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 1ftq_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 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N 0.111 115.804 115.700 -0.012 0.000 2.630 14 S HA 0.211 4.674 4.470 -0.013 0.000 0.274 14 S C -1.251 173.351 174.600 0.003 0.000 0.915 14 S CA -0.074 58.127 58.200 0.001 0.000 1.079 14 S CB 0.526 63.726 63.200 0.001 0.000 1.360 14 S HN 0.336 nan 8.310 nan 0.000 0.455 15 V N 2.747 122.669 119.914 0.014 0.000 2.525 15 V HA 0.458 4.571 4.120 -0.013 0.000 0.326 15 V C 0.992 177.093 176.094 0.012 0.000 1.477 15 V CA -0.319 61.990 62.300 0.015 0.000 1.579 15 V CB -0.645 31.195 31.823 0.028 0.000 1.489 15 V HN 0.611 nan 8.190 nan 0.000 0.541 16 R N 2.074 122.575 120.500 0.001 0.000 2.555 16 R HA 0.482 4.815 4.340 -0.013 0.000 0.272 16 R C 1.041 177.332 176.300 -0.014 0.000 1.089 16 R CA 0.523 56.621 56.100 -0.004 0.000 1.126 16 R CB 0.283 30.577 30.300 -0.010 0.000 1.250 16 R HN 0.823 nan 8.270 nan 0.000 0.551 17 G N 0.731 109.522 108.800 -0.014 0.000 2.660 17 G HA2 -0.213 3.740 3.960 -0.013 0.000 0.247 17 G HA3 -0.213 3.740 3.960 -0.013 0.000 0.247 17 G C -1.090 173.795 174.900 -0.024 0.000 1.328 17 G CA -1.046 44.038 45.100 -0.026 0.000 0.884 17 G HN 0.042 nan 8.290 nan 0.000 0.531 18 L N 0.604 121.811 121.223 -0.028 0.000 2.334 18 L HA 0.712 5.044 4.340 -0.013 0.000 0.277 18 L C 1.276 178.132 176.870 -0.024 0.000 1.075 18 L CA 0.137 54.963 54.840 -0.023 0.000 0.804 18 L CB 1.171 43.218 42.059 -0.020 0.000 1.174 18 L HN 1.538 nan 8.230 nan 0.000 0.438 19 A N 2.734 125.541 122.820 -0.021 0.000 3.175 19 A HA 0.561 4.873 4.320 -0.013 0.000 0.289 19 A C 0.816 178.394 177.584 -0.010 0.000 1.429 19 A CA -0.282 51.744 52.037 -0.018 0.000 1.155 19 A CB -0.730 18.256 19.000 -0.023 0.000 1.169 19 A HN 0.787 nan 8.150 nan 0.000 0.574 20 G N -0.300 108.495 108.800 -0.009 0.000 2.562 20 G HA2 0.288 4.240 3.960 -0.013 0.000 0.233 20 G HA3 0.288 4.240 3.960 -0.013 0.000 0.233 20 G C 1.023 175.926 174.900 0.005 0.000 1.266 20 G CA 0.094 45.193 45.100 -0.001 0.000 0.852 20 G HN 0.422 nan 8.290 nan 0.000 0.581 21 V N 1.812 121.730 119.914 0.008 0.000 2.261 21 V HA -0.152 3.960 4.120 -0.013 0.000 0.246 21 V C 2.694 178.798 176.094 0.018 0.000 1.047 21 V CA 2.365 64.672 62.300 0.012 0.000 1.015 21 V CB -0.733 31.096 31.823 0.010 0.000 0.642 21 V HN 0.758 nan 8.190 nan 0.000 0.446 22 E N 0.350 120.561 120.200 0.019 0.000 2.110 22 E HA -0.183 4.160 4.350 -0.013 0.000 0.193 22 E C 2.048 178.670 176.600 0.036 0.000 0.988 22 E CA 1.506 57.921 56.400 0.026 0.000 0.804 22 E CB -0.301 29.413 29.700 0.024 0.000 0.745 22 E HN 0.639 nan 8.360 nan 0.000 0.458 23 N N -1.251 117.470 118.700 0.034 0.000 2.300 23 N HA -0.070 4.662 4.740 -0.013 0.000 0.179 23 N C 1.376 176.913 175.510 0.046 0.000 1.016 23 N CA 0.461 53.539 53.050 0.046 0.000 0.876 23 N CB 0.318 38.822 38.487 0.028 0.000 0.979 23 N HN -0.046 nan 8.380 nan 0.000 0.432 24 V N -0.033 119.899 119.914 0.031 0.000 2.453 24 V HA -0.170 3.942 4.120 -0.013 0.000 0.247 24 V C 1.910 178.028 176.094 0.041 0.000 1.048 24 V CA 1.630 63.947 62.300 0.030 0.000 1.049 24 V CB -0.612 31.223 31.823 0.020 0.000 0.672 24 V HN 0.394 nan 8.190 nan 0.000 0.457 25 T N -0.430 114.149 114.554 0.041 0.000 2.777 25 T HA -0.196 4.147 4.350 -0.013 0.000 0.266 25 T C 1.902 176.639 174.700 0.062 0.000 1.040 25 T CA 1.692 63.818 62.100 0.043 0.000 1.141 25 T CB -0.148 68.741 68.868 0.035 0.000 0.868 25 T HN 0.496 nan 8.240 nan 0.000 0.444 26 E N 0.824 121.068 120.200 0.072 0.000 2.077 26 E HA -0.096 4.246 4.350 -0.013 0.000 0.193 26 E C 1.936 178.617 176.600 0.134 0.000 0.989 26 E CA 0.794 57.251 56.400 0.095 0.000 0.800 26 E CB -0.505 29.258 29.700 0.105 0.000 0.746 26 E HN 0.155 nan 8.360 nan 0.000 0.452 27 L N 0.967 122.276 121.223 0.144 0.000 1.989 27 L HA -0.148 4.184 4.340 -0.013 0.000 0.211 27 L C 2.184 179.168 176.870 0.192 0.000 1.071 27 L CA 1.889 56.840 54.840 0.185 0.000 0.749 27 L CB -0.872 41.263 42.059 0.126 0.000 0.890 27 L HN 0.104 nan 8.230 nan 0.000 0.431 28 K N -0.181 120.293 120.400 0.123 0.000 2.044 28 K HA -0.229 4.083 4.320 -0.013 0.000 0.210 28 K C 1.945 178.654 176.600 0.183 0.000 1.049 28 K CA 2.002 58.359 56.287 0.116 0.000 0.927 28 K CB -0.113 32.413 32.500 0.044 0.000 0.713 28 K HN 0.437 nan 8.250 nan 0.000 0.443 29 K N 0.091 120.575 120.400 0.140 0.000 2.155 29 K HA -0.023 4.289 4.320 -0.013 0.000 0.203 29 K C 1.594 178.284 176.600 0.150 0.000 1.052 29 K CA 1.177 57.542 56.287 0.129 0.000 0.948 29 K CB -0.086 32.463 32.500 0.081 0.000 0.728 29 K HN 0.059 nan 8.250 nan 0.000 0.448 30 N N 0.580 119.384 118.700 0.174 0.000 2.270 30 N HA -0.086 4.647 4.740 -0.013 0.000 0.181 30 N C 1.546 177.226 175.510 0.283 0.000 1.016 30 N CA 0.831 53.982 53.050 0.169 0.000 0.870 30 N CB -0.143 38.459 38.487 0.191 0.000 0.979 30 N HN 0.184 nan 8.380 nan 0.000 0.431 31 F N 2.610 122.671 119.950 0.184 0.000 2.134 31 F HA -0.070 4.450 4.527 -0.012 0.000 0.299 31 F C 2.015 177.930 175.800 0.192 0.000 1.097 31 F CA 1.239 59.363 58.000 0.206 0.000 1.264 31 F CB -0.132 38.955 39.000 0.145 0.000 1.001 31 F HN -0.045 nan 8.300 nan 0.000 0.479 32 N N 0.405 119.315 118.700 0.349 0.000 2.188 32 N HA -0.149 4.584 4.740 -0.013 0.000 0.184 32 N C 2.100 177.689 175.510 0.132 0.000 1.018 32 N CA 0.749 53.931 53.050 0.221 0.000 0.858 32 N CB -0.485 38.120 38.487 0.196 0.000 0.989 32 N HN 0.312 nan 8.380 nan 0.000 0.426 33 R N 0.662 121.238 120.500 0.127 0.000 2.094 33 R HA -0.133 4.199 4.340 -0.013 0.000 0.239 33 R C 1.829 178.210 176.300 0.135 0.000 1.137 33 R CA 1.596 57.796 56.100 0.166 0.000 0.943 33 R CB -0.497 29.790 30.300 -0.021 0.000 0.850 33 R HN 0.458 nan 8.270 nan 0.000 0.433 34 H N -0.282 118.832 119.070 0.074 0.000 2.353 34 H HA -0.147 4.401 4.556 -0.013 0.000 0.300 34 H C 1.875 177.138 175.328 -0.107 0.000 1.090 34 H CA 1.472 57.494 56.048 -0.043 0.000 1.327 34 H CB -0.036 29.659 29.762 -0.111 0.000 1.383 34 H HN 0.093 nan 8.280 nan 0.000 0.508 35 L N -0.038 121.170 121.223 -0.024 0.000 2.083 35 L HA -0.185 4.148 4.340 -0.013 0.000 0.209 35 L C 2.141 178.995 176.870 -0.027 0.000 1.083 35 L CA 1.837 56.631 54.840 -0.076 0.000 0.752 35 L CB -0.439 41.577 42.059 -0.072 0.000 0.899 35 L HN 0.292 nan 8.230 nan 0.000 0.433 36 H N -1.673 117.317 119.070 -0.134 0.000 2.273 36 H HA -0.028 4.521 4.556 -0.013 0.000 0.311 36 H C 1.830 176.946 175.328 -0.354 0.000 1.057 36 H CA 2.169 58.042 56.048 -0.292 0.000 1.360 36 H CB -0.363 29.132 29.762 -0.445 0.000 1.414 36 H HN 0.263 nan 8.280 nan 0.000 0.516 37 F N -0.238 119.693 119.950 -0.031 0.000 2.259 37 F HA -0.064 4.456 4.527 -0.013 0.000 0.298 37 F C 2.532 178.252 175.800 -0.134 0.000 1.088 37 F CA 1.522 59.453 58.000 -0.116 0.000 1.358 37 F CB -0.378 38.581 39.000 -0.069 0.000 1.040 37 F HN 0.206 nan 8.300 nan 0.000 0.505 38 T N -0.733 113.844 114.554 0.039 0.000 2.983 38 T HA 0.050 4.393 4.350 -0.013 0.000 0.250 38 T C 1.655 176.262 174.700 -0.156 0.000 1.037 38 T CA 0.553 62.607 62.100 -0.077 0.000 1.142 38 T CB -0.107 68.675 68.868 -0.144 0.000 0.876 38 T HN -0.046 nan 8.240 nan 0.000 0.455 39 L N 1.075 122.210 121.223 -0.147 0.000 2.477 39 L HA 0.296 4.629 4.340 -0.013 0.000 0.220 39 L C 0.644 177.422 176.870 -0.155 0.000 1.106 39 L CA 0.310 55.054 54.840 -0.160 0.000 0.851 39 L CB -0.559 41.417 42.059 -0.138 0.000 0.994 39 L HN 0.036 nan 8.230 nan 0.000 0.462 40 V N 0.208 120.015 119.914 -0.179 0.000 5.949 40 V HA -0.301 3.811 4.120 -0.013 0.000 0.287 40 V C 0.502 176.490 176.094 -0.176 0.000 0.603 40 V CA 0.854 63.020 62.300 -0.223 0.000 0.608 40 V CB -2.096 29.618 31.823 -0.182 0.000 0.259 40 V HN 0.386 nan 8.190 nan 0.000 0.742 41 K N 1.302 121.612 120.400 -0.151 0.000 2.466 41 K HA 0.703 5.015 4.320 -0.013 0.000 0.260 41 K C -0.643 175.935 176.600 -0.036 0.000 1.011 41 K CA -0.557 55.673 56.287 -0.094 0.000 0.871 41 K CB 2.762 35.204 32.500 -0.097 0.000 1.404 41 K HN 0.597 nan 8.250 nan 0.000 0.450 42 D N 0.255 120.652 120.400 -0.005 0.000 2.738 42 D HA 0.268 4.900 4.640 -0.013 0.000 0.237 42 D C 0.554 176.888 176.300 0.056 0.000 1.123 42 D CA -0.593 53.435 54.000 0.047 0.000 0.856 42 D CB 1.565 42.390 40.800 0.040 0.000 1.552 42 D HN 0.189 nan 8.370 nan 0.000 0.480 43 R N 1.206 121.768 120.500 0.104 0.000 2.198 43 R HA -0.173 4.160 4.340 -0.013 0.000 0.258 43 R C 1.100 177.474 176.300 0.123 0.000 1.173 43 R CA 1.113 57.310 56.100 0.162 0.000 0.991 43 R CB -0.755 29.643 30.300 0.163 0.000 0.879 43 R HN 0.604 nan 8.270 nan 0.000 0.460 44 N N 0.531 119.273 118.700 0.071 0.000 2.515 44 N HA -0.061 4.671 4.740 -0.013 0.000 0.185 44 N C 1.254 176.784 175.510 0.035 0.000 1.109 44 N CA 1.256 54.337 53.050 0.053 0.000 0.903 44 N CB 0.444 38.953 38.487 0.036 0.000 0.969 44 N HN 0.203 nan 8.380 nan 0.000 0.450 45 V N -3.090 116.833 119.914 0.015 0.000 3.398 45 V HA 0.447 4.559 4.120 -0.013 0.000 0.298 45 V C 0.695 176.760 176.094 -0.048 0.000 1.496 45 V CA -0.616 61.679 62.300 -0.008 0.000 1.044 45 V CB -0.115 31.698 31.823 -0.017 0.000 0.880 45 V HN 0.017 nan 8.190 nan 0.000 0.443 46 A N 2.125 124.895 122.820 -0.084 0.000 2.440 46 A HA 0.614 4.926 4.320 -0.013 0.000 0.251 46 A C 0.704 178.104 177.584 -0.307 0.000 1.089 46 A CA 0.824 52.695 52.037 -0.276 0.000 0.779 46 A CB 0.014 18.730 19.000 -0.473 0.000 1.022 46 A HN 0.750 nan 8.150 nan 0.000 0.492 47 T N 0.018 114.393 114.554 -0.297 0.000 2.949 47 T HA 0.601 4.943 4.350 -0.013 0.000 0.287 47 T C -2.159 172.469 174.700 -0.119 0.000 1.034 47 T CA -1.817 60.209 62.100 -0.124 0.000 1.018 47 T CB 1.301 70.153 68.868 -0.027 0.000 1.135 47 T HN 0.231 nan 8.240 nan 0.000 0.532 48 P HA -0.103 nan 4.420 nan 0.000 0.217 48 P C 1.552 178.975 177.300 0.205 0.000 1.148 48 P CA 1.001 64.252 63.100 0.252 0.000 0.828 48 P CB 0.042 31.851 31.700 0.182 0.000 0.783 49 R N -0.101 120.472 120.500 0.121 0.000 2.115 49 R HA -0.128 4.205 4.340 -0.013 0.000 0.230 49 R C 1.633 178.126 176.300 0.323 0.000 1.111 49 R CA 1.663 57.879 56.100 0.194 0.000 0.976 49 R CB -0.574 29.791 30.300 0.109 0.000 0.870 49 R HN 0.112 nan 8.270 nan 0.000 0.445 50 D N -0.404 120.059 120.400 0.105 0.000 2.117 50 D HA -0.170 4.462 4.640 -0.013 0.000 0.198 50 D C 1.671 178.010 176.300 0.065 0.000 0.982 50 D CA 1.208 55.229 54.000 0.035 0.000 0.828 50 D CB -0.316 40.356 40.800 -0.213 0.000 0.967 50 D HN 0.274 nan 8.370 nan 0.000 0.464 51 Y N 0.321 120.743 120.300 0.204 0.000 2.207 51 Y HA -0.224 4.318 4.550 -0.012 0.000 0.287 51 Y C 2.343 178.397 175.900 0.256 0.000 1.156 51 Y CA 0.355 58.625 58.100 0.284 0.000 1.182 51 Y CB -1.126 37.554 38.460 0.366 0.000 0.979 51 Y HN 0.110 nan 8.280 nan 0.000 0.521 52 Y N -0.695 119.766 120.300 0.267 0.000 2.181 52 Y HA -0.250 4.292 4.550 -0.013 0.000 0.288 52 Y C 1.931 177.818 175.900 -0.020 0.000 1.146 52 Y CA 1.189 59.342 58.100 0.088 0.000 1.164 52 Y CB -1.100 37.304 38.460 -0.092 0.000 0.982 52 Y HN 0.044 nan 8.280 nan 0.000 0.515 53 F N 0.187 119.907 119.950 -0.384 0.000 2.186 53 F HA -0.088 4.432 4.527 -0.012 0.000 0.299 53 F C 2.635 178.266 175.800 -0.282 0.000 1.090 53 F CA 1.210 58.935 58.000 -0.458 0.000 1.307 53 F CB -0.752 38.172 39.000 -0.126 0.000 1.019 53 F HN 0.196 nan 8.300 nan 0.000 0.489 54 A N -0.076 122.688 122.820 -0.094 0.000 1.877 54 A HA -0.194 4.118 4.320 -0.013 0.000 0.216 54 A C 2.063 179.529 177.584 -0.197 0.000 1.186 54 A CA 1.627 53.483 52.037 -0.301 0.000 0.620 54 A CB -1.060 17.395 19.000 -0.909 0.000 0.822 54 A HN 0.334 nan 8.150 nan 0.000 0.443 55 L N -0.164 121.059 121.223 0.000 0.000 1.994 55 L HA -0.064 4.268 4.340 -0.013 0.000 0.208 55 L C 2.733 179.594 176.870 -0.016 0.000 1.071 55 L CA 2.287 57.255 54.840 0.212 0.000 0.745 55 L CB -1.032 41.213 42.059 0.310 0.000 0.892 55 L HN 0.362 nan 8.230 nan 0.000 0.431 56 A N -1.287 121.350 122.820 -0.304 0.000 1.917 56 A HA -0.317 3.995 4.320 -0.013 0.000 0.219 56 A C 2.173 179.420 177.584 -0.562 0.000 1.182 56 A CA 2.219 53.967 52.037 -0.481 0.000 0.633 56 A CB -1.160 17.229 19.000 -1.018 0.000 0.819 56 A HN 0.705 nan 8.150 nan 0.000 0.448 57 H N -1.013 117.752 119.070 -0.509 0.000 2.423 57 H HA -0.037 4.512 4.556 -0.013 0.000 0.297 57 H C 2.328 177.373 175.328 -0.473 0.000 1.075 57 H CA 1.878 57.553 56.048 -0.623 0.000 1.342 57 H CB -0.046 29.124 29.762 -0.987 0.000 1.395 57 H HN 0.490 nan 8.280 nan 0.000 0.530 58 T N -0.443 114.040 114.554 -0.119 0.000 2.777 58 T HA -0.117 4.226 4.350 -0.013 0.000 0.266 58 T C 2.241 177.106 174.700 0.275 0.000 1.040 58 T CA 1.251 63.466 62.100 0.192 0.000 1.141 58 T CB -0.346 68.712 68.868 0.317 0.000 0.868 58 T HN 0.093 nan 8.240 nan 0.000 0.444 59 V N 1.741 121.790 119.914 0.225 0.000 2.358 59 V HA -0.115 3.997 4.120 -0.013 0.000 0.246 59 V C 2.637 178.922 176.094 0.318 0.000 1.047 59 V CA 1.533 64.014 62.300 0.301 0.000 1.035 59 V CB -0.638 31.359 31.823 0.290 0.000 0.658 59 V HN 0.381 nan 8.190 nan 0.000 0.452 60 R N 0.182 120.813 120.500 0.220 0.000 2.127 60 R HA -0.215 4.118 4.340 -0.013 0.000 0.238 60 R C 1.875 178.281 176.300 0.175 0.000 1.134 60 R CA 1.941 58.171 56.100 0.217 0.000 0.975 60 R CB -0.408 29.848 30.300 -0.074 0.000 0.865 60 R HN 0.462 nan 8.270 nan 0.000 0.447 61 D N -0.020 120.464 120.400 0.140 0.000 2.149 61 D HA -0.157 4.475 4.640 -0.013 0.000 0.198 61 D C 1.676 177.989 176.300 0.021 0.000 0.990 61 D CA 1.096 55.143 54.000 0.079 0.000 0.839 61 D CB -0.346 40.481 40.800 0.044 0.000 0.948 61 D HN 0.446 nan 8.370 nan 0.000 0.460 62 H N -0.242 118.896 119.070 0.113 0.000 2.521 62 H HA -0.003 4.546 4.556 -0.012 0.000 0.286 62 H C 1.945 177.317 175.328 0.075 0.000 1.034 62 H CA 0.653 56.752 56.048 0.085 0.000 1.278 62 H CB 0.355 30.159 29.762 0.070 0.000 1.386 62 H HN 0.270 nan 8.280 nan 0.000 0.567 63 L N -1.311 120.023 121.223 0.185 0.000 2.693 63 L HA 0.164 4.496 4.340 -0.013 0.000 0.235 63 L C 1.945 178.924 176.870 0.183 0.000 1.127 63 L CA -0.001 54.917 54.840 0.129 0.000 0.914 63 L CB -0.037 42.053 42.059 0.050 0.000 1.193 63 L HN -0.119 nan 8.230 nan 0.000 0.502 64 V N -2.031 118.013 119.914 0.217 0.000 2.379 64 V HA 0.068 4.181 4.120 -0.013 0.000 0.245 64 V C 2.529 178.748 176.094 0.209 0.000 1.044 64 V CA 1.585 64.064 62.300 0.299 0.000 1.036 64 V CB -1.755 30.202 31.823 0.222 0.000 0.664 64 V HN 0.358 nan 8.190 nan 0.000 0.453 65 G N 0.223 109.098 108.800 0.125 0.000 2.440 65 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.218 65 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.218 65 G C 1.813 176.764 174.900 0.086 0.000 1.154 65 G CA 1.048 46.196 45.100 0.079 0.000 0.767 65 G HN 0.504 nan 8.290 nan 0.000 0.552 66 R N -1.533 119.027 120.500 0.100 0.000 2.090 66 R HA -0.032 4.300 4.340 -0.013 0.000 0.228 66 R C 2.244 178.626 176.300 0.137 0.000 1.110 66 R CA 0.878 57.022 56.100 0.074 0.000 0.973 66 R CB -0.323 30.002 30.300 0.041 0.000 0.869 66 R HN 0.472 nan 8.270 nan 0.000 0.440 67 W N 1.520 122.803 121.300 -0.029 0.000 2.335 67 W HA -0.110 4.543 4.660 -0.012 0.000 0.311 67 W C 1.641 178.134 176.519 -0.044 0.000 1.213 67 W CA 1.050 58.375 57.345 -0.034 0.000 1.274 67 W CB -0.598 28.862 29.460 0.000 0.000 1.148 67 W HN -0.015 nan 8.180 nan 0.000 0.498 68 I N 0.861 121.501 120.570 0.116 0.000 2.252 68 I HA -0.334 3.829 4.170 -0.013 0.000 0.245 68 I C 2.598 178.705 176.117 -0.017 0.000 1.102 68 I CA 1.787 63.066 61.300 -0.035 0.000 1.385 68 I CB -0.462 37.520 38.000 -0.030 0.000 1.064 68 I HN -0.037 nan 8.210 nan 0.000 0.414 69 R N -0.157 120.348 120.500 0.008 0.000 2.148 69 R HA -0.032 4.301 4.340 -0.013 0.000 0.223 69 R C 1.992 178.263 176.300 -0.049 0.000 1.088 69 R CA 1.443 57.540 56.100 -0.004 0.000 0.985 69 R CB -1.108 29.190 30.300 -0.002 0.000 0.880 69 R HN 0.233 nan 8.270 nan 0.000 0.451 70 T N 1.493 115.989 114.554 -0.096 0.000 2.737 70 T HA -0.090 4.252 4.350 -0.013 0.000 0.265 70 T C 1.833 176.265 174.700 -0.446 0.000 1.038 70 T CA 1.119 63.038 62.100 -0.301 0.000 1.144 70 T CB -0.068 68.659 68.868 -0.235 0.000 0.866 70 T HN 0.172 nan 8.240 nan 0.000 0.434 71 Q N 0.831 120.524 119.800 -0.177 0.000 2.079 71 Q HA -0.064 4.268 4.340 -0.013 0.000 0.200 71 Q C 2.379 178.401 176.000 0.037 0.000 0.974 71 Q CA 1.291 57.062 55.803 -0.054 0.000 0.840 71 Q CB -0.552 28.173 28.738 -0.021 0.000 0.898 71 Q HN 0.465 nan 8.270 nan 0.000 0.430 72 Q N 0.124 119.938 119.800 0.023 0.000 2.084 72 Q HA -0.182 4.150 4.340 -0.013 0.000 0.202 72 Q C 1.886 177.988 176.000 0.170 0.000 0.978 72 Q CA 2.012 