -0.142 39.023 39.000 0.276 0.000 0.967 468 F HN -0.120 nan 8.300 nan 0.000 0.513 469 K N 1.041 121.555 120.400 0.189 0.000 2.020 469 K HA -0.222 4.090 4.320 -0.013 0.000 0.212 469 K C 1.325 177.978 176.600 0.088 0.000 1.050 469 K CA 2.220 58.558 56.287 0.085 0.000 0.929 469 K CB -0.059 32.456 32.500 0.025 0.000 0.714 469 K HN 0.225 nan 8.250 nan 0.000 0.443 470 D N -0.197 120.224 120.400 0.034 0.000 2.149 470 D HA -0.173 4.459 4.640 -0.013 0.000 0.198 470 D C 1.829 178.027 176.300 -0.169 0.000 0.990 470 D CA 1.245 55.138 54.000 -0.178 0.000 0.839 470 D CB -0.306 40.283 40.800 -0.351 0.000 0.948 470 D HN 0.242 nan 8.370 nan 0.000 0.460 471 F N -0.268 119.760 119.950 0.129 0.000 2.259 471 F HA -0.121 4.398 4.527 -0.013 0.000 0.298 471 F C 2.297 178.236 175.800 0.233 0.000 1.088 471 F CA 0.395 58.551 58.000 0.261 0.000 1.358 471 F CB -0.565 38.669 39.000 0.389 0.000 1.040 471 F HN -0.041 nan 8.300 nan 0.000 0.505 472 Y N 1.345 121.600 120.300 -0.075 0.000 2.242 472 Y HA -0.161 4.381 4.550 -0.013 0.000 0.291 472 Y C 2.078 177.944 175.900 -0.057 0.000 1.137 472 Y CA 1.520 59.372 58.100 -0.413 0.000 1.181 472 Y CB -0.588 37.471 38.460 -0.668 0.000 0.989 472 Y HN 0.127 nan 8.280 nan 0.000 0.527 473 E N -0.079 120.047 120.200 -0.123 0.000 2.106 473 E HA -0.187 4.155 4.350 -0.013 0.000 0.192 473 E C 2.271 178.913 176.600 0.071 0.000 0.984 473 E CA 0.985 57.331 56.400 -0.090 0.000 0.806 473 E CB -0.226 29.480 29.700 0.010 0.000 0.750 473 E HN 0.433 nan 8.360 nan 0.000 0.458 474 L N 0.890 122.208 121.223 0.158 0.000 2.027 474 L HA -0.108 4.225 4.340 -0.013 0.000 0.206 474 L C 0.177 177.128 176.870 0.136 0.000 1.074 474 L CA 1.544 56.517 54.840 0.221 0.000 0.745 474 L CB 0.079 42.281 42.059 0.237 0.000 0.898 474 L HN 0.088 nan 8.230 nan 0.000 0.433 475 E N -0.053 120.219 120.200 0.120 0.000 2.914 475 E HA 0.170 4.513 4.350 -0.013 0.000 0.246 475 E C -1.988 174.542 176.600 -0.118 0.000 1.146 475 E CA -1.420 54.947 56.400 -0.056 0.000 0.803 475 E CB 0.983 30.624 29.700 -0.098 0.000 1.409 475 E HN 0.196 nan 8.360 nan 0.000 0.392 476 P HA -0.253 nan 4.420 nan 0.000 0.219 476 P C 1.196 178.583 177.300 0.146 0.000 1.146 476 P CA 1.404 64.396 63.100 -0.180 0.000 0.808 476 P CB -0.080 31.397 31.700 -0.371 0.000 0.779 477 H N 0.165 119.341 119.070 0.175 0.000 2.456 477 H HA 0.056 4.604 4.556 -0.013 0.000 0.296 477 H C 1.575 176.997 175.328 0.156 0.000 1.079 477 H CA 0.816 56.957 56.048 0.155 0.000 1.322 477 H CB -0.636 29.186 29.762 0.101 0.000 1.388 477 H HN 0.142 nan 8.280 nan 0.000 0.538 478 K N 0.483 120.810 120.400 -0.122 0.000 2.097 478 K HA 0.004 4.317 4.320 -0.013 0.000 0.205 478 K C 0.027 176.499 176.600 -0.213 0.000 1.050 478 K CA 0.459 56.649 56.287 -0.161 0.000 0.938 478 K CB -0.012 32.258 32.500 -0.383 0.000 0.718 478 K HN 0.104 nan 8.250 nan 0.000 0.442 479 F N 1.985 121.960 119.950 0.043 0.000 2.467 479 F HA 0.090 4.609 4.527 -0.013 0.000 0.362 479 F C 0.622 176.420 175.800 -0.004 0.000 1.090 479 F CA 0.008 58.028 58.000 0.034 0.000 1.202 479 F CB 0.647 39.715 39.000 0.114 0.000 1.113 479 F HN -0.003 nan 8.300 nan 0.000 0.541 480 Q N 1.895 121.717 119.800 0.038 0.000 2.882 480 Q HA 0.432 4.765 4.340 -0.013 0.000 0.315 480 Q C -1.191 174.761 176.000 -0.079 0.000 1.004 480 Q CA -1.360 54.422 55.803 -0.035 0.000 0.777 480 Q CB 2.785 31.452 28.738 -0.119 0.000 1.506 480 Q HN 0.646 nan 8.270 nan 0.000 0.489 481 N N 0.119 118.750 118.700 -0.115 0.000 2.284 481 N HA 0.300 5.032 4.740 -0.013 0.000 0.289 481 N C -1.695 173.712 175.510 -0.172 0.000 1.179 481 N CA -0.439 52.543 53.050 -0.114 0.000 0.774 481 N CB 1.612 40.057 38.487 -0.070 0.000 1.548 481 N HN 0.315 nan 8.380 nan 0.000 0.473 482 K N 2.359 122.668 120.400 -0.152 0.000 2.740 482 K HA 0.188 4.500 4.320 -0.013 0.000 0.246 482 K C -1.101 175.514 176.600 0.024 0.000 1.021 482 K CA -0.464 55.715 56.287 -0.179 0.000 1.021 482 K CB 1.247 33.424 32.500 -0.539 0.000 1.233 482 K HN 0.577 nan 8.250 nan 0.000 0.497 483 T N 2.075 116.661 114.554 0.053 0.000 2.902 483 T HA 0.075 4.417 4.350 -0.013 0.000 0.301 483 T C 0.819 175.650 174.700 0.219 0.000 1.012 483 T CA 0.275 62.455 62.100 0.134 0.000 1.151 483 T CB 0.330 69.281 68.868 0.139 0.000 0.946 483 T HN 0.351 nan 8.240 nan 0.000 0.542 484 N N 0.547 119.392 118.700 0.242 0.000 2.260 484 N HA 0.427 5.159 4.740 -0.013 0.000 0.230 484 N C 0.533 176.226 175.510 0.305 0.000 1.323 484 N CA -0.223 53.002 53.050 0.292 0.000 0.897 484 N CB 0.383 38.981 38.487 0.184 0.000 1.146 484 N HN 0.768 nan 8.380 nan 0.000 0.460 485 G N -0.835 108.150 108.800 0.309 0.000 2.663 485 G HA2 0.617 4.569 3.960 -0.013 0.000 0.299 485 G HA3 0.617 4.569 3.960 -0.013 0.000 0.299 485 G C -1.522 173.510 174.900 0.221 0.000 1.372 485 G CA -0.744 44.527 45.100 0.284 0.000 0.781 485 G HN 0.603 nan 8.290 nan 0.000 0.491 486 I N -2.718 117.972 120.570 0.200 0.000 2.969 486 I HA 0.761 4.923 4.170 -0.013 0.000 0.307 486 I C -0.336 175.940 176.117 0.265 0.000 1.149 486 I CA -1.023 60.391 61.300 0.190 0.000 1.008 486 I CB 2.360 40.366 38.000 0.010 0.000 1.232 486 I HN 0.516 nan 8.210 nan 0.000 0.435 487 T N 3.416 118.191 114.554 0.369 0.000 2.749 487 T HA 0.394 4.736 4.350 -0.013 0.000 0.295 487 T C -1.461 173.357 174.700 0.196 0.000 0.936 487 T CA -1.746 60.487 62.100 0.222 0.000 1.060 487 T CB 0.839 69.781 68.868 0.124 0.000 0.904 487 T HN 0.610 nan 8.240 nan 0.000 0.500 488 P HA -0.035 nan 4.420 nan 0.000 0.222 488 P C 1.239 178.517 177.300 -0.038 0.000 1.147 488 P CA 0.616 63.755 63.100 0.066 0.000 0.790 488 P CB 0.339 32.057 31.700 0.029 0.000 0.780 489 R N 0.292 120.716 120.500 -0.126 0.000 2.082 489 R HA -0.055 4.277 4.340 -0.013 0.000 0.228 489 R C 2.741 178.924 176.300 -0.195 0.000 1.140 489 R CA 1.772 57.752 56.100 -0.200 0.000 0.920 489 R CB -1.235 28.944 30.300 -0.202 0.000 0.828 489 R HN 0.067 nan 8.270 nan 0.000 0.430 490 R N -0.663 119.666 120.500 -0.285 0.000 2.066 490 R HA -0.123 4.209 4.340 -0.013 0.000 0.232 490 R C 1.273 177.239 176.300 -0.556 0.000 1.131 490 R CA 1.700 57.485 56.100 -0.524 0.000 0.955 490 R CB -0.280 29.516 30.300 -0.839 0.000 0.851 490 R HN 0.313 nan 8.270 nan 0.000 0.432 491 W N 0.204 121.460 121.300 -0.074 0.000 3.310 491 W HA 0.110 4.762 4.660 -0.014 0.000 0.259 491 W C 0.942 177.429 176.519 -0.054 0.000 1.324 491 W CA -0.628 56.672 57.345 -0.074 0.000 1.636 491 W CB 0.293 29.715 29.460 -0.064 0.000 1.104 491 W HN 0.277 nan 8.180 nan 0.000 0.722 492 L N -2.595 118.679 121.223 0.085 0.000 2.455 492 L HA 0.141 4.473 4.340 -0.013 0.000 0.138 492 L C 1.749 178.632 176.870 0.022 0.000 1.398 492 L CA 0.622 55.510 54.840 0.079 0.000 0.998 492 L CB -0.862 41.267 42.059 0.118 0.000 1.985 492 L HN -0.280 nan 8.230 nan 0.000 0.493 493 V N 1.371 121.277 119.914 -0.014 0.000 2.324 493 V HA -0.285 3.827 4.120 -0.013 0.000 0.250 493 V C 2.428 178.492 176.094 -0.050 0.000 1.060 493 V CA 2.570 64.850 62.300 -0.034 0.000 1.042 493 V CB -0.715 31.055 31.823 -0.089 0.000 0.650 493 V HN 0.518 nan 8.190 nan 0.000 0.450 494 L N 0.379 121.544 121.223 -0.097 0.000 2.023 494 L HA -0.158 4.174 4.340 -0.013 0.000 0.205 494 L C 2.514 179.323 176.870 -0.102 0.000 1.073 494 L CA 2.230 56.999 54.840 -0.119 0.000 0.745 494 L CB -0.256 41.682 42.059 -0.201 0.000 0.900 494 L HN 0.637 nan 8.230 nan 0.000 0.435 495 C N -1.659 117.575 119.300 -0.111 0.000 2.514 495 C HA 0.177 4.630 4.460 -0.013 0.000 0.271 495 C C 1.151 176.126 174.990 -0.026 0.000 1.399 495 C CA -0.309 58.664 59.018 -0.075 0.000 1.765 495 C CB -1.129 26.570 27.740 -0.069 0.000 1.893 495 C HN 0.573 nan 8.230 nan 0.000 0.531 496 N N 1.090 119.785 118.700 -0.009 0.000 2.733 496 N HA 0.282 5.014 4.740 -0.013 0.000 0.271 496 N C -1.848 173.672 175.510 0.018 0.000 1.720 496 N CA -1.519 51.536 53.050 0.010 0.000 0.803 496 N CB 0.858 39.359 38.487 0.023 0.000 1.208 496 N HN 0.223 nan 8.380 nan 0.000 0.498 497 P HA -0.026 nan 4.420 nan 0.000 0.218 497 P C 1.392 178.707 177.300 0.026 0.000 1.149 497 P CA 0.835 63.945 63.100 0.018 0.000 0.817 497 P CB 0.281 31.985 31.700 0.007 0.000 0.785 498 G N 0.749 109.559 108.800 0.017 0.000 2.446 498 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.217 498 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.217 498 G C 1.516 176.423 174.900 0.013 0.000 1.168 498 G CA 0.737 45.844 45.100 0.012 0.000 0.771 498 G HN 0.258 nan 8.290 nan 0.000 0.551 499 L N 1.246 122.478 121.223 0.015 0.000 2.072 499 L HA 0.272 4.604 4.340 -0.013 0.000 0.205 499 L C 3.043 179.943 176.870 0.049 0.000 1.079 499 L CA 2.028 56.874 54.840 0.011 0.000 0.752 499 L CB -0.727 41.340 42.059 0.013 0.000 0.906 499 L HN 0.224 nan 8.230 nan 0.000 0.436 500 A N -0.693 122.178 122.820 0.085 0.000 1.940 500 A HA -0.250 4.062 4.320 -0.013 0.000 0.219 500 A C 2.220 179.899 177.584 0.159 0.000 1.176 500 A CA 1.754 53.893 52.037 0.170 0.000 0.631 500 A CB -0.687 18.407 19.000 0.156 0.000 0.814 500 A HN 0.560 nan 8.150 nan 0.000 0.446 501 E N 0.910 121.166 120.200 0.092 0.000 2.017 501 E HA -0.192 4.150 4.350 -0.013 0.000 0.193 501 E C 1.878 178.523 176.600 0.074 0.000 0.997 501 E CA 1.804 58.249 56.400 0.076 0.000 0.804 501 E CB -0.562 29.164 29.700 0.043 0.000 0.757 501 E HN 0.728 nan 8.360 nan 0.000 0.448 502 I N -1.519 119.087 120.570 0.060 0.000 2.361 502 I HA -0.187 3.975 4.170 -0.013 0.000 0.251 502 I C 2.234 178.436 176.117 0.142 0.000 1.133 502 I CA 1.308 62.659 61.300 0.085 0.000 1.413 502 I CB -0.424 37.600 38.000 0.040 0.000 1.073 502 I HN 0.054 nan 8.210 nan 0.000 0.424 503 I N 1.987 122.619 120.570 0.103 0.000 2.202 503 I HA -0.198 3.965 4.170 -0.013 0.000 0.242 503 I C 3.028 179.115 176.117 -0.050 0.000 1.091 503 I CA 1.366 62.665 61.300 -0.002 0.000 1.368 503 I CB -0.444 37.439 38.000 -0.196 0.000 1.058 503 I HN 0.300 nan 8.210 nan 0.000 0.410 504 A N 0.214 123.090 122.820 0.095 0.000 1.972 504 A HA -0.231 4.081 4.320 -0.013 0.000 0.219 504 A C 2.158 179.776 177.584 0.056 0.000 1.169 504 A CA 1.604 53.739 52.037 0.162 0.000 0.635 504 A CB -0.579 18.547 19.000 0.210 0.000 0.810 504 A HN 0.436 nan 8.150 nan 0.000 0.446 505 E N -0.718 119.499 120.200 0.027 0.000 2.153 505 E HA -0.185 4.157 4.350 -0.013 0.000 0.194 505 E C 2.238 178.804 176.600 -0.056 0.000 0.988 505 E CA 1.126 57.526 56.400 0.001 0.000 0.811 505 E CB 0.005 29.713 29.700 0.015 0.000 0.746 505 E HN 0.530 nan 8.360 nan 0.000 0.466 506 R N -0.031 120.378 120.500 -0.152 0.000 2.103 506 R HA 0.092 4.424 4.340 -0.013 0.000 0.212 506 R C 2.260 178.451 176.300 -0.182 0.000 1.107 506 R CA 0.798 56.717 56.100 -0.302 0.000 1.025 506 R CB -0.268 29.525 30.300 -0.846 0.000 0.929 506 R HN 0.268 nan 8.270 nan 0.000 0.456 507 I N -2.250 118.231 120.570 -0.150 0.000 4.025 507 I HA 0.450 4.612 4.170 -0.013 0.000 0.336 507 I C 0.461 176.611 176.117 0.055 0.000 1.390 507 I CA 0.053 61.327 61.300 -0.044 0.000 1.099 507 I CB 0.858 38.812 38.000 -0.077 0.000 1.049 507 I HN 0.225 nan 8.210 nan 0.000 0.394 508 G N 1.874 110.720 108.800 0.078 0.000 2.660 508 G HA2 -0.216 3.736 3.960 -0.013 0.000 0.215 508 G HA3 -0.216 3.736 3.960 -0.013 0.000 0.215 508 G C 0.008 175.047 174.900 0.231 0.000 1.345 508 G CA 0.227 45.400 45.100 0.122 0.000 0.877 508 G HN 0.428 nan 8.290 nan 0.000 0.549 509 E N -0.516 119.766 120.200 0.137 0.000 2.447 509 E HA 0.087 4.429 4.350 -0.013 0.000 0.204 509 E C 1.866 178.416 176.600 -0.083 0.000 0.977 509 E CA 0.015 56.427 56.400 0.020 0.000 0.950 509 E CB 0.238 29.942 29.700 0.006 0.000 0.975 509 E HN 0.464 nan 8.360 nan 0.000 0.496 510 E N 0.703 120.927 120.200 0.039 0.000 2.393 510 E HA -0.194 4.149 4.350 -0.013 0.000 0.201 510 E C 1.557 178.168 176.600 0.019 0.000 1.025 510 E CA 0.879 57.297 56.400 0.030 0.000 0.856 510 E CB -0.010 29.728 29.700 0.062 0.000 0.771 510 E HN 0.519 nan 8.360 nan 0.000 0.526 511 Y N -1.331 118.975 120.300 0.010 0.000 2.509 511 Y HA -0.031 4.512 4.550 -0.011 0.000 0.293 511 Y C 1.864 177.745 175.900 -0.033 0.000 1.133 511 Y CA 0.290 58.387 58.100 -0.004 0.000 1.283 511 Y CB -0.337 38.123 38.460 0.001 0.000 1.001 511 Y HN -0.097 nan 8.280 nan 0.000 0.555 512 I N 1.243 121.362 120.570 -0.752 0.000 2.423 512 I HA -0.210 3.953 4.170 -0.013 0.000 0.254 512 I C 1.504 177.397 176.117 -0.374 0.000 1.151 512 I CA 1.739 62.652 61.300 -0.646 0.000 1.421 512 I CB -1.310 36.212 38.000 -0.796 0.000 1.079 512 I HN 0.518 nan 8.210 nan 0.000 0.431 513 S N -1.587 113.994 115.700 -0.199 0.000 2.650 513 S HA 0.205 4.667 4.470 -0.013 0.000 0.240 513 S C 0.265 174.858 174.600 -0.012 0.000 1.007 513 S CA -0.424 57.729 58.200 -0.077 0.000 0.984 513 S CB 0.459 63.680 63.200 0.034 0.000 0.910 513 S HN 0.285 nan 8.310 nan 0.000 0.509 514 D N 0.951 121.353 120.400 0.003 0.000 2.978 514 D HA 0.234 4.866 4.640 -0.013 0.000 0.268 514 D C 0.673 177.024 176.300 0.085 0.000 1.252 514 D CA -0.324 53.701 54.000 0.041 0.000 0.771 514 D CB -0.090 40.738 40.800 0.047 0.000 1.361 514 D HN 0.112 nan 8.370 nan 0.000 0.558 515 L N 0.368 121.642 121.223 0.085 0.000 2.263 515 L HA -0.143 4.189 4.340 -0.013 0.000 0.216 515 L C 1.121 178.044 176.870 0.089 0.000 1.111 515 L CA 1.182 56.099 54.840 0.129 0.000 0.773 515 L CB 0.073 42.197 