57.875 55.803 0.100 0.000 0.844 72 Q CB -0.464 28.309 28.738 0.058 0.000 0.898 72 Q HN 0.566 nan 8.270 nan 0.000 0.426 73 H N -0.951 118.110 119.070 -0.015 0.000 2.289 73 H HA -0.198 4.351 4.556 -0.012 0.000 0.296 73 H C 1.237 176.648 175.328 0.137 0.000 1.091 73 H CA 2.444 58.493 56.048 0.002 0.000 1.274 73 H CB -0.337 29.355 29.762 -0.117 0.000 1.364 73 H HN 0.357 nan 8.280 nan 0.000 0.490 74 Y N -0.999 119.415 120.300 0.189 0.000 2.315 74 Y HA -0.210 4.333 4.550 -0.013 0.000 0.288 74 Y C 2.395 178.356 175.900 0.102 0.000 1.154 74 Y CA 1.043 59.217 58.100 0.122 0.000 1.229 74 Y CB -1.249 37.316 38.460 0.174 0.000 0.980 74 Y HN 0.416 nan 8.280 nan 0.000 0.540 75 Y N 1.050 121.454 120.300 0.173 0.000 2.263 75 Y HA -0.127 4.416 4.550 -0.013 0.000 0.292 75 Y C 2.047 177.970 175.900 0.038 0.000 1.130 75 Y CA 1.460 59.620 58.100 0.100 0.000 1.179 75 Y CB -0.062 38.441 38.460 0.072 0.000 0.998 75 Y HN 0.025 nan 8.280 nan 0.000 0.532 76 E N 0.370 120.518 120.200 -0.086 0.000 2.008 76 E HA -0.150 4.192 4.350 -0.013 0.000 0.191 76 E C 1.987 178.460 176.600 -0.211 0.000 0.986 76 E CA 1.138 57.419 56.400 -0.197 0.000 0.807 76 E CB -0.218 29.422 29.700 -0.098 0.000 0.766 76 E HN 0.339 nan 8.360 nan 0.000 0.450 77 K N 0.849 121.120 120.400 -0.216 0.000 2.148 77 K HA -0.107 4.206 4.320 -0.013 0.000 0.204 77 K C 0.235 176.783 176.600 -0.086 0.000 1.050 77 K CA 0.703 56.888 56.287 -0.170 0.000 0.942 77 K CB -0.530 31.824 32.500 -0.242 0.000 0.724 77 K HN 0.137 nan 8.250 nan 0.000 0.446 78 D N 0.363 120.732 120.400 -0.051 0.000 2.828 78 D HA -0.100 4.532 4.640 -0.013 0.000 0.241 78 D C -2.377 173.933 176.300 0.017 0.000 1.142 78 D CA 0.097 54.094 54.000 -0.006 0.000 0.755 78 D CB -0.235 40.539 40.800 -0.042 0.000 1.014 78 D HN 0.163 nan 8.370 nan 0.000 0.420 79 P HA 0.172 nan 4.420 nan 0.000 0.282 79 P C -0.279 177.003 177.300 -0.030 0.000 1.287 79 P CA -0.717 62.375 63.100 -0.013 0.000 0.792 79 P CB 0.597 32.274 31.700 -0.037 0.000 1.163 80 K N 0.897 121.276 120.400 -0.034 0.000 2.412 80 K HA 0.080 4.392 4.320 -0.013 0.000 0.281 80 K C -0.171 176.351 176.600 -0.130 0.000 1.027 80 K CA -0.063 56.192 56.287 -0.054 0.000 0.989 80 K CB 0.215 32.696 32.500 -0.031 0.000 0.935 80 K HN 0.219 nan 8.250 nan 0.000 0.475 81 R N 3.734 124.137 120.500 -0.162 0.000 2.368 81 R HA 0.350 4.682 4.340 -0.013 0.000 0.302 81 R C -0.530 175.496 176.300 -0.456 0.000 1.002 81 R CA -0.453 55.473 56.100 -0.290 0.000 0.929 81 R CB 0.842 30.973 30.300 -0.282 0.000 1.073 81 R HN 0.523 nan 8.270 nan 0.000 0.464 82 I N 4.271 124.531 120.570 -0.518 0.000 2.339 82 I HA 0.233 4.395 4.170 -0.013 0.000 0.290 82 I C -0.671 175.155 176.117 -0.486 0.000 0.994 82 I CA -0.728 60.218 61.300 -0.590 0.000 1.191 82 I CB 0.918 38.461 38.000 -0.763 0.000 1.343 82 I HN 0.525 nan 8.210 nan 0.000 0.458 83 Y N 5.655 125.914 120.300 -0.068 0.000 2.402 83 Y HA 0.280 4.823 4.550 -0.012 0.000 0.332 83 Y C -0.276 175.720 175.900 0.161 0.000 0.960 83 Y CA -0.768 57.415 58.100 0.138 0.000 1.228 83 Y CB 1.092 39.583 38.460 0.050 0.000 1.120 83 Y HN 0.403 nan 8.280 nan 0.000 0.491 84 Y N 4.603 125.086 120.300 0.306 0.000 2.595 84 Y HA 0.435 4.978 4.550 -0.012 0.000 0.347 84 Y C -1.047 175.119 175.900 0.442 0.000 1.025 84 Y CA -0.903 57.385 58.100 0.313 0.000 1.295 84 Y CB 0.142 38.792 38.460 0.316 0.000 1.147 84 Y HN 0.511 nan 8.280 nan 0.000 0.515 85 L N 4.891 126.181 121.223 0.112 0.000 2.281 85 L HA 0.412 4.745 4.340 -0.013 0.000 0.285 85 L C -0.074 176.816 176.870 0.033 0.000 1.074 85 L CA 0.269 55.219 54.840 0.183 0.000 0.817 85 L CB 1.110 43.238 42.059 0.115 0.000 1.168 85 L HN 0.568 nan 8.230 nan 0.000 0.434 86 S N 2.741 118.545 115.700 0.173 0.000 2.536 86 S HA 0.486 4.948 4.470 -0.013 0.000 0.271 86 S C 0.110 174.802 174.600 0.153 0.000 1.134 86 S CA -0.569 57.631 58.200 -0.001 0.000 0.897 86 S CB 1.024 63.995 63.200 -0.382 0.000 1.094 86 S HN 0.459 nan 8.310 nan 0.000 0.473 87 L N 2.723 124.073 121.223 0.212 0.000 2.591 87 L HA 0.490 4.822 4.340 -0.013 0.000 0.228 87 L C 0.376 177.430 176.870 0.307 0.000 1.133 87 L CA 0.912 55.935 54.840 0.305 0.000 0.880 87 L CB -0.141 42.097 42.059 0.298 0.000 1.033 87 L HN 0.678 nan 8.230 nan 0.000 0.450 88 E N -1.350 118.908 120.200 0.098 0.000 2.308 88 E HA 0.408 4.750 4.350 -0.013 0.000 0.275 88 E C -1.443 175.047 176.600 -0.184 0.000 0.890 88 E CA -0.426 56.015 56.400 0.069 0.000 0.754 88 E CB 1.820 31.540 29.700 0.033 0.000 1.207 88 E HN -0.155 nan 8.360 nan 0.000 0.426 89 F N 2.432 122.482 119.950 0.166 0.000 2.902 89 F HA 0.177 4.697 4.527 -0.013 0.000 0.368 89 F C -0.897 174.985 175.800 0.136 0.000 1.202 89 F CA -0.671 57.421 58.000 0.152 0.000 1.109 89 F CB 0.918 40.003 39.000 0.142 0.000 1.418 89 F HN 0.486 nan 8.300 nan 0.000 0.527 90 Y N 5.191 125.570 120.300 0.132 0.000 2.667 90 Y HA 0.178 4.721 4.550 -0.012 0.000 0.340 90 Y C 1.191 177.112 175.900 0.034 0.000 1.303 90 Y CA -0.962 57.165 58.100 0.044 0.000 1.769 90 Y CB 0.177 38.645 38.460 0.014 0.000 1.804 90 Y HN 0.527 nan 8.280 nan 0.000 0.451 91 M N 0.892 120.625 119.600 0.223 0.000 2.175 91 M HA 0.071 4.543 4.480 -0.013 0.000 0.264 91 M C 1.548 177.823 176.300 -0.043 0.000 1.063 91 M CA 1.203 56.539 55.300 0.061 0.000 1.119 91 M CB -1.333 31.280 32.600 0.021 0.000 1.377 91 M HN 0.608 nan 8.290 nan 0.000 0.415 92 G N 0.887 109.672 108.800 -0.023 0.000 2.642 92 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.231 92 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.231 92 G C -0.517 174.334 174.900 -0.083 0.000 1.338 92 G CA -0.368 44.676 45.100 -0.093 0.000 0.883 92 G HN 0.460 nan 8.290 nan 0.000 0.570 93 R N -0.575 119.861 120.500 -0.106 0.000 2.641 93 R HA 0.510 4.843 4.340 -0.013 0.000 0.269 93 R C 1.625 177.809 176.300 -0.193 0.000 1.074 93 R CA 0.595 56.641 56.100 -0.090 0.000 1.133 93 R CB 0.637 30.887 30.300 -0.083 0.000 1.029 93 R HN 0.908 nan 8.270 nan 0.000 0.488 94 T N 0.070 114.454 114.554 -0.284 0.000 3.043 94 T HA 0.048 4.390 4.350 -0.013 0.000 0.272 94 T C 1.170 175.465 174.700 -0.674 0.000 0.990 94 T CA -0.273 61.480 62.100 -0.578 0.000 0.897 94 T CB 0.187 68.493 68.868 -0.936 0.000 1.111 94 T HN 0.344 nan 8.240 nan 0.000 0.529 95 L N 1.772 122.829 121.223 -0.276 0.000 1.988 95 L HA 0.168 4.500 4.340 -0.013 0.000 0.207 95 L C 2.631 179.453 176.870 -0.079 0.000 1.071 95 L CA 2.222 57.043 54.840 -0.032 0.000 0.744 95 L CB -0.916 41.338 42.059 0.325 0.000 0.893 95 L HN 0.383 nan 8.230 nan 0.000 0.433 96 Q N -0.602 119.158 119.800 -0.067 0.000 2.050 96 Q HA -0.270 4.062 4.340 -0.013 0.000 0.202 96 Q C 2.232 178.159 176.000 -0.121 0.000 0.980 96 Q CA 2.013 57.772 55.803 -0.073 0.000 0.840 96 Q CB -0.380 28.313 28.738 -0.075 0.000 0.898 96 Q HN 0.695 nan 8.270 nan 0.000 0.424 97 N N -1.032 117.556 118.700 -0.185 0.000 2.137 97 N HA -0.158 4.575 4.740 -0.013 0.000 0.190 97 N C 1.340 176.745 175.510 -0.175 0.000 1.017 97 N CA 1.857 54.788 53.050 -0.198 0.000 0.859 97 N CB 0.021 38.354 38.487 -0.255 0.000 1.002 97 N HN 0.251 nan 8.380 nan 0.000 0.428 98 T N 1.109 115.528 114.554 -0.226 0.000 2.821 98 T HA -0.021 4.322 4.350 -0.013 0.000 0.267 98 T C 2.056 176.696 174.700 -0.100 0.000 1.046 98 T CA 0.907 62.891 62.100 -0.193 0.000 1.139 98 T CB -0.023 68.683 68.868 -0.270 0.000 0.871 98 T HN 0.264 nan 8.240 nan 0.000 0.454 99 M N 0.532 120.088 119.600 -0.074 0.000 2.117 99 M HA -0.076 4.397 4.480 -0.013 0.000 0.262 99 M C 2.469 178.740 176.300 -0.049 0.000 1.065 99 M CA 1.239 56.510 55.300 -0.047 0.000 1.114 99 M CB -0.578 32.008 32.600 -0.024 0.000 1.361 99 M HN 0.093 nan 8.290 nan 0.000 0.408 100 V N 0.943 120.833 119.914 -0.041 0.000 2.295 100 V HA -0.265 3.847 4.120 -0.013 0.000 0.246 100 V C 1.732 177.852 176.094 0.043 0.000 1.049 100 V CA 1.860 64.162 62.300 0.004 0.000 1.024 100 V CB -0.815 31.005 31.823 -0.005 0.000 0.648 100 V HN 0.472 nan 8.190 nan 0.000 0.447 101 N N -0.449 118.260 118.700 0.015 0.000 2.512 101 N HA -0.021 4.711 4.740 -0.013 0.000 0.183 101 N C 1.000 176.430 175.510 -0.133 0.000 1.073 101 N CA 0.620 53.670 53.050 0.000 0.000 0.911 101 N CB 0.028 38.514 38.487 -0.000 0.000 0.964 101 N HN 0.274 nan 8.380 nan 0.000 0.447 102 L N -0.299 120.859 121.223 -0.107 0.000 2.693 102 L HA 0.422 4.754 4.340 -0.013 0.000 0.235 102 L C 0.466 177.263 176.870 -0.122 0.000 1.127 102 L CA -0.317 54.456 54.840 -0.112 0.000 0.914 102 L CB -0.770 41.244 42.059 -0.075 0.000 1.193 102 L HN 0.079 nan 8.230 nan 0.000 0.502 103 A N -0.413 122.335 122.820 -0.120 0.000 2.791 103 A HA -0.222 4.090 4.320 -0.013 0.000 0.292 103 A C 1.056 178.588 177.584 -0.086 0.000 1.487 103 A CA 1.013 52.990 52.037 -0.100 0.000 0.760 103 A CB -1.913 17.015 19.000 -0.120 0.000 1.031 103 A HN 0.236 nan 8.150 nan 0.000 0.503 104 L N -1.009 120.163 121.223 -0.085 0.000 2.731 104 L HA 0.263 4.595 4.340 -0.013 0.000 0.240 104 L C 1.817 178.651 176.870 -0.059 0.000 1.120 104 L CA 1.511 56.293 54.840 -0.096 0.000 0.913 104 L CB -0.190 41.788 42.059 -0.134 0.000 1.213 104 L HN 0.611 nan 8.230 nan 0.000 0.515 105 E N -0.159 120.017 120.200 -0.041 0.000 2.070 105 E HA -0.253 4.089 4.350 -0.013 0.000 0.197 105 E C 1.577 178.165 176.600 -0.021 0.000 1.004 105 E CA 1.599 57.984 56.400 -0.024 0.000 0.805 105 E CB 0.244 29.933 29.700 -0.019 0.000 0.744 105 E HN 0.394 nan 8.360 nan 0.000 0.451 106 N N -0.211 118.473 118.700 -0.027 0.000 2.216 106 N HA -0.075 4.657 4.740 -0.013 0.000 0.183 106 N C 1.497 176.991 175.510 -0.027 0.000 1.017 106 N CA 1.170 54.204 53.050 -0.028 0.000 0.861 106 N CB -0.349 38.120 38.487 -0.029 0.000 0.986 106 N HN 0.225 nan 8.380 nan 0.000 0.428 107 A N 0.282 123.084 122.820 -0.030 0.000 1.902 107 A HA -0.147 4.165 4.320 -0.013 0.000 0.217 107 A C 2.625 180.201 177.584 -0.014 0.000 1.181 107 A CA 1.333 53.355 52.037 -0.025 0.000 0.623 107 A CB -1.023 17.954 19.000 -0.039 0.000 0.818 107 A HN 0.433 nan 8.150 nan 0.000 0.443 108 C N -0.898 118.394 119.300 -0.014 0.000 2.440 108 C HA -0.062 4.391 4.460 -0.013 0.000 0.278 108 C C 2.477 177.470 174.990 0.004 0.000 1.295 108 C CA 1.074 60.095 59.018 0.005 0.000 1.738 108 C CB -1.060 26.693 27.740 0.021 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.643 121.044 120.400 0.002 0.000 2.097 109 D HA -0.137 4.495 4.640 -0.013 0.000 0.195 109 D C 2.116 178.430 176.300 0.023 0.000 0.989 109 D CA 1.533 55.537 54.000 0.007 0.000 0.827 109 D CB -0.246 40.547 40.800 -0.012 0.000 0.966 109 D HN 0.497 nan 8.370 nan 0.000 0.456 110 E N 0.493 120.697 120.200 0.006 0.000 2.017 110 E HA -0.094 4.248 4.350 -0.013 0.000 0.193 110 E C 1.930 178.575 176.600 0.074 0.000 0.997 110 E CA 1.842 58.260 56.400 0.030 0.000 0.804 110 E CB -0.647 29.054 29.700 0.002 0.000 0.757 110 E HN 0.177 nan 8.360 nan 0.000 0.448 111 A N -0.095 122.735 122.820 0.018 0.000 1.892 111 A HA -0.253 4.060 4.320 -0.013 0.000 0.218 111 A C 2.521 180.045 177.584 -0.099 0.000 1.188 111 A CA 3.183 55.207 52.037 -0.022 0.000 0.631 111 A CB -1.624 17.363 19.000 -0.021 0.000 0.822 111 A HN 0.555 nan 8.150 nan 0.000 0.447 112 T N -3.725 110.759 114.554 -0.116 0.000 2.867 112 T HA -0.205 4.138 4.350 -0.013 0.000 0.268 112 T C 1.801 176.418 174.700 -0.138 0.000 1.057 112 T CA 1.506 63.470 62.100 -0.226 0.000 1.136 112 T CB -0.545 68.228 68.868 -0.158 0.000 0.874 112 T HN 0.503 nan 8.240 nan 0.000 0.466 113 Y N 2.074 122.294 120.300 -0.133 0.000 2.145 113 Y HA -0.073 4.470 4.550 -0.012 0.000 0.286 113 Y C 2.675 178.512 175.900 -0.105 0.000 1.145 113 Y CA 1.518 59.558 58.100 -0.099 0.000 1.148 113 Y CB -0.510 37.911 38.460 -0.065 0.000 0.981 113 Y HN 0.202 nan 8.280 nan 0.000 0.507 114 Q N -0.786 118.975 119.800 -0.066 0.000 2.226 114 Q HA -0.146 4.186 4.340 -0.013 0.000 0.204 114 Q C 1.492 177.372 176.000 -0.200 0.000 0.975 114 Q CA 0.967 56.690 55.803 -0.133 0.000 0.866 114 Q CB -0.095 28.634 28.738 -0.014 0.000 0.915 114 Q HN 0.355 nan 8.270 nan 0.000 0.440 115 L N -0.778 120.304 121.223 -0.235 0.000 2.591 115 L HA 0.128 4.461 4.340 -0.013 0.000 0.228 115 L C 1.080 177.777 176.870 -0.288 0.000 1.133 115 L CA 1.190 55.869 54.840 -0.268 0.000 0.880 115 L CB -0.511 41.292 42.059 -0.426 0.000 1.033 115 L HN 0.323 nan 8.230 nan 0.000 0.450 116 G N -0.006 108.605 108.800 -0.314 0.000 2.198 116 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.257 116 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.257 116 G C 0.058 174.804 174.900 -0.257 0.000 1.042 116 G CA 0.412 45.330 45.100 -0.302 0.000 0.791 116 G HN 0.316 nan 8.290 nan 0.000 0.502 117 L N -0.505 120.567 121.223 -0.252 0.000 2.354 117 L HA 0.619 4.952 4.340 -0.013 0.000 0.264 117 L C -0.527 176.302 176.870 -0.069 0.000 1.008 117 L CA -1.235 53.493 54.840 -0.186 0.000 0.819 117 L CB 1.890 43.779 42.059 -0.284 0.000 1.339 117 L HN 0.065 nan 8.230 nan 0.000 0.420 118 D N 1.834 122.227 120.400 -0.011 0.000 2.359 118 D HA 0.175 4.808 4.640 -0.013 0.000 0.230 118 D C 0.634 176.964 176.300 0.050 0.000 1.118 118 D CA -0.237 53.787 54.000 0.040 0.000 0.844 118 D CB 1.529 42.358 40.800 0.049 0.000 1.059 118 D HN 0.529 nan 8.370 nan 0.000 0.493 119 M N 3.333 122.964 119.600 0.052 0.000 2.108 119 M HA -0.171 4.301 4.480 -0.013 0.000 0.261 119 M C 1.466 177.811 176.300 0.074 0.000 1.066 119 M CA 1.604 56.944 55.300 0.066 0.000 1.107 119 M CB 0.143 32.775 32.600 0.053 0.000 1.356 119 M HN 0.425 nan 8.290 nan 0.000 0.406 120 E N -0.242 119.994 120.200 0.059 0.000 2.118 120 E HA -0.279 4.063 4.350 -0.013 0.000 0.195 120 E C 1.889 178.525 176.600 0.061 0.000 0.992 120 E CA 1.601 58.034 56.400 0.055 0.000 0.804 120 E CB -0.193 29.537 29.700 0.050 0.000 0.741 120 E HN 0.650 nan 8.360 nan 0.000 0.458 121 E N 0.221 120.461 120.200 0.066 0.000 2.106 121 E HA -0.188 4.155 4.350 -0.013 0.000 0.192 121 E C 1.885 178.530 176.600 0.074 0.000 0.984 121 E CA 0.517 56.956 56.400 0.065 0.000 0.806 121 E CB 0.193 29.934 29.700 0.067 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.458 122 L N 1.129 122.416 121.223 0.108 0.000 2.109 122 L HA -0.078 4.255 4.340 -0.013 0.000 0.207 122 L C 2.019 178.953 176.870 0.107 0.000 1.086 122 L CA 1.531 56.468 54.840 0.161 0.000 0.760 122 L CB -0.475 41.732 42.059 0.246 0.000 0.910 122 L HN 0.096 nan 8.230 nan 0.000 0.437 123 E N -0.674 119.578 120.200 0.087 0.000 2.153 123 E HA -0.189 4.153 4.350 -0.013 0.000 0.194 123 E C 1.764 178.331 176.600 -0.054 0.000 0.988 123 E CA 0.683 57.106 56.400 0.039 0.000 0.811 123 E CB 0.100 29.826 29.700 0.043 0.000 0.746 123 E HN 0.343 nan 8.360 nan 0.000 0.466 124 E N 0.061 120.244 120.200 -0.029 0.000 2.409 124 E HA -0.103 4.239 4.350 -0.013 0.000 0.198 124 E C 1.692 178.231 176.600 -0.101 0.000 1.024 124 E CA 0.535 56.916 56.400 -0.031 0.000 0.861 124 E CB 0.102 29.815 29.700 0.021 0.000 0.788 124 E HN 0.400 nan 8.360 nan 0.000 0.521 125 I N 0.657 121.106 120.570 -0.202 0.000 2.876 125 I HA -0.076 4.086 4.170 -0.013 0.000 0.264 125 I C 1.257 177.057 176.117 -0.527 0.000 1.204 125 I CA 0.132 61.244 61.300 -0.314 0.000 1.485 125 I CB 0.227 38.052 38.000 -0.292 0.000 1.103 125 I HN -0.053 nan 8.210 nan 0.000 0.446 126 E N 2.469 122.257 120.200 -0.687 0.000 2.366 126 E HA -0.042 4.300 4.350 -0.013 0.000 0.266 126 E C 0.006 176.496 176.600 -0.184 0.000 1.015 126 E CA -0.177 55.856 56.400 -0.611 0.000 0.906 126 E CB 0.602 30.056 29.700 -0.410 0.000 0.979 126 E HN 0.098 nan 8.360 nan 0.000 0.443 127 E N 3.158 123.334 120.200 -0.041 0.000 2.366 127 E HA 0.047 4.389 4.350 -0.013 0.000 0.266 127 E C -1.061 175.634 176.600 0.158 0.000 1.051 127 E CA -0.282 56.184 56.400 0.109 0.000 0.884 127 E CB 0.757 30.599 29.700 0.238 0.000 1.006 127 E HN 0.392 nan 8.360 nan 0.000 0.417 128 D N 1.596 122.073 120.400 0.128 0.000 2.382 128 D HA 0.260 4.892 4.640 -0.013 0.000 0.245 128 D C -0.858 175.489 176.300 0.079 0.000 1.120 128 D CA 0.217 54.267 54.000 0.084 0.000 0.890 128 D CB 1.015 41.848 40.800 0.055 0.000 1.201 128 D HN 0.440 nan 8.370 nan 0.000 0.433 129 A N 2.430 125.251 122.820 0.001 0.000 2.922 129 A HA 0.453 4.765 4.320 -0.013 0.000 0.298 129 A C 1.010 178.466 177.584 -0.214 0.000 1.588 129 A CA -0.463 51.412 52.037 -0.269 0.000 1.288 129 A CB -0.362 18.551 19.000 -0.145 0.000 1.130 129 A HN 0.534 nan 8.150 nan 0.000 0.557 130 G N 1.594 110.229 108.800 -0.275 0.000 3.455 130 G HA2 0.381 4.333 3.960 -0.013 0.000 0.250 130 G HA3 0.381 4.333 3.960 -0.013 0.000 0.250 130 G C 0.323 174.999 174.900 -0.374 0.000 1.071 130 G CA -0.272 44.729 45.100 -0.164 0.000 1.812 130 G HN 0.684 nan 8.290 nan 0.000 0.643 131 L N 1.383 122.435 121.223 -0.286 0.000 2.955 131 L HA 0.410 4.743 4.340 -0.013 0.000 0.238 131 L C 0.995 177.787 176.870 -0.130 0.000 1.359 131 L CA -0.284 54.480 54.840 -0.126 0.000 1.214 131 L CB -0.385 41.725 42.059 0.085 0.000 1.600 131 L HN 0.291 nan 8.230 nan 0.000 0.442 132 G N -1.125 107.368 108.800 -0.511 0.000 2.623 132 G HA2 0.209 4.162 3.960 -0.013 0.000 0.290 132 G HA3 0.209 4.162 3.960 -0.013 0.000 0.290 132 G C -0.208 174.233 174.900 -0.764 0.000 1.437 132 G CA -0.450 44.322 45.100 -0.545 0.000 0.798 132 G HN -0.042 nan 8.290 nan 0.000 0.488 133 N N -0.849 117.636 118.700 -0.360 0.000 2.436 133 N HA 0.212 4.944 4.740 -0.013 0.000 0.178 133 N C 1.156 176.657 175.510 -0.015 0.000 1.026 133 N CA 1.257 54.191 53.050 -0.194 0.000 0.880 133 N CB 1.308 39.785 38.487 -0.017 0.000 1.061 133 N HN 0.794 nan 8.380 nan 0.000 0.434 134 G N -0.645 108.224 108.800 0.115 0.000 3.078 134 G HA2 0.214 4.166 3.960 -0.013 0.000 0.131 134 G HA3 0.214 4.166 3.960 -0.013 0.000 0.131 134 G C 0.740 175.767 174.900 0.211 0.000 1.219 134 G CA 0.293 45.543 45.100 0.250 0.000 1.319 134 G HN 0.167 nan 8.290 nan 0.000 0.653 135 G N 0.439 109.308 108.800 0.116 0.000 2.446 135 G HA2 -0.091 3.862 3.960 -0.013 0.000 0.217 135 G HA3 -0.091 3.862 3.960 -0.013 0.000 0.217 135 G C 1.886 176.783 174.900 -0.006 0.000 1.168 135 G CA 1.474 46.601 45.100 0.047 0.000 0.771 135 G HN 0.717 nan 8.290 nan 0.000 0.551 136 L N 0.648 121.846 121.223 -0.041 0.000 2.017 136 L HA 0.062 4.395 4.340 -0.013 0.000 0.208 136 L C 2.849 179.658 176.870 -0.103 0.000 1.073 136 L CA 2.067 56.803 54.840 -0.173 0.000 0.745 136 L CB -0.571 41.369 42.059 -0.198 0.000 0.894 136 L HN 0.240 nan 8.230 nan 0.000 0.432 137 G N -0.901 107.898 108.800 -0.001 0.000 2.408 137 G HA2 -0.235 3.718 3.960 -0.013 0.000 0.217 137 G HA3 -0.235 3.718 3.960 -0.013 0.000 0.217 137 G C 1.701 176.675 174.900 0.125 0.000 1.150 137 G CA 0.220 45.343 45.100 0.039 0.000 0.776 137 G HN 0.176 nan 8.290 nan 0.000 0.542 138 R N -0.064 120.540 120.500 0.174 0.000 2.115 138 R HA 0.108 4.441 4.340 -0.013 0.000 0.226 138 R C 2.459 178.771 176.300 0.020 0.000 1.100 138 R CA 0.623 56.800 56.100 0.129 0.000 0.980 138 R CB -0.813 29.532 30.300 0.074 0.000 0.875 138 R HN 0.419 nan 8.270 nan 0.000 0.445 139 L N 0.641 121.806 121.223 -0.097 0.000 2.017 139 L HA -0.093 4.239 4.340 -0.013 0.000 0.208 139 L C 2.239 178.839 176.870 -0.450 0.000 1.073 139 L CA 2.173 56.822 54.840 -0.319 0.000 0.745 139 L CB -0.739 41.083 42.059 -0.394 0.000 0.894 139 L HN 0.162 nan 8.230 nan 0.000 0.432 140 A N -0.462 122.203 122.820 -0.258 0.000 1.892 140 A HA -0.228 4.085 4.320 -0.013 0.000 0.218 140 A C 2.454 180.074 177.584 0.060 0.000 1.188 140 A CA 2.188 54.137 52.037 -0.147 0.000 0.631 140 A CB -1.293 17.595 19.000 -0.186 0.000 0.822 140 A HN 0.593 nan 8.150 nan 0.000 0.447 141 A N -1.190 121.716 122.820 0.142 0.000 1.902 141 A HA -0.179 4.134 4.320 -0.013 0.000 0.217 141 A C 2.334 179.994 177.584 0.125 0.000 1.181 141 A CA 1.717 53.865 52.037 0.185 0.000 0.623 141 A CB -1.303 17.795 19.000 0.164 0.000 0.818 141 A HN 0.614 nan 8.150 nan 0.000 0.443 142 C N -1.629 117.743 119.300 0.120 0.000 2.429 142 C HA -0.059 4.394 4.460 -0.013 0.000 0.277 142 C C 2.430 177.576 174.990 0.261 0.000 1.262 142 C CA 0.652 59.779 59.018 0.181 0.000 1.733 142 C CB -1.593 26.273 27.740 0.209 0.000 2.010 142 C HN 0.609 nan 8.230 nan 0.000 0.483 143 F N 0.468 120.402 119.950 -0.026 0.000 2.134 143 F HA -0.084 4.435 4.527 -0.013 0.000 0.299 143 F C 2.129 177.870 175.800 -0.098 0.000 1.097 143 F CA 1.095 59.029 58.000 -0.110 0.000 1.264 143 F CB -1.377 37.419 39.000 -0.340 0.000 1.001 143 F HN 0.087 nan 8.300 nan 0.000 0.479 144 L N 0.404 121.702 121.223 0.125 0.000 2.012 144 L HA -0.244 4.088 4.340 -0.013 0.000 0.210 144 L C 2.423 179.309 176.870 0.027 0.000 1.073 144 L CA 1.962 56.835 54.840 0.055 0.000 0.748 144 L CB -1.274 40.829 42.059 0.073 0.000 0.891 144 L HN 0.205 nan 8.230 nan 0.000 0.431 145 D N -1.375 119.049 120.400 0.040 0.000 2.123 145 D HA -0.175 4.457 4.640 -0.013 0.000 0.196 145 D C 1.899 178.217 176.300 0.030 0.000 0.992 145 D CA 1.561 55.569 54.000 0.014 0.000 0.833 145 D CB 0.430 41.234 40.800 0.008 0.000 0.954 145 D HN 0.316 nan 8.370 nan 0.000 0.455 146 S N -0.156 115.579 115.700 0.058 0.000 2.368 146 S HA -0.060 4.402 4.470 -0.013 0.000 0.224 146 S C 2.119 176.735 174.600 0.026 0.000 1.029 146 S CA 0.725 58.953 58.200 0.047 0.000 0.988 146 S CB -0.104 63.131 63.200 0.059 0.000 0.838 146 S HN 0.337 nan 8.310 nan 0.000 0.462 147 M N 0.875 120.483 119.600 0.014 0.000 2.213 147 M HA -0.090 4.383 4.480 -0.013 0.000 0.263 147 M C 2.364 178.665 176.300 0.002 0.000 1.062 147 M CA 1.335 56.638 55.300 0.005 0.000 1.105 147 M CB -0.424 32.161 32.600 -0.024 0.000 1.385 147 M HN 0.396 nan 8.290 nan 0.000 0.417 148 A N -0.498 122.321 122.820 -0.002 0.000 1.897 148 A HA -0.097 4.215 4.320 -0.013 0.000 0.215 148 A C 2.137 179.732 177.584 0.018 0.000 1.181 148 A CA 1.820 53.856 52.037 -0.001 0.000 0.620 148 A CB -0.949 18.035 19.000 -0.027 0.000 0.821 148 A HN 0.390 nan 8.150 nan 0.000 0.443 149 T N 0.282 114.854 114.554 0.030 0.000 2.915 149 T HA 0.019 4.361 4.350 -0.013 0.000 0.269 149 T C 1.270 175.998 174.700 0.047 0.000 1.071 149 T CA 1.010 63.141 62.100 0.053 0.000 1.132 149 T CB -0.255 68.655 68.868 0.071 0.000 0.878 149 T HN 0.331 nan 8.240 nan 0.000 0.479 150 L N 0.509 121.756 121.223 0.040 0.000 2.653 150 L HA 0.307 4.639 4.340 -0.013 0.000 0.231 150 L C 1.517 178.413 176.870 0.043 0.000 1.153 150 L CA -0.168 54.697 54.840 0.041 0.000 0.933 150 L CB -0.402 41.682 42.059 0.042 0.000 1.175 150 L HN 0.366 nan 8.230 nan 0.000 0.473 151 G N 1.364 110.191 108.800 0.045 0.000 2.323 151 G HA2 -0.284 3.669 3.960 -0.013 0.000 0.292 151 G HA3 -0.284 3.669 3.960 -0.013 0.000 0.292 151 G C 0.017 174.951 174.900 0.058 0.000 1.040 151 G CA 0.101 45.239 45.100 0.065 0.000 0.942 151 G HN 0.292 nan 8.290 nan 0.000 0.506 152 L N -0.309 120.923 121.223 0.015 0.000 2.325 152 L HA 0.637 4.970 4.340 -0.013 0.000 0.279 152 L C 1.137 177.879 176.870 -0.212 0.000 1.054 152 L CA -0.499 54.303 54.840 -0.063 0.000 0.804 152 L CB 1.759 43.798 42.059 -0.033 0.000 1.200 152 L HN 0.268 nan 8.230 nan 0.000 0.436 153 A N 3.015 125.568 122.820 -0.445 0.000 2.990 153 A HA 0.575 4.888 4.320 -0.013 0.000 0.282 153 A C 0.276 177.516 177.584 -0.575 0.000 1.688 153 A CA -0.172 51.328 52.037 -0.895 0.000 1.391 153 A CB -0.628 17.736 19.000 -1.060 0.000 1.112 153 A HN 0.689 nan 8.150 nan 0.000 0.588 154 A N 1.424 123.958 122.820 -0.477 0.000 2.340 154 A HA 0.792 5.104 4.320 -0.013 0.000 0.331 154 A C -1.013 176.320 177.584 -0.419 0.000 1.140 154 A CA -0.467 51.348 52.037 -0.369 0.000 0.801 154 A CB 0.756 19.612 19.000 -0.240 0.000 1.234 154 A HN 0.611 nan 8.150 nan 0.000 0.469 155 Y N 0.342 120.601 120.300 -0.069 0.000 2.391 155 Y HA 0.544 5.087 4.550 -0.012 0.000 0.341 155 Y C 0.872 176.892 175.900 0.200 0.000 0.965 155 Y CA -0.560 57.584 58.100 0.072 0.000 1.067 155 Y CB 2.381 40.991 38.460 0.249 0.000 1.199 155 Y HN 0.822 nan 8.280 nan 0.000 0.450 156 G N 2.136 111.043 108.800 0.180 0.000 2.338 156 G HA2 0.450 4.402 3.960 -0.013 0.000 0.298 156 G HA3 0.450 4.402 3.960 -0.013 0.000 0.298 156 G C -1.789 173.147 174.900 0.059 0.000 1.140 156 G CA -0.260 44.978 45.100 0.231 0.000 0.860 156 G HN 0.530 nan 8.290 nan 0.000 0.470 157 Y N 0.990 121.528 120.300 0.397 0.000 2.361 157 Y HA 0.627 5.169 4.550 -0.013 0.000 0.337 157 Y C 0.723 176.926 175.900 0.505 0.000 0.965 157 Y CA 0.169 58.464 58.100 0.325 0.000 1.091 157 Y CB 2.660 41.337 38.460 0.362 0.000 1.182 157 Y HN 0.886 nan 8.280 nan 0.000 0.450 158 G N 2.454 111.560 108.800 0.510 0.000 2.731 158 G HA2 0.562 4.514 3.960 -0.013 0.000 0.309 158 G HA3 0.562 4.514 3.960 -0.013 0.000 0.309 158 G C -1.778 173.365 174.900 0.406 0.000 1.273 158 G CA -0.835 44.610 45.100 0.574 0.000 0.798 158 G HN 0.429 nan 8.290 nan 0.000 0.509 159 I N 0.619 121.328 120.570 0.231 0.000 2.412 159 I HA 0.421 4.583 4.170 -0.013 0.000 0.296 159 I C 0.286 176.311 176.117 -0.153 0.000 0.987 159 I CA -0.706 60.614 61.300 0.034 0.000 1.180 159 I CB 2.088 39.903 38.000 -0.309 0.000 1.340 159 I HN 0.357 nan 8.210 nan 0.000 0.455 160 R N 6.365 126.875 120.500 0.016 0.000 2.593 160 R HA 0.246 4.578 4.340 -0.013 0.000 0.282 160 R C -1.253 175.106 176.300 0.099 0.000 1.300 160 R CA -0.451 55.694 56.100 0.075 0.000 1.221 160 R CB -0.025 30.300 30.300 0.043 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.521 121.969 120.300 0.248 0.000 2.411 161 Y HA -0.041 4.501 4.550 -0.013 0.000 0.333 161 Y C 1.535 177.605 175.900 0.284 0.000 1.186 161 Y CA -0.037 58.196 58.100 0.222 0.000 1.381 161 Y CB 0.891 39.460 38.460 0.181 0.000 1.273 161 Y HN 0.557 nan 8.280 nan 0.000 0.546 162 E N 1.045 121.417 120.200 0.286 0.000 2.442 162 E HA 0.064 4.407 4.350 -0.013 0.000 0.195 162 E C -0.794 175.676 176.600 -0.217 0.000 1.030 162 E CA 0.406 56.801 56.400 -0.008 0.000 0.869 162 E CB 0.125 29.629 29.700 -0.325 0.000 0.857 162 E HN 0.439 nan 8.360 nan 0.000 0.505 163 F N 1.158 121.339 119.950 0.386 0.000 2.496 163 F HA 0.470 4.989 4.527 -0.013 0.000 0.341 163 F C 0.860 176.736 175.800 0.128 0.000 1.134 163 F CA -1.097 57.069 58.000 0.277 0.000 0.968 163 F CB 2.067 41.163 39.000 0.161 0.000 1.205 163 F HN -0.051 nan 8.300 nan 0.000 0.436 164 G N 2.002 110.899 108.800 0.162 0.000 2.546 164 G HA2 0.307 4.259 3.960 -0.013 0.000 0.239 164 G HA3 0.307 4.259 3.960 -0.013 0.000 0.239 164 G C -0.499 174.352 174.900 -0.082 0.000 1.476 164 G CA -0.630 44.411 45.100 -0.098 0.000 1.064 164 G HN 0.509 nan 8.290 nan 0.000 0.561 165 I N 0.984 121.431 120.570 -0.205 0.000 2.683 165 I HA 0.232 4.394 4.170 -0.013 0.000 0.286 165 I C 0.560 176.582 176.117 -0.158 0.000 1.175 165 I CA -1.156 59.999 61.300 -0.241 0.000 1.429 165 I CB -0.252 37.508 38.000 -0.401 0.000 1.371 165 I HN 0.336 nan 8.210 nan 0.000 0.569 166 F N 6.307 126.265 119.950 0.014 0.000 2.626 166 F HA 0.218 4.738 4.527 -0.012 0.000 0.354 166 F C 0.450 176.298 175.800 0.080 0.000 1.168 166 F CA -0.441 57.590 58.000 0.050 0.000 1.368 166 F CB -0.266 38.751 39.000 0.029 0.000 1.092 166 F HN 0.431 nan 8.300 nan 0.000 0.612 167 N N 2.253 121.140 118.700 0.311 0.000 2.472 167 N HA 0.070 4.802 4.740 -0.013 0.000 0.277 167 N C -0.871 174.881 175.510 0.403 0.000 1.081 167 N CA -0.346 52.850 53.050 0.244 0.000 0.973 167 N CB 1.295 39.914 38.487 0.221 0.000 1.105 167 N HN 0.774 nan 8.380 nan 0.000 0.470 168 Q N 2.426 122.435 119.800 0.348 0.000 2.256 168 Q HA 0.207 4.540 4.340 -0.013 0.000 0.254 168 Q C -0.990 175.184 176.000 0.291 0.000 0.916 168 Q CA -0.270 55.779 55.803 0.410 0.000 0.932 168 Q CB 0.809 29.796 28.738 0.415 0.000 1.207 168 Q HN 0.261 nan 8.270 nan 0.000 0.426 169 K N 4.447 124.992 120.400 0.241 0.000 2.345 169 K HA 0.432 4.745 4.320 -0.013 0.000 0.255 169 K C -0.898 175.798 176.600 0.161 0.000 0.934 169 K CA -0.915 55.488 56.287 0.192 0.000 0.801 169 K CB 1.580 34.172 32.500 0.153 0.000 1.137 169 K HN 0.635 nan 8.250 nan 0.000 0.424 170 I N 2.808 123.467 120.570 0.149 0.000 2.307 170 I HA 0.187 4.349 4.170 -0.013 0.000 0.289 170 I C -0.106 176.067 176.117 0.094 0.000 1.021 170 I CA -0.688 60.668 61.300 0.093 0.000 1.224 170 I CB 0.531 38.564 38.000 0.055 0.000 1.376 170 I HN 0.454 nan 8.210 nan 0.000 0.470 171 C N 4.314 123.681 119.300 0.112 0.000 2.301 171 C HA 0.581 5.033 4.460 -0.013 0.000 0.323 171 C C 1.178 176.268 174.990 0.166 0.000 1.265 171 C CA -0.283 58.806 59.018 0.118 0.000 1.503 171 C CB 0.369 28.173 27.740 0.107 0.000 2.195 171 C HN 1.083 nan 8.230 nan 0.000 0.477 172 G N 2.804 111.673 108.800 0.115 0.000 2.249 172 G HA2 0.086 4.038 3.960 -0.013 0.000 0.273 172 G HA3 0.086 4.038 3.960 -0.013 0.000 0.273 172 G C 1.075 175.991 174.900 0.027 0.000 1.036 172 G CA 0.953 46.127 45.100 0.124 0.000 0.824 172 G HN 2.318 nan 8.290 nan 0.000 0.504 173 G N -2.958 105.800 108.800 -0.070 0.000 2.179 173 G HA2 -0.291 3.662 3.960 -0.013 0.000 0.260 173 G HA3 -0.291 3.662 3.960 -0.013 0.000 0.260 173 G C 0.373 175.026 174.900 -0.413 0.000 0.977 173 G CA 0.670 45.602 45.100 -0.280 0.000 0.641 173 G HN 1.197 nan 8.290 nan 0.000 0.533 174 W N 0.742 121.986 121.300 -0.094 0.000 2.516 174 W HA 0.669 5.322 4.660 -0.012 0.000 0.343 174 W C 0.615 177.078 176.519 -0.093 0.000 1.094 174 W CA -0.871 56.412 57.345 -0.103 0.000 1.250 174 W CB 0.833 30.249 29.460 -0.073 0.000 1.308 174 W HN 0.247 nan 8.180 nan 0.000 0.588 175 Q N 2.721 122.622 119.800 0.169 0.000 2.314 175 Q HA 0.305 4.637 4.340 -0.013 0.000 0.258 175 Q C -0.707 175.348 176.000 0.091 0.000 0.954 175 Q CA -0.016 55.849 55.803 0.104 0.000 0.890 175 Q CB 0.649 29.441 28.738 0.091 0.000 1.210 175 Q HN 0.302 nan 8.270 nan 0.000 0.410 176 M N 3.174 122.822 119.600 0.081 0.000 2.321 176 M HA 0.380 4.852 4.480 -0.013 0.000 0.315 176 M C -1.212 175.093 176.300 0.008 0.000 1.052 176 M CA -0.640 54.677 55.300 0.028 0.000 0.936 176 M CB 1.716 34.348 32.600 0.054 0.000 1.639 176 M HN 0.627 nan 8.290 nan 0.000 0.433 177 E N 1.866 121.995 120.200 -0.118 0.000 2.204 177 E HA 0.518 4.860 4.350 -0.013 0.000 0.276 177 E C -0.601 175.976 176.600 -0.038 0.000 0.974 177 E CA -0.544 55.741 56.400 -0.191 0.000 0.815 177 E CB 1.726 31.041 29.700 -0.642 0.000 1.119 177 E HN 0.528 nan 8.360 nan 0.000 0.393 178 E N 1.422 121.680 120.200 0.096 0.000 2.308 178 E HA 0.605 4.948 4.350 -0.013 0.000 0.275 178 E C -1.217 175.467 176.600 0.141 0.000 0.890 178 E CA -1.288 55.164 56.400 0.088 0.000 0.754 178 E CB 1.333 31.093 29.700 0.100 0.000 1.207 178 E HN 0.525 nan 8.360 nan 0.000 0.426 179 A N 3.084 125.941 122.820 0.062 0.000 2.584 179 A HA -0.001 4.311 4.320 -0.013 0.000 0.239 179 A C 0.051 177.780 177.584 0.243 0.000 1.043 179 A CA 0.768 52.844 52.037 0.066 0.000 0.756 179 A CB -0.079 18.813 19.000 -0.181 0.000 0.963 179 A HN 0.697 nan 8.150 nan 0.000 0.511 180 D N 1.784 122.402 120.400 0.364 0.000 2.500 180 D HA 0.181 4.814 4.640 -0.013 0.000 0.219 180 D C -0.447 176.202 176.300 0.581 0.000 1.137 180 D CA -0.258 53.978 54.000 0.393 0.000 0.946 180 D CB 0.396 41.365 40.800 0.282 0.000 1.022 180 D HN 0.363 nan 8.370 nan 0.000 0.518 181 D N 4.044 124.755 120.400 0.518 0.000 2.688 181 D HA -0.032 4.601 4.640 -0.013 0.000 0.228 181 D C 1.109 177.585 176.300 0.293 0.000 1.116 181 D CA -0.525 53.722 54.000 0.411 0.000 1.023 181 D CB -0.157 40.868 40.800 0.375 0.000 1.100 181 D HN 0.601 nan 8.370 nan 0.000 0.487 182 W N 1.942 123.305 121.300 0.105 0.000 2.538 182 W HA -0.079 4.574 4.660 -0.013 0.000 0.254 182 W C 0.206 176.794 176.519 0.114 0.000 1.249 182 W CA 0.114 57.529 57.345 0.117 0.000 1.253 182 W CB -0.807 28.717 29.460 0.107 0.000 1.130 182 W HN 0.199 nan 8.180 nan 0.000 0.618 183 L N 0.760 121.654 121.223 -0.548 0.000 2.585 183 L HA 0.166 4.499 4.340 -0.013 0.000 0.226 183 L C 2.776 179.517 176.870 -0.216 0.000 1.113 183 L CA 0.041 54.534 54.840 -0.579 0.000 0.876 183 L CB -0.652 40.931 42.059 -0.795 0.000 1.072 183 L HN -0.124 nan 8.230 nan 0.000 0.468 184 R N 0.862 121.304 120.500 -0.096 0.000 2.159 184 R HA -0.268 4.065 4.340 -0.013 0.000 0.252 184 R C 1.393 177.574 176.300 -0.198 0.000 1.144 184 R CA 2.338 58.370 56.100 -0.114 0.000 0.961 184 R CB -0.323 29.951 30.300 -0.043 0.000 0.877 184 R HN 0.341 nan 8.270 nan 0.000 0.444 185 Y N -0.625 119.689 120.300 0.024 0.000 2.457 185 Y HA 0.325 4.868 4.550 -0.012 0.000 0.263 185 Y C 0.839 176.733 175.900 -0.009 0.000 1.164 185 Y CA 0.362 58.484 58.100 0.036 0.000 1.274 185 Y CB 1.164 39.745 38.460 0.202 0.000 1.097 185 Y HN 0.491 nan 8.280 nan 0.000 0.523 186 G N 1.324 110.176 108.800 0.087 0.000 2.662 186 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.686 186 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.686 186 G C -1.367 173.604 174.900 0.117 0.000 1.271 186 G CA -0.878 44.237 45.100 0.025 0.000 0.816 186 G HN 0.192 nan 8.290 nan 0.000 0.608 187 N N 1.276 119.988 118.700 0.021 0.000 2.569 187 N HA 0.538 5.271 4.740 -0.013 0.000 0.254 187 N C -0.754 174.748 175.510 -0.012 0.000 1.004 187 N CA -1.990 51.089 53.050 0.049 0.000 0.904 187 N CB 2.018 40.477 38.487 -0.046 0.000 1.165 187 N HN 0.249 nan 8.380 nan 0.000 0.513 188 P HA 0.002 nan 4.420 nan 0.000 0.230 188 P C 0.578 177.494 177.300 -0.640 0.000 1.158 188 P CA 0.748 63.506 63.100 -0.569 0.000 0.769 188 P