42.059 0.107 0.000 0.906 515 L HN 0.283 nan 8.230 nan 0.000 0.439 516 D N -0.310 120.120 120.400 0.050 0.000 2.182 516 D HA -0.215 4.417 4.640 -0.013 0.000 0.201 516 D C 2.034 178.353 176.300 0.033 0.000 0.986 516 D CA 0.921 54.934 54.000 0.022 0.000 0.847 516 D CB -0.014 40.788 40.800 0.004 0.000 0.942 516 D HN 0.478 nan 8.370 nan 0.000 0.467 517 Q N -0.188 119.649 119.800 0.061 0.000 2.443 517 Q HA -0.131 4.202 4.340 -0.013 0.000 0.213 517 Q C 1.773 177.785 176.000 0.020 0.000 0.982 517 Q CA 0.174 56.011 55.803 0.058 0.000 0.894 517 Q CB 0.037 28.840 28.738 0.108 0.000 0.947 517 Q HN 0.192 nan 8.270 nan 0.000 0.480 518 L N 0.661 121.889 121.223 0.007 0.000 2.265 518 L HA -0.168 4.164 4.340 -0.013 0.000 0.215 518 L C 2.062 178.922 176.870 -0.017 0.000 1.117 518 L CA 1.499 56.308 54.840 -0.052 0.000 0.782 518 L CB -0.501 41.542 42.059 -0.027 0.000 0.914 518 L HN 0.145 nan 8.230 nan 0.000 0.441 519 R N -0.392 120.110 120.500 0.003 0.000 2.139 519 R HA -0.194 4.139 4.340 -0.013 0.000 0.243 519 R C 1.958 178.265 176.300 0.012 0.000 1.145 519 R CA 1.139 57.244 56.100 0.009 0.000 0.976 519 R CB -0.257 30.044 30.300 0.003 0.000 0.866 519 R HN 0.420 nan 8.270 nan 0.000 0.449 520 K N 0.602 121.009 120.400 0.012 0.000 2.360 520 K HA -0.110 4.202 4.320 -0.013 0.000 0.201 520 K C 1.869 178.519 176.600 0.084 0.000 1.046 520 K CA 0.753 57.060 56.287 0.033 0.000 0.940 520 K CB -0.080 32.444 32.500 0.040 0.000 0.748 520 K HN 0.257 nan 8.250 nan 0.000 0.465 521 L N 0.516 121.767 121.223 0.047 0.000 2.376 521 L HA -0.123 4.209 4.340 -0.013 0.000 0.219 521 L C 1.907 178.847 176.870 0.116 0.000 1.133 521 L CA 0.052 54.931 54.840 0.066 0.000 0.816 521 L CB -0.184 41.878 42.059 0.005 0.000 0.933 521 L HN 0.141 nan 8.230 nan 0.000 0.449 522 L N 0.175 121.434 121.223 0.060 0.000 2.079 522 L HA -0.214 4.119 4.340 -0.013 0.000 0.210 522 L C 2.744 179.606 176.870 -0.013 0.000 1.081 522 L CA 2.108 56.967 54.840 0.032 0.000 0.752 522 L CB -0.950 41.113 42.059 0.007 0.000 0.896 522 L HN 0.354 nan 8.230 nan 0.000 0.433 523 S N -2.564 113.083 115.700 -0.089 0.000 2.603 523 S HA -0.107 4.355 4.470 -0.013 0.000 0.229 523 S C 1.209 175.534 174.600 -0.458 0.000 0.972 523 S CA 0.367 58.405 58.200 -0.270 0.000 0.935 523 S CB -0.582 62.400 63.200 -0.364 0.000 0.769 523 S HN 0.493 nan 8.310 nan 0.000 0.536 524 Y N -0.542 119.681 120.300 -0.129 0.000 2.557 524 Y HA 0.430 4.978 4.550 -0.004 0.000 0.247 524 Y C 1.877 177.787 175.900 0.016 0.000 1.164 524 Y CA -0.528 57.482 58.100 -0.149 0.000 1.218 524 Y CB 0.240 38.396 38.460 -0.506 0.000 1.210 524 Y HN 0.257 nan 8.280 nan 0.000 0.529 525 V N 0.425 120.414 119.914 0.125 0.000 2.720 525 V HA -0.216 3.896 4.120 -0.013 0.000 0.256 525 V C 0.920 177.079 176.094 0.108 0.000 1.082 525 V CA 2.244 64.626 62.300 0.137 0.000 1.101 525 V CB -0.019 31.849 31.823 0.075 0.000 0.693 525 V HN 0.367 nan 8.190 nan 0.000 0.479 526 D N -0.939 119.504 120.400 0.071 0.000 2.433 526 D HA 0.117 4.749 4.640 -0.013 0.000 0.211 526 D C 0.349 176.693 176.300 0.073 0.000 1.114 526 D CA -0.076 53.957 54.000 0.055 0.000 0.837 526 D CB 0.141 40.950 40.800 0.015 0.000 0.984 526 D HN 0.428 nan 8.370 nan 0.000 0.505 527 D N 1.614 122.087 120.400 0.123 0.000 2.358 527 D HA -0.049 4.583 4.640 -0.013 0.000 0.258 527 D C 1.242 177.644 176.300 0.170 0.000 1.223 527 D CA 0.108 54.203 54.000 0.158 0.000 0.886 527 D CB 1.529 42.490 40.800 0.269 0.000 1.120 527 D HN -0.220 nan 8.370 nan 0.000 0.482 528 E N 3.364 123.633 120.200 0.115 0.000 2.110 528 E HA -0.129 4.214 4.350 -0.013 0.000 0.193 528 E C 1.657 178.318 176.600 0.101 0.000 0.988 528 E CA 1.319 57.774 56.400 0.091 0.000 0.804 528 E CB -0.177 29.558 29.700 0.059 0.000 0.745 528 E HN 0.597 nan 8.360 nan 0.000 0.458 529 A N -0.302 122.594 122.820 0.126 0.000 1.873 529 A HA -0.120 4.192 4.320 -0.013 0.000 0.215 529 A C 2.295 179.974 177.584 0.158 0.000 1.186 529 A CA 1.219 53.328 52.037 0.120 0.000 0.616 529 A CB -1.035 18.038 19.000 0.121 0.000 0.823 529 A HN 0.379 nan 8.150 nan 0.000 0.442 530 F N 0.480 120.452 119.950 0.037 0.000 2.069 530 F HA -0.227 4.293 4.527 -0.011 0.000 0.298 530 F C 2.115 177.927 175.800 0.021 0.000 1.113 530 F CA 1.868 59.878 58.000 0.017 0.000 1.214 530 F CB -0.163 38.862 39.000 0.042 0.000 0.978 530 F HN 0.173 nan 8.300 nan 0.000 0.474 531 I N 0.190 120.822 120.570 0.103 0.000 2.194 531 I HA -0.381 3.781 4.170 -0.013 0.000 0.246 531 I C 2.672 178.755 176.117 -0.058 0.000 1.093 531 I CA 1.643 62.943 61.300 0.001 0.000 1.355 531 I CB -0.608 37.430 38.000 0.063 0.000 1.046 531 I HN 0.155 nan 8.210 nan 0.000 0.413 532 R N 0.905 121.391 120.500 -0.023 0.000 2.081 532 R HA -0.200 4.133 4.340 -0.013 0.000 0.235 532 R C 1.711 177.967 176.300 -0.072 0.000 1.131 532 R CA 2.103 58.183 56.100 -0.032 0.000 0.960 532 R CB -0.321 29.977 30.300 -0.003 0.000 0.856 532 R HN 0.314 nan 8.270 nan 0.000 0.436 533 D N 0.183 120.517 120.400 -0.109 0.000 2.084 533 D HA -0.108 4.525 4.640 -0.013 0.000 0.196 533 D C 2.054 178.222 176.300 -0.219 0.000 0.985 533 D CA 1.264 55.176 54.000 -0.146 0.000 0.826 533 D CB -0.352 40.362 40.800 -0.143 0.000 0.978 533 D HN 0.034 nan 8.370 nan 0.000 0.456 534 V N 1.475 121.153 119.914 -0.393 0.000 2.324 534 V HA -0.291 3.821 4.120 -0.013 0.000 0.250 534 V C 2.443 178.441 176.094 -0.159 0.000 1.060 534 V CA 2.023 64.112 62.300 -0.353 0.000 1.042 534 V CB -0.780 30.774 31.823 -0.447 0.000 0.650 534 V HN 0.214 nan 8.190 nan 0.000 0.450 535 A N -0.952 121.797 122.820 -0.118 0.000 1.968 535 A HA -0.193 4.119 4.320 -0.013 0.000 0.217 535 A C 2.346 179.897 177.584 -0.055 0.000 1.169 535 A CA 1.812 53.815 52.037 -0.056 0.000 0.638 535 A CB -0.375 18.598 19.000 -0.044 0.000 0.812 535 A HN 0.530 nan 8.150 nan 0.000 0.446 536 K N 0.232 120.593 120.400 -0.066 0.000 2.031 536 K HA -0.102 4.210 4.320 -0.013 0.000 0.205 536 K C 2.027 178.603 176.600 -0.040 0.000 1.049 536 K CA 1.678 57.936 56.287 -0.048 0.000 0.939 536 K CB -0.364 32.109 32.500 -0.044 0.000 0.717 536 K HN 0.400 nan 8.250 nan 0.000 0.438 537 V N 0.151 120.035 119.914 -0.050 0.000 2.332 537 V HA -0.223 3.889 4.120 -0.013 0.000 0.248 537 V C 2.220 178.304 176.094 -0.016 0.000 1.055 537 V CA 2.181 64.462 62.300 -0.031 0.000 1.038 537 V CB -0.742 31.058 31.823 -0.039 0.000 0.651 537 V HN 0.224 nan 8.190 nan 0.000 0.450 538 K N 0.615 121.003 120.400 -0.019 0.000 2.147 538 K HA -0.214 4.098 4.320 -0.013 0.000 0.205 538 K C 2.253 178.841 176.600 -0.019 0.000 1.049 538 K CA 2.140 58.426 56.287 -0.001 0.000 0.936 538 K CB -0.619 31.894 32.500 0.022 0.000 0.722 538 K HN 0.599 nan 8.250 nan 0.000 0.446 539 Q N 0.928 120.708 119.800 -0.033 0.000 2.123 539 Q HA -0.054 4.279 4.340 -0.013 0.000 0.199 539 Q C 1.606 177.594 176.000 -0.020 0.000 0.966 539 Q CA 1.796 57.571 55.803 -0.048 0.000 0.845 539 Q CB -0.029 28.680 28.738 -0.047 0.000 0.907 539 Q HN 0.517 nan 8.270 nan 0.000 0.439 540 E N -0.492 119.707 120.200 -0.003 0.000 2.072 540 E HA -0.142 4.201 4.350 -0.013 0.000 0.191 540 E C 1.693 178.320 176.600 0.045 0.000 0.985 540 E CA 0.940 57.351 56.400 0.019 0.000 0.801 540 E CB -0.003 29.705 29.700 0.014 0.000 0.750 540 E HN 0.378 nan 8.360 nan 0.000 0.452 541 N N 0.951 119.676 118.700 0.043 0.000 2.120 541 N HA -0.146 4.587 4.740 -0.013 0.000 0.188 541 N C 1.466 177.060 175.510 0.140 0.000 1.024 541 N CA 1.097 54.192 53.050 0.075 0.000 0.852 541 N CB -0.088 38.429 38.487 0.050 0.000 1.003 541 N HN 0.122 nan 8.380 nan 0.000 0.424 542 K N 0.442 120.899 120.400 0.096 0.000 2.097 542 K HA 0.006 4.318 4.320 -0.013 0.000 0.205 542 K C 2.064 178.794 176.600 0.218 0.000 1.050 542 K CA 0.627 57.001 56.287 0.145 0.000 0.938 542 K CB -0.134 32.220 32.500 -0.243 0.000 0.718 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 1.072 122.364 121.223 0.115 0.000 2.056 543 L HA -0.157 4.175 4.340 -0.013 0.000 0.207 543 L C 2.589 179.551 176.870 0.153 0.000 1.078 543 L CA 1.134 56.042 54.840 0.115 0.000 0.749 543 L CB -0.250 41.849 42.059 0.066 0.000 0.901 543 L HN 0.093 nan 8.230 nan 0.000 0.433 544 K N -0.427 120.070 120.400 0.163 0.000 2.097 544 K HA -0.193 4.119 4.320 -0.013 0.000 0.206 544 K C 2.164 178.911 176.600 0.246 0.000 1.049 544 K CA 1.499 57.890 56.287 0.174 0.000 0.933 544 K CB -0.174 32.416 32.500 0.150 0.000 0.717 544 K HN 0.125 nan 8.250 nan 0.000 0.442 545 F N 1.313 121.349 119.950 0.142 0.000 2.163 545 F HA -0.056 4.464 4.527 -0.013 0.000 0.297 545 F C 2.080 178.001 175.800 0.202 0.000 1.094 545 F CA 1.112 59.203 58.000 0.151 0.000 1.290 545 F CB -0.417 38.665 39.000 0.137 0.000 1.017 545 F HN -0.003 nan 8.300 nan 0.000 0.483 546 A N 0.171 123.128 122.820 0.228 0.000 1.978 546 A HA -0.063 4.249 4.320 -0.013 0.000 0.220 546 A C 2.372 179.963 177.584 0.012 0.000 1.170 546 A CA 1.771 53.863 52.037 0.092 0.000 0.636 546 A CB -1.409 17.701 19.000 0.183 0.000 0.810 546 A HN 0.464 nan 8.150 nan 0.000 0.448 547 A N -1.263 121.599 122.820 0.070 0.000 1.854 547 A HA -0.018 4.294 4.320 -0.013 0.000 0.214 547 A C 2.107 179.716 177.584 0.042 0.000 1.192 547 A CA 1.462 53.537 52.037 0.064 0.000 0.611 547 A CB -0.971 18.082 19.000 0.089 0.000 0.832 547 A HN 0.771 nan 8.150 nan 0.000 0.442 548 Y N 0.270 120.520 120.300 -0.083 0.000 2.181 548 Y HA -0.253 4.289 4.550 -0.013 0.000 0.284 548 Y C 1.880 177.696 175.900 -0.141 0.000 1.179 548 Y CA 1.819 59.859 58.100 -0.100 0.000 1.179 548 Y CB -0.402 38.004 38.460 -0.090 0.000 0.973 548 Y HN 0.193 nan 8.280 nan 0.000 0.519 549 L N 0.900 122.094 121.223 -0.049 0.000 2.012 549 L HA -0.232 4.100 4.340 -0.013 0.000 0.210 549 L C 2.401 179.234 176.870 -0.062 0.000 1.073 549 L CA 2.168 56.957 54.840 -0.085 0.000 0.748 549 L CB -1.117 40.817 42.059 -0.209 0.000 0.891 549 L HN 0.360 nan 8.230 nan 0.000 0.431 550 E N -1.609 118.559 120.200 -0.053 0.000 2.152 550 E HA -0.155 4.187 4.350 -0.013 0.000 0.192 550 E C 2.281 178.836 176.600 -0.075 0.000 0.983 550 E CA 0.402 56.790 56.400 -0.019 0.000 0.818 550 E CB 0.088 29.812 29.700 0.040 0.000 0.758 550 E HN 0.356 nan 8.360 nan 0.000 0.467 551 R N 0.698 121.118 120.500 -0.133 0.000 2.096 551 R HA -0.163 4.169 4.340 -0.013 0.000 0.229 551 R C 2.020 178.151 176.300 -0.282 0.000 1.134 551 R CA 1.696 57.688 56.100 -0.180 0.000 0.917 551 R CB -0.069 30.112 30.300 -0.197 0.000 0.832 551 R HN -0.012 nan 8.270 nan 0.000 0.430 552 E N -1.649 118.241 120.200 -0.516 0.000 2.299 552 E HA -0.065 4.278 4.350 -0.013 0.000 0.193 552 E C 0.763 176.905 176.600 -0.763 0.000 0.998 552 E CA 0.805 56.782 56.400 -0.706 0.000 0.851 552 E CB 0.397 29.444 29.700 -1.088 0.000 0.795 552 E HN 0.380 nan 8.360 nan 0.000 0.492 553 Y N -0.182 119.993 120.300 -0.209 0.000 2.452 553 Y HA 0.279 4.822 4.550 -0.013 0.000 0.262 553 Y C -0.348 175.520 175.900 -0.053 0.000 1.089 553 Y CA -0.437 57.606 58.100 -0.094 0.000 1.262 553 Y CB 0.814 39.237 38.460 -0.061 0.000 1.236 553 Y HN -0.337 nan 8.280 nan 0.000 0.512 554 K N 1.034 121.465 120.400 0.053 0.000 6.228 554 K HA -0.073 4.239 4.320 -0.013 0.000 0.581 554 K C -0.632 176.009 176.600 0.068 0.000 1.437 554 K CA 0.928 57.242 56.287 0.045 0.000 1.549 554 K CB -1.658 30.855 32.500 0.022 0.000 1.807 554 K HN 0.446 nan 8.250 nan 0.000 0.358 555 V N -2.740 117.220 119.914 0.077 0.000 5.829 555 V HA 0.007 4.119 4.120 -0.013 0.000 0.697 555 V C -0.099 176.076 176.094 0.135 0.000 1.997 555 V CA -0.073 62.286 62.300 0.099 0.000 3.668 555 V CB -1.097 30.780 31.823 0.090 0.000 0.116 555 V HN 0.960 nan 8.190 nan 0.000 0.567 556 H N 0.940 120.021 119.070 0.018 0.000 2.892 556 H HA -0.088 4.460 4.556 -0.013 0.000 0.274 556 H C -0.234 175.106 175.328 0.020 0.000 0.794 556 H CA 1.968 58.029 56.048 0.022 0.000 1.128 556 H CB 0.109 29.887 29.762 0.028 0.000 1.126 556 H HN 1.287 nan 8.280 nan 0.000 0.623 557 I N -0.018 120.217 120.570 -0.558 0.000 3.195 557 I HA 0.429 4.591 4.170 -0.013 0.000 0.313 557 I C -0.668 175.216 176.117 -0.389 0.000 1.237 557 I CA -1.300 59.822 61.300 -0.296 0.000 0.963 557 I CB 2.198 40.112 38.000 -0.144 0.000 1.278 557 I HN 0.610 nan 8.210 nan 0.000 0.460 558 N N 2.787 121.455 118.700 -0.052 0.000 2.469 558 N HA 0.513 5.245 4.740 -0.013 0.000 0.253 558 N C -2.254 173.331 175.510 0.124 0.000 0.970 558 N CA -2.539 50.531 53.050 0.033 0.000 0.940 558 N CB 1.621 40.154 38.487 0.077 0.000 1.128 558 N HN 0.325 nan 8.380 nan 0.000 0.503 559 P HA 0.044 nan 4.420 nan 0.000 0.239 559 P C -0.083 177.127 177.300 -0.150 0.000 1.184 559 P CA 0.973 64.054 63.100 -0.032 0.000 0.760 559 P CB 0.168 31.871 31.700 0.005 0.000 0.884 560 N N -1.266 117.404 118.700 -0.049 0.000 2.356 560 N HA 0.001 4.733 4.740 -0.013 0.000 0.178 560 N C 0.650 176.151 175.510 -0.015 0.000 1.075 560 N CA -0.082 52.945 53.050 -0.039 0.000 0.889 560 N CB 0.095 38.588 38.487 0.010 0.000 0.999 560 N HN 0.134 nan 8.380 nan 0.000 0.464 561 S N 0.332 116.025 115.700 -0.012 0.000 2.617 561 S HA 0.155 4.617 4.470 -0.013 0.000 0.259 561 S C 0.089 174.605 174.600 -0.140 0.000 1.301 561 S CA -0.765 57.426 58.200 -0.015 0.000 0.984 561 S CB 0.795 64.022 63.200 0.044 0.000 0.954 561 S HN 0.155 nan 8.310 nan 0.000 0.572 562 L N 1.168 122.200 121.223 -0.319 0.000 2.319 