CB 0.110 31.191 31.700 -1.032 0.000 0.807 189 W N 1.728 123.039 121.300 0.019 0.000 2.576 189 W HA 0.069 4.722 4.660 -0.012 0.000 0.275 189 W C 1.354 177.920 176.519 0.078 0.000 1.241 189 W CA -0.323 57.032 57.345 0.017 0.000 1.328 189 W CB -0.333 29.137 29.460 0.017 0.000 1.092 189 W HN -0.033 nan 8.180 nan 0.000 0.586 190 E N 1.922 122.297 120.200 0.293 0.000 2.374 190 E HA 0.249 4.591 4.350 -0.013 0.000 0.260 190 E C -0.544 176.230 176.600 0.291 0.000 1.101 190 E CA -0.504 56.081 56.400 0.308 0.000 0.907 190 E CB 1.144 31.033 29.700 0.316 0.000 1.014 190 E HN -0.299 nan 8.360 nan 0.000 0.427 191 K N 1.487 122.077 120.400 0.316 0.000 2.616 191 K HA 0.387 4.699 4.320 -0.013 0.000 0.241 191 K C -1.220 175.417 176.600 0.061 0.000 0.961 191 K CA -0.371 56.035 56.287 0.198 0.000 0.942 191 K CB 1.357 33.980 32.500 0.205 0.000 1.153 191 K HN 0.666 nan 8.250 nan 0.000 0.452 192 A N 3.967 126.744 122.820 -0.072 0.000 2.540 192 A HA 0.294 4.606 4.320 -0.013 0.000 0.239 192 A C -0.230 177.166 177.584 -0.314 0.000 1.061 192 A CA 0.045 51.773 52.037 -0.515 0.000 0.758 192 A CB 0.201 18.897 19.000 -0.508 0.000 0.991 192 A HN 0.663 nan 8.150 nan 0.000 0.502 193 R N 3.369 123.669 120.500 -0.333 0.000 2.748 193 R HA 0.203 4.535 4.340 -0.013 0.000 0.283 193 R C -2.370 173.790 176.300 -0.233 0.000 1.507 193 R CA -1.656 54.324 56.100 -0.201 0.000 1.666 193 R CB 0.772 31.132 30.300 0.100 0.000 1.237 193 R HN 0.570 nan 8.270 nan 0.000 0.633 194 P HA -0.192 nan 4.420 nan 0.000 0.221 194 P C 0.892 178.083 177.300 -0.182 0.000 1.145 194 P CA 1.163 64.165 63.100 -0.162 0.000 0.795 194 P CB 0.358 31.977 31.700 -0.136 0.000 0.775 195 E N -0.023 119.951 120.200 -0.376 0.000 2.418 195 E HA -0.123 4.219 4.350 -0.013 0.000 0.197 195 E C 0.741 177.076 176.600 -0.442 0.000 1.026 195 E CA 0.675 56.794 56.400 -0.469 0.000 0.862 195 E CB -0.910 28.380 29.700 -0.683 0.000 0.799 195 E HN 0.376 nan 8.360 nan 0.000 0.518 196 F N 1.584 121.547 119.950 0.022 0.000 2.772 196 F HA 0.240 4.760 4.527 -0.013 0.000 0.302 196 F C 0.465 176.356 175.800 0.151 0.000 1.136 196 F CA -0.725 57.318 58.000 0.072 0.000 1.322 196 F CB 0.686 39.721 39.000 0.059 0.000 0.967 196 F HN -0.282 nan 8.300 nan 0.000 0.513 197 T N 2.951 117.637 114.554 0.221 0.000 2.928 197 T HA 0.229 4.572 4.350 -0.013 0.000 0.305 197 T C -0.233 174.576 174.700 0.180 0.000 1.035 197 T CA 0.342 62.575 62.100 0.222 0.000 1.145 197 T CB 0.828 69.776 68.868 0.134 0.000 0.963 197 T HN -0.111 nan 8.240 nan 0.000 0.545 198 L N 5.339 126.645 121.223 0.139 0.000 2.354 198 L HA 0.620 4.952 4.340 -0.013 0.000 0.264 198 L C -2.256 174.587 176.870 -0.046 0.000 1.008 198 L CA -2.599 52.251 54.840 0.017 0.000 0.819 198 L CB 1.947 43.951 42.059 -0.091 0.000 1.339 198 L HN 0.388 nan 8.230 nan 0.000 0.420 199 P HA 0.425 nan 4.420 nan 0.000 0.292 199 P C -1.295 175.865 177.300 -0.233 0.000 1.283 199 P CA -0.484 62.535 63.100 -0.135 0.000 0.835 199 P CB 2.010 33.631 31.700 -0.133 0.000 1.017 200 V N 3.954 123.709 119.914 -0.265 0.000 2.588 200 V HA 0.312 4.425 4.120 -0.013 0.000 0.304 200 V C 0.154 175.987 176.094 -0.434 0.000 1.042 200 V CA -0.611 61.515 62.300 -0.290 0.000 0.877 200 V CB 1.450 33.176 31.823 -0.162 0.000 0.996 200 V HN 0.612 nan 8.190 nan 0.000 0.425 201 H N 4.017 122.895 119.070 -0.319 0.000 2.483 201 H HA 0.628 5.176 4.556 -0.013 0.000 0.338 201 H C -1.286 173.642 175.328 -0.667 0.000 1.152 201 H CA -0.134 55.619 56.048 -0.492 0.000 1.264 201 H CB 1.835 31.066 29.762 -0.885 0.000 1.510 201 H HN 0.468 nan 8.280 nan 0.000 0.530 202 F N -0.135 119.822 119.950 0.011 0.000 2.613 202 F HA 0.192 4.712 4.527 -0.013 0.000 0.310 202 F C -0.355 175.531 175.800 0.143 0.000 1.085 202 F CA -0.576 57.445 58.000 0.035 0.000 0.945 202 F CB 1.110 40.070 39.000 -0.067 0.000 1.298 202 F HN 0.566 nan 8.300 nan 0.000 0.455 203 Y N 0.320 120.879 120.300 0.431 0.000 2.896 203 Y HA -0.017 4.526 4.550 -0.013 0.000 0.466 203 Y C 1.385 177.501 175.900 0.360 0.000 1.197 203 Y CA 0.675 58.956 58.100 0.301 0.000 2.513 203 Y CB -1.917 36.647 38.460 0.173 0.000 1.232 203 Y HN 1.317 nan 8.280 nan 0.000 0.632 204 G N 0.717 109.755 108.800 0.397 0.000 2.593 204 G HA2 0.115 4.067 3.960 -0.013 0.000 0.237 204 G HA3 0.115 4.067 3.960 -0.013 0.000 0.237 204 G C -0.527 174.562 174.900 0.314 0.000 1.312 204 G CA 1.000 46.257 45.100 0.262 0.000 0.896 204 G HN 1.393 nan 8.290 nan 0.000 0.574 205 R N -2.565 118.120 120.500 0.309 0.000 2.747 205 R HA 0.700 5.032 4.340 -0.013 0.000 0.272 205 R C -1.634 174.792 176.300 0.211 0.000 1.032 205 R CA -0.849 55.382 56.100 0.218 0.000 0.896 205 R CB 1.222 31.599 30.300 0.129 0.000 1.253 205 R HN 0.973 nan 8.270 nan 0.000 0.461 206 V N 1.087 121.043 119.914 0.071 0.000 2.384 206 V HA 0.348 4.461 4.120 -0.013 0.000 0.287 206 V C -0.315 175.711 176.094 -0.114 0.000 1.020 206 V CA -0.554 61.717 62.300 -0.049 0.000 0.850 206 V CB 1.408 33.128 31.823 -0.172 0.000 0.987 206 V HN 0.665 nan 8.190 nan 0.000 0.436 207 E N 3.383 123.506 120.200 -0.127 0.000 2.151 207 E HA 0.382 4.724 4.350 -0.013 0.000 0.275 207 E C -0.929 175.554 176.600 -0.195 0.000 0.936 207 E CA -0.665 55.680 56.400 -0.091 0.000 0.777 207 E CB 0.933 30.623 29.700 -0.016 0.000 1.108 207 E HN 0.644 nan 8.360 nan 0.000 0.401 208 H N 2.611 121.696 119.070 0.025 0.000 2.724 208 H HA 0.166 4.714 4.556 -0.013 0.000 0.278 208 H C -0.306 175.031 175.328 0.016 0.000 1.159 208 H CA -0.186 55.871 56.048 0.016 0.000 1.254 208 H CB 0.614 30.381 29.762 0.009 0.000 1.412 208 H HN 0.417 nan 8.280 nan 0.000 0.488 209 T N 0.008 114.617 114.554 0.091 0.000 2.824 209 T HA 0.291 4.633 4.350 -0.013 0.000 0.282 209 T C 1.146 175.879 174.700 0.055 0.000 0.993 209 T CA -0.206 61.933 62.100 0.065 0.000 0.967 209 T CB 1.908 70.799 68.868 0.039 0.000 0.960 209 T HN 0.529 nan 8.240 nan 0.000 0.441 210 S N 2.808 118.536 115.700 0.047 0.000 2.746 210 S HA -0.380 4.082 4.470 -0.013 0.000 0.526 210 S C 0.951 175.574 174.600 0.038 0.000 0.959 210 S CA 1.930 60.152 58.200 0.037 0.000 3.281 210 S CB -1.412 61.805 63.200 0.029 0.000 2.286 210 S HN 0.856 nan 8.310 nan 0.000 0.525 211 Q N 2.933 122.754 119.800 0.036 0.000 2.819 211 Q HA 0.563 4.896 4.340 -0.013 0.000 0.392 211 Q C 0.241 176.264 176.000 0.039 0.000 1.088 211 Q CA 0.798 56.622 55.803 0.035 0.000 1.062 211 Q CB 0.431 29.186 28.738 0.028 0.000 1.369 211 Q HN 0.989 nan 8.270 nan 0.000 0.434 212 G N -0.453 108.379 108.800 0.054 0.000 2.406 212 G HA2 0.272 4.224 3.960 -0.013 0.000 0.680 212 G HA3 0.272 4.224 3.960 -0.013 0.000 0.680 212 G C -1.144 173.784 174.900 0.047 0.000 1.338 212 G CA -0.645 44.489 45.100 0.056 0.000 0.941 212 G HN 0.443 nan 8.290 nan 0.000 0.633 213 A N 0.362 123.195 122.820 0.023 0.000 2.302 213 A HA 0.830 5.142 4.320 -0.013 0.000 0.285 213 A C 0.355 177.893 177.584 -0.076 0.000 1.105 213 A CA -0.027 51.949 52.037 -0.101 0.000 0.816 213 A CB 0.849 19.749 19.000 -0.168 0.000 1.067 213 A HN 0.754 nan 8.150 nan 0.000 0.489 214 K N 0.654 120.998 120.400 -0.094 0.000 2.443 214 K HA 0.196 4.508 4.320 -0.013 0.000 0.252 214 K C -1.798 174.838 176.600 0.059 0.000 0.933 214 K CA -0.388 55.891 56.287 -0.013 0.000 0.792 214 K CB 1.940 34.435 32.500 -0.009 0.000 1.185 214 K HN 0.730 nan 8.250 nan 0.000 0.425 215 W N 4.999 126.214 121.300 -0.142 0.000 2.387 215 W HA 0.357 5.010 4.660 -0.013 0.000 0.310 215 W C -1.034 175.411 176.519 -0.123 0.000 1.181 215 W CA -0.630 56.633 57.345 -0.137 0.000 1.333 215 W CB 0.427 29.792 29.460 -0.159 0.000 1.286 215 W HN 0.185 nan 8.180 nan 0.000 0.455 216 V N 6.581 126.572 119.914 0.129 0.000 3.046 216 V HA 0.338 4.451 4.120 -0.013 0.000 0.316 216 V C -0.471 175.596 176.094 -0.045 0.000 1.104 216 V CA -0.581 61.704 62.300 -0.024 0.000 1.006 216 V CB 2.114 33.950 31.823 0.022 0.000 1.058 216 V HN 0.462 nan 8.190 nan 0.000 0.440 217 D N 1.378 121.738 120.400 -0.066 0.000 2.708 217 D HA -0.129 4.503 4.640 -0.013 0.000 0.236 217 D C 0.423 176.672 176.300 -0.085 0.000 1.146 217 D CA 1.382 55.346 54.000 -0.062 0.000 0.662 217 D CB -1.291 39.504 40.800 -0.009 0.000 1.059 217 D HN 0.853 nan 8.370 nan 0.000 0.428 218 T N -3.128 111.328 114.554 -0.164 0.000 2.899 218 T HA 0.393 4.735 4.350 -0.013 0.000 0.284 218 T C 0.260 174.928 174.700 -0.054 0.000 1.004 218 T CA -0.862 61.151 62.100 -0.145 0.000 1.043 218 T CB 2.559 71.173 68.868 -0.424 0.000 1.013 218 T HN 0.215 nan 8.240 nan 0.000 0.518 219 Q N 1.134 120.980 119.800 0.077 0.000 2.257 219 Q HA 0.515 4.847 4.340 -0.013 0.000 0.255 219 Q C -1.453 174.606 176.000 0.098 0.000 0.920 219 Q CA -0.835 55.018 55.803 0.083 0.000 0.927 219 Q CB 1.239 30.115 28.738 0.230 0.000 1.229 219 Q HN 0.621 nan 8.270 nan 0.000 0.433 220 V N 4.510 124.438 119.914 0.023 0.000 2.427 220 V HA 0.427 4.539 4.120 -0.013 0.000 0.286 220 V C -0.380 175.761 176.094 0.079 0.000 1.034 220 V CA -0.583 61.689 62.300 -0.046 0.000 0.893 220 V CB 1.681 33.439 31.823 -0.109 0.000 0.982 220 V HN 0.641 nan 8.190 nan 0.000 0.452 221 V N 6.062 126.056 119.914 0.134 0.000 2.604 221 V HA 0.515 4.627 4.120 -0.013 0.000 0.305 221 V C -0.246 175.956 176.094 0.179 0.000 1.043 221 V CA -0.645 61.775 62.300 0.200 0.000 0.888 221 V CB 1.983 34.004 31.823 0.330 0.000 0.995 221 V HN 0.630 nan 8.190 nan 0.000 0.429 222 L N 3.342 124.672 121.223 0.179 0.000 2.343 222 L HA 0.821 5.154 4.340 -0.013 0.000 0.275 222 L C 0.311 177.370 176.870 0.315 0.000 1.056 222 L CA -0.533 54.411 54.840 0.173 0.000 0.804 222 L CB 1.550 43.689 42.059 0.133 0.000 1.203 222 L HN 0.737 nan 8.230 nan 0.000 0.440 223 A N 4.460 127.423 122.820 0.238 0.000 2.267 223 A HA 0.613 4.925 4.320 -0.013 0.000 0.315 223 A C -0.522 177.337 177.584 0.459 0.000 1.297 223 A CA -0.471 51.759 52.037 0.320 0.000 0.865 223 A CB 1.002 19.772 19.000 -0.383 0.000 1.165 223 A HN 0.798 nan 8.150 nan 0.000 0.513 224 M N 6.086 126.010 119.600 0.540 0.000 2.129 224 M HA 0.489 4.962 4.480 -0.013 0.000 0.348 224 M C -2.600 173.983 176.300 0.471 0.000 1.116 224 M CA -2.012 53.545 55.300 0.428 0.000 1.022 224 M CB 1.889 34.660 32.600 0.284 0.000 1.599 224 M HN 0.345 nan 8.290 nan 0.000 0.449 225 P HA 0.248 nan 4.420 nan 0.000 0.282 225 P C -1.947 175.294 177.300 -0.098 0.000 1.249 225 P CA 0.007 63.041 63.100 -0.110 0.000 0.806 225 P CB 0.516 31.943 31.700 -0.455 0.000 0.984 226 Y N 0.546 120.786 120.300 -0.100 0.000 2.326 226 Y HA 0.300 4.842 4.550 -0.013 0.000 0.329 226 Y C 0.029 175.922 175.900 -0.012 0.000 0.973 226 Y CA -0.339 57.762 58.100 0.002 0.000 1.162 226 Y CB 1.425 39.917 38.460 0.054 0.000 1.147 226 Y HN 0.213 nan 8.280 nan 0.000 0.456 227 D N 2.123 122.637 120.400 0.191 0.000 2.198 227 D HA 0.407 5.039 4.640 -0.013 0.000 0.245 227 D C -0.543 175.999 176.300 0.403 0.000 1.079 227 D CA -0.191 53.964 54.000 0.258 0.000 0.854 227 D CB 1.807 42.791 40.800 0.306 0.000 1.148 227 D HN 0.354 nan 8.370 nan 0.000 0.456 228 T N 3.010 117.702 114.554 0.229 0.000 2.824 228 T HA 0.471 4.814 4.350 -0.013 0.000 0.282 228 T C -2.550 171.999 174.700 -0.251 0.000 0.993 228 T CA -1.496 60.640 62.100 0.060 0.000 0.967 228 T CB 2.077 70.973 68.868 0.047 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.318 nan 4.420 nan 0.000 0.276 229 P C -1.002 175.979 177.300 -0.531 0.000 1.230 229 P CA -0.389 62.067 63.100 -1.073 0.000 0.776 229 P CB 0.803 31.673 31.700 -1.383 0.000 0.888 230 V N 5.504 125.162 119.914 -0.426 0.000 2.289 230 V HA 0.257 4.369 4.120 -0.013 0.000 0.272 230 V C -2.044 173.920 176.094 -0.217 0.000 1.026 230 V CA -1.924 60.221 62.300 -0.258 0.000 0.807 230 V CB 1.293 33.013 31.823 -0.172 0.000 1.044 230 V HN 0.539 nan 8.190 nan 0.000 0.443 231 P HA 0.263 nan 4.420 nan 0.000 0.280 231 P C 0.405 177.655 177.300 -0.083 0.000 1.244 231 P CA 0.348 63.361 63.100 -0.145 0.000 0.784 231 P CB 1.681 33.293 31.700 -0.147 0.000 0.913 232 G N 2.288 111.056 108.800 -0.054 0.000 2.616 232 G HA2 0.141 4.094 3.960 -0.013 0.000 0.268 232 G HA3 0.141 4.094 3.960 -0.013 0.000 0.268 232 G C -1.211 173.702 174.900 0.022 0.000 1.213 232 G CA -0.583 44.514 45.100 -0.005 0.000 0.926 232 G HN 0.530 nan 8.290 nan 0.000 0.523 233 Y N 0.301 120.564 120.300 -0.062 0.000 2.539 233 Y HA 0.320 4.862 4.550 -0.013 0.000 0.352 233 Y C 1.192 177.055 175.900 -0.061 0.000 1.004 233 Y CA -0.372 57.687 58.100 -0.068 0.000 1.278 233 Y CB 0.226 38.644 38.460 -0.070 0.000 1.136 233 Y HN 0.690 nan 8.280 nan 0.000 0.528 234 R N 2.996 123.152 120.500 -0.574 0.000 3.610 234 R HA -0.315 4.017 4.340 -0.013 0.000 0.274 234 R C -0.057 176.087 176.300 -0.260 0.000 1.123 234 R CA 1.505 57.304 56.100 -0.502 0.000 0.747 234 R CB -1.859 27.960 30.300 -0.803 0.000 1.149 234 R HN 0.952 nan 8.270 nan 0.000 0.471 235 N N -1.634 116.971 118.700 -0.158 0.000 2.170 235 N HA 0.075 4.808 4.740 -0.013 0.000 0.222 235 N C -0.192 175.269 175.510 -0.082 0.000 1.218 235 N CA -0.341 52.652 53.050 -0.095 0.000 0.889 235 N CB 0.570 39.026 38.487 -0.051 0.000 1.083 235 N HN 0.086 nan 8.380 nan 0.000 0.520 236 N N -0.275 118.373 118.700 -0.087 0.000 2.800 236 N HA -0.129 4.603 4.740 -0.013 0.000 0.250 236 N C -1.059 174.408 175.510 -0.071 0.000 1.078 236 N CA 0.568 53.576 53.050 -0.071 0.000 0.804 236 N CB -1.279 37.168 38.487 -0.066 0.000 1.135 236 N HN 0.193 nan 8.380 nan 0.000 0.565 237 V N 1.172 121.047 119.914 -0.066 0.000 2.439 237 V HA 0.474 4.587 4.120 -0.013 0.000 0.282 237 V C 0.493 176.552 176.094 -0.058 0.000 1.039 237 V CA -0.523 61.741 62.300 -0.059 0.000 0.913 237 V CB 2.171 33.982 31.823 -0.020 0.000 0.983 237 V HN -0.045 nan 8.190 nan 0.000 0.460 238 V N 5.488 125.369 119.914 -0.054 0.000 2.398 238 V HA 0.423 4.535 4.120 -0.013 0.000 0.282 238 V C -0.058 176.006 176.094 -0.050 0.000 1.014 238 V CA -0.838 61.399 62.300 -0.105 0.000 0.838 238 V CB 1.392 33.136 31.823 -0.132 0.000 1.018 238 V HN 0.834 nan 8.190 nan 0.000 0.432 239 N N 1.969 120.624 118.700 -0.076 0.000 2.405 239 N HA 0.547 5.280 4.740 -0.013 0.000 0.269 239 N C 0.020 175.511 175.510 -0.030 0.000 1.249 239 N CA -0.218 52.818 53.050 -0.024 0.000 0.974 239 N CB 1.102 39.546 38.487 -0.073 0.000 1.204 239 N HN 0.569 nan 8.380 nan 0.000 0.565 240 T N 0.752 115.320 114.554 0.024 0.000 2.841 240 T HA 0.414 4.756 4.350 -0.013 0.000 0.283 240 T C -0.281 174.411 174.700 -0.013 0.000 1.000 240 T CA -0.511 61.669 62.100 0.134 0.000 0.977 240 T CB 1.043 70.127 68.868 0.360 0.000 0.979 240 T HN 0.309 nan 8.240 nan 0.000 0.446 241 M N 3.720 123.276 119.600 -0.074 0.000 2.072 241 M HA 0.498 4.970 4.480 -0.013 0.000 0.331 241 M C -0.502 175.659 176.300 -0.232 0.000 1.004 241 M CA -0.757 54.408 55.300 -0.226 0.000 0.952 241 M CB 0.692 33.112 32.600 -0.300 0.000 1.511 241 M HN 0.469 nan 8.290 nan 0.000 0.422 242 R N 4.763 125.007 120.500 -0.427 0.000 2.229 242 R HA 0.519 4.851 4.340 -0.013 0.000 0.332 242 R C -1.900 174.103 176.300 -0.495 0.000 0.989 242 R CA -0.570 55.220 56.100 -0.516 0.000 0.842 242 R CB 0.796 30.583 30.300 -0.854 0.000 1.119 242 R HN 0.632 nan 8.270 nan 0.000 0.456 243 L N 5.651 126.700 121.223 -0.290 0.000 2.296 243 L HA 0.456 4.789 4.340 -0.013 0.000 0.286 243 L C -0.976 175.873 176.870 -0.034 0.000 1.023 243 L CA -0.561 54.214 54.840 -0.108 0.000 0.812 243 L CB 1.090 43.167 42.059 0.031 0.000 1.223 243 L HN 0.620 nan 8.230 nan 0.000 0.421 244 W N 2.339 123.769 121.300 0.216 0.000 2.376 244 W HA 0.602 5.255 4.660 -0.013 0.000 0.322 244 W C 0.541 177.299 176.519 0.400 0.000 1.160 244 W CA -0.299 57.207 57.345 0.268 0.000 1.218 244 W CB 1.407 30.900 29.460 0.055 0.000 1.205 244 W HN 0.408 nan 8.180 nan 0.000 0.559 245 S N 1.494 117.631 115.700 0.729 0.000 2.500 245 S HA 0.757 5.220 4.470 -0.013 0.000 0.301 245 S C -0.468 174.473 174.600 0.567 0.000 1.092 245 S CA -0.716 57.803 58.200 0.531 0.000 1.030 245 S CB 0.700 64.172 63.200 0.454 0.000 1.031 245 S HN 0.513 nan 8.310 nan 0.000 0.483 246 A N 4.518 127.502 122.820 0.274 0.000 2.366 246 A HA 0.659 4.971 4.320 -0.013 0.000 0.272 246 A C -0.090 177.582 177.584 0.146 0.000 1.135 246 A CA -0.203 51.897 52.037 0.104 0.000 0.804 246 A CB 0.373 19.197 19.000 -0.294 0.000 1.064 246 A HN 0.635 nan 8.150 nan 0.000 0.499 247 K N 0.891 121.395 120.400 0.173 0.000 2.464 247 K HA 0.616 4.928 4.320 -0.013 0.000 0.253 247 K C -0.726 175.941 176.600 0.111 0.000 0.933 247 K CA -0.451 55.918 56.287 0.137 0.000 0.801 247 K CB 2.325 34.920 32.500 0.159 0.000 1.271 247 K HN 0.841 nan 8.250 nan 0.000 0.430 248 A N 4.025 126.894 122.820 0.083 0.000 2.327 248 A HA 0.518 4.831 4.320 -0.013 0.000 0.283 248 A C -2.200 175.431 177.584 0.078 0.000 1.127 248 A CA -1.211 50.871 52.037 0.075 0.000 0.810 248 A CB -0.071 18.962 19.000 0.056 0.000 1.066 248 A HN 0.339 nan 8.150 nan 0.000 0.492 249 P HA 0.088 nan 4.420 nan 0.000 0.274 249 P C 0.005 177.349 177.300 0.074 0.000 1.231 249 P CA -0.366 62.783 63.100 0.082 0.000 0.790 249 P CB 0.682 32.443 31.700 0.101 0.000 0.951 250 N N 1.132 119.867 118.700 0.057 0.000 2.412 250 N HA -0.084 4.648 4.740 -0.013 0.000 0.184 250 N C 0.522 176.056 175.510 0.039 0.000 1.101 250 N CA 0.345 53.422 53.050 0.046 0.000 0.881 250 N CB -0.357 38.151 38.487 0.036 0.000 0.969 250 N HN 0.408 nan 8.380 nan 0.000 0.459 251 D N 0.782 121.205 120.400 0.038 0.000 2.237 251 D HA -0.093 4.539 4.640 -0.013 0.000 0.267 251 D C 1.595 177.906 176.300 0.017 0.000 1.226 251 D CA 0.019 54.009 54.000 -0.016 0.000 0.947 251 D CB -1.053 39.707 40.800 -0.067 0.000 0.941 251 D HN 0.057 nan 8.370 nan 0.000 0.333 252 F N 0.786 120.755 119.950 0.032 0.000 2.141 252 F HA -0.210 4.309 4.527 -0.013 0.000 0.300 252 F C 1.551 177.376 175.800 0.042 0.000 1.079 252 F CA 1.305 59.330 58.000 0.042 0.000 1.264 252 F CB -0.472 38.553 39.000 0.041 0.000 1.011 252 F HN 0.046 nan 8.300 nan 0.000 0.487 253 N N 0.780 119.613 118.700 0.222 0.000 3.115 253 N HA 0.065 4.798 4.740 -0.013 0.000 0.305 253 N C 0.584 176.147 175.510 0.088 0.000 1.305 253 N CA 0.114 53.242 53.050 0.131 0.000 1.154 253 N CB 0.026 38.569 38.487 0.094 0.000 1.454 253 N HN 0.142 nan 8.380 nan 0.000 0.551 254 L N -0.593 120.694 121.223 0.107 0.000 1.281 254 L HA -0.118 4.215 4.340 -0.013 0.000 0.103 254 L C 1.323 178.254 176.870 0.101 0.000 1.394 254 L CA 0.862 55.751 54.840 0.082 0.000 1.209 254 L CB -0.959 41.138 42.059 0.063 0.000 2.477 254 L HN 0.284 nan 8.230 nan 0.000 0.465 255 K N 0.354 120.788 120.400 0.056 0.000 2.366 255 K HA -0.033 4.279 4.320 -0.013 0.000 0.198 255 K C 0.477 177.113 176.600 0.060 0.000 1.044 255 K CA 1.018 57.289 56.287 -0.028 0.000 0.973 255 K CB -0.036 32.329 32.500 -0.224 0.000 0.767 255 K HN 0.154 nan 8.250 nan 0.000 0.475 256 D N 2.054 122.604 120.400 0.249 0.000 2.398 256 D HA -0.013 4.620 4.640 -0.013 0.000 0.250 256 D C -0.250 176.267 176.300 0.362 0.000 1.287 256 D CA -0.220 54.030 54.000 0.417 0.000 0.992 256 D CB -0.077 41.010 40.800 0.479 0.000 1.071 256 D HN 0.202 nan 8.370 nan 0.000 0.514 257 F N 1.498 121.491 119.950 0.072 0.000 2.373 257 F HA 0.339 4.858 4.527 -0.013 0.000 0.302 257 F C 0.529 176.359 175.800 0.050 0.000 1.247 257 F CA -1.916 56.115 58.000 0.052 0.000 1.169 257 F CB -0.259 38.758 39.000 0.029 0.000 1.309 257 F HN 0.365 nan 8.300 nan 0.000 0.537 258 N N -0.516 118.060 118.700 -0.206 0.000 3.506 258 N HA 0.063 4.796 4.740 -0.013 0.000 0.257 258 N C -1.736 173.710 175.510 -0.107 0.000 1.059 258 N CA 0.479 53.351 53.050 -0.298 0.000 0.672 258 N CB -0.922 37.244 38.487 -0.536 0.000 1.178 258 N HN 0.834 nan 8.380 nan 0.000 0.593 259 V N -1.592 118.309 119.914 -0.020 0.000 3.576 259 V HA -0.025 4.088 4.120 -0.013 0.000 0.511 259 V C 1.302 177.403 176.094 0.013 0.000 0.682 259 V CA 1.560 63.862 62.300 0.004 0.000 2.064 259 V CB -0.902 30.913 31.823 -0.013 0.000 2.487 259 V HN 0.981 nan 8.190 nan 0.000 0.511 260 G N 1.150 109.966 108.800 0.028 0.000 3.758 260 G HA2 0.677 4.630 3.960 -0.013 0.000 0.206 260 G HA3 0.677 4.630 3.960 -0.013 0.000 0.206 260 G C 0.860 175.780 174.900 0.033 0.000 0.946 260 G CA 1.219 46.334 45.100 0.025 0.000 0.885 260 G HN 2.983 nan 8.290 nan 0.000 0.392 261 G N -1.009 107.825 108.800 0.057 0.000 3.014 261 G HA2 0.274 4.226 3.960 -0.013 0.000 0.683 261 G HA3 0.274 4.226 3.960 -0.013 0.000 0.683 261 G C -0.095 174.861 174.900 0.093 0.000 1.271 261 G CA 0.202 45.346 45.100 0.073 0.000 0.843 261 G HN 1.383 nan 8.290 nan 0.000 0.612 262 Y N 3.293 123.609 120.300 0.026 0.000 2.200 262 Y HA 0.010 4.553 4.550 -0.013 0.000 0.290 262 Y C 2.473 178.388 175.900 0.024 0.000 1.137 262 Y CA 2.120 60.237 58.100 0.028 0.000 1.163 262 Y CB 0.015 38.490 38.460 0.024 0.000 0.988 262 Y HN 0.492 nan 8.280 nan 0.000 0.518 263 I N 0.491 121.004 120.570 -0.095 0.000 2.142 263 I HA -0.286 3.876 4.170 -0.013 0.000 0.240 263 I C 2.384 178.405 176.117 -0.159 0.000 1.078 263 I CA 1.440 62.638 61.300 -0.170 0.000 1.343 263 I CB -1.334 36.671 38.000 0.007 0.000 1.046 263 I HN 0.348 nan 8.210 nan 0.000 0.405 264 Q N 0.655 120.411 119.800 -0.073 0.000 2.135 264 Q HA -0.156 4.176 4.340 -0.013 0.000 0.204 264 Q C 2.348 178.306 176.000 -0.070 0.000 0.981 264 Q CA 1.965 57.737 55.803 -0.052 0.000 0.856 264 Q CB -0.342 28.386 28.738 -0.017 0.000 0.902 264 Q HN 0.548 nan 8.270 nan 0.000 0.425 265 A N -0.208 122.558 122.820 -0.089 0.000 1.908 265 A HA -0.139 4.173 4.320 -0.013 0.000 0.218 265 A C 2.388 179.904 177.584 -0.114 0.000 1.181 265 A CA 1.679 53.671 52.037 -0.075 0.000 0.627 265 A CB -0.645 18.324 19.000 -0.052 0.000 0.818 265 A HN 0.237 nan 8.150 nan 0.000 0.445 266 V N 0.125 119.905 119.914 -0.223 0.000 2.427 266 V HA -0.202 3.911 4.120 -0.013 0.000 0.248 266 V C 2.471 178.502 176.094 -0.105 0.000 1.051 266 V CA 1.727 63.910 62.300 -0.196 0.000 1.048 266 V CB -0.638 30.991 31.823 -0.323 0.000 0.666 266 V HN 0.563 nan 8.190 nan 0.000 0.456 267 L N -0.403 120.763 121.223 -0.094 0.000 2.217 267 L HA -0.097 4.235 4.340 -0.013 0.000 0.211 267 L C 1.908 178.760 176.870 -0.030 0.000 1.107 267 L CA 1.074 55.884 54.840 -0.050 0.000 0.783 267 L CB -0.604 41.430 42.059 -0.042 0.000 0.919 267 L HN 0.314 nan 8.230 nan 0.000 0.442 268 D N 0.109 120.490 120.400 -0.032 0.000 2.378 268 D HA -0.061 4.571 4.640 -0.013 0.000 0.227 268 D C 2.118 178.414 176.300 -0.006 0.000 1.012 268 D CA 0.435 54.425 54.000 -0.016 0.000 0.905 268 D CB 0.061 40.853 40.800 -0.013 0.000 0.895 268 D HN 0.219 nan 8.370 nan 0.000 0.532 269 R N 0.417 120.912 120.500 -0.007 0.000 2.152 269 R HA 0.012 4.345 4.340 -0.013 0.000 0.232 269 R C 0.390 176.697 176.300 0.011 0.000 1.117 269 R CA 0.525 56.630 56.100 0.007 0.000 0.981 269 R CB -0.043 30.261 30.300 0.007 0.000 0.870 269 R HN 0.068 nan 8.270 nan 0.000 0.451 270 N N 1.093 119.798 118.700 0.008 0.000 3.050 270 N HA 0.016 4.748 4.740 -0.013 0.000 0.289 270 N C 0.027 175.542 175.510 0.008 0.000 1.209 270 N CA 0.453 53.512 53.050 0.015 0.000 1.154 270 N CB 1.134 39.632 38.487 0.019 0.000 1.444 270 N HN 0.108 nan 8.380 nan 0.000 0.529 271 L N -0.422 120.802 121.223 0.002 0.000 3.188 271 L HA 0.215 4.548 4.340 -0.013 0.000 0.327 271 L C 1.607 178.464 176.870 -0.022 0.000 1.009 271 L CA 0.478 55.314 54.840 -0.006 0.000 1.373 271 L CB -0.235 41.821 42.059 -0.006 0.000 2.331 271 L HN 0.244 nan 8.230 nan 0.000 0.594 272 A N -0.839 121.972 122.820 -0.016 0.000 2.095 272 A HA 0.114 4.427 4.320 -0.013 0.000 0.212 272 A C 1.674 179.226 177.584 -0.054 0.000 1.162 272 A CA 0.786 52.803 52.037 -0.034 0.000 0.753 272 A CB -0.108 18.900 19.000 0.013 0.000 0.840 272 A HN 0.402 nan 8.150 nan 0.000 0.468 273 E N 0.165 120.353 120.200 -0.020 0.000 2.478 273 E HA -0.012 4.331 4.350 -0.013 0.000 0.194 273 E C 0.742 177.336 176.600 -0.011 0.000 1.045 273 E CA -0.137 56.255 56.400 -0.013 0.000 0.868 273 E CB 0.002 29.719 29.700 0.028 0.000 0.885 273 E HN 0.388 nan 8.360 nan 0.000 0.505 274 N N 0.854 119.546 118.700 -0.012 0.000 2.512 274 N HA -0.032 4.701 4.740 -0.013 0.000 0.183 274 N C 1.504 177.017 175.510 0.004 0.000 1.073 274 N CA 0.490 53.551 53.050 0.018 0.000 0.911 274 N CB 0.081 38.578 38.487 0.016 0.000 0.964 274 N HN 0.240 nan 8.380 nan 0.000 0.447 275 I N 0.202 120.718 120.570 -0.090 0.000 2.264 275 I HA -0.226 3.937 4.170 -0.013 0.000 0.248 275 I C 1.328 177.404 176.117 -0.068 0.000 1.111 275 I CA 1.161 62.372 61.300 -0.148 0.000 1.382 275 I CB -0.062 37.689 38.000 -0.416 0.000 1.060 275 I HN 0.116 nan 8.210 nan 0.000 0.418 276 S N -0.711 114.952 115.700 -0.061 0.000 2.574 276 S HA 0.192 4.655 4.470 -0.013 0.000 0.242 276 S C 1.447 176.178 174.600 0.219 0.000 0.982 276 S CA -0.601 57.644 58.200 0.075 0.000 0.977 276 S CB 0.207 63.431 63.200 0.040 0.000 0.814 276 S HN 0.229 nan 8.310 nan 0.000 0.464 277 R N 0.978 121.612 120.500 0.223 0.000 2.075 277 R HA 0.285 4.618 4.340 -0.013 0.000 0.226 277 R C 0.397 176.947 176.300 0.417 0.000 1.114 277 R CA 1.111 57.386 56.100 0.292 0.000 0.972 277 R CB -0.070 30.376 30.300 0.243 0.000 0.869 277 R HN 0.387 nan 8.270 nan 0.000 0.437 278 V N 0.333 120.446 119.914 0.331 0.000 2.971 278 V HA 0.379 4.491 4.120 -0.013 0.000 0.309 278 V C -1.568 174.474 176.094 -0.088 0.000 1.130 278 V CA -1.321 61.092 62.300 0.188 0.000 0.964 278 V CB 1.857 33.722 31.823 0.070 0.000 1.029 278 V HN 0.171 nan 8.190 nan 0.000 0.427 279 L N 5.963 126.897 121.223 -0.482 0.000 2.349 279 L HA 0.539 4.871 4.340 -0.013 0.000 0.275 279 L C -0.983 175.706 176.870 -0.301 0.000 1.115 279 L CA 0.280 54.627 54.840 -0.821 0.000 0.820 279 L CB 0.897 42.348 42.059 -1.014 0.000 1.135 279 L HN 0.690 nan 8.230 nan 0.000 0.445 280 Y N 6.159 126.371 120.300 -0.147 0.000 2.496 280 Y HA 0.233 4.775 4.550 -0.013 0.000 0.334 280 Y C -1.409 174.484 175.900 -0.011 0.000 1.080 280 Y CA -1.326 56.762 58.100 -0.021 0.000 1.355 280 Y CB 0.486 38.961 38.460 0.026 0.000 1.193 280 Y HN 0.560 nan 8.280 nan 0.000 0.523 281 P HA -0.016 nan 4.420 nan 0.000 0.258 281 P C -0.894 176.530 177.300 0.207 0.000 1.559 281 P CA 0.227 63.429 63.100 0.170 0.000 0.855 281 P CB -0.011 31.878 31.700 0.316 0.000 1.594 282 N N 1.293 120.127 118.700 0.223 0.000 2.426 282 N HA 0.133 4.866 4.740 -0.013 0.000 0.275 282 N C -0.457 175.203 175.510 0.250 0.000 1.019 282 N CA 0.171 53.374 53.050 0.255 0.000 0.941 282 N CB 1.252 39.927 38.487 0.314 0.000 1.123 282 N HN 0.129 nan 8.380 nan 0.000 0.486 283 D N 2.013 122.593 120.400 0.299 0.000 2.344 283 D HA 0.131 4.763 4.640 -0.013 0.000 0.239 283 D C -0.263 176.335 176.300 0.497 0.000 1.064 283 D CA -0.200 54.011 54.000 0.352 0.000 0.829 283 D CB 0.473 41.492 40.800 0.364 0.000 1.129 283 D HN 0.354 nan 8.370 nan 0.000 0.506 284 N N 2.713 121.624 118.700 0.351 0.000 2.727 284 N HA -0.256 4.476 4.740 -0.013 0.000 0.249 284 N C -1.165 174.584 175.510 0.398 0.000 1.048 284 N CA 0.765 53.987 53.050 0.286 0.000 0.714 284 N CB -1.010 37.560 38.487 0.139 0.000 0.959 284 N HN 0.420 nan 8.380 nan 0.000 0.544 285 F N 0.394 120.456 119.950 0.187 0.000 2.615 285 F HA 0.472 4.991 4.527 -0.013 0.000 0.312 285 F C -1.356 174.531 175.800 0.146 0.000 1.119 285 F CA -1.123 56.957 58.000 0.133 0.000 0.979 285 F CB 1.055 40.097 39.000 0.070 0.000 1.266 285 F HN -0.036 nan 8.300 nan 0.000 0.444 286 F N 5.617 125.128 119.950 -0.731 0.000 2.427 286 F HA 0.521 5.041 4.527 -0.013 0.000 0.346 286 F C -0.615 174.811 175.800 -0.623 0.000 1.120 286 F CA -0.167 57.509 58.000 -0.540 0.000 1.033 286 F CB 0.898 39.612 39.000 -0.477 0.000 1.126 286 F HN 0.487 nan 8.300 nan 0.000 0.462 287 E N 3.922 123.514 120.200 -1.013 0.000 2.145 287 E HA 0.249 4.591 4.350 -0.013 0.000 0.262 287 E C -0.135 175.721 176.600 -1.241 0.000 0.883 287 E CA -0.695 55.195 56.400 -0.850 0.000 0.748 287 E CB 1.604 31.150 29.700 -0.257 0.000 1.140 287 E HN 0.943 nan 8.360 nan 0.000 0.417 288 G N 4.586 112.634 108.800 -1.254 0.000 3.316 288 G HA2 0.012 3.964 3.960 -0.013 0.000 0.255 288 G HA3 0.012 3.964 3.960 -0.013 0.000 0.255 288 G C 0.143 175.008 174.900 -0.057 0.000 0.880 288 G CA -0.188 44.396 45.100 -0.860 0.000 1.956 288 G HN 0.133 nan 8.290 nan 0.000 0.634 289 K N 0.352 120.757 120.400 0.008 0.000 2.118 289 K HA 0.198 4.510 4.320 -0.013 0.000 0.267 289 K C 0.983 177.716 176.600 0.222 0.000 0.991 289 K CA -0.732 55.633 56.287 0.129 0.000 0.916 289 K CB 2.116 34.682 32.500 0.110 0.000 1.041 289 K HN 0.402 nan 8.250 nan 0.000 0.455 290 E N 1.378 121.669 120.200 0.152 0.000 2.077 290 E HA -0.194 4.148 4.350 -0.013 0.000 0.193 290 E C 1.505 178.129 176.600 0.039 0.000 0.989 290 E CA 0.838 57.275 56.400 0.063 0.000 0.800 290 E CB 0.151 29.892 29.700 0.067 0.000 0.746 290 E HN 0.384 nan 8.360 nan 0.000 0.452 291 L N 1.432 122.727 121.223 0.121 0.000 2.079 291 L HA -0.190 4.143 4.340 -0.013 0.000 0.210 291 L C 2.381 179.368 176.870 0.195 0.000 1.081 291 L CA 1.632 56.569 54.840 0.163 0.000 0.752 291 L CB -0.551 41.674 42.059 0.277 0.000 0.896 291 L HN 0.034 nan 8.230 nan 0.000 0.433 292 R N -0.504 120.071 120.500 0.126 0.000 2.073 292 R HA -0.121 4.211 4.340 -0.013 0.000 0.234 292 R C 2.233 178.594 176.300 0.101 0.000 1.134 292 R CA 1.737 57.850 56.100 0.021 0.000 0.952 292 R CB -1.286 28.855 30.300 -0.264 0.000 0.850 292 R HN 0.422 nan 8.270 nan 0.000 0.433 293 L N 1.496 122.678 121.223 -0.069 0.000 2.079 293 L HA -0.144 4.188 4.340 -0.013 0.000 0.210 293 L C 1.911 178.724 176.870 -0.095 0.000 1.081 293 L CA 1.908 56.506 54.840 -0.404 0.000 0.752 293 L CB -0.367 41.100 42.059 -0.987 0.000 0.896 293 L HN 0.060 nan 8.230 nan 0.000 0.433 294 K N -1.135 119.257 120.400 -0.014 0.000 2.097 294 K HA -0.153 4.159 4.320 -0.013 0.000 0.205 294 K C 2.103 178.853 176.600 0.250 0.000 1.050 294 K CA 1.554 57.898 56.287 0.094 0.000 0.938 294 K CB -0.111 32.290 32.500 -0.165 0.000 0.718 294 K HN 0.498 nan 8.250 nan 0.000 0.442 295 Q N 0.435 120.360 119.800 0.209 0.000 2.084 295 Q HA -0.182 4.151 4.340 -0.013 0.000 0.202 295 Q C 1.853 178.052 176.000 0.331 0.000 0.978 295 Q CA 1.366 57.347 55.803 0.297 0.000 0.844 295 Q CB 0.030 28.969 28.738 0.335 0.000 0.898 295 Q HN 0.374 nan 8.270 nan 0.000 0.426 296 E N -0.192 120.160 120.200 0.253 0.000 2.072 296 E HA -0.204 4.138 4.350 -0.013 0.000 0.191 296 E C 1.695 178.407 176.600 0.187 0.000 0.985 296 E CA 0.990 57.522 56.400 0.219 0.000 0.801 296 E CB -0.099 29.715 29.700 0.189 0.000 0.750 296 E HN 0.318 nan 8.360 nan 0.000 0.452 297 Y N 0.280 120.631 120.300 0.086 0.000 2.263 297 Y HA -0.181 4.362 4.550 -0.013 0.000 0.292 297 Y C 1.904 177.844 175.900 0.067 0.000 1.130 297 Y CA 0.868 58.973 58.100 0.009 0.000 1.179 297 Y CB -0.316 38.111 38.460 -0.055 0.000 0.998 297 Y HN 0.014 nan 8.280 nan 0.000 0.532 298 F N -0.249 119.682 119.950 -0.032 0.000 2.043 298 F HA -0.251 4.269 4.527 -0.013 0.000 0.297 298 F C 2.483 178.126 175.800 -0.262 0.000 1.121 298 F CA 2.099 60.041 58.000 -0.096 0.000 1.199 298 F CB -1.131 37.959 39.000 0.150 0.000 0.968 298 F HN -0.087 nan 8.300 nan 0.000 0.478 299 V N -0.379 119.462 119.914 -0.121 0.000 2.407 299 V HA -0.216 3.896 4.120 -0.013 0.000 0.248 299 V C 2.179 178.107 176.094 -0.277 0.000 1.055 299 V CA 1.904 64.096 62.300 -0.180 0.000 1.049 299 V CB -0.381 31.553 31.823 0.184 0.000 0.662 299 V HN 0.295 nan 8.190 nan 0.000 0.455 300 V N 0.203 119.960 119.914 -0.261 0.000 2.283 300 V HA -0.142 3.970 4.120 -0.013 0.000 0.243 300 V C 2.774 178.609 176.094 -0.430 0.000 1.039 300 V CA 2.023 64.164 62.300 -0.265 0.000 1.016 300 V CB -1.021 30.706 31.823 -0.160 0.000 0.650 300 V HN 0.628 nan 8.190 nan 0.000 0.449 301 A N -0.068 122.331 122.820 -0.702 0.000 1.877 301 A HA -0.145 4.167 4.320 -0.013 0.000 0.216 301 A C 2.402 179.625 177.584 -0.601 0.000 1.186 301 A CA 2.264 53.893 52.037 -0.680 0.000 0.620 301 A CB -0.854 17.525 19.000 -1.034 0.000 0.822 301 A HN 0.571 nan 8.150 nan 0.000 0.443 302 A N -1.016 121.284 122.820 -0.867 0.000 1.877 302 A HA -0.078 4.234 4.320 -0.013 0.000 0.216 302 A C 2.325 179.432 177.584 -0.795 0.000 1.186 302 A CA 2.328 53.676 52.037 -1.149 0.000 0.620 302 A CB -1.372 16.288 19.000 -2.234 0.000 0.822 302 A HN 0.437 nan 8.150 nan 0.000 0.443 303 T N 0.506 114.717 114.554 -0.573 0.000 2.684 303 T HA -0.127 4.215 4.350 -0.013 0.000 0.267 303 T C 1.830 176.267 174.700 -0.438 0.000 1.036 303 T CA 1.506 63.396 62.100 -0.350 0.000 1.148 303 T CB -0.417 68.222 68.868 -0.381 0.000 0.863 303 T HN 0.329 nan 8.240 nan 0.000 0.436 304 L N 0.644 121.650 121.223 -0.361 0.000 2.083 304 L HA -0.174 4.159 4.340 -0.013 0.000 0.209 304 L C 2.934 179.685 176.870 -0.198 0.000 1.083 304 L CA 1.420 56.096 54.840 -0.273 0.000 0.752 304 L CB -0.480 41.459 42.059 -0.200 0.000 0.899 304 L HN 0.358 nan 8.230 nan 0.000 0.433 305 Q N -0.709 118.979 119.800 -0.187 0.000 2.124 305 Q HA -0.246 4.087 4.340 -0.013 0.000 0.202 305 Q C 1.730 177.697 176.000 -0.054 0.000 0.977 305 Q CA 1.657 57.400 55.803 -0.100 0.000 0.850 305 Q CB -0.089 28.584 28.738 -0.108 0.000 0.901 305 Q HN 0.406 nan 8.270 nan 0.000 0.429 306 D N 0.435 120.796 120.400 -0.065 0.000 2.144 306 D HA -0.081 4.551 4.640 -0.013 0.000 0.200 306 D C 1.623 177.859 176.300 -0.107 0.000 0.978 306 D CA 0.796 