562 L HA 0.399 4.731 4.340 -0.013 0.000 0.280 562 L C -0.920 175.911 176.870 -0.065 0.000 1.099 562 L CA -0.582 53.883 54.840 -0.626 0.000 0.828 562 L CB 0.005 41.471 42.059 -0.988 0.000 1.150 562 L HN 0.698 nan 8.230 nan 0.000 0.442 563 F N 4.069 123.872 119.950 -0.244 0.000 2.377 563 F HA 0.104 4.624 4.527 -0.012 0.000 0.360 563 F C 0.379 176.100 175.800 -0.132 0.000 1.147 563 F CA -0.843 57.082 58.000 -0.126 0.000 1.170 563 F CB 0.593 39.564 39.000 -0.048 0.000 1.339 563 F HN 0.508 nan 8.300 nan 0.000 0.552 564 D N 4.798 125.194 120.400 -0.007 0.000 2.411 564 D HA 0.214 4.846 4.640 -0.013 0.000 0.225 564 D C -0.965 175.266 176.300 -0.114 0.000 1.156 564 D CA 0.070 54.018 54.000 -0.086 0.000 0.874 564 D CB 1.269 42.007 40.800 -0.103 0.000 1.034 564 D HN 0.259 nan 8.370 nan 0.000 0.502 565 V N 2.835 122.668 119.914 -0.136 0.000 2.735 565 V HA 0.565 4.677 4.120 -0.013 0.000 0.310 565 V C -1.385 174.571 176.094 -0.230 0.000 1.061 565 V CA -0.699 61.506 62.300 -0.158 0.000 0.913 565 V CB 1.971 33.743 31.823 -0.085 0.000 1.005 565 V HN 0.496 nan 8.190 nan 0.000 0.428 566 Q N 4.300 123.972 119.800 -0.212 0.000 2.347 566 Q HA 0.667 4.999 4.340 -0.013 0.000 0.265 566 Q C -1.502 174.336 176.000 -0.271 0.000 1.024 566 Q CA -0.649 55.016 55.803 -0.230 0.000 0.731 566 Q CB 1.898 30.525 28.738 -0.185 0.000 1.245 566 Q HN 1.154 nan 8.270 nan 0.000 0.472 567 V N 2.248 121.990 119.914 -0.286 0.000 2.443 567 V HA 0.846 4.958 4.120 -0.013 0.000 0.293 567 V C -0.851 174.962 176.094 -0.468 0.000 1.021 567 V CA -0.577 61.363 62.300 -0.601 0.000 0.848 567 V CB 1.234 32.454 31.823 -1.005 0.000 0.998 567 V HN 0.797 nan 8.190 nan 0.000 0.424 568 K N 2.793 122.982 120.400 -0.351 0.000 2.809 568 K HA 0.436 4.748 4.320 -0.013 0.000 0.293 568 K C -1.244 175.360 176.600 0.006 0.000 1.061 568 K CA -1.039 55.218 56.287 -0.050 0.000 0.837 568 K CB 1.069 33.528 32.500 -0.068 0.000 1.524 568 K HN 0.469 nan 8.250 nan 0.000 0.370 569 R N 0.786 121.334 120.500 0.080 0.000 2.698 569 R HA 0.169 4.501 4.340 -0.013 0.000 0.266 569 R C 0.396 176.715 176.300 0.032 0.000 1.026 569 R CA -0.285 55.873 56.100 0.096 0.000 1.102 569 R CB -0.165 30.218 30.300 0.139 0.000 0.978 569 R HN 0.468 nan 8.270 nan 0.000 0.436 570 I N 3.937 124.535 120.570 0.046 0.000 2.452 570 I HA 0.095 4.257 4.170 -0.013 0.000 0.287 570 I C 0.770 176.865 176.117 -0.038 0.000 1.079 570 I CA 0.535 61.817 61.300 -0.029 0.000 1.387 570 I CB -0.176 37.796 38.000 -0.047 0.000 1.404 570 I HN 0.346 nan 8.210 nan 0.000 0.522 571 H N 5.016 123.975 119.070 -0.187 0.000 3.012 571 H HA 0.249 4.797 4.556 -0.013 0.000 0.367 571 H C 0.331 175.536 175.328 -0.206 0.000 1.211 571 H CA -0.396 55.577 56.048 -0.126 0.000 1.139 571 H CB 1.972 31.617 29.762 -0.195 0.000 1.838 571 H HN 0.572 nan 8.280 nan 0.000 0.550 572 E N 1.650 121.929 120.200 0.132 0.000 2.150 572 E HA -0.197 4.145 4.350 -0.013 0.000 0.193 572 E C 1.301 177.704 176.600 -0.329 0.000 0.985 572 E CA 1.491 57.915 56.400 0.040 0.000 0.814 572 E CB 0.005 29.890 29.700 0.310 0.000 0.752 572 E HN 0.559 nan 8.360 nan 0.000 0.466 573 Y N 0.550 120.441 120.300 -0.680 0.000 2.439 573 Y HA 0.044 4.587 4.550 -0.013 0.000 0.292 573 Y C 1.518 177.160 175.900 -0.431 0.000 1.130 573 Y CA 0.562 58.013 58.100 -1.081 0.000 1.254 573 Y CB 0.062 37.880 38.460 -1.070 0.000 1.000 573 Y HN -0.218 nan 8.280 nan 0.000 0.554 574 K N 1.051 121.004 120.400 -0.743 0.000 2.366 574 K HA 0.016 4.328 4.320 -0.013 0.000 0.198 574 K C 0.229 176.660 176.600 -0.281 0.000 1.044 574 K CA 0.646 56.596 56.287 -0.562 0.000 0.973 574 K CB -0.164 32.008 32.500 -0.546 0.000 0.767 574 K HN 0.395 nan 8.250 nan 0.000 0.475 575 R N 0.830 121.199 120.500 -0.218 0.000 3.333 575 R HA -0.195 4.137 4.340 -0.013 0.000 0.256 575 R C 0.618 176.843 176.300 -0.126 0.000 1.010 575 R CA 0.231 56.252 56.100 -0.131 0.000 0.680 575 R CB -1.889 28.347 30.300 -0.107 0.000 1.102 575 R HN 0.229 nan 8.270 nan 0.000 0.440 576 Q N 0.118 119.843 119.800 -0.126 0.000 2.291 576 Q HA -0.033 4.299 4.340 -0.013 0.000 0.206 576 Q C 1.812 177.765 176.000 -0.078 0.000 0.976 576 Q CA 1.293 57.033 55.803 -0.104 0.000 0.875 576 Q CB 0.071 28.750 28.738 -0.097 0.000 0.927 576 Q HN 0.595 nan 8.270 nan 0.000 0.450 577 L N -0.617 120.563 121.223 -0.072 0.000 2.093 577 L HA -0.175 4.157 4.340 -0.013 0.000 0.208 577 L C 1.957 178.828 176.870 0.001 0.000 1.085 577 L CA 0.521 55.333 54.840 -0.047 0.000 0.755 577 L CB -0.292 41.748 42.059 -0.032 0.000 0.904 577 L HN 0.319 nan 8.230 nan 0.000 0.435 578 L N -0.052 121.163 121.223 -0.013 0.000 2.093 578 L HA -0.227 4.105 4.340 -0.013 0.000 0.208 578 L C 1.986 178.896 176.870 0.066 0.000 1.085 578 L CA 1.888 56.732 54.840 0.006 0.000 0.755 578 L CB -0.832 41.132 42.059 -0.159 0.000 0.904 578 L HN 0.278 nan 8.230 nan 0.000 0.435 579 N N -1.807 116.901 118.700 0.013 0.000 2.120 579 N HA -0.226 4.506 4.740 -0.013 0.000 0.188 579 N C 1.957 177.552 175.510 0.141 0.000 1.024 579 N CA 1.495 54.627 53.050 0.136 0.000 0.852 579 N CB -0.126 38.379 38.487 0.030 0.000 1.003 579 N HN 0.486 nan 8.380 nan 0.000 0.424 580 C N 0.532 119.854 119.300 0.038 0.000 2.413 580 C HA -0.075 4.377 4.460 -0.013 0.000 0.276 580 C C 2.584 177.587 174.990 0.021 0.000 1.236 580 C CA 0.384 59.383 59.018 -0.031 0.000 1.735 580 C CB -1.243 26.427 27.740 -0.118 0.000 2.031 580 C HN 0.517 nan 8.230 nan 0.000 0.474 581 L N -0.168 121.125 121.223 0.115 0.000 2.043 581 L HA -0.235 4.097 4.340 -0.013 0.000 0.212 581 L C 2.751 179.787 176.870 0.276 0.000 1.075 581 L CA 2.035 56.995 54.840 0.201 0.000 0.752 581 L CB -1.141 41.113 42.059 0.325 0.000 0.891 581 L HN 0.613 nan 8.230 nan 0.000 0.432 582 H N -0.140 119.055 119.070 0.208 0.000 2.353 582 H HA -0.131 4.417 4.556 -0.013 0.000 0.300 582 H C 2.242 177.577 175.328 0.012 0.000 1.090 582 H CA 1.873 57.965 56.048 0.074 0.000 1.327 582 H CB 0.283 30.029 29.762 -0.026 0.000 1.383 582 H HN 0.096 nan 8.280 nan 0.000 0.508 583 V N 1.536 121.402 119.914 -0.079 0.000 2.287 583 V HA -0.271 3.841 4.120 -0.013 0.000 0.248 583 V C 2.864 178.901 176.094 -0.095 0.000 1.053 583 V CA 1.903 64.108 62.300 -0.158 0.000 1.027 583 V CB -0.527 31.248 31.823 -0.080 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.337 120.218 120.570 -0.025 0.000 2.361 584 I HA -0.230 3.932 4.170 -0.013 0.000 0.251 584 I C 2.488 178.680 176.117 0.124 0.000 1.133 584 I CA 1.673 63.033 61.300 0.100 0.000 1.413 584 I CB -0.536 37.511 38.000 0.079 0.000 1.073 584 I HN 0.335 nan 8.210 nan 0.000 0.424 585 T N 1.044 115.615 114.554 0.029 0.000 2.674 585 T HA -0.156 4.186 4.350 -0.013 0.000 0.265 585 T C 1.864 176.519 174.700 -0.075 0.000 1.039 585 T CA 1.178 63.281 62.100 0.004 0.000 1.150 585 T CB -0.248 68.633 68.868 0.022 0.000 0.864 585 T HN 0.074 nan 8.240 nan 0.000 0.427 586 L N 0.245 121.346 121.223 -0.203 0.000 2.043 586 L HA -0.073 4.259 4.340 -0.013 0.000 0.212 586 L C 2.064 178.898 176.870 -0.060 0.000 1.075 586 L CA 1.622 56.344 54.840 -0.197 0.000 0.752 586 L CB -1.107 40.776 42.059 -0.294 0.000 0.891 586 L HN 0.388 nan 8.230 nan 0.000 0.432 587 Y N 0.201 120.441 120.300 -0.099 0.000 2.145 587 Y HA -0.295 4.248 4.550 -0.013 0.000 0.286 587 Y C 2.453 178.335 175.900 -0.030 0.000 1.145 587 Y CA 1.866 59.948 58.100 -0.031 0.000 1.148 587 Y CB -0.077 38.416 38.460 0.056 0.000 0.981 587 Y HN 0.275 nan 8.280 nan 0.000 0.507 588 N N 0.427 119.087 118.700 -0.068 0.000 2.223 588 N HA -0.134 4.598 4.740 -0.013 0.000 0.185 588 N C 1.769 177.164 175.510 -0.192 0.000 1.016 588 N CA 1.428 54.366 53.050 -0.186 0.000 0.863 588 N CB -0.310 38.135 38.487 -0.070 0.000 0.983 588 N HN 0.464 nan 8.380 nan 0.000 0.429 589 R N 0.296 120.712 120.500 -0.141 0.000 2.073 589 R HA 0.099 4.431 4.340 -0.013 0.000 0.229 589 R C 2.195 178.408 176.300 -0.146 0.000 1.120 589 R CA 0.685 56.710 56.100 -0.125 0.000 0.967 589 R CB -0.237 30.001 30.300 -0.104 0.000 0.862 589 R HN 0.211 nan 8.270 nan 0.000 0.436 590 I N 1.077 121.543 120.570 -0.175 0.000 2.226 590 I HA -0.265 3.897 4.170 -0.013 0.000 0.245 590 I C 2.028 178.028 176.117 -0.195 0.000 1.100 590 I CA 1.227 62.426 61.300 -0.168 0.000 1.374 590 I CB -0.110 37.795 38.000 -0.159 0.000 1.057 590 I HN 0.009 nan 8.210 nan 0.000 0.413 591 K N 0.664 120.881 120.400 -0.305 0.000 2.280 591 K HA -0.190 4.122 4.320 -0.013 0.000 0.202 591 K C 1.973 178.467 176.600 -0.177 0.000 1.047 591 K CA 0.976 57.093 56.287 -0.284 0.000 0.942 591 K CB -0.208 32.031 32.500 -0.435 0.000 0.739 591 K HN 0.161 nan 8.250 nan 0.000 0.457 592 K N 1.798 122.103 120.400 -0.158 0.000 2.067 592 K HA -0.049 4.264 4.320 -0.013 0.000 0.203 592 K C 0.160 176.710 176.600 -0.082 0.000 1.048 592 K CA 1.183 57.404 56.287 -0.111 0.000 0.954 592 K CB 0.380 32.819 32.500 -0.103 0.000 0.737 592 K HN 0.051 nan 8.250 nan 0.000 0.444 593 E N 0.802 120.953 120.200 -0.081 0.000 3.037 593 E HA 0.178 4.520 4.350 -0.013 0.000 0.220 593 E C -2.322 174.244 176.600 -0.056 0.000 1.142 593 E CA -1.752 54.614 56.400 -0.057 0.000 0.888 593 E CB 1.491 31.164 29.700 -0.045 0.000 1.329 593 E HN 0.088 nan 8.360 nan 0.000 0.409 594 P HA -0.191 nan 4.420 nan 0.000 0.216 594 P C 0.295 177.581 177.300 -0.024 0.000 1.153 594 P CA 1.364 64.435 63.100 -0.048 0.000 0.858 594 P CB 0.129 31.805 31.700 -0.039 0.000 0.789 595 N N -0.962 117.732 118.700 -0.010 0.000 2.346 595 N HA 0.024 4.756 4.740 -0.013 0.000 0.225 595 N C 0.354 175.882 175.510 0.029 0.000 1.144 595 N CA 0.035 53.092 53.050 0.012 0.000 0.837 595 N CB -0.105 38.388 38.487 0.011 0.000 1.069 595 N HN 0.083 nan 8.380 nan 0.000 0.487 596 K N 1.017 121.429 120.400 0.020 0.000 2.182 596 K HA 0.195 4.508 4.320 -0.013 0.000 0.262 596 K C -1.041 175.602 176.600 0.071 0.000 0.957 596 K CA -0.668 55.645 56.287 0.044 0.000 0.842 596 K CB 0.853 33.358 32.500 0.009 0.000 1.099 596 K HN -0.042 nan 8.250 nan 0.000 0.438 597 F N 4.490 124.428 119.950 -0.020 0.000 2.443 597 F HA 0.258 4.778 4.527 -0.013 0.000 0.353 597 F C -0.467 175.320 175.800 -0.021 0.000 1.101 597 F CA -0.017 57.973 58.000 -0.018 0.000 1.226 597 F CB 0.704 39.696 39.000 -0.013 0.000 1.140 597 F HN 0.201 nan 8.300 nan 0.000 0.557 598 V N 3.785 123.045 119.914 -1.090 0.000 2.971 598 V HA 0.520 4.632 4.120 -0.013 0.000 0.309 598 V C -0.852 174.585 176.094 -1.095 0.000 1.130 598 V CA -1.258 60.569 62.300 -0.788 0.000 0.964 598 V CB 0.925 32.515 31.823 -0.389 0.000 1.029 598 V HN 0.587 nan 8.190 nan 0.000 0.427 599 V N 4.349 123.921 119.914 -0.570 0.000 2.485 599 V HA 0.210 4.322 4.120 -0.013 0.000 0.287 599 V C -1.810 174.124 176.094 -0.266 0.000 1.022 599 V CA -0.476 61.641 62.300 -0.307 0.000 1.067 599 V CB 0.457 32.227 31.823 -0.088 0.000 0.967 599 V HN 0.908 nan 8.190 nan 0.000 0.479 600 P HA 0.378 nan 4.420 nan 0.000 0.269 600 P C -0.480 176.738 177.300 -0.137 0.000 1.209 600 P CA -0.153 62.868 63.100 -0.133 0.000 0.776 600 P CB 0.572 32.242 31.700 -0.050 0.000 0.876 601 R N 0.552 120.987 120.500 -0.108 0.000 2.698 601 R HA 0.600 4.932 4.340 -0.013 0.000 0.275 601 R C -0.957 175.319 176.300 -0.041 0.000 1.001 601 R CA -0.595 55.444 56.100 -0.102 0.000 0.896 601 R CB 2.000 32.221 30.300 -0.131 0.000 1.218 601 R HN 0.282 nan 8.270 nan 0.000 0.462 602 T N 1.924 116.479 114.554 0.001 0.000 2.833 602 T HA 0.238 4.580 4.350 -0.013 0.000 0.297 602 T C -0.879 173.762 174.700 -0.099 0.000 1.015 602 T CA -0.577 61.498 62.100 -0.042 0.000 0.963 602 T CB 1.193 70.027 68.868 -0.057 0.000 0.955 602 T HN 0.346 nan 8.240 nan 0.000 0.449 603 V N 4.905 124.757 119.914 -0.103 0.000 2.370 603 V HA 0.704 4.816 4.120 -0.013 0.000 0.279 603 V C -0.575 175.441 176.094 -0.131 0.000 1.029 603 V CA -0.684 61.552 62.300 -0.107 0.000 0.870 603 V CB 0.805 32.585 31.823 -0.072 0.000 0.984 603 V HN 0.876 nan 8.190 nan 0.000 0.451 604 M N 7.500 127.004 119.600 -0.160 0.000 2.167 604 M HA 0.591 5.063 4.480 -0.013 0.000 0.333 604 M C -0.949 175.231 176.300 -0.200 0.000 1.030 604 M CA -0.205 54.987 55.300 -0.180 0.000 0.963 604 M CB 1.913 34.391 32.600 -0.203 0.000 1.589 604 M HN 0.531 nan 8.290 nan 0.000 0.431 605 I N 2.368 122.808 120.570 -0.216 0.000 2.418 605 I HA 0.722 4.884 4.170 -0.013 0.000 0.287 605 I C 0.156 175.939 176.117 -0.557 0.000 1.008 605 I CA -0.564 60.582 61.300 -0.256 0.000 1.104 605 I CB 1.963 39.909 38.000 -0.091 0.000 1.264 605 I HN 0.788 nan 8.210 nan 0.000 0.438 606 G N 3.331 111.769 108.800 -0.604 0.000 2.612 606 G HA2 0.848 4.800 3.960 -0.013 0.000 0.298 606 G HA3 0.848 4.800 3.960 -0.013 0.000 0.298 606 G C -0.927 173.668 174.900 -0.509 0.000 1.336 606 G CA -0.908 43.696 45.100 -0.828 0.000 0.953 606 G HN 0.921 nan 8.290 nan 0.000 0.482 607 G N -0.233 108.414 108.800 -0.255 0.000 2.358 607 G HA2 0.437 4.389 3.960 -0.013 0.000 0.301 607 G HA3 0.437 4.389 3.960 -0.013 0.000 0.301 607 G C -1.466 173.552 174.900 0.198 0.000 1.539 607 G CA -0.987 44.133 45.100 0.034 0.000 0.893 607 G HN 0.605 nan 8.290 nan 0.000 0.636 608 K N -0.255 120.262 120.400 0.195 0.000 2.123 608 K HA 0.777 5.090 4.320 -0.013 0.000 0.259 608 K C 0.137 176.870 176.600 0.221 0.000 0.960 608 K CA -0.264 56.154 56.287 0.218 0.000 0.872 608 K CB 1.973 34.506 32.500 0.054 0.000 