54.795 54.000 -0.003 0.000 0.833 306 D CB 0.041 40.936 40.800 0.158 0.000 0.961 306 D HN 0.164 nan 8.370 nan 0.000 0.470 307 I N -0.019 120.382 120.570 -0.280 0.000 2.202 307 I HA -0.209 3.953 4.170 -0.013 0.000 0.242 307 I C 2.247 178.371 176.117 0.012 0.000 1.091 307 I CA 0.685 61.770 61.300 -0.359 0.000 1.368 307 I CB -0.070 37.563 38.000 -0.612 0.000 1.058 307 I HN 0.017 nan 8.210 nan 0.000 0.410 308 I N 0.342 120.970 120.570 0.097 0.000 2.252 308 I HA -0.291 3.872 4.170 -0.013 0.000 0.245 308 I C 2.773 179.036 176.117 0.243 0.000 1.102 308 I CA 1.118 62.588 61.300 0.282 0.000 1.385 308 I CB -0.357 37.760 38.000 0.194 0.000 1.064 308 I HN 0.191 nan 8.210 nan 0.000 0.414 309 R N 1.136 121.710 120.500 0.124 0.000 2.083 309 R HA -0.227 4.106 4.340 -0.013 0.000 0.237 309 R C 2.461 178.819 176.300 0.098 0.000 1.137 309 R CA 1.744 57.900 56.100 0.095 0.000 0.951 309 R CB -0.282 30.052 30.300 0.057 0.000 0.851 309 R HN 0.205 nan 8.270 nan 0.000 0.434 310 R N -0.691 119.870 120.500 0.101 0.000 2.096 310 R HA -0.170 4.163 4.340 -0.013 0.000 0.235 310 R C 2.186 178.577 176.300 0.152 0.000 1.127 310 R CA 1.805 57.977 56.100 0.120 0.000 0.968 310 R CB -0.364 30.007 30.300 0.119 0.000 0.861 310 R HN 0.285 nan 8.270 nan 0.000 0.440 311 F N 1.597 121.570 119.950 0.037 0.000 2.186 311 F HA -0.109 4.410 4.527 -0.013 0.000 0.299 311 F C 1.690 177.440 175.800 -0.083 0.000 1.090 311 F CA 1.429 59.409 58.000 -0.033 0.000 1.307 311 F CB 0.004 39.026 39.000 0.037 0.000 1.019 311 F HN -0.169 nan 8.300 nan 0.000 0.489 312 K N -0.101 120.210 120.400 -0.148 0.000 2.209 312 K HA -0.100 4.213 4.320 -0.013 0.000 0.204 312 K C 2.143 178.645 176.600 -0.162 0.000 1.048 312 K CA 1.344 57.489 56.287 -0.236 0.000 0.940 312 K CB -0.205 32.284 32.500 -0.018 0.000 0.729 312 K HN 0.273 nan 8.250 nan 0.000 0.451 313 S N 0.251 115.917 115.700 -0.057 0.000 2.315 313 S HA -0.045 4.418 4.470 -0.013 0.000 0.211 313 S C 1.324 175.936 174.600 0.021 0.000 1.029 313 S CA 0.313 58.532 58.200 0.031 0.000 0.956 313 S CB -0.089 63.190 63.200 0.132 0.000 0.918 313 S HN 0.253 nan 8.310 nan 0.000 0.470 314 S N 0.790 116.512 115.700 0.037 0.000 4.134 314 S HA -0.298 4.164 4.470 -0.013 0.000 0.538 314 S C 1.034 175.644 174.600 0.018 0.000 1.224 314 S CA 2.150 60.383 58.200 0.054 0.000 3.613 314 S CB -0.632 62.624 63.200 0.093 0.000 2.065 314 S HN 0.483 nan 8.310 nan 0.000 0.493 315 K N -0.531 119.932 120.400 0.105 0.000 2.483 315 K HA 0.469 4.781 4.320 -0.013 0.000 0.206 315 K C 1.042 177.540 176.600 -0.170 0.000 1.086 315 K CA 0.024 56.262 56.287 -0.081 0.000 1.052 315 K CB 0.211 32.614 32.500 -0.163 0.000 0.904 315 K HN 0.409 nan 8.250 nan 0.000 0.557 316 F N -0.996 118.824 119.950 -0.217 0.000 2.446 316 F HA 0.184 4.703 4.527 -0.013 0.000 0.292 316 F C 1.777 177.462 175.800 -0.191 0.000 1.096 316 F CA 0.051 57.908 58.000 -0.238 0.000 1.438 316 F CB 0.395 39.140 39.000 -0.426 0.000 1.107 316 F HN 0.029 nan 8.300 nan 0.000 0.546 317 G N -1.343 107.473 108.800 0.027 0.000 3.471 317 G HA2 0.219 4.171 3.960 -0.013 0.000 0.254 317 G HA3 0.219 4.171 3.960 -0.013 0.000 0.254 317 G C 0.139 175.040 174.900 0.002 0.000 1.199 317 G CA 0.247 45.347 45.100 0.000 0.000 1.683 317 G HN 0.429 nan 8.290 nan 0.000 0.625 318 C N -1.372 117.915 119.300 -0.023 0.000 3.692 318 C HA 0.348 4.801 4.460 -0.013 0.000 0.448 318 C C 1.282 176.240 174.990 -0.053 0.000 1.278 318 C CA 0.793 59.790 59.018 -0.035 0.000 2.229 318 C CB 0.465 28.173 27.740 -0.054 0.000 2.815 318 C HN 0.599 nan 8.230 nan 0.000 0.440 319 R N 0.983 121.427 120.500 -0.093 0.000 3.342 319 R HA 0.360 4.692 4.340 -0.013 0.000 0.093 319 R C -0.266 175.932 176.300 -0.170 0.000 0.672 319 R CA 1.020 57.057 56.100 -0.105 0.000 0.495 319 R CB -1.035 29.208 30.300 -0.095 0.000 0.508 319 R HN 0.280 nan 8.270 nan 0.000 0.335 320 D N -0.205 120.058 120.400 -0.229 0.000 3.455 320 D HA -0.140 4.492 4.640 -0.013 0.000 0.216 320 D C -1.580 174.614 176.300 -0.176 0.000 1.510 320 D CA 1.552 55.360 54.000 -0.320 0.000 1.128 320 D CB -1.266 39.120 40.800 -0.690 0.000 0.680 320 D HN 0.405 nan 8.370 nan 0.000 0.828 321 P HA 0.041 nan 4.420 nan 0.000 0.222 321 P C 0.387 177.671 177.300 -0.026 0.000 1.147 321 P CA 0.931 64.001 63.100 -0.050 0.000 0.790 321 P CB 0.254 31.953 31.700 -0.001 0.000 0.780 322 V N -0.569 119.330 119.914 -0.025 0.000 3.559 322 V HA -0.202 3.911 4.120 -0.013 0.000 0.476 322 V C -0.316 175.791 176.094 0.022 0.000 0.682 322 V CA 1.113 63.410 62.300 -0.005 0.000 1.988 322 V CB -1.273 30.541 31.823 -0.015 0.000 2.423 322 V HN 0.572 nan 8.190 nan 0.000 0.500 323 R N 2.856 123.379 120.500 0.038 0.000 7.755 323 R HA 0.041 4.373 4.340 -0.013 0.000 0.258 323 R C -0.027 176.314 176.300 0.068 0.000 0.806 323 R CA 0.479 56.612 56.100 0.054 0.000 1.918 323 R CB -0.140 30.195 30.300 0.058 0.000 1.192 323 R HN 0.771 nan 8.270 nan 0.000 0.923 324 T N 2.941 117.529 114.554 0.058 0.000 3.057 324 T HA -0.017 4.325 4.350 -0.013 0.000 0.232 324 T C 0.224 174.951 174.700 0.045 0.000 1.018 324 T CA 0.319 62.423 62.100 0.006 0.000 1.506 324 T CB -0.797 68.101 68.868 0.049 0.000 1.063 324 T HN 0.348 nan 8.240 nan 0.000 0.613 325 N N 1.347 120.089 118.700 0.069 0.000 2.420 325 N HA 0.283 5.016 4.740 -0.013 0.000 0.249 325 N C 0.125 175.696 175.510 0.102 0.000 1.033 325 N CA -0.507 52.628 53.050 0.141 0.000 0.944 325 N CB 0.427 39.016 38.487 0.170 0.000 1.113 325 N HN 0.389 nan 8.380 nan 0.000 0.502 326 F N 0.700 120.733 119.950 0.138 0.000 2.769 326 F HA 0.046 4.566 4.527 -0.013 0.000 0.304 326 F C 1.495 177.330 175.800 0.058 0.000 1.158 326 F CA 0.152 58.191 58.000 0.065 0.000 1.398 326 F CB 0.173 39.097 39.000 -0.128 0.000 1.094 326 F HN 0.567 nan 8.300 nan 0.000 0.553 327 D N 0.143 120.671 120.400 0.213 0.000 2.219 327 D HA -0.099 4.533 4.640 -0.013 0.000 0.205 327 D C 2.136 178.534 176.300 0.162 0.000 0.970 327 D CA 1.095 55.194 54.000 0.165 0.000 0.851 327 D CB 0.159 41.047 40.800 0.147 0.000 0.943 327 D HN 0.328 nan 8.370 nan 0.000 0.488 328 A N -0.047 122.902 122.820 0.216 0.000 2.275 328 A HA 0.063 4.376 4.320 -0.013 0.000 0.212 328 A C 1.630 179.256 177.584 0.069 0.000 1.201 328 A CA -0.328 51.846 52.037 0.229 0.000 0.843 328 A CB -0.607 18.692 19.000 0.497 0.000 0.873 328 A HN 0.128 nan 8.150 nan 0.000 0.492 329 F N 1.940 121.713 119.950 -0.295 0.000 2.063 329 F HA -0.169 4.350 4.527 -0.012 0.000 0.298 329 F C -0.728 174.881 175.800 -0.319 0.000 1.109 329 F CA 2.642 60.234 58.000 -0.681 0.000 1.212 329 F CB -0.553 38.135 39.000 -0.520 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.110 nan 4.420 nan 0.000 0.225 330 P C 0.630 177.865 177.300 -0.109 0.000 1.148 330 P CA 1.557 64.589 63.100 -0.113 0.000 0.779 330 P CB -0.072 31.608 31.700 -0.032 0.000 0.780 331 D N -1.192 119.172 120.400 -0.060 0.000 2.323 331 D HA -0.016 4.616 4.640 -0.013 0.000 0.209 331 D C 1.589 177.881 176.300 -0.013 0.000 0.973 331 D CA 0.842 54.839 54.000 -0.004 0.000 0.874 331 D CB 0.076 40.918 40.800 0.070 0.000 0.930 331 D HN 0.105 nan 8.370 nan 0.000 0.521 332 K N -0.140 120.205 120.400 -0.091 0.000 2.391 332 K HA 0.216 4.529 4.320 -0.013 0.000 0.197 332 K C 0.028 176.509 176.600 -0.199 0.000 1.087 332 K CA 0.117 56.361 56.287 -0.071 0.000 1.012 332 K CB 2.096 34.638 32.500 0.070 0.000 0.925 332 K HN -0.051 nan 8.250 nan 0.000 0.547 333 V N 0.814 120.496 119.914 -0.385 0.000 2.735 333 V HA 0.704 4.817 4.120 -0.013 0.000 0.310 333 V C -1.122 174.835 176.094 -0.228 0.000 1.061 333 V CA -1.244 60.824 62.300 -0.387 0.000 0.913 333 V CB 1.906 33.178 31.823 -0.918 0.000 1.005 333 V HN 0.111 nan 8.190 nan 0.000 0.428 334 A N 4.904 127.660 122.820 -0.106 0.000 2.402 334 A HA 0.877 5.190 4.320 -0.013 0.000 0.291 334 A C -1.092 176.489 177.584 -0.005 0.000 1.051 334 A CA -0.410 51.602 52.037 -0.041 0.000 0.716 334 A CB 1.222 20.167 19.000 -0.093 0.000 1.223 334 A HN 1.248 nan 8.150 nan 0.000 0.425 335 I N 0.548 121.166 120.570 0.079 0.000 2.406 335 I HA 0.740 4.902 4.170 -0.013 0.000 0.290 335 I C -0.627 175.569 176.117 0.132 0.000 0.999 335 I CA -0.468 60.897 61.300 0.108 0.000 1.124 335 I CB 1.894 39.942 38.000 0.080 0.000 1.289 335 I HN 0.518 nan 8.210 nan 0.000 0.441 336 Q N 5.843 125.722 119.800 0.132 0.000 2.290 336 Q HA 0.512 4.844 4.340 -0.013 0.000 0.259 336 Q C -1.614 174.395 176.000 0.015 0.000 0.941 336 Q CA -0.474 55.442 55.803 0.188 0.000 0.912 336 Q CB 1.507 30.467 28.738 0.370 0.000 1.244 336 Q HN 0.766 nan 8.270 nan 0.000 0.441 337 L N 4.370 125.640 121.223 0.078 0.000 2.268 337 L HA 0.305 4.637 4.340 -0.013 0.000 0.289 337 L C -0.219 176.689 176.870 0.062 0.000 1.064 337 L CA -0.144 54.733 54.840 0.062 0.000 0.824 337 L CB 0.327 42.468 42.059 0.137 0.000 1.202 337 L HN 0.602 nan 8.230 nan 0.000 0.433 338 N N 4.121 122.771 118.700 -0.084 0.000 2.466 338 N HA 0.094 4.827 4.740 -0.013 0.000 0.263 338 N C -0.016 175.527 175.510 0.055 0.000 1.178 338 N CA 0.570 53.618 53.050 -0.004 0.000 0.983 338 N CB -0.215 38.173 38.487 -0.165 0.000 1.331 338 N HN 0.566 nan 8.380 nan 0.000 0.500 339 D N -0.288 120.241 120.400 0.216 0.000 4.259 339 D HA -0.221 4.411 4.640 -0.013 0.000 0.290 339 D C 0.368 176.756 176.300 0.147 0.000 2.199 339 D CA 1.543 55.649 54.000 0.177 0.000 1.194 339 D CB -0.667 39.963 40.800 -0.282 0.000 1.003 339 D HN 0.471 nan 8.370 nan 0.000 1.204 340 T N -2.393 112.160 114.554 -0.002 0.000 3.107 340 T HA 0.131 4.474 4.350 -0.013 0.000 0.249 340 T C 1.656 176.409 174.700 0.088 0.000 1.096 340 T CA 1.488 63.569 62.100 -0.032 0.000 1.012 340 T CB -0.512 68.302 68.868 -0.089 0.000 0.977 340 T HN 0.503 nan 8.240 nan 0.000 0.527 341 H N 2.608 121.757 119.070 0.133 0.000 2.319 341 H HA -0.007 4.541 4.556 -0.013 0.000 0.297 341 H C -0.910 174.503 175.328 0.142 0.000 1.097 341 H CA 1.084 57.228 56.048 0.160 0.000 1.285 341 H CB -0.824 29.034 29.762 0.161 0.000 1.368 341 H HN 0.439 nan 8.280 nan 0.000 0.495 342 P HA 0.070 nan 4.420 nan 0.000 0.254 342 P C 0.755 178.099 177.300 0.073 0.000 1.620 342 P CA 0.330 63.510 63.100 0.135 0.000 1.050 342 P CB 0.302 32.069 31.700 0.112 0.000 1.539 343 S N -0.324 115.413 115.700 0.061 0.000 2.442 343 S HA -0.111 4.351 4.470 -0.013 0.000 0.236 343 S C 1.710 176.316 174.600 0.010 0.000 1.007 343 S CA 0.736 58.932 58.200 -0.007 0.000 0.965 343 S CB -1.404 61.765 63.200 -0.051 0.000 0.773 343 S HN 0.146 nan 8.310 nan 0.000 0.504 344 L N 0.962 122.211 121.223 0.043 0.000 2.456 344 L HA 0.039 4.372 4.340 -0.013 0.000 0.224 344 L C 2.955 179.875 176.870 0.083 0.000 1.148 344 L CA 0.639 55.515 54.840 0.060 0.000 0.825 344 L CB -0.728 41.375 42.059 0.074 0.000 0.937 344 L HN 0.485 nan 8.230 nan 0.000 0.450 345 A N 0.520 123.363 122.820 0.038 0.000 1.978 345 A HA -0.201 4.112 4.320 -0.013 0.000 0.220 345 A C 2.171 179.756 177.584 0.002 0.000 1.170 345 A CA 1.480 53.522 52.037 0.008 0.000 0.636 345 A CB -0.454 18.538 19.000 -0.014 0.000 0.810 345 A HN 0.355 nan 8.150 nan 0.000 0.448 346 I N 0.322 120.893 120.570 0.002 0.000 2.090 346 I HA -0.153 4.010 4.170 -0.013 0.000 0.236 346 I C -0.342 175.788 176.117 0.022 0.000 1.064 346 I CA 1.693 62.989 61.300 -0.007 0.000 1.324 346 I CB -0.903 37.097 38.000 -0.001 0.000 1.044 346 I HN 0.244 nan 8.210 nan 0.000 0.399 347 P HA -0.176 nan 4.420 nan 0.000 0.223 347 P C 1.243 178.528 177.300 -0.026 0.000 1.151 347 P CA 1.500 64.620 63.100 0.034 0.000 0.787 347 P CB 0.017 31.759 31.700 0.069 0.000 0.788 348 E N 0.169 120.423 120.200 0.090 0.000 2.107 348 E HA -0.133 4.209 4.350 -0.013 0.000 0.191 348 E C 1.890 178.458 176.600 -0.054 0.000 0.982 348 E CA 0.551 57.014 56.400 0.105 0.000 0.809 348 E CB -1.132 28.719 29.700 0.251 0.000 0.756 348 E HN -0.016 nan 8.360 nan 0.000 0.459 349 L N 0.024 121.196 121.223 -0.084 0.000 2.141 349 L HA -0.039 4.294 4.340 -0.013 0.000 0.209 349 L C 1.952 178.677 176.870 -0.242 0.000 1.094 349 L CA 1.646 56.385 54.840 -0.169 0.000 0.763 349 L CB -0.496 41.476 42.059 -0.146 0.000 0.908 349 L HN 0.249 nan 8.230 nan 0.000 0.437 350 M N -0.855 118.616 119.600 -0.215 0.000 2.156 350 M HA -0.150 4.323 4.480 -0.013 0.000 0.264 350 M C 2.398 178.516 176.300 -0.304 0.000 1.067 350 M CA 1.385 56.503 55.300 -0.303 0.000 1.131 350 M CB -1.070 31.342 32.600 -0.313 0.000 1.368 350 M HN 0.314 nan 8.290 nan 0.000 0.416 351 R N 0.013 120.356 120.500 -0.262 0.000 2.083 351 R HA -0.138 4.194 4.340 -0.013 0.000 0.237 351 R C 2.039 178.220 176.300 -0.198 0.000 1.137 351 R CA 1.657 57.607 56.100 -0.251 0.000 0.951 351 R CB -0.200 29.893 30.300 -0.346 0.000 0.851 351 R HN 0.185 nan 8.270 nan 0.000 0.434 352 V N 1.403 121.199 119.914 -0.197 0.000 2.270 352 V HA -0.253 3.859 4.120 -0.013 0.000 0.245 352 V C 2.450 178.375 176.094 -0.281 0.000 1.043 352 V CA 1.801 63.982 62.300 -0.198 0.000 1.014 352 V CB -0.419 31.285 31.823 -0.198 0.000 0.645 352 V HN 0.347 nan 8.190 nan 0.000 0.447 353 L N -0.614 120.376 121.223 -0.389 0.000 2.042 353 L HA -0.179 4.154 4.340 -0.013 0.000 0.210 353 L C 2.408 179.086 176.870 -0.319 0.000 1.076 353 L CA 1.337 55.886 54.840 -0.485 0.000 0.749 353 L CB -0.662 41.072 42.059 -0.541 0.000 0.893 353 L HN 0.212 nan 8.230 nan 0.000 0.432 354 V N -0.579 119.182 119.914 -0.255 0.000 2.300 354 V HA -0.193 3.919 4.120 -0.013 0.000 0.241 354 V C 2.054 178.094 176.094 -0.091 0.000 1.034 354 V CA 1.711 63.920 62.300 -0.151 0.000 1.021 354 V CB -0.325 31.420 31.823 -0.131 0.000 0.662 354 V HN 0.353 nan 8.190 nan 0.000 0.458 355 D N 0.105 120.447 120.400 -0.096 0.000 2.097 355 D HA -0.069 4.563 4.640 -0.013 0.000 0.197 355 D C 2.081 178.347 176.300 -0.057 0.000 0.984 355 D CA 1.365 55.328 54.000 -0.061 0.000 0.826 355 D CB -0.101 40.660 40.800 -0.065 0.000 0.973 355 D HN 0.313 nan 8.370 nan 0.000 0.460 356 L N 0.338 121.512 121.223 -0.082 0.000 2.200 356 L HA 0.064 4.397 4.340 -0.013 0.000 0.200 356 L C 2.025 178.856 176.870 -0.065 0.000 1.072 356 L CA 0.635 55.437 54.840 -0.063 0.000 0.787 356 L CB -0.254 41.767 42.059 -0.063 0.000 0.957 356 L HN -0.140 nan 8.230 nan 0.000 0.459 357 E N 0.745 120.870 120.200 -0.124 0.000 2.371 357 E HA -0.015 4.328 4.350 -0.013 0.000 0.194 357 E C 0.110 176.670 176.600 -0.067 0.000 1.012 357 E CA 0.029 56.364 56.400 -0.109 0.000 0.860 357 E CB 0.150 29.677 29.700 -0.287 0.000 0.811 357 E HN 0.279 nan 8.360 nan 0.000 0.502 358 R N -0.046 120.408 120.500 -0.075 0.000 3.418 358 R HA -0.185 4.147 4.340 -0.013 0.000 0.274 358 R C -0.566 175.718 176.300 -0.026 0.000 1.108 358 R CA 0.221 56.300 56.100 -0.034 0.000 0.741 358 R CB -2.513 27.786 30.300 -0.001 0.000 1.223 358 R HN 0.041 nan 8.270 nan 0.000 0.434 359 L N 1.717 122.898 121.223 -0.071 0.000 2.379 359 L HA 0.225 4.558 4.340 -0.013 0.000 0.269 359 L C 1.234 178.096 176.870 -0.013 0.000 1.084 359 L CA -0.029 54.782 54.840 -0.048 0.000 0.802 359 L CB 0.612 42.599 42.059 -0.120 0.000 1.175 359 L HN 0.145 nan 8.230 nan 0.000 0.448 360 D N 0.464 120.882 120.400 0.030 0.000 2.357 360 D HA -0.134 4.498 4.640 -0.013 0.000 0.242 360 D C 0.961 177.325 176.300 0.106 0.000 1.153 360 D CA -0.486 53.566 54.000 0.086 0.000 0.918 360 D CB 0.707 41.565 40.800 0.096 0.000 1.181 360 D HN 0.591 nan 8.370 nan 0.000 0.435 361 W N 1.783 123.089 121.300 0.009 0.000 2.301 361 W HA -0.243 4.410 4.660 -0.013 0.000 0.325 361 W C 1.243 177.809 176.519 0.078 0.000 1.250 361 W CA 1.997 59.354 57.345 0.021 0.000 1.261 361 W CB -0.302 29.150 29.460 -0.014 0.000 1.157 361 W HN 0.493 nan 8.180 nan 0.000 0.473 362 D N 0.037 120.640 120.400 0.339 0.000 2.149 362 D HA -0.200 4.432 4.640 -0.013 0.000 0.198 362 D C 2.045 178.449 176.300 0.173 0.000 0.990 362 D CA 1.332 55.501 54.000 0.282 0.000 0.839 362 D CB -0.380 40.561 40.800 0.235 0.000 0.948 362 D HN 0.111 nan 8.370 nan 0.000 0.460 363 K N 0.969 121.429 120.400 0.100 0.000 2.103 363 K HA 0.008 4.321 4.320 -0.013 0.000 0.204 363 K C 1.967 178.563 176.600 -0.005 0.000 1.052 363 K CA 0.746 57.066 56.287 0.056 0.000 0.945 363 K CB -0.153 32.375 32.500 0.047 0.000 0.722 363 K HN 0.013 nan 8.250 nan 0.000 0.443 364 A N 0.814 123.589 122.820 -0.075 0.000 1.902 364 A HA -0.185 4.128 4.320 -0.013 0.000 0.217 364 A C 2.121 179.617 177.584 -0.147 0.000 1.181 364 A CA 1.227 53.150 52.037 -0.191 0.000 0.623 364 A CB -1.044 17.766 19.000 -0.318 0.000 0.818 364 A HN 0.631 nan 8.150 nan 0.000 0.443 365 W N 0.723 121.826 121.300 -0.327 0.000 2.358 365 W HA -0.170 4.482 4.660 -0.012 0.000 0.303 365 W C 1.999 178.469 176.519 -0.082 0.000 1.208 365 W CA 1.849 