1.079 608 K HN 0.866 nan 8.250 nan 0.000 0.440 609 A N 1.523 124.516 122.820 0.289 0.000 2.330 609 A HA 0.676 4.988 4.320 -0.013 0.000 0.327 609 A C -0.604 177.173 177.584 0.322 0.000 1.155 609 A CA -0.736 51.422 52.037 0.201 0.000 0.803 609 A CB 1.155 20.199 19.000 0.073 0.000 1.208 609 A HN 0.776 nan 8.150 nan 0.000 0.477 610 A N 3.517 126.507 122.820 0.283 0.000 2.498 610 A HA 0.488 4.800 4.320 -0.013 0.000 0.239 610 A C -1.402 176.281 177.584 0.165 0.000 1.068 610 A CA -0.838 51.366 52.037 0.279 0.000 0.766 610 A CB -0.343 18.778 19.000 0.202 0.000 1.003 610 A HN 0.595 nan 8.150 nan 0.000 0.497 611 P HA -0.145 nan 4.420 nan 0.000 0.217 611 P C 1.329 178.629 177.300 -0.001 0.000 1.148 611 P CA 2.014 65.076 63.100 -0.064 0.000 0.828 611 P CB 0.194 31.804 31.700 -0.151 0.000 0.783 612 G N -3.052 105.765 108.800 0.028 0.000 3.042 612 G HA2 -0.100 3.852 3.960 -0.013 0.000 0.212 612 G HA3 -0.100 3.852 3.960 -0.013 0.000 0.212 612 G C -0.030 174.906 174.900 0.061 0.000 1.166 612 G CA -0.157 44.957 45.100 0.024 0.000 0.767 612 G HN 0.303 nan 8.290 nan 0.000 0.546 613 Y N 2.065 122.307 120.300 -0.097 0.000 2.594 613 Y HA 0.118 4.660 4.550 -0.013 0.000 0.344 613 Y C 1.784 177.665 175.900 -0.032 0.000 1.185 613 Y CA -0.932 57.092 58.100 -0.126 0.000 1.565 613 Y CB -0.019 38.334 38.460 -0.178 0.000 1.415 613 Y HN 0.319 nan 8.280 nan 0.000 0.488 614 H N 3.639 122.823 119.070 0.191 0.000 2.289 614 H HA -0.246 4.302 4.556 -0.013 0.000 0.296 614 H C 1.861 177.218 175.328 0.048 0.000 1.091 614 H CA 2.336 58.441 56.048 0.096 0.000 1.274 614 H CB 0.342 30.152 29.762 0.080 0.000 1.364 614 H HN 0.687 nan 8.280 nan 0.000 0.490 615 M N 1.162 120.728 119.600 -0.058 0.000 2.065 615 M HA -0.125 4.347 4.480 -0.013 0.000 0.259 615 M C 2.687 178.734 176.300 -0.421 0.000 1.069 615 M CA 2.051 57.225 55.300 -0.210 0.000 1.110 615 M CB -1.103 31.514 32.600 0.028 0.000 1.328 615 M HN 0.365 nan 8.290 nan 0.000 0.405 616 A N -0.481 121.832 122.820 -0.845 0.000 1.948 616 A HA -0.247 4.065 4.320 -0.013 0.000 0.220 616 A C 2.206 179.580 177.584 -0.350 0.000 1.177 616 A CA 2.175 53.755 52.037 -0.762 0.000 0.636 616 A CB -0.778 17.535 19.000 -1.144 0.000 0.815 616 A HN 0.631 nan 8.150 nan 0.000 0.449 617 K N -1.440 118.812 120.400 -0.246 0.000 2.288 617 K HA 0.020 4.332 4.320 -0.013 0.000 0.201 617 K C 1.799 178.361 176.600 -0.062 0.000 1.048 617 K CA 0.931 57.169 56.287 -0.081 0.000 0.956 617 K CB -0.141 32.376 32.500 0.027 0.000 0.746 617 K HN 0.338 nan 8.250 nan 0.000 0.461 618 M N 0.436 119.943 119.600 -0.155 0.000 2.254 618 M HA -0.022 4.450 4.480 -0.013 0.000 0.265 618 M C 1.986 178.231 176.300 -0.093 0.000 1.066 618 M CA 1.302 56.548 55.300 -0.090 0.000 1.123 618 M CB -0.403 32.104 32.600 -0.154 0.000 1.388 618 M HN 0.104 nan 8.290 nan 0.000 0.425 619 I N -0.493 119.982 120.570 -0.159 0.000 2.315 619 I HA -0.276 3.886 4.170 -0.013 0.000 0.248 619 I C 2.241 178.234 176.117 -0.208 0.000 1.117 619 I CA 0.920 62.118 61.300 -0.170 0.000 1.404 619 I CB -0.270 37.625 38.000 -0.174 0.000 1.071 619 I HN 0.147 nan 8.210 nan 0.000 0.419 620 I N 0.827 121.257 120.570 -0.233 0.000 2.208 620 I HA -0.312 3.851 4.170 -0.013 0.000 0.245 620 I C 2.569 178.403 176.117 -0.472 0.000 1.097 620 I CA 1.277 62.348 61.300 -0.382 0.000 1.363 620 I CB -0.218 37.550 38.000 -0.385 0.000 1.051 620 I HN 0.158 nan 8.210 nan 0.000 0.413 621 K N 1.314 121.455 120.400 -0.432 0.000 2.148 621 K HA -0.128 4.184 4.320 -0.013 0.000 0.204 621 K C 1.976 178.413 176.600 -0.272 0.000 1.050 621 K CA 1.372 57.319 56.287 -0.567 0.000 0.942 621 K CB -0.445 31.457 32.500 -0.996 0.000 0.724 621 K HN 0.237 nan 8.250 nan 0.000 0.446 622 L N 0.350 121.445 121.223 -0.214 0.000 2.027 622 L HA -0.128 4.204 4.340 -0.013 0.000 0.206 622 L C 2.137 178.767 176.870 -0.399 0.000 1.074 622 L CA 1.629 56.197 54.840 -0.454 0.000 0.745 622 L CB -0.312 41.420 42.059 -0.545 0.000 0.898 622 L HN 0.236 nan 8.230 nan 0.000 0.433 623 I N -0.002 120.384 120.570 -0.306 0.000 2.163 623 I HA -0.351 3.811 4.170 -0.013 0.000 0.243 623 I C 2.619 178.613 176.117 -0.204 0.000 1.085 623 I CA 2.004 63.172 61.300 -0.220 0.000 1.347 623 I CB -0.706 37.245 38.000 -0.082 0.000 1.044 623 I HN 0.428 nan 8.210 nan 0.000 0.408 624 T N -0.794 113.609 114.554 -0.252 0.000 2.867 624 T HA -0.062 4.280 4.350 -0.013 0.000 0.268 624 T C 1.963 176.577 174.700 -0.144 0.000 1.057 624 T CA 0.930 62.913 62.100 -0.194 0.000 1.136 624 T CB -0.438 68.272 68.868 -0.264 0.000 0.874 624 T HN 0.357 nan 8.240 nan 0.000 0.466 625 A N 1.438 124.164 122.820 -0.157 0.000 1.930 625 A HA 0.153 4.465 4.320 -0.013 0.000 0.217 625 A C 2.350 179.905 177.584 -0.048 0.000 1.175 625 A CA 1.238 53.243 52.037 -0.053 0.000 0.627 625 A CB -0.787 18.247 19.000 0.057 0.000 0.815 625 A HN 0.577 nan 8.150 nan 0.000 0.443 626 I N -0.320 120.111 120.570 -0.232 0.000 2.252 626 I HA -0.174 3.988 4.170 -0.013 0.000 0.245 626 I C 2.671 178.715 176.117 -0.122 0.000 1.102 626 I CA 1.131 62.267 61.300 -0.273 0.000 1.385 626 I CB -0.471 37.264 38.000 -0.442 0.000 1.064 626 I HN 0.384 nan 8.210 nan 0.000 0.414 627 G N 0.149 108.874 108.800 -0.125 0.000 2.422 627 G HA2 -0.238 3.714 3.960 -0.013 0.000 0.218 627 G HA3 -0.238 3.714 3.960 -0.013 0.000 0.218 627 G C 1.272 176.110 174.900 -0.103 0.000 1.146 627 G CA 0.812 45.844 45.100 -0.113 0.000 0.769 627 G HN 0.267 nan 8.290 nan 0.000 0.547 628 D N 0.156 120.541 120.400 -0.024 0.000 2.123 628 D HA -0.092 4.540 4.640 -0.013 0.000 0.196 628 D C 2.741 179.102 176.300 0.102 0.000 0.992 628 D CA 0.770 54.822 54.000 0.088 0.000 0.833 628 D CB -0.286 40.559 40.800 0.076 0.000 0.954 628 D HN 0.225 nan 8.370 nan 0.000 0.455 629 V N 0.346 120.263 119.914 0.004 0.000 2.273 629 V HA -0.163 3.949 4.120 -0.013 0.000 0.242 629 V C 2.658 178.671 176.094 -0.135 0.000 1.035 629 V CA 0.903 63.154 62.300 -0.081 0.000 1.013 629 V CB -0.458 31.268 31.823 -0.160 0.000 0.652 629 V HN 0.024 nan 8.190 nan 0.000 0.452 630 V N 0.976 120.751 119.914 -0.231 0.000 2.332 630 V HA -0.244 3.869 4.120 -0.013 0.000 0.248 630 V C 2.146 178.172 176.094 -0.114 0.000 1.055 630 V CA 2.165 64.332 62.300 -0.222 0.000 1.038 630 V CB -0.937 30.759 31.823 -0.212 0.000 0.651 630 V HN 0.577 nan 8.190 nan 0.000 0.450 631 N N -0.464 118.096 118.700 -0.233 0.000 2.573 631 N HA -0.085 4.647 4.740 -0.013 0.000 0.187 631 N C 1.113 176.342 175.510 -0.468 0.000 1.107 631 N CA 0.903 53.734 53.050 -0.364 0.000 0.918 631 N CB -0.295 37.889 38.487 -0.505 0.000 0.966 631 N HN 0.712 nan 8.380 nan 0.000 0.448 632 H N -1.705 117.374 119.070 0.015 0.000 2.662 632 H HA 0.210 4.758 4.556 -0.013 0.000 0.268 632 H C -0.622 174.729 175.328 0.039 0.000 1.152 632 H CA -0.510 55.550 56.048 0.020 0.000 1.072 632 H CB 0.707 30.469 29.762 0.001 0.000 1.660 632 H HN -0.042 nan 8.280 nan 0.000 0.584 633 D N 1.659 122.138 120.400 0.131 0.000 2.313 633 D HA 0.061 4.694 4.640 -0.013 0.000 0.239 633 D C -1.658 174.710 176.300 0.113 0.000 1.142 633 D CA -2.175 51.917 54.000 0.154 0.000 0.847 633 D CB 1.780 42.744 40.800 0.274 0.000 1.082 633 D HN 0.104 nan 8.370 nan 0.000 0.480 634 P HA -0.117 nan 4.420 nan 0.000 0.218 634 P C 1.570 178.900 177.300 0.051 0.000 1.149 634 P CA 0.385 63.523 63.100 0.064 0.000 0.817 634 P CB 0.432 32.163 31.700 0.052 0.000 0.785 635 V N -0.590 119.353 119.914 0.048 0.000 2.515 635 V HA -0.162 3.950 4.120 -0.013 0.000 0.250 635 V C 2.422 178.528 176.094 0.020 0.000 1.058 635 V CA 1.468 63.782 62.300 0.024 0.000 1.064 635 V CB -0.993 30.831 31.823 0.002 0.000 0.675 635 V HN -0.015 nan 8.190 nan 0.000 0.461 636 V N -0.206 119.738 119.914 0.050 0.000 2.453 636 V HA 0.104 4.216 4.120 -0.013 0.000 0.247 636 V C 1.801 177.914 176.094 0.032 0.000 1.048 636 V CA 1.475 63.804 62.300 0.049 0.000 1.049 636 V CB -1.153 30.743 31.823 0.121 0.000 0.672 636 V HN 0.732 nan 8.190 nan 0.000 0.457 637 G N 1.508 110.333 108.800 0.041 0.000 2.550 637 G HA2 -0.402 3.550 3.960 -0.013 0.000 0.277 637 G HA3 -0.402 3.550 3.960 -0.013 0.000 0.277 637 G C 0.239 175.161 174.900 0.036 0.000 1.190 637 G CA 0.599 45.722 45.100 0.038 0.000 0.971 637 G HN 0.743 nan 8.290 nan 0.000 0.559 638 D N -0.228 120.194 120.400 0.037 0.000 2.388 638 D HA 0.359 4.991 4.640 -0.013 0.000 0.221 638 D C 1.800 178.110 176.300 0.016 0.000 1.133 638 D CA 0.130 54.155 54.000 0.041 0.000 0.831 638 D CB 0.171 41.011 40.800 0.067 0.000 0.962 638 D HN 0.565 nan 8.370 nan 0.000 0.502 639 R N -0.621 119.876 120.500 -0.006 0.000 2.200 639 R HA 0.284 4.617 4.340 -0.013 0.000 0.208 639 R C -0.214 176.055 176.300 -0.053 0.000 1.033 639 R CA 0.262 56.333 56.100 -0.049 0.000 1.000 639 R CB 0.232 30.482 30.300 -0.083 0.000 0.906 639 R HN 0.166 nan 8.270 nan 0.000 0.462 640 L N 0.741 121.950 121.223 -0.023 0.000 2.516 640 L HA 0.387 4.719 4.340 -0.013 0.000 0.267 640 L C -1.612 175.244 176.870 -0.024 0.000 0.957 640 L CA -0.526 54.299 54.840 -0.026 0.000 0.860 640 L CB 1.686 43.742 42.059 -0.005 0.000 1.265 640 L HN -0.126 nan 8.230 nan 0.000 0.403 641 R N 4.171 124.645 120.500 -0.043 0.000 2.561 641 R HA 0.731 5.063 4.340 -0.013 0.000 0.297 641 R C -1.506 174.747 176.300 -0.078 0.000 0.969 641 R CA -0.817 55.247 56.100 -0.061 0.000 0.879 641 R CB 2.339 32.607 30.300 -0.053 0.000 1.178 641 R HN 0.382 nan 8.270 nan 0.000 0.445 642 V N 5.088 124.948 119.914 -0.090 0.000 2.334 642 V HA 0.467 4.580 4.120 -0.013 0.000 0.281 642 V C -0.061 175.989 176.094 -0.073 0.000 1.016 642 V CA -0.611 61.637 62.300 -0.087 0.000 0.832 642 V CB 1.442 33.205 31.823 -0.099 0.000 0.999 642 V HN 0.577 nan 8.190 nan 0.000 0.439 643 I N 4.758 125.286 120.570 -0.070 0.000 2.465 643 I HA 0.458 4.620 4.170 -0.013 0.000 0.291 643 I C -0.821 175.283 176.117 -0.021 0.000 1.014 643 I CA -0.441 60.830 61.300 -0.048 0.000 1.093 643 I CB 2.129 40.077 38.000 -0.086 0.000 1.267 643 I HN 0.569 nan 8.210 nan 0.000 0.431 644 F N 7.499 127.381 119.950 -0.113 0.000 2.385 644 F HA 0.461 4.980 4.527 -0.012 0.000 0.360 644 F C -0.747 174.981 175.800 -0.120 0.000 1.122 644 F CA -0.767 57.166 58.000 -0.112 0.000 1.090 644 F CB 0.640 39.579 39.000 -0.102 0.000 1.150 644 F HN 0.130 nan 8.300 nan 0.000 0.472 645 L N 5.894 126.715 121.223 -0.669 0.000 2.385 645 L HA 0.148 4.480 4.340 -0.013 0.000 0.281 645 L C 0.365 176.934 176.870 -0.502 0.000 1.106 645 L CA 0.190 54.743 54.840 -0.477 0.000 0.856 645 L CB 0.027 41.884 42.059 -0.337 0.000 1.186 645 L HN 0.633 nan 8.230 nan 0.000 0.453 646 E N 3.018 123.048 120.200 -0.283 0.000 2.383 646 E HA -0.016 4.326 4.350 -0.013 0.000 0.264 646 E C 0.529 177.158 176.600 0.049 0.000 1.050 646 E CA -0.230 56.151 56.400 -0.032 0.000 0.896 646 E CB 0.323 30.002 29.700 -0.035 0.000 0.982 646 E HN 0.525 nan 8.360 nan 0.000 0.424 647 N N 2.365 121.170 118.700 0.175 0.000 2.705 647 N HA -0.290 4.443 4.740 -0.013 0.000 0.255 647 N C -1.523 174.081 175.510 0.156 0.000 1.008 647 N CA 0.523 53.682 53.050 0.182 0.000 0.742 647 N CB -1.314 37.303 38.487 0.217 0.000 0.906 647 N HN 0.428 nan 8.380 nan 0.000 0.541 648 Y N 1.481 121.779 120.300 -0.003 0.000 2.721 648 Y HA 0.159 4.701 4.550 -0.013 0.000 0.329 648 Y C 1.096 177.007 175.900 0.019 0.000 1.211 648 Y CA 0.391 58.475 58.100 -0.027 0.000 1.512 648 Y CB 0.298 38.709 38.460 -0.081 0.000 1.249 648 Y HN 0.376 nan 8.280 nan 0.000 0.549 649 R N 2.590 122.777 120.500 -0.522 0.000 2.781 649 R HA 0.480 4.813 4.340 -0.013 0.000 0.268 649 R C -0.164 175.794 176.300 -0.570 0.000 1.047 649 R CA -0.660 55.170 56.100 -0.450 0.000 0.925 649 R CB 0.393 30.626 30.300 -0.112 0.000 1.246 649 R HN 0.360 nan 8.270 nan 0.000 0.456 650 V N 1.106 120.712 119.914 -0.513 0.000 2.250 650 V HA -0.325 3.787 4.120 -0.013 0.000 0.250 650 V C 2.602 178.572 176.094 -0.207 0.000 1.060 650 V CA 2.981 65.056 62.300 -0.374 0.000 1.030 650 V CB -0.846 30.715 31.823 -0.436 0.000 0.643 650 V HN 0.963 nan 8.190 nan 0.000 0.445 651 S N -0.113 115.485 115.700 -0.171 0.000 2.399 651 S HA -0.184 4.278 4.470 -0.013 0.000 0.231 651 S C 1.917 176.475 174.600 -0.070 0.000 1.022 651 S CA 1.729 59.863 58.200 -0.110 0.000 0.983 651 S CB -0.504 62.661 63.200 -0.057 0.000 0.803 651 S HN 0.385 nan 8.310 nan 0.000 0.480 652 L N 1.956 123.142 121.223 -0.061 0.000 2.131 652 L HA 0.367 4.699 4.340 -0.013 0.000 0.206 652 L C 2.658 179.541 176.870 0.021 0.000 1.087 652 L CA 1.369 56.216 54.840 0.011 0.000 0.767 652 L CB -1.471 40.645 42.059 0.095 0.000 0.917 652 L HN 0.349 nan 8.230 nan 0.000 0.441 653 A N -0.610 122.202 122.820 -0.012 0.000 1.933 653 A HA -0.222 4.090 4.320 -0.013 0.000 0.218 653 A C 2.078 179.707 177.584 0.076 0.000 1.175 653 A CA 1.712 53.815 52.037 0.109 0.000 0.628 653 A CB -0.624 18.425 19.000 0.081 0.000 0.814 653 A HN 0.598 nan 8.150 nan 0.000 0.444 654 E N -0.487 119.746 120.200 0.056 0.000 2.401 654 E HA -0.153 4.189 4.350 -0.013 0.000 0.199 654 E C 1.701 178.265 176.600 -0.059 0.000 1.023 654 E CA 1.020 57.418 56.400 -0.004 0.000 0.859 654 E CB -0.038 29.573 29.700 -0.147 0.000 0.780 654 E HN 0.625 nan 8.360 nan 0.000 0.523 655 K N -0.190 120.155 120.400 -0.091 0.000 2.262 655 K HA -0.003 4.309 4.320 -0.013 0.000 0.200 655 K C 2.155 178.544 176.600 -0.351 0.000 1.058 655 K CA 0.723 56.935 56.287 -0.125 0.000 0.974 655 K CB 0.456 32.895 32.500 -0.102 0.000 0.910 655 K HN -0.013 nan 8.250 nan 0.000 0.484 656 V N 0.677 120.293 119.914 -0.496 0.000 2.407 656 V HA -0.141 3.971 4.120 -0.013 0.000 0.245 656 V C 2.177 177.996 176.094 -0.458 0.000 1.041 656 V CA 1.165 62.971 62.300 -0.824 0.000 1.040 656 V CB -0.753 30.717 31.823 -0.589 0.000 0.671 656 V HN 0.162 nan 8.190 nan 0.000 0.455 657 I N 1.007 121.348 120.570 -0.382 0.000 2.151 657 I HA -0.163 3.999 4.170 -0.013 0.000 0.243 657 I C -0.099 175.880 176.117 -0.231 0.000 1.080 657 I CA 1.925 62.928 61.300 -0.495 0.000 1.339 657 I CB -1.651 35.956 38.000 -0.654 0.000 1.039 657 I HN 0.366 nan 8.210 nan 0.000 0.409 658 P HA -0.091 nan 4.420 nan 0.000 0.225 658 P C 0.788 178.080 177.300 -0.013 0.000 1.148 658 P CA 1.187 64.255 63.100 -0.053 0.000 0.779 658 P CB 0.045 31.725 31.700 -0.033 0.000 0.780 659 A N -1.350 121.441 122.820 -0.047 0.000 2.387 659 A HA 0.555 4.867 4.320 -0.013 0.000 0.234 659 A C 1.023 178.723 177.584 0.194 0.000 1.253 659 A CA -0.065 52.012 52.037 0.068 0.000 0.894 659 A CB -0.509 18.537 19.000 0.077 0.000 0.963 659 A HN 0.180 nan 8.150 nan 0.000 0.508 660 A N -0.258 122.652 122.820 0.150 0.000 2.327 660 A HA 0.526 4.838 4.320 -0.013 0.000 0.283 660 A C 0.301 178.036 177.584 0.251 0.000 1.127 660 A CA -0.300 51.891 52.037 0.258 0.000 0.810 660 A CB 0.451 19.700 19.000 0.414 0.000 1.066 660 A HN 0.239 nan 8.150 nan 0.000 0.492 661 D N 0.592 121.135 120.400 0.238 0.000 2.369 661 D HA 0.119 4.751 4.640 -0.013 0.000 0.231 661 D C 0.086 176.565 176.300 0.299 0.000 0.967 661 D CA 0.785 54.953 54.000 0.279 0.000 0.905 661 D CB 0.243 41.118 40.800 0.125 0.000 1.044 661 D HN 0.372 nan 8.370 nan 0.000 0.487 662 L N 1.181 122.475 121.223 0.118 0.000 2.333 662 L HA 0.297 4.629 4.340 -0.013 0.000 0.280 662 L C -0.662 176.076 176.870 -0.219 0.000 1.004 662 L CA -0.306 54.529 54.840 -0.009 0.000 0.820 662 L CB 1.970 43.993 42.059 -0.061 0.000 1.247 662 L HN -0.133 nan 8.230 nan 0.000 0.416 663 S N 4.412 119.887 115.700 -0.375 0.000 2.442 663 S HA 0.371 4.834 4.470 -0.013 0.000 0.297 663 S C -0.499 173.803 174.600 -0.496 0.000 1.131 663 S CA -0.690 57.024 58.200 -0.809 0.000 1.092 663 S CB 0.983 63.584 63.200 -0.999 0.000 0.998 663 S HN 0.583 nan 8.310 nan 0.000 0.478 664 E N 3.926 123.848 120.200 -0.463 0.000 2.081 664 E HA 0.240 4.582 4.350 -0.013 0.000 0.281 664 E C -0.609 175.871 176.600 -0.200 0.000 0.986 664 E CA -0.492 55.768 56.400 -0.232 0.000 0.796 664 E CB 1.173 30.772 29.700 -0.169 0.000 1.085 664 E HN 0.615 nan 8.360 nan 0.000 0.398 665 Q N 2.864 122.600 119.800 -0.106 0.000 3.075 665 Q HA 0.256 4.588 4.340 -0.013 0.000 0.318 665 Q C 0.553 176.531 176.000 -0.037 0.000 0.907 665 Q CA -0.130 55.624 55.803 -0.082 0.000 0.882 665 Q CB 0.288 28.989 28.738 -0.062 0.000 1.386 665 Q HN 0.621 nan 8.270 nan 0.000 0.408 666 I N -1.302 119.239 120.570 -0.049 0.000 3.626 666 I HA 0.286 4.449 4.170 -0.013 0.000 0.345 666 I C 0.171 176.234 176.117 -0.090 0.000 1.502 666 I CA -0.560 60.719 61.300 -0.035 0.000 1.135 666 I CB 0.118 38.106 38.000 -0.019 0.000 1.456 666 I HN -0.026 nan 8.210 nan 0.000 0.460 667 S N 0.457 116.104 115.700 -0.088 0.000 2.592 667 S HA 0.290 4.752 4.470 -0.013 0.000 0.271 667 S C 0.510 175.091 174.600 -0.032 0.000 1.326 667 S CA -0.395 57.773 58.200 -0.054 0.000 1.024 667 S CB 0.843 64.057 63.200 0.024 0.000 0.921 667 S HN 0.415 nan 8.310 nan 0.000 0.527 668 T N 2.722 117.292 114.554 0.026 0.000 2.867 668 T HA 0.371 4.713 4.350 -0.013 0.000 0.297 668 T C 0.756 175.466 174.700 0.017 0.000 0.989 668 T CA 0.232 62.356 62.100 0.039 0.000 1.159 668 T CB -0.118 68.845 68.868 0.159 0.000 0.928 668 T HN 1.003 nan 8.240 nan 0.000 0.538 669 A N 2.978 125.777 122.820 -0.034 0.000 2.591 669 A HA 0.412 4.724 4.320 -0.013 0.000 0.244 669 A C 1.677 179.253 177.584 -0.014 0.000 1.031 669 A CA 0.396 52.408 52.037 -0.041 0.000 0.767 669 A CB -0.922 18.044 19.000 -0.057 0.000 0.942 669 A HN 1.715 nan 8.150 nan 0.000 0.514 670 G N 1.372 110.162 108.800 -0.018 0.000 2.194 670 G HA2 -0.249 3.703 3.960 -0.013 0.000 0.236 670 G HA3 -0.249 3.703 3.960 -0.013 0.000 0.236 670 G C 0.982 175.866 174.900 -0.026 0.000 0.987 670 G CA 1.108 46.199 45.100 -0.015 0.000 0.635 670 G HN 2.055 nan 8.290 nan 0.000 0.520 671 T N -2.246 112.288 114.554 -0.033 0.000 3.034 671 T HA 0.388 4.730 4.350 -0.013 0.000 0.248 671 T C 0.805 175.349 174.700 -0.260 0.000 1.040 671 T CA 1.171 63.183 62.100 -0.146 0.000 1.107 671 T CB 0.494 69.310 68.868 -0.087 0.000 0.932 671 T HN 0.285 nan 8.240 nan 0.000 0.474 672 E N 1.473 121.644 120.200 -0.049 0.000 2.001 672 E HA 0.661 5.003 4.350 -0.013 0.000 0.279 672 E C 1.226 177.777 176.600 -0.083 0.000 1.045 672 E CA 0.083 56.496 56.400 0.022 0.000 0.833 672 E CB 0.648 30.420 29.700 0.119 0.000 1.077 672 E HN 0.346 nan 8.360 nan 0.000 0.397 673 A N 3.443 126.142 122.820 -0.201 0.000 1.929 673 A HA -0.290 4.022 4.320 -0.013 0.000 0.221 673 A C 1.975 179.432 177.584 -0.210 0.000 1.211 673 A CA 2.576 54.369 52.037 -0.406 0.000 0.657 673 A CB -0.348 18.263 19.000 -0.649 0.000 0.827 673 A HN 0.639 nan 8.150 nan 0.000 0.462 674 S N -4.435 111.201 115.700 -0.106 0.000 4.428 674 S HA 0.448 4.910 4.470 -0.013 0.000 0.199 674 S C 0.696 175.279 174.600 -0.028 0.000 1.156 674 S CA 1.348 59.525 58.200 -0.037 0.000 1.134 674 S CB -0.195 63.004 63.200 -0.002 0.000 1.531 674 S HN 2.407 nan 8.310 nan 0.000 0.551 675 G N 0.173 108.962 108.800 -0.017 0.000 2.705 675 G HA2 0.038 3.990 3.960 -0.013 0.000 0.686 675 G HA3 0.038 3.990 3.960 -0.013 0.000 0.686 675 G C 0.210 175.084 174.900 -0.044 0.000 1.285 675 G CA 0.423 45.508 45.100 -0.023 0.000 0.800 675 G HN 1.460 nan 8.290 nan 0.000 0.611 676 T N -2.392 112.122 114.554 -0.067 0.000 3.074 676 T HA 0.374 4.716 4.350 -0.013 0.000 0.258 676 T C 2.276 176.868 174.700 -0.180 0.000 0.891 676 T CA 1.221 63.252 62.100 -0.115 0.000 0.867 676 T CB 0.299 69.097 68.868 -0.117 0.000 1.261 676 T HN 1.893 nan 8.240 nan 0.000 0.537 677 G N 3.120 111.845 108.800 -0.126 0.000 2.422 677 G HA2 -0.220 3.732 3.960 -0.013 0.000 0.218 677 G HA3 -0.220 3.732 3.960 -0.013 0.000 0.218 677 G C 1.435 176.377 174.900 0.070 0.000 1.146 677 G CA 1.112 46.155 45.100 -0.095 0.000 0.769 677 G HN 0.813 nan 8.290 nan 0.000 0.547 678 N N 0.248 118.968 118.700 0.034 0.000 2.104 678 N HA -0.153 4.579 4.740 -0.013 0.000 0.190 678 N C 2.211 177.720 175.510 -0.001 0.000 1.024 678 N CA 1.362 54.435 53.050 0.038 0.000 0.853 678 N CB -0.373 38.087 38.487 -0.046 0.000 1.008 678 N HN 0.340 nan 8.380 nan 0.000 0.424 679 M N 0.722 120.251 119.600 -0.119 0.000 2.175 679 M HA -0.020 4.452 4.480 -0.013 0.000 0.264 679 M C 2.054 178.304 176.300 -0.083 0.000 1.063 679 M CA 1.378 56.587 55.300 -0.150 0.000 1.119 679 M CB -0.112 32.390 32.600 -0.164 0.000 1.377 679 M HN 0.090 nan 8.290 nan 0.000 0.415 680 K N 0.225 120.514 120.400 -0.185 0.000 2.032 680 K HA -0.129 4.184 4.320 -0.013 0.000 0.209 680 K C 1.706 178.209 176.600 -0.162 0.000 1.048 680 K CA 1.535 57.649 56.287 -0.288 0.000 0.927 680 K CB -0.277 31.838 32.500 -0.641 0.000 0.712 680 K HN 0.149 nan 8.250 nan 0.000 0.441 681 F N 0.960 120.837 119.950 -0.123 0.000 2.134 681 F HA -0.159 4.360 4.527 -0.014 0.000 0.299 681 F C 2.558 178.329 175.800 -0.048 0.000 1.097 681 F CA 1.234 59.187 58.000 -0.080 0.000 1.264 681 F CB -0.297 38.644 39.000 -0.098 0.000 1.001 681 F HN 0.026 nan 8.300 nan 0.000 0.479 682 M N -0.312 119.375 119.600 0.145 0.000 2.108 682 M HA -0.205 4.267 4.480 -0.013 0.000 0.261 682 M C 2.063 178.420 176.300 0.095 0.000 1.066 682 M CA 1.660 57.016 55.300 0.094 0.000 1.107 682 M CB -0.260 32.393 32.600 0.089 0.000 1.356 682 M HN 0.278 nan 8.290 nan 0.000 0.406 683 L N 0.536 121.814 121.223 0.092 0.000 2.465 683 L HA -0.012 4.320 4.340 -0.013 0.000 0.224 683 L C 1.039 177.955 176.870 0.077 0.000 1.145 683 L CA 1.323 56.222 54.840 0.098 0.000 0.834 683 L CB -0.429 41.699 42.059 0.115 0.000 0.944 683 L HN 0.317 nan 8.230 nan 0.000 0.451 684 N N 0.123 118.860 118.700 0.062 0.000 2.273 684 N HA 0.192 4.924 4.740 -0.013 0.000 0.231 684 N C 0.719 176.266 175.510 0.061 0.000 1.134 684 N CA 0.729 53.808 53.050 0.048 0.000 0.856 684 N CB 0.577 39.069 38.487 0.009 0.000 1.068 684 N HN 0.358 nan 8.380 nan 0.000 0.510 685 G N 0.768 109.608 108.800 0.067 0.000 2.212 685 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.255 685 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.255 685 G C -0.076 174.893 174.900 0.114 0.000 1.062 685 G CA 0.273 45.415 45.100 0.070 0.000 0.815 685 G HN 0.525 nan 8.290 nan 0.000 0.497 686 A N -0.728 122.164 122.820 0.121 0.000 2.356 686 A HA 0.910 5.222 4.320 -0.013 0.000 0.323 686 A C -0.358 177.233 177.584 0.012 0.000 1.119 686 A CA -0.765 51.363 52.037 0.151 0.000 0.790 686 A CB 1.586 20.743 19.000 0.261 0.000 1.273 686 A HN 0.799 nan 8.150 nan 0.000 0.452 687 L N 0.711 121.913 121.223 -0.034 0.000 2.343 687 L HA 0.581 4.913 4.340 -0.013 0.000 0.275 687 L C 0.409 177.148 176.870 -0.218 0.000 1.056 687 L CA 0.386 55.104 54.840 -0.203 0.000 0.804 687 L CB 1.674 43.528 42.059 -0.342 0.000 1.203 687 L HN 0.738 nan 8.230 nan 0.000 0.440 688 T N 4.252 118.552 114.554 -0.423 0.000 2.771 688 T HA 0.509 4.851 4.350 -0.013 0.000 0.281 688 T C -0.211 174.352 174.700 -0.228 0.000 0.982 688 T CA -0.145 61.683 62.100 -0.453 0.000 0.978 688 T CB 0.776 69.183 68.868 -0.768 0.000 0.930 688 T HN 0.453 nan 8.240 nan 0.000 0.447 689 I N 3.052 123.582 120.570 -0.067 0.000 2.330 689 I HA 0.723 4.885 4.170 -0.013 0.000 0.289 689 I C 0.113 176.378 176.117 0.247 0.000 1.001 689 I CA 0.083 61.465 61.300 0.137 0.000 1.193 689 I CB 0.207 38.213 38.000 0.010 0.000 1.345 689 I HN 0.775 nan 8.210 nan 0.000 0.461 690 G N 4.041 113.055 108.800 0.356 0.000 2.606 690 G HA2 0.487 4.439 3.960 -0.013 0.000 0.300 690 G HA3 0.487 4.439 3.960 -0.013 0.000 0.300 690 G C -0.954 173.853 174.900 -0.156 0.000 1.360 690 G CA -0.255 44.961 45.100 0.194 0.000 0.783 690 G HN 0.582 nan 8.290 nan 0.000 0.484 691 T N -1.855 112.490 114.554 -0.348 0.000 2.912 691 T HA 0.549 4.891 4.350 -0.013 0.000 0.280 691 T C 0.590 175.170 174.700 -0.200 0.000 0.989 691 T CA -0.738 61.087 62.100 -0.458 0.000 0.995 691 T CB 1.321 69.914 68.868 -0.458 0.000 1.077 691 T HN 0.247 nan 8.240 nan 0.000 0.531 692 M N 2.868 122.363 119.600 -0.175 0.000 3.436 692 M HA 0.338 4.811 4.480 -0.013 0.000 0.240 692 M C -0.492 175.753 176.300 -0.092 0.000 1.469 692 M CA -0.073 55.160 55.300 -0.113 0.000 1.622 692 M CB -1.828 30.714 32.600 -0.096 0.000 1.098 692 M HN 0.723 nan 8.290 nan 0.000 0.568 693 D N -0.192 120.159 120.400 -0.082 0.000 2.601 693 D HA 0.684 5.317 4.640 -0.013 0.000 0.230 693 D C 0.792 177.067 176.300 -0.042 0.000 1.106 693 D CA 0.717 54.684 54.000 -0.056 0.000 0.873 693 D CB 1.751 42.518 40.800 -0.054 0.000 1.515 693 D HN 0.581 nan 8.370 nan 0.000 0.468 694 G N 1.702 110.486 108.800 -0.026 0.000 2.652 694 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.318 694 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.318 694 G C 0.990 175.881 174.900 -0.016 0.000 1.295 694 G CA 1.187 46.276 45.100 -0.018 0.000 0.999 694 G HN 1.038 nan 8.290 nan 0.000 0.548 695 A N -0.213 122.590 122.820 -0.029 0.000 2.208 695 A HA 0.187 4.499 4.320 -0.013 0.000 0.209 695 A C 2.056 179.577 177.584 -0.105 0.000 1.161 695 A CA 1.642 53.657 52.037 -0.036 0.000 0.782 695 A CB -0.377 18.583 19.000 -0.067 0.000 0.816 695 A HN 0.577 nan 8.150 nan 0.000 0.477 696 N N 0.516 119.160 118.700 -0.093 0.000 2.104 696 N HA -0.149 4.583 4.740 -0.013 0.000 0.190 696 N C 1.613 176.998 175.510 -0.208 0.000 1.024 696 N CA 1.590 54.579 53.050 -0.103 0.000 0.853 696 N CB -0.542 37.927 38.487 -0.029 0.000 1.008 696 N HN 0.271 nan 8.380 nan 0.000 0.424 697 V N 1.348 121.181 119.914 -0.135 0.000 2.287 697 V HA -0.225 3.888 4.120 -0.013 0.000 0.248 697 V C 1.947 177.968 176.094 -0.123 0.000 1.053 697 V CA 1.719 63.938 62.300 -0.136 0.000 1.027 697 V CB -0.513 31.265 31.823 -0.074 0.000 0.646 697 V HN 0.369 nan 8.190 nan 0.000 0.447 698 E N -0.604 119.582 120.200 -0.022 0.000 2.204 698 E HA -0.160 4.183 4.350 -0.013 0.000 0.194 698 E C 2.184 178.904 176.600 0.199 0.000 0.989 698 E CA 1.138 57.599 56.400 0.102 0.000 0.824 698 E CB -0.183 29.661 29.700 0.239 0.000 0.756 698 E HN 0.565 nan 8.360 nan 0.000 0.477 699 M N 0.368 119.993 119.600 0.042 0.000 2.123 699 M HA -0.091 4.381 4.480 -0.013 0.000 0.263 699 M C 2.509 178.617 176.300 -0.320 0.000 1.069 699 M CA 1.450 56.741 55.300 -0.016 0.000 1.133 699 M CB -0.148 32.318 32.600 -0.225 0.000 1.356 699 M HN 0.119 nan 8.290 nan 0.000 0.415 700 A N 0.054 122.358 122.820 -0.859 0.000 1.933 700 A HA -0.213 4.099 4.320 -0.013 0.000 0.218 700 A C 1.989 179.368 177.584 -0.343 0.000 1.175 700 A CA 1.940 53.398 52.037 -0.967 0.000 0.628 700 A CB -0.819 17.613 19.000 -0.946 0.000 0.814 700 A HN 0.602 nan 8.150 nan 0.000 0.444 701 E N -0.411 119.656 120.200 -0.221 0.000 2.150 701 E HA -0.195 4.147 4.350 -0.013 0.000 0.193 701 E C 1.630 178.196 176.600 -0.056 0.000 0.985 701 E CA 1.184 