59.057 57.345 -0.228 0.000 1.274 365 W CB -0.093 29.287 29.460 -0.134 0.000 1.138 365 W HN 0.609 nan 8.180 nan 0.000 0.515 366 E N 0.110 120.312 120.200 0.004 0.000 2.051 366 E HA -0.223 4.119 4.350 -0.013 0.000 0.192 366 E C 2.041 178.569 176.600 -0.120 0.000 0.991 366 E CA 1.883 58.248 56.400 -0.058 0.000 0.799 366 E CB -0.309 29.413 29.700 0.036 0.000 0.748 366 E HN 0.067 nan 8.360 nan 0.000 0.449 367 V N 0.725 120.584 119.914 -0.092 0.000 2.261 367 V HA -0.265 3.847 4.120 -0.013 0.000 0.246 367 V C 2.445 178.478 176.094 -0.101 0.000 1.047 367 V CA 2.225 64.487 62.300 -0.062 0.000 1.015 367 V CB -0.834 30.948 31.823 -0.068 0.000 0.642 367 V HN 0.378 nan 8.190 nan 0.000 0.446 368 T N 0.088 114.513 114.554 -0.215 0.000 2.652 368 T HA -0.200 4.143 4.350 -0.013 0.000 0.267 368 T C 1.928 176.441 174.700 -0.311 0.000 1.039 368 T CA 1.868 63.812 62.100 -0.259 0.000 1.153 368 T CB -0.326 68.328 68.868 -0.357 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.428 369 V N 1.130 120.732 119.914 -0.521 0.000 2.407 369 V HA -0.158 3.954 4.120 -0.013 0.000 0.248 369 V C 2.380 178.413 176.094 -0.101 0.000 1.055 369 V CA 1.606 63.657 62.300 -0.415 0.000 1.049 369 V CB -0.468 31.033 31.823 -0.535 0.000 0.662 369 V HN 0.434 nan 8.190 nan 0.000 0.455 370 K N -0.271 120.063 120.400 -0.111 0.000 2.288 370 K HA -0.103 4.209 4.320 -0.013 0.000 0.201 370 K C 2.172 178.747 176.600 -0.041 0.000 1.048 370 K CA 1.538 57.763 56.287 -0.103 0.000 0.956 370 K CB -0.128 32.306 32.500 -0.111 0.000 0.746 370 K HN 0.642 nan 8.250 nan 0.000 0.461 371 T N -1.951 112.626 114.554 0.039 0.000 3.014 371 T HA 0.090 4.432 4.350 -0.013 0.000 0.250 371 T C 0.614 175.405 174.700 0.152 0.000 1.060 371 T CA -0.300 61.846 62.100 0.077 0.000 1.040 371 T CB -0.028 68.875 68.868 0.059 0.000 0.971 371 T HN 0.005 nan 8.240 nan 0.000 0.497 372 C N 2.520 121.901 119.300 0.135 0.000 2.365 372 C HA 0.926 5.379 4.460 -0.013 0.000 0.351 372 C C 0.536 175.567 174.990 0.068 0.000 1.240 372 C CA -0.866 58.209 59.018 0.094 0.000 2.062 372 C CB 0.271 28.007 27.740 -0.005 0.000 2.387 372 C HN 0.738 nan 8.230 nan 0.000 0.537 373 A N 2.194 125.052 122.820 0.065 0.000 2.486 373 A HA 0.742 5.055 4.320 -0.013 0.000 0.300 373 A C -1.520 176.129 177.584 0.108 0.000 1.048 373 A CA -0.412 51.612 52.037 -0.021 0.000 0.696 373 A CB 0.990 19.999 19.000 0.015 0.000 1.278 373 A HN 0.943 nan 8.150 nan 0.000 0.405 374 Y N 1.274 121.513 120.300 -0.101 0.000 2.393 374 Y HA 0.656 5.198 4.550 -0.012 0.000 0.341 374 Y C -0.463 175.407 175.900 -0.050 0.000 0.988 374 Y CA -0.336 57.718 58.100 -0.077 0.000 1.078 374 Y CB 2.027 40.398 38.460 -0.148 0.000 1.203 374 Y HN 0.571 nan 8.280 nan 0.000 0.453 375 T N 6.467 120.811 114.554 -0.350 0.000 2.779 375 T HA 0.196 4.539 4.350 -0.013 0.000 0.280 375 T C -0.874 173.345 174.700 -0.802 0.000 0.987 375 T CA -0.835 60.981 62.100 -0.472 0.000 0.966 375 T CB 0.552 69.379 68.868 -0.069 0.000 0.933 375 T HN 0.645 nan 8.240 nan 0.000 0.442 376 N N 1.611 119.845 118.700 -0.777 0.000 2.456 376 N HA 0.155 4.887 4.740 -0.013 0.000 0.288 376 N C -0.030 175.331 175.510 -0.248 0.000 1.059 376 N CA -0.353 52.465 53.050 -0.386 0.000 0.946 376 N CB 0.814 39.249 38.487 -0.085 0.000 1.150 376 N HN 0.683 nan 8.380 nan 0.000 0.479 377 H N 0.883 119.976 119.070 0.039 0.000 3.058 377 H HA 0.166 4.714 4.556 -0.013 0.000 0.266 377 H C -0.217 175.020 175.328 -0.151 0.000 1.135 377 H CA -0.046 55.969 56.048 -0.056 0.000 1.174 377 H CB 1.165 30.905 29.762 -0.036 0.000 1.581 377 H HN 0.527 nan 8.280 nan 0.000 0.553 378 T N 0.224 114.799 114.554 0.035 0.000 2.827 378 T HA 0.235 4.577 4.350 -0.013 0.000 0.328 378 T C 0.365 175.084 174.700 0.031 0.000 1.598 378 T CA -0.350 61.721 62.100 -0.048 0.000 1.043 378 T CB 1.319 70.152 68.868 -0.057 0.000 1.447 378 T HN -0.046 nan 8.240 nan 0.000 0.491 379 V N 1.668 121.563 119.914 -0.031 0.000 3.528 379 V HA 0.501 4.613 4.120 -0.013 0.000 0.294 379 V C 0.925 176.978 176.094 -0.068 0.000 1.404 379 V CA -0.002 62.272 62.300 -0.043 0.000 1.065 379 V CB -0.716 31.087 31.823 -0.033 0.000 0.904 379 V HN 0.799 nan 8.190 nan 0.000 0.435 380 I N -0.265 120.254 120.570 -0.085 0.000 2.556 380 I HA 0.322 4.485 4.170 -0.013 0.000 0.284 380 I C -0.718 175.385 176.117 -0.023 0.000 1.114 380 I CA -1.711 59.560 61.300 -0.047 0.000 1.418 380 I CB 0.607 38.575 38.000 -0.053 0.000 1.394 380 I HN -0.047 nan 8.210 nan 0.000 0.552 381 P HA -0.244 nan 4.420 nan 0.000 0.216 381 P C 1.103 178.387 177.300 -0.027 0.000 1.150 381 P CA 1.583 64.669 63.100 -0.022 0.000 0.837 381 P CB -0.096 31.598 31.700 -0.011 0.000 0.786 382 E N 0.270 120.475 120.200 0.009 0.000 2.478 382 E HA -0.049 4.293 4.350 -0.013 0.000 0.198 382 E C 1.551 178.088 176.600 -0.106 0.000 1.046 382 E CA 1.051 57.432 56.400 -0.032 0.000 0.870 382 E CB -0.637 29.134 29.700 0.118 0.000 0.818 382 E HN 0.216 nan 8.360 nan 0.000 0.527 383 A N 0.993 123.800 122.820 -0.021 0.000 2.220 383 A HA 0.210 4.523 4.320 -0.013 0.000 0.211 383 A C 1.109 178.669 177.584 -0.040 0.000 1.176 383 A CA -0.332 51.713 52.037 0.014 0.000 0.834 383 A CB 0.152 19.185 19.000 0.056 0.000 0.868 383 A HN 0.141 nan 8.150 nan 0.000 0.488 384 L N 1.676 122.832 121.223 -0.110 0.000 2.410 384 L HA 0.147 4.479 4.340 -0.013 0.000 0.273 384 L C -0.021 176.514 176.870 -0.559 0.000 1.152 384 L CA 0.477 55.191 54.840 -0.210 0.000 0.855 384 L CB 0.429 42.397 42.059 -0.152 0.000 1.129 384 L HN 0.391 nan 8.230 nan 0.000 0.463 385 E N 4.791 124.562 120.200 -0.714 0.000 2.105 385 E HA 0.194 4.537 4.350 -0.013 0.000 0.285 385 E C -0.495 175.469 176.600 -1.060 0.000 1.055 385 E CA -0.222 55.307 56.400 -1.452 0.000 0.843 385 E CB 0.650 29.840 29.700 -0.851 0.000 1.067 385 E HN 0.362 nan 8.360 nan 0.000 0.398 386 R N 3.840 123.617 120.500 -1.204 0.000 2.415 386 R HA 0.197 4.530 4.340 -0.013 0.000 0.292 386 R C -1.159 174.991 176.300 -0.251 0.000 1.295 386 R CA -0.567 55.253 56.100 -0.466 0.000 1.137 386 R CB 0.808 30.964 30.300 -0.240 0.000 1.135 386 R HN 0.419 nan 8.270 nan 0.000 0.560 387 W N 4.503 125.764 121.300 -0.064 0.000 2.311 387 W HA 0.239 4.891 4.660 -0.013 0.000 0.310 387 W C -1.875 174.624 176.519 -0.033 0.000 1.274 387 W CA -2.085 55.281 57.345 0.034 0.000 1.215 387 W CB 0.655 30.108 29.460 -0.012 0.000 1.227 387 W HN 0.250 nan 8.180 nan 0.000 0.523 388 P HA -0.082 nan 4.420 nan 0.000 0.265 388 P C 0.733 177.981 177.300 -0.086 0.000 1.193 388 P CA 0.155 63.256 63.100 0.001 0.000 0.765 388 P CB 0.805 32.386 31.700 -0.198 0.000 0.823 389 V N 3.004 122.917 119.914 -0.001 0.000 2.490 389 V HA -0.268 3.845 4.120 -0.013 0.000 0.250 389 V C 2.097 178.193 176.094 0.002 0.000 1.061 389 V CA 2.413 64.721 62.300 0.014 0.000 1.064 389 V CB -1.772 30.118 31.823 0.112 0.000 0.670 389 V HN 0.755 nan 8.190 nan 0.000 0.461 390 H N -1.187 117.935 119.070 0.086 0.000 2.489 390 H HA -0.083 4.465 4.556 -0.013 0.000 0.293 390 H C 2.021 177.389 175.328 0.067 0.000 1.066 390 H CA 1.567 57.661 56.048 0.076 0.000 1.305 390 H CB -0.446 29.363 29.762 0.078 0.000 1.386 390 H HN 0.368 nan 8.280 nan 0.000 0.551 391 L N -0.118 120.919 121.223 -0.310 0.000 2.068 391 L HA -0.034 4.298 4.340 -0.013 0.000 0.204 391 L C 2.325 179.120 176.870 -0.124 0.000 1.076 391 L CA 0.777 55.526 54.840 -0.151 0.000 0.753 391 L CB -0.172 41.785 42.059 -0.171 0.000 0.910 391 L HN 0.319 nan 8.230 nan 0.000 0.439 392 L N -0.480 120.648 121.223 -0.158 0.000 2.093 392 L HA -0.240 4.093 4.340 -0.013 0.000 0.208 392 L C 2.509 179.298 176.870 -0.135 0.000 1.085 392 L CA 1.152 55.875 54.840 -0.195 0.000 0.755 392 L CB -0.387 41.553 42.059 -0.199 0.000 0.904 392 L HN 0.349 nan 8.230 nan 0.000 0.435 393 E N -0.450 119.715 120.200 -0.059 0.000 2.085 393 E HA -0.229 4.114 4.350 -0.013 0.000 0.194 393 E C 1.911 178.532 176.600 0.035 0.000 0.994 393 E CA 1.931 58.332 56.400 0.001 0.000 0.801 393 E CB 0.132 29.874 29.700 0.070 0.000 0.743 393 E HN 0.400 nan 8.360 nan 0.000 0.453 394 T N 0.683 115.278 114.554 0.067 0.000 2.809 394 T HA -0.070 4.273 4.350 -0.013 0.000 0.260 394 T C 1.689 176.478 174.700 0.147 0.000 1.039 394 T CA 0.700 62.888 62.100 0.147 0.000 1.141 394 T CB -0.089 68.898 68.868 0.199 0.000 0.869 394 T HN 0.064 nan 8.240 nan 0.000 0.437 395 L N 0.074 121.281 121.223 -0.027 0.000 2.127 395 L HA 0.356 4.688 4.340 -0.013 0.000 0.203 395 L C 0.303 177.074 176.870 -0.165 0.000 1.080 395 L CA 1.554 56.249 54.840 -0.241 0.000 0.768 395 L CB 0.062 41.944 42.059 -0.295 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.586 121.674 121.223 -0.224 0.000 2.551 396 L HA 0.296 4.628 4.340 -0.013 0.000 0.248 396 L C -1.677 174.989 176.870 -0.341 0.000 1.509 396 L CA -1.055 53.555 54.840 -0.382 0.000 0.842 396 L CB 0.888 42.535 42.059 -0.687 0.000 1.087 396 L HN -0.079 nan 8.230 nan 0.000 0.512 397 P HA -0.234 nan 4.420 nan 0.000 0.215 397 P C 1.510 178.621 177.300 -0.315 0.000 1.157 397 P CA 1.376 64.349 63.100 -0.212 0.000 0.874 397 P CB 0.341 31.989 31.700 -0.087 0.000 0.790 398 R N -0.649 119.493 120.500 -0.597 0.000 2.092 398 R HA -0.143 4.190 4.340 -0.013 0.000 0.231 398 R C 2.362 178.388 176.300 -0.455 0.000 1.119 398 R CA 1.459 57.233 56.100 -0.543 0.000 0.970 398 R CB -1.233 28.607 30.300 -0.767 0.000 0.864 398 R HN 0.215 nan 8.270 nan 0.000 0.440 399 H N -0.157 118.596 119.070 -0.529 0.000 2.387 399 H HA -0.075 4.474 4.556 -0.013 0.000 0.299 399 H C 1.770 176.925 175.328 -0.289 0.000 1.090 399 H CA 1.654 57.477 56.048 -0.375 0.000 1.332 399 H CB -0.069 29.433 29.762 -0.432 0.000 1.386 399 H HN 0.113 nan 8.280 nan 0.000 0.516 400 L N 0.450 121.552 121.223 -0.200 0.000 2.046 400 L HA -0.234 4.098 4.340 -0.013 0.000 0.208 400 L C 1.829 178.522 176.870 -0.296 0.000 1.077 400 L CA 1.615 56.273 54.840 -0.303 0.000 0.747 400 L CB -0.308 41.586 42.059 -0.275 0.000 0.896 400 L HN 0.435 nan 8.230 nan 0.000 0.432 401 Q N -0.371 119.358 119.800 -0.118 0.000 2.124 401 Q HA -0.225 4.108 4.340 -0.013 0.000 0.202 401 Q C 2.172 178.197 176.000 0.043 0.000 0.977 401 Q CA 1.546 57.368 55.803 0.033 0.000 0.850 401 Q CB -0.031 28.727 28.738 0.033 0.000 0.901 401 Q HN 0.553 nan 8.270 nan 0.000 0.429 402 I N 0.268 120.839 120.570 0.001 0.000 2.315 402 I HA -0.257 3.906 4.170 -0.013 0.000 0.248 402 I C 2.082 178.273 176.117 0.124 0.000 1.117 402 I CA 0.941 62.321 61.300 0.132 0.000 1.404 402 I CB -0.064 37.953 38.000 0.029 0.000 1.071 402 I HN 0.200 nan 8.210 nan 0.000 0.419 403 I N -0.530 120.035 120.570 -0.009 0.000 2.252 403 I HA -0.310 3.852 4.170 -0.013 0.000 0.245 403 I C 2.350 178.483 176.117 0.028 0.000 1.102 403 I CA 1.370 62.654 61.300 -0.028 0.000 1.385 403 I CB -0.351 37.561 38.000 -0.146 0.000 1.064 403 I HN 0.172 nan 8.210 nan 0.000 0.414 404 Y N 0.916 121.221 120.300 0.008 0.000 2.224 404 Y HA -0.260 4.283 4.550 -0.013 0.000 0.289 404 Y C 2.591 178.456 175.900 -0.058 0.000 1.146 404 Y CA 1.553 59.644 58.100 -0.014 0.000 1.182 404 Y CB -0.709 37.735 38.460 -0.027 0.000 0.983 404 Y HN 0.228 nan 8.280 nan 0.000 0.524 405 E N 0.321 120.561 120.200 0.067 0.000 2.107 405 E HA -0.122 4.220 4.350 -0.013 0.000 0.191 405 E C 1.967 178.471 176.600 -0.160 0.000 0.982 405 E CA 1.162 57.459 56.400 -0.172 0.000 0.809 405 E CB -0.548 28.894 29.700 -0.431 0.000 0.756 405 E HN 0.482 nan 8.360 nan 0.000 0.459 406 I N 0.615 121.190 120.570 0.007 0.000 2.252 406 I HA -0.228 3.935 4.170 -0.013 0.000 0.245 406 I C 2.244 178.357 176.117 -0.007 0.000 1.102 406 I CA 1.210 62.468 61.300 -0.070 0.000 1.385 406 I CB -0.334 37.639 38.000 -0.044 0.000 1.064 406 I HN 0.209 nan 8.210 nan 0.000 0.414 407 N N 0.598 119.348 118.700 0.083 0.000 2.084 407 N HA -0.247 4.485 4.740 -0.013 0.000 0.190 407 N C 1.886 177.478 175.510 0.137 0.000 1.030 407 N CA 1.513 54.667 53.050 0.173 0.000 0.849 407 N CB -0.107 38.501 38.487 0.201 0.000 1.012 407 N HN 0.251 nan 8.380 nan 0.000 0.423 408 Q N 0.037 119.863 119.800 0.042 0.000 2.045 408 Q HA -0.163 4.169 4.340 -0.013 0.000 0.206 408 Q C 2.021 177.998 176.000 -0.039 0.000 0.991 408 Q CA 1.604 57.393 55.803 -0.024 0.000 0.851 408 Q CB -0.051 28.629 28.738 -0.096 0.000 0.911 408 Q HN 0.478 nan 8.270 nan 0.000 0.418 409 R N -0.771 119.683 120.500 -0.077 0.000 2.092 409 R HA -0.124 4.209 4.340 -0.013 0.000 0.231 409 R C 2.194 178.514 176.300 0.034 0.000 1.119 409 R CA 1.141 57.195 56.100 -0.077 0.000 0.970 409 R CB -0.446 29.750 30.300 -0.173 0.000 0.864 409 R HN 0.239 nan 8.270 nan 0.000 0.440 410 F N 1.832 121.752 119.950 -0.049 0.000 2.113 410 F HA -0.087 4.432 4.527 -0.013 0.000 0.297 410 F C 1.958 177.780 175.800 0.037 0.000 1.103 410 F CA 1.250 59.270 58.000 0.034 0.000 1.248 410 F CB -0.308 38.744 39.000 0.087 0.000 0.999 410 F HN -0.134 nan 8.300 nan 0.000 0.475 411 L N 0.143 121.345 121.223 -0.036 0.000 2.131 411 L HA -0.266 4.066 4.340 -0.013 0.000 0.210 411 L C 1.989 178.773 176.870 -0.144 0.000 1.092 411 L CA 1.737 56.493 54.840 -0.141 0.000 0.759 411 L CB -0.892 41.163 42.059 -0.006 0.000 0.903 411 L HN 0.279 nan 8.230 nan 0.000 0.435 412 N N -0.457 118.186 118.700 -0.095 0.000 2.244 412 N HA -0.164 4.568 4.740 -0.013 0.000 0.183 412 N C 1.927 177.380 175.510 -0.096 0.000 1.016 412 N CA 0.553 53.555 53.050 -0.081 0.000 0.866 412 N CB 0.042 38.491 38.487 -0.063 0.000 0.980 412 N HN 0.229 nan 8.380 nan 0.000 0.430 413 R N 0.511 120.934 120.500 -0.128 0.000 2.075 413 R HA -0.042 4.290 4.340 -0.013 0.000 0.232 413 R C 2.084 178.290 176.300 -0.158 0.000 1.126 413 R CA 0.840 56.867 56.100 -0.122 0.000 0.963 413 R CB -0.162 30.073 30.300 -0.107 0.000 0.858 413 R HN 0.036 nan 8.270 nan 0.000 0.435 414 V N 0.651 120.417 119.914 -0.247 0.000 2.261 414 V HA -0.249 3.864 4.120 -0.013 0.000 0.246 414 V C 2.364 178.456 176.094 -0.003 0.000 1.047 414 V CA 1.990 64.216 62.300 -0.124 0.000 1.015 414 V CB -0.798 30.871 31.823 -0.257 0.000 0.642 414 V HN 0.466 nan 8.190 nan 0.000 0.446 415 A N 0.119 122.907 122.820 -0.053 0.000 1.917 415 A HA -0.204 4.109 4.320 -0.013 0.000 0.219 415 A C 2.399 179.962 177.584 -0.034 0.000 1.182 415 A CA 2.419 54.442 52.037 -0.024 0.000 0.633 415 A CB -0.846 18.129 19.000 -0.041 0.000 0.819 415 A HN 0.614 nan 8.150 nan 0.000 0.448 416 A N -0.672 122.108 122.820 -0.066 0.000 1.969 416 A HA 0.248 4.560 4.320 -0.013 0.000 0.218 416 A C 2.398 179.899 177.584 -0.139 0.000 1.169 416 A CA 1.893 53.880 52.037 -0.083 0.000 0.635 416 A CB -0.715 18.239 19.000 -0.076 0.000 0.810 416 A HN 1.027 nan 8.150 nan 0.000 0.445 417 A N -1.583 121.112 122.820 -0.208 0.000 1.975 417 A HA 0.373 4.685 4.320 -0.013 0.000 0.215 417 A C 0.480 177.647 177.584 -0.694 0.000 1.170 417 A CA 0.488 52.238 52.037 -0.477 0.000 0.656 417 A CB -0.147 18.482 19.000 -0.617 0.000 0.821 417 A HN 0.419 nan 8.150 nan 0.000 0.449 418 F N 0.218 120.120 119.950 -0.081 0.000 2.531 418 F HA 0.347 4.867 4.527 -0.013 0.000 0.333 418 F C -2.723 173.038 175.800 -0.064 0.000 1.292 418 F CA -2.868 55.089 58.000 -0.072 0.000 1.184 418 F CB 0.722 39.672 39.000 -0.085 0.000 1.426 418 F HN -0.064 nan 8.300 nan 0.000 0.559 419 P HA 0.131 nan 4.420 nan 0.000 0.261 419 P C 1.032 178.351 177.300 0.032 0.000 1.183 419 P CA 1.154 64.265 63.100 0.019 0.000 0.761 419 P CB 0.714 32.407 31.700 -0.011 0.000 0.785 420 G N 2.818 111.629 108.800 0.019 0.000 2.205 420 G HA2 -0.253 3.700 3.960 -0.013 0.000 0.261 420 G HA3 -0.253 3.700 3.960 -0.013 0.000 0.261 420 G C 0.386 175.293 174.900 0.012 0.000 0.980 420 G CA 0.015 45.122 45.100 0.011 0.000 0.632 420 G HN 0.586 nan 8.290 nan 0.000 0.533 421 D N 1.032 121.448 120.400 0.027 0.000 2.545 421 D HA 0.375 5.008 4.640 -0.013 0.000 0.227 421 D C 1.613 177.897 176.300 -0.025 0.000 1.150 421 D CA 0.401 54.400 54.000 -0.002 0.000 1.046 421 D CB 0.528 41.324 40.800 -0.008 0.000 1.098 421 D HN 0.127 nan 8.370 nan 0.000 0.502 422 V N 2.657 122.559 119.914 -0.020 0.000 2.594 422 V HA -0.212 3.900 4.120 -0.013 0.000 0.253 422 V C 1.689 177.766 176.094 -0.028 0.000 1.069 422 V CA 1.858 64.145 62.300 -0.022 0.000 1.082 422 V CB 0.018 31.833 31.823 -0.014 0.000 0.680 422 V HN 0.370 nan 8.190 nan 0.000 0.469 423 D N -0.493 119.886 120.400 -0.036 0.000 2.194 423 D HA -0.161 4.472 4.640 -0.013 0.000 0.204 423 D C 2.314 178.581 176.300 -0.056 0.000 0.964 423 D CA 1.082 55.061 54.000 -0.035 0.000 0.846 423 D CB -0.175 40.605 40.800 -0.033 0.000 0.962 423 D HN 0.397 nan 8.370 nan 0.000 0.490 424 R N -0.290 120.151 120.500 -0.099 0.000 2.096 424 R HA -0.134 4.198 4.340 -0.013 0.000 0.235 424 R