57.520 56.400 -0.107 0.000 0.814 701 E CB -0.051 29.606 29.700 -0.071 0.000 0.752 701 E HN 0.580 nan 8.360 nan 0.000 0.466 702 E N -0.192 119.999 120.200 -0.015 0.000 2.170 702 E HA -0.039 4.303 4.350 -0.013 0.000 0.191 702 E C 1.693 178.313 176.600 0.034 0.000 0.981 702 E CA 0.913 57.325 56.400 0.020 0.000 0.830 702 E CB 0.240 29.986 29.700 0.077 0.000 0.775 702 E HN 0.353 nan 8.360 nan 0.000 0.470 703 A N 0.492 123.341 122.820 0.047 0.000 2.147 703 A HA 0.397 4.709 4.320 -0.013 0.000 0.211 703 A C 0.993 178.597 177.584 0.033 0.000 1.160 703 A CA 0.925 53.008 52.037 0.076 0.000 0.781 703 A CB 0.268 19.377 19.000 0.182 0.000 0.842 703 A HN 0.205 nan 8.150 nan 0.000 0.475 704 G N -0.407 108.385 108.800 -0.013 0.000 3.067 704 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G HA3 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G C -0.078 174.806 174.900 -0.027 0.000 1.119 704 G CA -0.032 45.052 45.100 -0.027 0.000 0.790 704 G HN 0.233 nan 8.290 nan 0.000 0.605 705 E N 0.793 120.963 120.200 -0.051 0.000 2.331 705 E HA -0.126 4.217 4.350 -0.013 0.000 0.199 705 E C 2.022 178.606 176.600 -0.025 0.000 1.008 705 E CA 1.658 58.036 56.400 -0.037 0.000 0.843 705 E CB 0.092 29.765 29.700 -0.045 0.000 0.761 705 E HN 0.781 nan 8.360 nan 0.000 0.507 706 E N 0.606 120.779 120.200 -0.045 0.000 2.208 706 E HA -0.078 4.265 4.350 -0.013 0.000 0.193 706 E C 1.000 177.511 176.600 -0.147 0.000 0.988 706 E CA 0.656 57.007 56.400 -0.082 0.000 0.828 706 E CB 0.060 29.724 29.700 -0.060 0.000 0.763 706 E HN 0.155 nan 8.360 nan 0.000 0.478 707 N N -0.264 118.382 118.700 -0.090 0.000 2.276 707 N HA 0.133 4.865 4.740 -0.013 0.000 0.212 707 N C -0.926 174.514 175.510 -0.118 0.000 1.127 707 N CA 0.145 53.115 53.050 -0.132 0.000 0.834 707 N CB 0.388 38.853 38.487 -0.036 0.000 1.014 707 N HN 0.040 nan 8.380 nan 0.000 0.491 708 F N -0.428 119.315 119.950 -0.344 0.000 2.576 708 F HA 0.402 4.920 4.527 -0.014 0.000 0.313 708 F C -0.765 174.826 175.800 -0.348 0.000 1.078 708 F CA -1.083 56.756 58.000 -0.268 0.000 0.921 708 F CB 1.396 40.328 39.000 -0.114 0.000 1.232 708 F HN -0.219 nan 8.300 nan 0.000 0.459 709 F N 5.061 125.036 119.950 0.042 0.000 2.395 709 F HA 0.419 4.938 4.527 -0.013 0.000 0.347 709 F C -0.352 175.588 175.800 0.232 0.000 1.157 709 F CA -0.479 57.575 58.000 0.091 0.000 1.272 709 F CB -0.097 38.902 39.000 -0.003 0.000 1.607 709 F HN 0.047 nan 8.300 nan 0.000 0.571 710 I N 3.212 123.993 120.570 0.352 0.000 2.472 710 I HA 0.392 4.555 4.170 -0.013 0.000 0.290 710 I C -0.055 176.246 176.117 0.308 0.000 1.016 710 I CA -0.361 61.102 61.300 0.271 0.000 1.348 710 I CB 0.579 38.658 38.000 0.132 0.000 1.417 710 I HN 0.362 nan 8.210 nan 0.000 0.521 711 F N 2.670 122.689 119.950 0.116 0.000 2.789 711 F HA 0.896 5.415 4.527 -0.013 0.000 0.319 711 F C 0.146 175.991 175.800 0.074 0.000 1.168 711 F CA -0.554 57.505 58.000 0.099 0.000 0.934 711 F CB 0.600 39.674 39.000 0.124 0.000 1.375 711 F HN 0.865 nan 8.300 nan 0.000 0.480 712 G N 0.941 109.858 108.800 0.195 0.000 2.804 712 G HA2 -0.157 3.795 3.960 -0.013 0.000 0.230 712 G HA3 -0.157 3.795 3.960 -0.013 0.000 0.230 712 G C -0.710 174.176 174.900 -0.024 0.000 1.386 712 G CA -0.399 44.733 45.100 0.055 0.000 0.875 712 G HN 0.965 nan 8.290 nan 0.000 0.557 713 M N 0.668 120.262 119.600 -0.010 0.000 2.252 713 M HA 0.269 4.741 4.480 -0.013 0.000 0.333 713 M C 1.206 177.478 176.300 -0.048 0.000 1.111 713 M CA 0.139 55.435 55.300 -0.006 0.000 1.140 713 M CB 0.374 32.980 32.600 0.009 0.000 1.538 713 M HN 0.553 nan 8.290 nan 0.000 0.448 714 R N 1.377 121.861 120.500 -0.027 0.000 2.606 714 R HA 0.348 4.680 4.340 -0.013 0.000 0.249 714 R C 1.152 177.434 176.300 -0.028 0.000 1.127 714 R CA -0.681 55.396 56.100 -0.039 0.000 1.133 714 R CB -0.094 30.189 30.300 -0.027 0.000 1.243 714 R HN 0.563 nan 8.270 nan 0.000 0.558 715 V N 1.860 121.756 119.914 -0.031 0.000 2.282 715 V HA -0.274 3.838 4.120 -0.013 0.000 0.249 715 V C 2.191 178.276 176.094 -0.015 0.000 1.057 715 V CA 2.204 64.489 62.300 -0.025 0.000 1.032 715 V CB -0.503 31.303 31.823 -0.028 0.000 0.645 715 V HN 0.661 nan 8.190 nan 0.000 0.447 716 E N 0.174 120.366 120.200 -0.012 0.000 2.085 716 E HA -0.260 4.082 4.350 -0.013 0.000 0.194 716 E C 1.789 178.394 176.600 0.009 0.000 0.994 716 E CA 1.678 58.076 56.400 -0.003 0.000 0.801 716 E CB -0.833 28.865 29.700 -0.003 0.000 0.743 716 E HN 0.642 nan 8.360 nan 0.000 0.453 717 D N 1.131 121.539 120.400 0.013 0.000 2.144 717 D HA -0.094 4.539 4.640 -0.013 0.000 0.199 717 D C 2.228 178.548 176.300 0.034 0.000 0.984 717 D CA 1.143 55.162 54.000 0.032 0.000 0.834 717 D CB -0.007 40.816 40.800 0.038 0.000 0.955 717 D HN 0.070 nan 8.370 nan 0.000 0.465 718 V N 2.010 121.932 119.914 0.013 0.000 2.295 718 V HA -0.221 3.891 4.120 -0.013 0.000 0.246 718 V C 2.031 178.130 176.094 0.008 0.000 1.049 718 V CA 1.760 64.061 62.300 0.002 0.000 1.024 718 V CB -0.419 31.394 31.823 -0.017 0.000 0.648 718 V HN 0.049 nan 8.190 nan 0.000 0.447 719 D N -0.395 120.009 120.400 0.005 0.000 2.117 719 D HA -0.155 4.477 4.640 -0.013 0.000 0.197 719 D C 2.345 178.659 176.300 0.023 0.000 0.987 719 D CA 1.173 55.178 54.000 0.007 0.000 0.829 719 D CB -0.247 40.552 40.800 -0.000 0.000 0.961 719 D HN 0.311 nan 8.370 nan 0.000 0.460 720 R N 0.288 120.806 120.500 0.030 0.000 2.083 720 R HA -0.073 4.259 4.340 -0.013 0.000 0.237 720 R C 2.508 178.845 176.300 0.062 0.000 1.137 720 R CA 0.730 56.855 56.100 0.042 0.000 0.951 720 R CB -0.465 29.862 30.300 0.046 0.000 0.851 720 R HN 0.171 nan 8.270 nan 0.000 0.434 721 L N 0.571 121.842 121.223 0.080 0.000 2.079 721 L HA -0.245 4.088 4.340 -0.013 0.000 0.210 721 L C 1.494 178.433 176.870 0.117 0.000 1.081 721 L CA 1.479 56.394 54.840 0.124 0.000 0.752 721 L CB -0.326 41.825 42.059 0.154 0.000 0.896 721 L HN 0.314 nan 8.230 nan 0.000 0.433 722 D N -0.944 119.500 120.400 0.072 0.000 2.144 722 D HA -0.162 4.470 4.640 -0.013 0.000 0.200 722 D C 2.291 178.624 176.300 0.055 0.000 0.978 722 D CA 0.781 54.816 54.000 0.059 0.000 0.833 722 D CB 0.034 40.847 40.800 0.023 0.000 0.961 722 D HN 0.373 nan 8.370 nan 0.000 0.470 723 Q N 0.628 120.456 119.800 0.046 0.000 2.002 723 Q HA -0.131 4.202 4.340 -0.013 0.000 0.204 723 Q C 2.291 178.319 176.000 0.047 0.000 0.988 723 Q CA 0.907 56.733 55.803 0.038 0.000 0.843 723 Q CB -0.519 28.239 28.738 0.032 0.000 0.908 723 Q HN 0.302 nan 8.270 nan 0.000 0.420 724 R N 0.272 120.807 120.500 0.058 0.000 2.094 724 R HA -0.090 4.243 4.340 -0.013 0.000 0.239 724 R C 0.266 176.607 176.300 0.069 0.000 1.137 724 R CA 1.341 57.478 56.100 0.062 0.000 0.943 724 R CB -0.227 30.119 30.300 0.077 0.000 0.850 724 R HN 0.440 nan 8.270 nan 0.000 0.433 725 G N -0.753 108.105 108.800 0.097 0.000 3.226 725 G HA2 -0.217 3.736 3.960 -0.013 0.000 0.685 725 G HA3 -0.217 3.736 3.960 -0.013 0.000 0.685 725 G C -1.446 173.552 174.900 0.164 0.000 1.207 725 G CA -0.469 44.697 45.100 0.110 0.000 0.877 725 G HN 0.303 nan 8.290 nan 0.000 0.585 726 Y N 3.758 124.096 120.300 0.064 0.000 2.393 726 Y HA 0.599 5.142 4.550 -0.013 0.000 0.338 726 Y C 0.299 176.262 175.900 0.104 0.000 1.029 726 Y CA -0.832 57.326 58.100 0.096 0.000 1.239 726 Y CB 0.999 39.496 38.460 0.062 0.000 1.170 726 Y HN 0.580 nan 8.280 nan 0.000 0.515 727 N N 5.043 123.487 118.700 -0.425 0.000 2.531 727 N HA 0.288 5.020 4.740 -0.013 0.000 0.268 727 N C -0.053 175.199 175.510 -0.431 0.000 1.023 727 N CA 0.248 53.088 53.050 -0.350 0.000 0.896 727 N CB 1.696 40.108 38.487 -0.124 0.000 1.233 727 N HN 0.872 nan 8.380 nan 0.000 0.512 728 A N 3.035 125.563 122.820 -0.488 0.000 2.067 728 A HA -0.176 4.136 4.320 -0.013 0.000 0.219 728 A C 1.919 179.653 177.584 0.249 0.000 1.158 728 A CA 1.208 53.220 52.037 -0.042 0.000 0.661 728 A CB -0.233 18.718 19.000 -0.082 0.000 0.801 728 A HN 0.756 nan 8.150 nan 0.000 0.452 729 Q N 0.351 120.184 119.800 0.057 0.000 2.096 729 Q HA -0.230 4.102 4.340 -0.013 0.000 0.204 729 Q C 1.877 177.949 176.000 0.120 0.000 0.982 729 Q CA 2.287 58.134 55.803 0.072 0.000 0.850 729 Q CB -0.346 28.391 28.738 -0.002 0.000 0.901 729 Q HN 0.751 nan 8.270 nan 0.000 0.422 730 E N -1.215 118.995 120.200 0.016 0.000 2.048 730 E HA -0.268 4.075 4.350 -0.013 0.000 0.202 730 E C 1.786 178.318 176.600 -0.114 0.000 1.021 730 E CA 1.830 58.165 56.400 -0.109 0.000 0.825 730 E CB -0.304 29.222 29.700 -0.289 0.000 0.756 730 E HN 0.569 nan 8.360 nan 0.000 0.454 731 Y N -1.136 119.202 120.300 0.064 0.000 2.224 731 Y HA -0.254 4.289 4.550 -0.013 0.000 0.289 731 Y C 2.243 178.097 175.900 -0.077 0.000 1.146 731 Y CA 1.639 59.755 58.100 0.027 0.000 1.182 731 Y CB -0.644 37.877 38.460 0.103 0.000 0.983 731 Y HN 0.294 nan 8.280 nan 0.000 0.524 732 Y N 1.116 121.402 120.300 -0.023 0.000 2.181 732 Y HA -0.256 4.286 4.550 -0.013 0.000 0.288 732 Y C 1.937 177.780 175.900 -0.095 0.000 1.146 732 Y CA 1.764 59.776 58.100 -0.146 0.000 1.164 732 Y CB -0.360 38.069 38.460 -0.052 0.000 0.982 732 Y HN 0.066 nan 8.280 nan 0.000 0.515 733 D N -0.146 120.325 120.400 0.119 0.000 2.117 733 D HA -0.126 4.506 4.640 -0.013 0.000 0.198 733 D C 1.971 178.232 176.300 -0.065 0.000 0.982 733 D CA 1.344 55.364 54.000 0.034 0.000 0.828 733 D CB -0.124 40.713 40.800 0.063 0.000 0.967 733 D HN 0.480 nan 8.370 nan 0.000 0.464 734 R N 0.011 120.472 120.500 -0.065 0.000 2.276 734 R HA 0.191 4.523 4.340 -0.013 0.000 0.196 734 R C 0.439 176.703 176.300 -0.059 0.000 0.961 734 R CA 0.167 56.231 56.100 -0.061 0.000 1.024 734 R CB 0.587 30.852 30.300 -0.059 0.000 0.940 734 R HN 0.183 nan 8.270 nan 0.000 0.480 735 I N 2.406 122.919 120.570 -0.096 0.000 2.390 735 I HA 0.210 4.373 4.170 -0.013 0.000 0.283 735 I C -1.866 174.144 176.117 -0.180 0.000 1.016 735 I CA -2.450 58.800 61.300 -0.084 0.000 1.151 735 I CB 2.278 40.261 38.000 -0.029 0.000 1.293 735 I HN -0.260 nan 8.210 nan 0.000 0.458 736 P HA -0.146 nan 4.420 nan 0.000 0.216 736 P C 1.205 178.405 177.300 -0.166 0.000 1.153 736 P CA 1.277 64.277 63.100 -0.166 0.000 0.848 736 P CB 0.305 31.942 31.700 -0.105 0.000 0.787 737 E N -0.865 119.279 120.200 -0.094 0.000 2.110 737 E HA -0.176 4.167 4.350 -0.013 0.000 0.193 737 E C 1.862 178.377 176.600 -0.142 0.000 0.988 737 E CA 0.818 57.185 56.400 -0.056 0.000 0.804 737 E CB -0.609 29.128 29.700 0.063 0.000 0.745 737 E HN 0.110 nan 8.360 nan 0.000 0.458 738 L N 1.338 122.392 121.223 -0.283 0.000 2.056 738 L HA -0.136 4.196 4.340 -0.013 0.000 0.207 738 L C 2.362 178.961 176.870 -0.451 0.000 1.078 738 L CA 1.667 56.171 54.840 -0.560 0.000 0.749 738 L CB -0.422 41.153 42.059 -0.806 0.000 0.901 738 L HN -0.080 nan 8.230 nan 0.000 0.433 739 R N -0.812 119.385 120.500 -0.505 0.000 2.083 739 R HA -0.239 4.093 4.340 -0.013 0.000 0.237 739 R C 2.399 178.528 176.300 -0.286 0.000 1.137 739 R CA 1.979 57.687 56.100 -0.653 0.000 0.951 739 R CB -0.391 29.439 30.300 -0.783 0.000 0.851 739 R HN 0.618 nan 8.270 nan 0.000 0.434 740 Q N 0.419 120.090 119.800 -0.215 0.000 2.096 740 Q HA -0.193 4.139 4.340 -0.013 0.000 0.204 740 Q C 2.066 178.019 176.000 -0.078 0.000 0.982 740 Q CA 1.919 57.644 55.803 -0.129 0.000 0.850 740 Q CB -0.095 28.569 28.738 -0.123 0.000 0.901 740 Q HN 0.486 nan 8.270 nan 0.000 0.422 741 I N 0.069 120.597 120.570 -0.071 0.000 2.202 741 I HA -0.281 3.881 4.170 -0.013 0.000 0.242 741 I C 2.145 178.302 176.117 0.067 0.000 1.091 741 I CA 0.804 62.111 61.300 0.011 0.000 1.368 741 I CB -0.166 37.826 38.000 -0.013 0.000 1.058 741 I HN 0.221 nan 8.210 nan 0.000 0.410 742 I N 0.700 121.303 120.570 0.055 0.000 2.361 742 I HA -0.276 3.886 4.170 -0.013 0.000 0.251 742 I C 2.320 178.542 176.117 0.175 0.000 1.133 742 I CA 1.619 63.016 61.300 0.161 0.000 1.413 742 I CB -0.315 37.861 38.000 0.294 0.000 1.073 742 I HN 0.207 nan 8.210 nan 0.000 0.424 743 E N -0.476 119.806 120.200 0.136 0.000 2.285 743 E HA -0.179 4.163 4.350 -0.013 0.000 0.194 743 E C 2.054 178.720 176.600 0.109 0.000 0.997 743 E CA 0.422 56.897 56.400 0.124 0.000 0.845 743 E CB -0.024 29.728 29.700 0.088 0.000 0.782 743 E HN 0.583 nan 8.360 nan 0.000 0.491 744 Q N 0.529 120.387 119.800 0.097 0.000 2.083 744 Q HA -0.064 4.269 4.340 -0.013 0.000 0.198 744 Q C 2.265 178.446 176.000 0.302 0.000 0.969 744 Q CA 0.843 56.715 55.803 0.115 0.000 0.838 744 Q CB 0.124 28.876 28.738 0.024 0.000 0.900 744 Q HN 0.270 nan 8.270 nan 0.000 0.436 745 L N -0.316 121.099 121.223 0.321 0.000 2.017 745 L HA -0.183 4.149 4.340 -0.013 0.000 0.208 745 L C 2.415 179.469 176.870 0.307 0.000 1.073 745 L CA 0.965 56.011 54.840 0.344 0.000 0.745 745 L CB -0.421 41.762 42.059 0.207 0.000 0.894 745 L HN 0.134 nan 8.230 nan 0.000 0.432 746 S N -0.375 115.461 115.700 0.228 0.000 2.419 746 S HA -0.136 4.326 4.470 -0.013 0.000 0.233 746 S C 1.979 176.680 174.600 0.169 0.000 1.016 746 S CA 1.524 59.836 58.200 0.187 0.000 0.974 746 S CB -0.149 63.141 63.200 0.149 0.000 0.786 746 S HN 0.613 nan 8.310 nan 0.000 0.492 747 S N -0.341 115.464 115.700 0.174 0.000 2.556 747 S HA 0.423 4.885 4.470 -0.013 0.000 0.216 747 S C 1.293 175.988 174.600 0.158 0.000 0.970 747 S CA 0.568 58.855 58.200 0.146 0.000 0.912 747 S CB 0.403 63.677 63.200 0.123 0.000 0.790 747 S HN 0.688 nan 8.310 nan 0.000 0.504 748 G N 0.998 109.925 108.800 0.212 0.000 2.141 748 G HA2 -0.307 3.645 3.960 -0.013 0.000 0.231 748 G HA3 -0.307 3.645 3.960 -0.013 0.000 0.231 748 G C 0.238 175.233 174.900 0.157 0.000 0.984 748 G CA 0.108 45.322 45.100 0.189 0.000 0.660 748 G HN 0.565 nan 8.290 nan 0.000 0.525 749 F N 0.239 120.198 119.950 0.015 0.000 2.202 749 F HA 0.167 4.686 4.527 -0.013 0.000 0.301 749 F C 1.868 177.492 175.800 -0.293 0.000 1.082 749 F CA 2.050 59.945 58.000 -0.176 0.000 1.313 749 F CB -0.049 38.765 39.000 -0.309 0.000 1.024 749 F HN 0.162 nan 8.300 nan 0.000 0.495 750 F N -0.292 119.710 119.950 0.087 0.000 2.695 750 F HA 0.198 4.717 4.527 -0.013 0.000 0.303 750 F C 0.733 176.592 175.800 0.100 0.000 1.091 750 F CA 0.258 58.257 58.000 -0.002 0.000 1.300 750 F CB 0.011 39.041 39.000 0.051 0.000 1.071 750 F HN -0.034 nan 8.300 nan 0.000 0.578 751 S N -1.557 114.295 115.700 0.252 0.000 2.440 751 S HA 0.329 4.791 4.470 -0.013 0.000 0.142 751 S C -2.447 172.190 174.600 0.062 0.000 1.578 751 S CA -1.108 57.188 58.200 0.160 0.000 1.260 751 S CB 0.970 64.255 63.200 0.143 0.000 1.407 751 S HN -0.187 nan 8.310 nan 0.000 0.392 752 P HA -0.135 nan 4.420 nan 0.000 0.214 752 P C 1.239 178.542 177.300 0.004 0.000 1.163 752 P CA 1.465 64.559 63.100 -0.008 0.000 0.889 752 P CB 0.088 31.761 31.700 -0.044 0.000 0.790 753 K N -0.896 119.505 120.400 0.002 0.000 2.147 753 K HA -0.097 4.215 4.320 -0.013 0.000 0.205 753 K C 0.690 177.295 176.600 0.008 0.000 1.049 753 K CA 1.066 57.356 56.287 0.005 0.000 0.936 753 K CB -0.244 32.260 32.500 0.007 0.000 0.722 753 K HN 0.339 nan 8.250 nan 0.000 0.446 754 Q N -0.190 119.612 119.800 0.005 0.000 2.907 754 Q HA 0.157 4.489 4.340 -0.013 0.000 0.262 754 Q C -2.324 173.674 176.000 -0.003 0.000 0.997 754 Q CA -1.649 54.151 55.803 -0.005 0.000 0.797 754 Q CB 1.541 30.267 28.738 -0.020 0.000 1.228 754 Q HN -0.075 nan 8.270 nan 0.000 0.466 755 P HA -0.237 nan 4.420 nan 0.000 0.217 755 P C 0.647 177.989 177.300 0.070 0.000 1.148 755 P CA 1.428 64.564 63.100 0.060 0.000 0.828 755 P CB 0.214 31.948 31.700 0.057 0.000 0.783 756 D N -1.050 119.374 120.400 0.039 0.000 2.340 756 D HA -0.022 4.610 4.640 -0.013 0.000 0.217 756 D C 1.664 177.967 176.300 0.005 0.000 1.081 756 D CA -0.182 53.847 54.000 0.048 0.000 0.842 756 D CB -0.506 40.321 40.800 0.045 0.000 0.934 756 D HN 0.015 nan 8.370 nan 0.000 0.511 757 L N 0.202 121.366 121.223 -0.097 0.000 2.089 757 L HA -0.120 4.212 4.340 -0.013 0.000 0.213 757 L C 1.006 177.646 176.870 -0.384 0.000 1.079 757 L CA 1.694 56.351 54.840 -0.305 0.000 0.758 757 L CB -0.688 41.014 42.059 -0.594 0.000 0.891 757 L HN -0.010 nan 8.230 nan 0.000 0.433 758 F N -0.664 119.342 119.950 0.094 0.000 2.819 758 F HA 0.166 4.685 4.527 -0.013 0.000 0.294 758 F C 1.716 177.569 175.800 0.090 0.000 1.166 758 F CA -0.214 57.832 58.000 0.078 0.000 1.374 758 F CB -0.294 38.740 39.000 0.058 0.000 0.956 758 F HN 0.102 nan 8.300 nan 0.000 0.509 759 K N -0.793 119.725 120.400 0.196 0.000 2.148 759 K HA -0.126 4.186 4.320 -0.013 0.000 0.204 759 K C 0.962 177.668 176.600 0.177 0.000 1.050 759 K CA 1.661 58.049 56.287 0.169 0.000 0.942 759 K CB -0.148 32.428 32.500 0.125 0.000 0.724 759 K HN 0.047 nan 8.250 nan 0.000 0.446 760 D N 1.381 121.897 120.400 0.193 0.000 2.117 760 D HA -0.082 4.550 4.640 -0.013 0.000 0.198 760 D C 2.016 178.430 176.300 0.190 0.000 0.982 760 D CA 1.103 55.228 54.000 0.209 0.000 0.828 760 D CB -0.119 40.837 40.800 0.261 0.000 0.967 760 D HN 0.280 nan 8.370 nan 0.000 0.464 761 I N 0.489 121.170 120.570 0.184 0.000 2.142 761 I HA -0.226 3.936 4.170 -0.013 0.000 0.240 761 I C 2.464 178.639 176.117 0.096 0.000 1.078 761 I CA 0.648 62.026 61.300 0.130 0.000 1.343 761 I CB -0.239 37.835 38.000 0.123 0.000 1.046 761 I HN -0.120 nan 8.210 nan 0.000 0.405 762 V N 0.965 120.952 119.914 0.122 0.000 2.261 762 V HA -0.337 3.776 4.120 -0.013 0.000 0.246 762 V C 2.173 178.284 176.094 0.027 0.000 1.047 762 V CA 2.563 64.917 62.300 0.090 0.000 1.015 762 V CB -1.049 30.848 31.823 0.123 0.000 0.642 762 V HN 0.496 nan 8.190 nan 0.000 0.446 763 N N -0.373 118.377 118.700 0.084 0.000 2.036 763 N HA -0.275 4.457 4.740 -0.013 0.000 0.195 763 N C 2.008 177.503 175.510 -0.024 0.000 1.037 763 N CA 2.188 55.301 53.050 0.105 0.000 0.855 763 N CB -0.210 38.407 38.487 0.216 0.000 1.033 763 N HN 0.390 nan 8.380 nan 0.000 0.423 764 M N 0.148 119.794 119.600 0.077 0.000 2.065 764 M HA -0.167 4.305 4.480 -0.013 0.000 0.259 764 M C 1.670 177.904 176.300 -0.111 0.000 1.069 764 M CA 1.459 56.814 55.300 0.091 0.000 1.110 764 M CB -0.541 32.176 32.600 0.195 0.000 1.328 764 M HN 0.263 nan 8.290 nan 0.000 0.405 765 L N 0.889 122.028 121.223 -0.140 0.000 2.043 765 L HA -0.240 4.092 4.340 -0.013 0.000 0.212 765 L C 2.469 179.050 176.870 -0.482 0.000 1.075 765 L CA 1.794 56.434 54.840 -0.333 0.000 0.752 765 L CB -1.117 40.775 42.059 -0.278 0.000 0.891 765 L HN 0.414 nan 8.230 nan 0.000 0.432 766 M N -2.123 117.226 119.600 -0.417 0.000 2.334 766 M HA -0.053 4.419 4.480 -0.013 0.000 0.266 766 M C 1.759 177.610 176.300 -0.748 0.000 1.082 766 M CA 1.245 56.200 55.300 -0.574 0.000 1.141 766 M CB -0.709 31.433 32.600 -0.763 0.000 1.380 766 M HN 0.340 nan 8.290 nan 0.000 0.440 767 H N -1.780 117.073 119.070 -0.362 0.000 3.017 767 H HA 0.214 4.762 4.556 -0.013 0.000 0.255 767 H C 0.090 175.136 175.328 -0.470 0.000 0.990 767 H CA 0.570 56.337 56.048 -0.469 0.000 1.205 767 H CB 0.300 29.711 29.762 -0.585 0.000 1.460 767 H HN 0.546 nan 8.280 nan 0.000 0.478 768 H N -0.357 118.778 119.070 0.110 0.000 2.825 768 H HA 0.195 4.743 4.556 -0.013 0.000 0.226 768 H C -0.854 174.492 175.328 0.031 0.000 1.414 768 H CA -0.491 55.603 56.048 0.077 0.000 1.198 768 H CB 0.487 30.297 29.762 0.079 0.000 2.013 768 H HN -0.072 nan 8.280 nan 0.000 0.530 769 D N 1.484 121.919 120.400 0.057 0.000 2.393 769 D HA 0.096 4.729 4.640 -0.013 0.000 0.232 769 D C 0.948 177.164 176.300 -0.139 0.000 1.192 769 D CA -0.207 53.786 54.000 -0.011 0.000 0.882 769 D CB 0.598 41.364 40.800 -0.058 0.000 1.038 769 D HN 0.403 nan 8.370 nan 0.000 0.499 770 R N 2.274 122.601 120.500 -0.288 0.000 2.237 770 R HA -0.048 4.284 4.340 -0.013 0.000 0.219 770 R C 0.497 176.223 176.300 -0.957 0.000 1.080 770 R CA 0.816 56.512 56.100 -0.673 0.000 0.995 770 R CB 0.151 29.846 30.300 -1.009 0.000 0.875 770 R HN 0.391 nan 8.270 nan 0.000 0.462 771 F N 1.554 121.457 119.950 -0.078 0.000 2.772 771 F HA 0.206 4.725 4.527 -0.013 0.000 0.302 771 F C -0.038 175.629 175.800 -0.221 0.000 1.136 771 F CA -0.943 56.995 58.000 -0.104 0.000 1.322 771 F CB 0.094 39.097 39.000 0.005 0.000 0.967 771 F HN -0.196 nan 8.300 nan 0.000 0.513 772 K N -0.712 119.446 120.400 -0.403 0.000 4.489 772 K HA -0.206 4.106 4.320 -0.013 0.000 0.276 772 K C 0.756 177.221 176.600 -0.225 0.000 0.763 772 K CA 0.202 56.082 56.287 -0.680 0.000 0.735 772 K CB -1.670 30.219 32.500 -1.019 0.000 1.902 772 K HN 0.309 nan 8.250 nan 0.000 0.411 773 V N 1.111 120.962 119.914 -0.104 0.000 2.295 773 V HA -0.249 3.863 4.120 -0.013 0.000 0.246 773 V C 2.217 178.424 176.094 0.188 0.000 1.049 773 V CA 2.065 64.384 62.300 0.031 0.000 1.024 773 V CB -0.620 31.215 31.823 0.019 0.000 0.648 773 V HN 0.633 nan 8.190 nan 0.000 0.447 774 F N 0.468 120.419 119.950 0.002 0.000 2.161 774 F HA -0.253 4.266 4.527 -0.013 0.000 0.300 774 F C 2.562 178.164 175.800 -0.331 0.000 1.089 774 F CA 0.778 58.721 58.000 -0.094 0.000 1.282 774 F CB -0.461 38.486 39.000 -0.088 0.000 1.010 774 F HN 0.206 nan 8.300 nan 0.000 0.485 775 A N -0.482 122.182 122.820 -0.260 0.000 2.024 775 A HA -0.226 4.086 4.320 -0.013 0.000 0.220 775 A C 1.457 179.053 177.584 0.020 0.000 1.164 775 A CA 2.119 53.946 52.037 -0.350 0.000 0.643 775 A CB -0.498 18.441 19.000 -0.102 0.000 0.806 775 A HN 0.264 nan 8.150 nan 0.000 0.451 776 D N -3.142 117.326 120.400 0.113 0.000 2.398 776 D HA 0.110 4.743 4.640 -0.013 0.000 0.210 776 D C 1.160 177.633 176.300 0.289 0.000 1.094 776 D CA -0.089 54.049 54.000 0.229 0.000 0.839 776 D CB -0.146 40.796 40.800 0.237 0.000 0.963 776 D HN 0.572 nan 8.370 nan 0.000 0.506 777 Y N 2.089 122.479 120.300 0.150 0.000 2.053 777 Y HA -0.248 4.295 4.550 -0.012 0.000 0.277 777 Y C 2.097 178.088 175.900 0.152 0.000 1.159 777 Y CA 1.957 60.157 58.100 0.166 0.000 1.125 777 Y CB 0.168 38.701 38.460 0.123 0.000 0.969 777 Y HN -0.105 nan 8.280 nan 0.000 0.492 778 E N -0.001 120.300 120.200 0.168 0.000 2.049 778 E HA -0.295 4.048 4.350 -0.013 0.000 0.198 778 E C 2.184 178.765 176.600 -0.031 0.000 1.007 778 E CA 1.760 58.175 56.400 0.026 0.000 0.809 778 E CB -0.276 29.531 29.700 0.178 0.000 0.749 778 E HN 0.622 nan 8.360 nan 0.000 0.450 779 E N -0.513 119.742 120.200 0.091 0.000 2.268 779 E HA -0.185 4.157 4.350 -0.013 0.000 0.195 779 E C 1.749 178.345 176.600 -0.006 0.000 0.995 779 E CA 0.438 56.905 56.400 0.113 0.000 0.836 779 E CB 0.011 29.865 29.700 0.256 0.000 0.763 779 E HN 0.247 nan 8.360 nan 0.000 0.491 780 Y N 0.463 120.568 120.300 -0.325 0.000 2.176 780 Y HA -0.170 4.372 4.550 -0.013 0.000 0.291 780 Y C 2.174 177.693 175.900 -0.634 0.000 1.122 780 Y CA 1.442 59.053 58.100 -0.816 0.000 1.128 780 Y CB -0.624 37.411 38.460 -0.707 0.000 1.005 780 Y HN -0.034 nan 8.280 nan 0.000 0.509 781 V N -0.344 119.208 119.914 -0.602 0.000 2.515 781 V HA -0.161 3.951 4.120 -0.013 0.000 0.250 781 V C 2.176 178.049 176.094 -0.370 0.000 1.058 781 V CA 2.220 64.189 62.300 -0.551 0.000 1.064 781 V CB -0.627 30.948 31.823 -0.413 0.000 0.675 781 V HN 0.217 nan 8.190 nan 0.000 0.461 782 K N 0.064 120.304 120.400 -0.266 0.000 2.026 782 K HA -0.112 4.200 4.320 -0.013 0.000 0.208 782 K C 2.297 178.807 176.600 -0.151 0.000 1.048 782 K CA 2.032 58.231 56.287 -0.147 0.000 0.929 782 K CB -1.354 31.106 32.500 -0.066 0.000 0.713 782 K HN 0.667 nan 8.250 nan 0.000 0.439 783 C N 0.875 120.059 119.300 -0.192 0.000 2.425 783 C HA -0.079 4.373 4.460 -0.013 0.000 0.277 783 C C 2.430 177.250 174.990 -0.284 0.000 1.280 783 C CA 0.693 59.627 59.018 -0.141 0.000 1.744 783 C CB -0.712 26.962 27.740 -0.111 0.000 1.989 783 C HN 0.449 nan 8.230 nan 0.000 0.491 784 Q N 0.373 119.870 119.800 -0.506 0.000 2.170 784 Q HA -0.167 4.165 4.340 -0.013 0.000 0.203 784 Q C 1.975 177.788 176.000 -0.313 0.000 0.976 784 Q CA 1.580 57.043 55.803 -0.566 0.000 0.858 784 Q CB -0.362 27.834 28.738 -0.903 0.000 0.907 784 Q HN 0.756 nan 8.270 nan 0.000 0.433 785 E N 0.096 120.170 120.200 -0.210 0.000 2.150 785 E HA -0.126 4.216 4.350 -0.013 0.000 0.193 785 E C 2.033 178.602 176.600 -0.052 0.000 0.985 785 E CA 0.551 56.888 56.400 -0.106 0.000 0.814 785 E CB 0.080 29.735 29.700 -0.075 0.000 0.752 785 E HN 0.243 nan 8.360 nan 0.000 0.466 786 R N 0.347 120.827 120.500 -0.032 0.000 2.115 786 R HA -0.085 4.247 4.340 -0.013 0.000 0.226 786 R C 2.648 179.014 176.300 0.110 0.000 1.100 786 R CA 1.321 57.478 56.100 0.096 0.000 0.980 786 R CB -0.448 29.979 30.300 0.213 0.000 0.875 786 R HN 0.213 nan 8.270 nan 0.000 0.445 787 V N -1.373 118.419 119.914 -0.203 0.000 2.453 787 V HA -0.100 4.012 4.120 -0.013 0.000 0.247 787 V C 1.960 178.097 176.094 0.072 0.000 1.048 787 V CA 1.768 63.885 62.300 -0.305 0.000 1.049 787 V CB -0.089 31.236 31.823 -0.830 0.000 0.672 787 V HN 0.066 nan 8.190 nan 0.000 0.457 788 S N 0.931 116.608 115.700 -0.038 0.000 2.382 788 S HA -0.053 4.409 4.470 -0.013 0.000 0.228 788 S C 2.270 176.930 174.600 0.099 0.000 1.027 788 S CA 1.684 59.880 58.200 -0.007 0.000 0.991 788 S CB -0.655 62.511 63.200 -0.057 0.000 0.823 788 S HN 0.973 nan 8.310 nan 0.000 0.469 789 A N 1.457 124.344 122.820 0.112 0.000 1.858 789 A HA -0.022 4.291 4.320 -0.013 0.000 0.216 789 A C 2.076 179.780 177.584 0.200 0.000 1.190 789 A CA 1.168 53.288 52.037 0.140 0.000 0.617 789 A CB -0.815 18.262 19.000 0.127 0.000 0.827 789 A HN 0.464 nan 8.150 nan 0.000 0.443 790 L N -1.883 119.529 121.223 0.314 0.000 2.201 790 L HA -0.149 4.183 4.340 -0.013 0.000 0.212 790 L C 2.387 179.564 176.870 0.512 0.000 1.105 790 L CA 1.644 56.753 54.840 0.448 0.000 0.775 790 L CB -0.398 42.042 42.059 0.636 0.000 0.913 790 L HN 0.625 nan 8.230 nan 0.000 0.440 791 Y N 0.788 121.180 120.300 0.154 0.000 2.373 791 Y HA -0.221 4.322 4.550 -0.012 0.000 0.293 791 Y C 2.410 178.215 175.900 -0.159 0.000 1.129 791 Y CA 1.436 59.323 58.100 -0.356 0.000 1.226 791 Y CB -0.006 38.040 38.460 -0.690 0.000 1.000 791 Y HN 0.021 nan 8.280 nan 0.000 0.549 792 K N 0.124 120.534 120.400 0.016 0.000 2.442 792 K HA -0.123 4.189 4.320 -0.013 0.000 0.198 792 K C 0.284 176.856 176.600 -0.045 0.000 1.042 792 K CA 0.678 56.965 56.287 -0.000 0.000 0.958 792 K CB -0.100 32.454 32.500 0.090 0.000 0.766 792 K HN 0.048 nan 8.250 nan 0.000 0.474 793 N N 0.213 118.904 118.700 -0.015 0.000 2.976 793 N HA 0.142 4.874 4.740 -0.013 0.000 0.255 793 N C -2.453 173.058 175.510 0.002 0.000 1.312 793 N CA -2.230 50.825 53.050 0.007 0.000 0.897 793 N CB 1.071 39.600 38.487 0.070 0.000 1.184 793 N HN -0.194 nan 8.380 nan 0.000 0.497 794 P HA -0.235 nan 4.420 nan 0.000 0.219 794 P C 1.388 178.703 177.300 0.025 0.000 1.161 794 P CA 1.384 64.414 63.100 -0.117 0.000 0.909 794 P CB 0.321 31.927 31.700 -0.157 0.000 0.793 795 R N -0.432 120.081 120.500 0.021 0.000 2.105 795 R HA -0.164 4.168 4.340 -0.013 0.000 0.239 795 R C 1.921 178.266 176.300 0.075 0.000 1.135 795 R CA 1.363 57.488 56.100 0.043 0.000 0.967 795 R CB -0.245 30.071 30.300 0.026 0.000 0.861 795 R HN 0.139 nan 8.270 nan 0.000 0.442 796 E N -0.459 119.799 120.200 0.096 0.000 2.170 796 E HA -0.174 4.168 4.350 -0.013 0.000 0.191 796 E C 1.510 178.195 176.600 0.142 0.000 0.981 796 E CA 0.419 56.879 56.400 0.100 0.000 0.830 796 E CB -0.350 29.407 29.700 0.095 0.000 0.775 796 E HN 0.476 nan 8.360 nan 0.000 0.470 797 W N 2.191 123.495 121.300 0.005 0.000 2.354 797 W HA -0.182 4.470 4.660 -0.014 0.000 0.315 797 W C 1.569 178.104 176.519 0.026 0.000 1.206 797 W CA 2.110 59.476 57.345 0.035 0.000 1.290 797 W CB -0.393 29.064 29.460 -0.005 0.000 1.152 797 W HN 0.028 nan 8.180 nan 0.000 0.489 798 T N 1.168 115.878 114.554 0.261 0.000 2.803 798 T HA -0.189 4.153 4.350 -0.013 0.000 0.269 798 T C 1.820 176.546 174.700 0.044 0.000 1.052 798 T CA 1.621 63.802 62.100 0.135 0.000 1.136 798 T CB -0.302 68.623 68.868 0.096 0.000 0.864 798 T HN 0.191 nan 8.240 nan 0.000 0.467 799 R N 0.217 120.743 120.500 0.044 0.000 2.090 799 R HA 0.177 4.509 4.340 -0.013 0.000 0.228 799 R C 2.479 178.775 176.300 -0.007 0.000 1.110 799 R CA 0.944 57.065 56.100 0.035 0.000 0.973 799 R CB -0.285 30.040 30.300 0.040 0.000 0.869 799 R HN 0.360 nan 8.270 nan 0.000 0.440 800 M N 0.444 120.003 119.600 -0.068 0.000 2.229 800 M HA -0.126 4.346 4.480 -0.013 0.000 0.264 800 M C 1.884 178.099 176.300 -0.142 0.000 1.063 800 M CA 1.258 56.477 55.300 -0.135 0.000 1.114 800 M CB 0.225 32.674 32.600 -0.250 0.000 1.387 800 M HN -0.028 nan 8.290 nan 0.000 0.420 801 V N 0.795 120.616 119.914 -0.155 0.000 2.295 801 V HA -0.304 3.808 4.120 -0.013 0.000 0.246 801 V C 2.163 178.248 176.094 -0.016 0.000 1.049 801 V CA 1.983 64.222 62.300 -0.102 0.000 1.024 801 V CB -0.560 31.233 31.823 -0.050 0.000 0.648 801 V HN 0.499 nan 8.190 nan 0.000 0.447 802 I N -0.560 120.022 120.570 0.021 0.000 2.423 802 I HA -0.264 3.899 4.170 -0.013 0.000 0.254 802 I C 2.636 178.801 176.117 0.080 0.000 1.151 802 I CA 1.363 62.718 61.300 0.091 0.000 1.421 802 I CB -0.298 37.802 38.000 0.167 0.000 1.079 802 I HN 0.183 nan 8.210 nan 0.000 0.431 803 R N 0.755 121.279 120.500 0.039 0.000 2.115 803 R HA -0.042 4.290 4.340 -0.013 0.000 0.226 803 R C 2.035 178.367 176.300 0.054 0.000 1.100 803 R CA 1.053 57.176 56.100 0.038 0.000 0.980 803 R CB -0.159 30.146 30.300 0.009 0.000 0.875 803 R HN 0.415 nan 8.270 nan 0.000 0.445 804 N N -0.149 118.578 118.700 0.045 0.000 2.132 804 N HA -0.082 4.651 4.740 -0.013 0.000 0.187 804 N C 1.805 177.375 175.510 0.100 0.000 1.038 804 N CA 1.445 54.545 53.050 0.084 0.000 0.846 804 N CB -0.047 38.462 38.487 0.038 0.000 1.012 804 N HN 0.118 nan 8.380 nan 0.000 0.429 805 I N 1.861 122.478 120.570 0.077 0.000 2.118 805 I HA -0.282 3.880 4.170 -0.013 0.000 0.241 805 I C 2.387 178.553 176.117 0.081 0.000 1.070 805 I CA 1.255 62.605 61.300 0.082 0.000 1.327 805 I CB -0.361 37.681 38.000 0.069 0.000 1.034 805 I HN 0.104 nan 8.210 nan 0.000 0.405 806 A N -1.227 121.640 122.820 0.078 0.000 2.125 806 A HA -0.179 4.134 4.320 -0.013 0.000 0.219 806 A C 2.188 179.805 177.584 0.055 0.000 1.156 806 A CA 2.099 54.171 52.037 0.060 0.000 0.671 806 A CB -0.575 18.466 19.000 0.069 0.000 0.794 806 A HN 0.417 nan 8.150 nan 0.000 0.459 807 T N -1.100 113.501 114.554 0.078 0.000 3.132 807 T HA 0.136 4.478 4.350 -0.013 0.000 0.274 807 T C 1.492 176.267 174.700 0.125 0.000 1.011 807 T CA 0.699 62.846 62.100 0.079 0.000 0.899 807 T CB -0.394 68.522 68.868 0.079 0.000 1.089 807 T HN 0.609 nan 8.240 nan 0.000 0.543 808 S N -0.799 114.998 115.700 0.162 0.000 2.528 808 S HA 0.168 4.630 4.470 -0.013 0.000 0.219 808 S C 2.337 177.043 174.600 0.176 0.000 0.985 808 S CA 0.606 58.976 58.200 0.283 0.000 0.914 808 S CB -0.443 62.919 63.200 0.270 0.000 0.776 808 S HN 0.447 nan 8.310 nan 0.000 0.526 809 G N 2.996 111.837 108.800 0.068 0.000 2.597 809 G HA2 -0.380 3.572 3.960 -0.013 0.000 0.222 809 G HA3 -0.380 3.572 3.960 -0.013 0.000 0.222 809 G C 1.328 176.184 174.900 -0.073 0.000 1.135 809 G CA 1.308 46.420 45.100 0.020 0.000 0.759 809 G HN 0.580 nan 8.290 nan 0.000 0.595 810 K N -0.018 120.225 120.400 -0.261 0.000 2.360 810 K HA -0.034 4.278 4.320 -0.013 0.000 0.201 810 K C 1.170 177.462 176.600 -0.514 0.000 1.046 810 K CA 0.639 56.649 56.287 -0.462 0.000 0.940 810 K CB -0.268 31.807 32.500 -0.709 0.000 0.748 810 K HN 0.452 nan 8.250 nan 0.000 0.465 811 F N 0.995 120.974 119.950 0.050 0.000 2.663 811 F HA 0.095 4.614 4.527 -0.013 0.000 0.299 811 F C 0.834 176.679 175.800 0.074 0.000 1.143 811 F CA -0.630 57.405 58.000 0.059 0.000 1.387 811 F CB 0.435 39.467 39.000 0.054 0.000 1.019 811 F HN -0.113 nan 8.300 nan 0.000 0.523 812 S N -0.011 115.782 115.700 0.154 0.000 2.562 812 S HA 0.127 4.589 4.470 -0.013 0.000 0.275 812 S C 1.335 176.020 174.600 0.142 0.000 1.281 812 S CA -0.342 57.944 58.200 0.143 0.000 1.045 812 S CB 1.167 64.422 63.200 0.092 0.000 0.962 812 S HN 0.276 nan 8.310 nan 0.000 0.503 813 S N 2.950 118.754 115.700 0.174 0.000 2.507 813 S HA -0.071 4.391 4.470 -0.013 0.000 0.235 813 S C 0.871 175.520 174.600 0.080 0.000 0.988 813 S CA 0.665 58.982 58.200 0.195 0.000 0.944 813 S CB -0.401 62.978 63.200 0.299 0.000 0.762 813 S HN 0.795 nan 8.310 nan 0.000 0.526 814 D N 1.816 122.251 120.400 0.060 0.000 2.144 814 D HA -0.059 4.574 4.640 -0.013 0.000 0.200 814 D C 2.086 178.390 176.300 0.007 0.000 0.978 814 D CA 0.694 54.707 54.000 0.022 0.000 0.833 814 D CB -0.292 40.521 40.800 0.022 0.000 0.961 814 D HN 0.279 nan 8.370 nan 0.000 0.470 815 R N 0.752 121.261 120.500 0.016 0.000 2.066 815 R HA -0.087 4.245 4.340 -0.013 0.000 0.232 815 R C 1.864 178.161 176.300 -0.004 0.000 1.131 815 R CA 1.384 57.481 56.100 -0.004 0.000 0.955 815 R CB -0.673 29.615 30.300 -0.020 0.000 0.851 815 R HN 0.119 nan 8.270 nan 0.000 0.432 816 T N 2.187 116.761 114.554 0.034 0.000 2.652 816 T HA -0.127 4.216 4.350 -0.013 0.000 0.267 816 T C 1.928 176.645 174.700 0.027 0.000 1.039 816 T CA 1.380 63.523 62.100 0.072 0.000 1.153 816 T CB -0.138 68.841 68.868 0.185 0.000 0.863 816 T HN 0.101 nan 8.240 nan 0.000 0.428 817 I N 1.812 122.306 120.570 -0.127 0.000 2.286 817 I HA -0.093 4.070 4.170 -0.013 0.000 0.248 817 I C 2.911 178.985 176.117 -0.073 0.000 1.115 817 I CA 0.886 62.069 61.300 -0.194 0.000 1.392 817 I CB -1.706 36.184 38.000 -0.184 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N -0.024 122.772 122.820 -0.039 0.000 1.972 818 A HA -0.235 4.078 4.320 -0.013 0.000 0.219 818 A C 2.275 179.823 177.584 -0.059 0.000 1.169 818 A CA 1.442 53.464 52.037 -0.025 0.000 0.635 818 A CB -0.536 18.454 19.000 -0.017 0.000 0.810 818 A HN 0.508 nan 8.150 nan 0.000 0.446 819 Q N -1.988 117.761 119.800 -0.085 0.000 2.083 819 Q HA -0.137 4.195 4.340 -0.013 0.000 0.198 819 Q C 1.908 177.753 176.000 -0.257 0.000 0.969 819 Q CA 1.487 57.200 55.803 -0.150 0.000 0.838 819 Q CB -0.249 28.390 28.738 -0.166 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.522 120.545 120.300 -0.461 0.000 2.097 820 Y HA -0.302 4.240 4.550 -0.013 0.000 0.282 820 Y C 2.445 177.810 175.900 -0.892 0.000 1.152 820 Y CA 1.343 58.935 58.100 -0.845 0.000 1.136 820 Y CB -0.467 37.208 38.460 -1.309 0.000 0.975 820 Y HN 0.164 nan 8.280 nan 0.000 0.498 821 A N 0.482 123.082 122.820 -0.367 0.000 1.859 821 A HA -0.268 4.044 4.320 -0.013 0.000 0.217 821 A C 2.258 179.854 177.584 0.019 0.000 1.198 821 A CA 2.354 54.410 52.037 0.031 0.000 0.629 821 A CB -0.661 18.429 19.000 0.150 0.000 0.830 821 A HN 0.457 nan 8.150 nan 0.000 0.446 822 R N -0.610 119.867 120.500 -0.038 0.000 2.062 822 R HA -0.049 4.284 4.340 -0.013 0.000 0.229 822 R C 1.913 178.190 176.300 -0.038 0.000 1.128 822 R CA 1.476 57.565 56.100 -0.019 0.000 0.960 822 R CB -0.311 29.974 30.300 -0.026 0.000 0.855 822 R HN 0.670 nan 8.270 nan 0.000 0.432 823 E N -0.165 119.974 120.200 -0.103 0.000 2.442 823 E HA 0.061 4.404 4.350 -0.013 0.000 0.195 823 E C 1.459 178.005 176.600 -0.091 0.000 1.030 823 E CA 0.557 56.898 56.400 -0.099 0.000 0.869 823 E CB 0.427 30.041 29.700 -0.144 0.000 0.857 823 E HN 0.369 nan 8.360 nan 0.000 0.505 824 I N -1.561 118.925 120.570 -0.140 0.000 3.878 824 I HA 0.025 4.188 4.170 -0.013 0.000 0.273 824 I C 1.324 177.551 176.117 0.183 0.000 1.165 824 I CA -0.104 61.160 61.300 -0.058 0.000 1.360 824 I CB 0.114 37.932 38.000 -0.302 0.000 1.539 824 I HN 0.104 nan 8.210 nan 0.000 0.447 825 W N 1.843 123.232 121.300 0.150 0.000 2.518 825 W HA 0.279 4.931 4.660 -0.013 0.000 0.273 825 W C 1.556 178.113 176.519 0.064 0.000 1.247 825 W CA 1.047 58.463 57.345 0.117 0.000 1.288 825 W CB -0.997 28.519 29.460 0.093 0.000 1.107 825 W HN 0.351 nan 8.180 nan 0.000 0.586 826 G N 0.846 109.782 108.800 0.226 0.000 2.212 826 G HA2 -0.095 3.858 3.960 -0.013 0.000 0.255 826 G HA3 -0.095 3.858 3.960 -0.013 0.000 0.255 826 G C -0.333 174.642 174.900 0.126 0.000 1.062 826 G CA 0.156 45.336 45.100 0.133 0.000 0.815 826 G HN 0.422 nan 8.290 nan 0.000 0.497 827 V N -4.389 115.616 119.914 0.153 0.000 3.040 827 V HA 0.929 5.041 4.120 -0.013 0.000 0.312 827 V C -0.448 175.704 176.094 0.096 0.000 1.115 827 V CA -1.660 60.712 62.300 0.119 0.000 0.998 827 V CB 2.358 34.264 31.823 0.139 0.000 1.042 827 V HN 0.118 nan 8.190 nan 0.000 0.433 828 E N 3.420 123.661 120.200 0.068 0.000 2.134 828 E HA 0.528 4.870 4.350 -0.013 0.000 0.278 828 E C -2.516 174.116 176.600 0.055 0.000 0.959 828 E CA -1.768 54.665 56.400 0.054 0.000 0.783 828 E CB 1.863 31.587 29.700 0.041 0.000 1.095 828 E HN 0.749 nan 8.360 nan 0.000 0.399 829 P HA 0.057 nan 4.420 nan 0.000 0.270 829 P C -0.495 176.830 177.300 0.041 0.000 1.223 829 P CA -0.230 62.900 63.100 0.049 0.000 0.785 829 P CB 0.763 32.487 31.700 0.040 0.000 0.923 830 S N 0.760 116.485 115.700 0.041 0.000 2.603 830 S HA 0.315 4.778 4.470 -0.013 0.000 0.274 830 S C -0.033 174.588 174.600 0.034 0.000 1.168 830 S CA -0.879 57.344 58.200 0.038 0.000 0.963 830 S CB 1.088 64.314 63.200 0.044 0.000 1.078 830 S HN 0.298 nan 8.310 nan 0.000 0.477 831 R N 2.772 123.289 120.500 0.029 0.000 2.978 831 R HA 0.207 4.539 4.340 -0.013 0.000 0.298 831 R C -0.191 176.120 176.300 0.017 0.000 1.296 831 R CA -0.086 56.030 56.100 0.027 0.000 1.181 831 R CB 0.156 30.474 30.300 0.029 0.000 1.348 831 R HN 0.660 nan 8.270 nan 0.000 0.585 832 Q N 0.993 120.802 119.800 0.015 0.000 2.279 832 Q HA 0.193 4.525 4.340 -0.013 0.000 0.256 832 Q C -0.383 175.609 176.000 -0.014 0.000 0.937 832 Q CA -0.435 55.371 55.803 0.004 0.000 0.933 832 Q CB 1.335 30.080 28.738 0.012 0.000 1.189 832 Q HN -0.105 nan 8.270 nan 0.000 0.417 833 R N 1.758 122.244 120.500 -0.024 0.000 2.484 833 R HA 0.032 4.364 4.340 -0.013 0.000 0.293 833 R C -0.517 175.748 176.300 -0.058 0.000 1.023 833 R CA -0.125 55.950 56.100 -0.042 0.000 1.037 833 R CB 0.087 30.362 30.300 -0.042 0.000 0.951 833 R HN 0.415 nan 8.270 nan 0.000 0.418 834 L N 6.675 127.848 121.223 -0.082 0.000 2.439 834 L HA 0.201 4.534 4.340 -0.013 0.000 0.269 834 L C -1.664 175.149 176.870 -0.094 0.000 1.179 834 L CA -1.835 52.926 54.840 -0.131 0.000 0.828 834 L CB 0.499 42.456 42.059 -0.169 0.000 1.106 834 L HN 0.613 nan 8.230 nan 0.000 0.467 835 P HA 0.019 nan 4.420 nan 0.000 0.208 835 P C 0.031 177.309 177.300 -0.037 0.000 1.341 835 P CA 0.688 63.759 63.100 -0.049 0.000 1.235 835 P CB -0.681 31.000 31.700 -0.032 0.000 1.764 836 A N 4.647 127.446 122.820 -0.035 0.000 6.759 836 A HA -0.178 4.135 4.320 -0.013 0.000 0.308 836 A C -1.369 176.204 177.584 -0.017 0.000 2.086 836 A CA 0.517 52.540 52.037 -0.023 0.000 1.123 836 A CB -1.900 17.093 19.000 -0.012 0.000 1.078 836 A HN 0.372 nan 8.150 nan 0.000 0.457 837 P HA 0.184 nan 4.420 nan 0.000 0.244 837 P C 0.096 177.404 177.300 0.013 0.000 1.191 837 P CA 0.554 63.661 63.100 0.011 0.000 0.829 837 P CB -0.347 31.370 31.700 0.029 0.000 1.008 838 D N 1.845 122.251 120.400 0.010 0.000 6.363 838 D HA -0.192 4.440 4.640 -0.013 0.000 0.146 838 D C 1.456 177.760 176.300 0.008 0.000 1.113 838 D CA 0.776 54.782 54.000 0.009 0.000 0.737 838 D CB 0.180 40.984 40.800 0.006 0.000 1.417 838 D HN 0.093 nan 8.370 nan 0.000 0.812 839 E N 2.933 123.137 120.200 0.007 0.000 2.840 839 E HA -0.444 3.898 4.350 -0.013 0.000 0.222 839 E C 0.160 176.761 176.600 0.003 0.000 0.868 839 E CA 2.766 59.167 56.400 0.002 0.000 1.266 839 E CB -0.244 29.455 29.700 -0.001 0.000 1.318 839 E HN 0.892 nan 8.360 nan 0.000 0.486 840 K N -0.571 119.830 120.400 0.002 0.000 7.454 840 K HA -0.164 4.149 4.320 -0.013 0.000 0.649 840 K C -0.651 175.949 176.600 -0.000 0.000 2.590 840 K CA 1.233 57.522 56.287 0.003 0.000 1.946 840 K CB -0.667 31.837 32.500 0.007 0.000 2.011 840 K HN 0.327 nan 8.250 nan 0.000 0.289 841 I N 3.475 124.044 120.570 -0.002 0.000 2.642 841 I HA 0.311 4.473 4.170 -0.013 0.000 0.273 841 I C -1.965 174.150 176.117 -0.004 0.000 1.208 841 I CA -1.610 59.687 61.300 -0.006 0.000 1.037 841 I CB 0.418 38.412 38.000 -0.010 0.000 1.253 841 I HN 0.938 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.705 31.700 0.008 0.000 0.726