C 1.856 178.075 176.300 -0.135 0.000 1.127 424 R CA 0.885 56.886 56.100 -0.164 0.000 0.968 424 R CB -0.298 29.839 30.300 -0.273 0.000 0.861 424 R HN 0.154 nan 8.270 nan 0.000 0.440 425 L N 1.451 122.621 121.223 -0.089 0.000 1.989 425 L HA -0.193 4.139 4.340 -0.013 0.000 0.211 425 L C 2.589 179.454 176.870 -0.009 0.000 1.071 425 L CA 2.230 57.035 54.840 -0.057 0.000 0.749 425 L CB -0.802 41.235 42.059 -0.036 0.000 0.890 425 L HN 0.314 nan 8.230 nan 0.000 0.431 426 R N -1.170 119.333 120.500 0.006 0.000 2.115 426 R HA -0.086 4.246 4.340 -0.013 0.000 0.230 426 R C 2.214 178.562 176.300 0.080 0.000 1.111 426 R CA 1.127 57.254 56.100 0.045 0.000 0.976 426 R CB -0.657 29.665 30.300 0.035 0.000 0.870 426 R HN 0.174 nan 8.270 nan 0.000 0.445 427 R N 0.221 120.750 120.500 0.048 0.000 2.092 427 R HA 0.070 4.402 4.340 -0.013 0.000 0.231 427 R C 2.125 178.515 176.300 0.149 0.000 1.119 427 R CA 1.913 58.066 56.100 0.089 0.000 0.970 427 R CB -0.187 30.123 30.300 0.016 0.000 0.864 427 R HN 0.335 nan 8.270 nan 0.000 0.440 428 M N 0.019 119.624 119.600 0.008 0.000 2.514 428 M HA 0.020 4.492 4.480 -0.013 0.000 0.258 428 M C 0.911 177.357 176.300 0.245 0.000 1.119 428 M CA 0.063 55.314 55.300 -0.083 0.000 1.111 428 M CB 0.333 32.727 32.600 -0.344 0.000 1.390 428 M HN -0.072 nan 8.290 nan 0.000 0.475 429 S N 0.979 116.839 115.700 0.267 0.000 2.558 429 S HA 0.018 4.480 4.470 -0.013 0.000 0.287 429 S C 1.143 176.016 174.600 0.455 0.000 1.321 429 S CA -0.139 58.252 58.200 0.318 0.000 1.048 429 S CB 0.533 63.860 63.200 0.212 0.000 0.844 429 S HN 0.344 nan 8.310 nan 0.000 0.512 430 L N 3.851 125.290 121.223 0.360 0.000 2.418 430 L HA 0.124 4.456 4.340 -0.013 0.000 0.218 430 L C 0.216 177.203 176.870 0.195 0.000 1.125 430 L CA 0.317 55.332 54.840 0.290 0.000 0.835 430 L CB -0.334 41.836 42.059 0.185 0.000 0.953 430 L HN 0.385 nan 8.230 nan 0.000 0.454 431 V N 0.690 120.730 119.914 0.209 0.000 2.370 431 V HA 0.195 4.307 4.120 -0.013 0.000 0.279 431 V C -0.008 176.176 176.094 0.150 0.000 1.029 431 V CA -0.593 61.815 62.300 0.180 0.000 0.870 431 V CB 1.572 33.538 31.823 0.239 0.000 0.984 431 V HN 0.166 nan 8.190 nan 0.000 0.451 432 E N 3.132 123.399 120.200 0.112 0.000 2.134 432 E HA 0.426 4.769 4.350 -0.013 0.000 0.278 432 E C -0.737 175.915 176.600 0.086 0.000 0.959 432 E CA -0.551 55.903 56.400 0.091 0.000 0.783 432 E CB 1.970 31.703 29.700 0.055 0.000 1.095 432 E HN 0.622 nan 8.360 nan 0.000 0.399 433 E N 1.039 121.286 120.200 0.078 0.000 2.314 433 E HA 0.651 4.994 4.350 -0.013 0.000 0.262 433 E C 0.156 176.791 176.600 0.058 0.000 1.093 433 E CA 0.332 56.773 56.400 0.068 0.000 0.908 433 E CB 1.501 31.235 29.700 0.057 0.000 1.091 433 E HN 0.642 nan 8.360 nan 0.000 0.425 434 G N 0.041 108.874 108.800 0.054 0.000 2.302 434 G HA2 0.240 4.192 3.960 -0.013 0.000 0.264 434 G HA3 0.240 4.192 3.960 -0.013 0.000 0.264 434 G C 0.537 175.467 174.900 0.050 0.000 1.335 434 G CA 0.290 45.418 45.100 0.047 0.000 0.982 434 G HN 0.659 nan 8.290 nan 0.000 0.473 435 A N -0.873 121.975 122.820 0.046 0.000 1.879 435 A HA 0.205 4.517 4.320 -0.013 0.000 0.222 435 A C 1.856 179.477 177.584 0.062 0.000 1.368 435 A CA 4.721 56.787 52.037 0.047 0.000 0.707 435 A CB -1.310 17.717 19.000 0.046 0.000 0.846 435 A HN 2.449 nan 8.150 nan 0.000 0.468 436 V N -2.919 117.044 119.914 0.082 0.000 2.680 436 V HA 0.590 4.703 4.120 -0.013 0.000 0.309 436 V C -0.540 175.625 176.094 0.118 0.000 1.052 436 V CA -1.346 61.026 62.300 0.119 0.000 0.908 436 V CB 1.748 33.674 31.823 0.172 0.000 1.001 436 V HN 0.428 nan 8.190 nan 0.000 0.431 437 K N 3.975 124.455 120.400 0.133 0.000 2.295 437 K HA 0.521 4.834 4.320 -0.013 0.000 0.270 437 K C -0.433 176.240 176.600 0.121 0.000 1.011 437 K CA -0.292 56.070 56.287 0.125 0.000 0.953 437 K CB 0.988 33.575 32.500 0.144 0.000 0.956 437 K HN 0.728 nan 8.250 nan 0.000 0.477 438 R N 1.063 121.622 120.500 0.098 0.000 2.836 438 R HA 0.499 4.831 4.340 -0.013 0.000 0.269 438 R C -0.747 175.593 176.300 0.066 0.000 1.010 438 R CA -1.004 55.143 56.100 0.078 0.000 0.930 438 R CB 1.337 31.666 30.300 0.049 0.000 1.218 438 R HN 0.386 nan 8.270 nan 0.000 0.473 439 I N 1.911 122.514 120.570 0.055 0.000 2.362 439 I HA 0.172 4.334 4.170 -0.013 0.000 0.289 439 I C -0.358 175.746 176.117 -0.023 0.000 0.994 439 I CA -0.775 60.544 61.300 0.032 0.000 1.158 439 I CB 1.330 39.346 38.000 0.027 0.000 1.315 439 I HN 0.494 nan 8.210 nan 0.000 0.451 440 N N 6.964 125.624 118.700 -0.067 0.000 2.415 440 N HA 0.071 4.804 4.740 -0.013 0.000 0.250 440 N C 0.907 176.323 175.510 -0.156 0.000 1.127 440 N CA -0.316 52.616 53.050 -0.197 0.000 0.945 440 N CB 0.878 39.113 38.487 -0.420 0.000 1.196 440 N HN 0.375 nan 8.380 nan 0.000 0.499 441 M N 2.590 122.095 119.600 -0.158 0.000 2.149 441 M HA -0.112 4.360 4.480 -0.013 0.000 0.261 441 M C 2.026 178.187 176.300 -0.231 0.000 1.064 441 M CA 1.015 56.235 55.300 -0.133 0.000 1.102 441 M CB -1.683 30.866 32.600 -0.085 0.000 1.369 441 M HN 0.623 nan 8.290 nan 0.000 0.408 442 A N -0.755 121.922 122.820 -0.238 0.000 1.908 442 A HA -0.200 4.112 4.320 -0.013 0.000 0.218 442 A C 2.036 179.412 177.584 -0.347 0.000 1.181 442 A CA 1.720 53.581 52.037 -0.295 0.000 0.627 442 A CB -1.219 17.800 19.000 0.032 0.000 0.818 442 A HN 0.634 nan 8.150 nan 0.000 0.445 443 H N -1.179 117.694 119.070 -0.327 0.000 2.387 443 H HA -0.033 4.516 4.556 -0.013 0.000 0.299 443 H C 2.111 177.230 175.328 -0.349 0.000 1.090 443 H CA 0.936 56.759 56.048 -0.375 0.000 1.332 443 H CB -0.043 29.709 29.762 -0.015 0.000 1.386 443 H HN 0.377 nan 8.280 nan 0.000 0.516 444 L N 0.260 121.406 121.223 -0.129 0.000 2.017 444 L HA -0.218 4.114 4.340 -0.013 0.000 0.208 444 L C 2.283 179.020 176.870 -0.222 0.000 1.073 444 L CA 1.219 55.980 54.840 -0.132 0.000 0.745 444 L CB -0.369 41.638 42.059 -0.087 0.000 0.894 444 L HN 0.446 nan 8.230 nan 0.000 0.432 445 C N -0.003 119.060 119.300 -0.394 0.000 2.429 445 C HA -0.170 4.283 4.460 -0.013 0.000 0.277 445 C C 2.668 177.415 174.990 -0.406 0.000 1.262 445 C CA 0.547 59.256 59.018 -0.514 0.000 1.733 445 C CB -0.728 26.310 27.740 -1.169 0.000 2.010 445 C HN 0.499 nan 8.230 nan 0.000 0.483 446 I N 1.384 121.670 120.570 -0.473 0.000 2.179 446 I HA -0.208 3.954 4.170 -0.013 0.000 0.242 446 I C 2.748 178.710 176.117 -0.257 0.000 1.088 446 I CA 1.682 62.742 61.300 -0.401 0.000 1.357 446 I CB -0.535 37.083 38.000 -0.636 0.000 1.051 446 I HN 0.272 nan 8.210 nan 0.000 0.409 447 A N 0.491 123.137 122.820 -0.290 0.000 1.933 447 A HA -0.094 4.218 4.320 -0.013 0.000 0.218 447 A C 2.214 179.830 177.584 0.053 0.000 1.175 447 A CA 1.854 53.766 52.037 -0.210 0.000 0.628 447 A CB -1.146 17.552 19.000 -0.503 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.097 107.679 108.800 -0.040 0.000 3.284 448 G HA2 0.414 4.366 3.960 -0.013 0.000 0.236 448 G HA3 0.414 4.366 3.960 -0.013 0.000 0.236 448 G C 0.103 174.837 174.900 -0.277 0.000 1.158 448 G CA 0.512 45.463 45.100 -0.249 0.000 0.774 448 G HN 0.361 nan 8.290 nan 0.000 0.545 449 S N -0.373 115.221 115.700 -0.176 0.000 2.566 449 S HA 0.336 4.798 4.470 -0.013 0.000 0.298 449 S C 0.588 175.135 174.600 -0.088 0.000 1.083 449 S CA -0.723 57.399 58.200 -0.129 0.000 0.978 449 S CB 1.277 64.403 63.200 -0.123 0.000 1.073 449 S HN 0.497 nan 8.310 nan 0.000 0.491 450 H N -0.354 118.681 119.070 -0.058 0.000 2.539 450 H HA 0.564 5.112 4.556 -0.013 0.000 0.269 450 H C 0.001 175.322 175.328 -0.012 0.000 0.980 450 H CA 0.102 56.144 56.048 -0.010 0.000 1.152 450 H CB 0.111 29.878 29.762 0.009 0.000 1.407 450 H HN 0.535 nan 8.280 nan 0.000 0.564 451 A N 0.840 123.375 122.820 -0.475 0.000 2.517 451 A HA 0.543 4.855 4.320 -0.013 0.000 0.297 451 A C -1.518 175.864 177.584 -0.338 0.000 1.050 451 A CA -0.560 51.247 52.037 -0.383 0.000 0.694 451 A CB 2.036 20.778 19.000 -0.430 0.000 1.277 451 A HN 0.094 nan 8.150 nan 0.000 0.400 452 V N 4.013 123.690 119.914 -0.394 0.000 2.588 452 V HA 0.603 4.716 4.120 -0.013 0.000 0.304 452 V C -0.640 175.261 176.094 -0.321 0.000 1.042 452 V CA -0.709 61.343 62.300 -0.413 0.000 0.877 452 V CB 1.863 33.269 31.823 -0.695 0.000 0.996 452 V HN 1.038 nan 8.190 nan 0.000 0.425 453 N N 2.840 121.366 118.700 -0.291 0.000 2.284 453 N HA 0.609 5.342 4.740 -0.013 0.000 0.289 453 N C -0.366 175.037 175.510 -0.178 0.000 1.179 453 N CA -0.384 52.545 53.050 -0.202 0.000 0.774 453 N CB 2.875 41.227 38.487 -0.224 0.000 1.548 453 N HN 0.660 nan 8.380 nan 0.000 0.473 454 G N -0.809 107.925 108.800 -0.109 0.000 2.511 454 G HA2 0.431 4.384 3.960 -0.013 0.000 0.316 454 G HA3 0.431 4.384 3.960 -0.013 0.000 0.316 454 G C 0.780 175.742 174.900 0.103 0.000 1.210 454 G CA -0.536 44.556 45.100 -0.013 0.000 0.969 454 G HN 0.603 nan 8.290 nan 0.000 0.492 455 V N -3.410 116.680 119.914 0.293 0.000 3.483 455 V HA 0.680 4.792 4.120 -0.013 0.000 0.301 455 V C 0.613 176.793 176.094 0.143 0.000 1.389 455 V CA 0.335 62.725 62.300 0.149 0.000 1.101 455 V CB -0.849 31.022 31.823 0.080 0.000 0.971 455 V HN 1.283 nan 8.190 nan 0.000 0.434 456 A N -0.155 122.761 122.820 0.159 0.000 2.594 456 A HA 0.628 4.940 4.320 -0.013 0.000 0.296 456 A C 0.697 178.333 177.584 0.086 0.000 1.061 456 A CA -0.182 51.924 52.037 0.116 0.000 0.689 456 A CB 1.225 20.284 19.000 0.098 0.000 1.280 456 A HN 0.008 nan 8.150 nan 0.000 0.406 457 R N 0.852 121.382 120.500 0.049 0.000 2.096 457 R HA -0.182 4.150 4.340 -0.013 0.000 0.240 457 R C 1.740 178.037 176.300 -0.005 0.000 1.139 457 R CA 2.368 58.473 56.100 0.009 0.000 0.952 457 R CB -0.229 30.072 30.300 0.002 0.000 0.854 457 R HN 0.844 nan 8.270 nan 0.000 0.436 458 I N 0.009 120.586 120.570 0.011 0.000 2.252 458 I HA -0.268 3.894 4.170 -0.013 0.000 0.245 458 I C 2.337 178.460 176.117 0.009 0.000 1.102 458 I CA 1.871 63.169 61.300 -0.003 0.000 1.385 458 I CB -0.304 37.694 38.000 -0.002 0.000 1.064 458 I HN 0.311 nan 8.210 nan 0.000 0.414 459 H N 0.650 119.693 119.070 -0.044 0.000 2.319 459 H HA -0.150 4.398 4.556 -0.013 0.000 0.299 459 H C 2.231 177.527 175.328 -0.053 0.000 1.092 459 H CA 2.279 58.297 56.048 -0.050 0.000 1.302 459 H CB -0.378 29.361 29.762 -0.039 0.000 1.373 459 H HN 0.295 nan 8.280 nan 0.000 0.497 460 S N 0.122 115.692 115.700 -0.216 0.000 2.382 460 S HA -0.125 4.337 4.470 -0.013 0.000 0.228 460 S C 1.934 176.405 174.600 -0.215 0.000 1.027 460 S CA 1.225 59.276 58.200 -0.248 0.000 0.991 460 S CB -0.083 63.048 63.200 -0.116 0.000 0.823 460 S HN 0.486 nan 8.310 nan 0.000 0.469 461 E N 1.017 121.117 120.200 -0.166 0.000 2.072 461 E HA -0.005 4.337 4.350 -0.013 0.000 0.191 461 E C 2.018 178.502 176.600 -0.195 0.000 0.985 461 E CA 0.614 56.907 56.400 -0.177 0.000 0.801 461 E CB -0.392 29.236 29.700 -0.120 0.000 0.750 461 E HN 0.486 nan 8.360 nan 0.000 0.452 462 I N 0.986 121.456 120.570 -0.166 0.000 2.264 462 I HA -0.285 3.877 4.170 -0.013 0.000 0.248 462 I C 2.339 178.332 176.117 -0.207 0.000 1.111 462 I CA 0.807 62.014 61.300 -0.154 0.000 1.382 462 I CB -0.131 37.810 38.000 -0.099 0.000 1.060 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.045 121.111 121.223 -0.262 0.000 2.046 463 L HA -0.237 4.096 4.340 -0.013 0.000 0.208 463 L C 2.490 179.243 176.870 -0.194 0.000 1.077 463 L CA 1.517 56.220 54.840 -0.228 0.000 0.747 463 L CB -0.601 41.406 42.059 -0.086 0.000 0.896 463 L HN 0.197 nan 8.230 nan 0.000 0.432 464 K N 0.020 120.229 120.400 -0.319 0.000 2.103 464 K HA -0.130 4.182 4.320 -0.013 0.000 0.204 464 K C 2.141 178.538 176.600 -0.338 0.000 1.052 464 K CA 1.077 57.031 56.287 -0.554 0.000 0.945 464 K CB 0.062 32.017 32.500 -0.909 0.000 0.722 464 K HN 0.230 nan 8.250 nan 0.000 0.443 465 K N -0.338 119.920 120.400 -0.238 0.000 2.186 465 K HA 0.002 4.315 4.320 -0.013 0.000 0.202 465 K C 1.484 178.026 176.600 -0.096 0.000 1.052 465 K CA 1.075 57.278 56.287 -0.139 0.000 0.965 465 K CB 0.371 32.800 32.500 -0.119 0.000 0.746 465 K HN 0.073 nan 8.250 nan 0.000 0.457 466 T N 0.499 114.982 114.554 -0.118 0.000 3.422 466 T HA 0.056 4.398 4.350 -0.013 0.000 0.192 466 T C 1.563 176.201 174.700 -0.103 0.000 0.857 466 T CA -0.299 61.743 62.100 -0.098 0.000 1.400 466 T CB -0.430 68.374 68.868 -0.107 0.000 1.864 466 T HN -0.060 nan 8.240 nan 0.000 0.415 467 I N 0.978 121.422 120.570 -0.210 0.000 2.143 467 I HA -0.171 3.992 4.170 -0.013 0.000 0.245 467 I C 0.762 176.761 176.117 -0.197 0.000 1.068 467 I CA 1.862 62.956 61.300 -0.342 0.000 1.326 467 I CB -0.170 37.403 38.000 -0.712 0.000 1.028 467 I HN 0.362 nan 8.210 nan 0.000 0.412 468 F N -0.328 119.686 119.950 0.108 0.000 2.850 468 F HA 0.226 4.746 4.527 -0.013 0.000 0.306 468 F C 1.754 177.635 175.800 0.136 0.000 1.162 468 F CA -0.485 57.655 58.000 0.233 0.000 1.327 468 F CB -0.164 38.986 39.000 0.250 0.000 0.953 468 F HN -0.116 nan 8.300 nan 0.000 0.507 469 K N 0.988 121.494 120.400 0.177 0.000 2.020 469 K HA -0.217 4.095 4.320 -0.013 0.000 0.212 469 K C 1.328 177.984 176.600 0.093 0.000 1.050 469 K CA 2.174 58.512 56.287 0.085 0.000 0.929 469 K CB -0.050 32.466 32.500 0.027 0.000 0.714 469 K HN 0.240 nan 8.250 nan 0.000 0.443 470 D N -0.136 120.287 120.400 0.038 0.000 2.123 470 D HA -0.171 4.461 4.640 -0.013 0.000 0.196 470 D C 1.837 178.059 176.300 -0.129 0.000 0.992 470 D CA 1.252 55.154 54.000 -0.164 0.000 0.833 470 D CB -0.346 40.250 40.800 -0.340 0.000 0.954 470 D HN 0.232 nan 8.370 nan 0.000 0.455 471 F N -0.236 119.793 119.950 0.132 0.000 2.234 471 F HA -0.138 4.382 4.527 -0.013 0.000 0.299 471 F C 2.297 178.247 175.800 0.251 0.000 1.087 471 F CA 0.462 58.622 58.000 0.266 0.000 1.340 471 F CB -0.509 38.727 39.000 0.394 0.000 1.031 471 F HN -0.024 nan 8.300 nan 0.000 0.500 472 Y N 1.230 121.507 120.300 -0.039 0.000 2.263 472 Y HA -0.128 4.415 4.550 -0.013 0.000 0.292 472 Y C 2.096 177.982 175.900 -0.024 0.000 1.130 472 Y CA 1.437 59.333 58.100 -0.340 0.000 1.179 472 Y CB -0.581 37.502 38.460 -0.629 0.000 0.998 472 Y HN 0.103 nan 8.280 nan 0.000 0.532 473 E N -0.014 120.122 120.200 -0.108 0.000 2.106 473 E HA -0.192 4.151 4.350 -0.013 0.000 0.192 473 E C 2.249 178.901 176.600 0.087 0.000 0.984 473 E CA 0.998 57.355 56.400 -0.073 0.000 0.806 473 E CB -0.198 29.522 29.700 0.034 0.000 0.750 473 E HN 0.437 nan 8.360 nan 0.000 0.458 474 L N 0.840 122.164 121.223 0.168 0.000 2.005 474 L HA -0.096 4.236 4.340 -0.013 0.000 0.207 474 L C 0.180 177.132 176.870 0.136 0.000 1.072 474 L CA 1.529 56.503 54.840 0.224 0.000 0.744 474 L CB 0.098 42.298 42.059 0.236 0.000 0.895 474 L HN 0.074 nan 8.230 nan 0.000 0.433 475 E N 0.014 120.290 120.200 0.126 0.000 2.914 475 E HA 0.173 4.515 4.350 -0.013 0.000 0.246 475 E C -1.987 174.551 176.600 -0.103 0.000 1.146 475 E CA -1.448 54.920 56.400 -0.053 0.000 0.803 475 E CB 1.021 30.653 29.700 -0.113 0.000 1.409 475 E HN 0.205 nan 8.360 nan 0.000 0.392 476 P HA -0.245 nan 4.420 nan 0.000 0.220 476 P C 1.199 178.600 177.300 0.169 0.000 1.148 476 P CA 1.366 64.379 63.100 -0.145 0.000 0.803 476 P CB -0.080 31.403 31.700 -0.363 0.000 0.782 477 H N 0.223 119.403 119.070 0.184 0.000 2.456 477 H HA 0.057 4.606 4.556 -0.013 0.000 0.296 477 H C 1.519 176.941 175.328 0.156 0.000 1.079 477 H CA 0.822 56.964 56.048 0.157 0.000 1.322 477 H CB -0.624 29.200 29.762 0.103 0.000 1.388 477 H HN 0.142 nan 8.280 nan 0.000 0.538 478 K N 0.442 120.759 120.400 -0.138 0.000 2.148 478 K HA 0.013 4.325 4.320 -0.013 0.000 0.204 478 K C -0.027 176.441 176.600 -0.220 0.000 1.050 478 K CA 0.397 56.581 56.287 -0.170 0.000 0.942 478 K CB 0.017 32.279 32.500 -0.397 0.000 0.724 478 K HN 0.106 nan 8.250 nan 0.000 0.446 479 F N 1.995 121.978 119.950 0.054 0.000 2.472 479 F HA 0.109 4.628 4.527 -0.013 0.000 0.364 479 F C 0.628 176.431 175.800 0.005 0.000 1.090 479 F CA -0.028 57.999 58.000 0.045 0.000 1.188 479 F CB 0.680 39.754 39.000 0.124 0.000 1.105 479 F HN -0.029 nan 8.300 nan 0.000 0.536 480 Q N 1.856 121.684 119.800 0.047 0.000 2.892 480 Q HA 0.431 4.764 4.340 -0.013 0.000 0.307 480 Q C -1.138 174.821 176.000 -0.068 0.000 1.039 480 Q CA -1.351 54.437 55.803 -0.025 0.000 0.792 480 Q CB 2.785 31.459 28.738 -0.106 0.000 1.504 480 Q HN 0.633 nan 8.270 nan 0.000 0.487 481 N N 0.184 118.821 118.700 -0.106 0.000 2.242 481 N HA 0.277 5.010 4.740 -0.013 0.000 0.292 481 N C -1.685 173.725 175.510 -0.167 0.000 1.125 481 N CA -0.410 52.576 53.050 -0.107 0.000 0.783 481 N CB 1.485 39.933 38.487 -0.064 0.000 1.558 481 N HN 0.304 nan 8.380 nan 0.000 0.472 482 K N 2.541 122.849 120.400 -0.153 0.000 2.764 482 K HA 0.184 4.497 4.320 -0.013 0.000 0.239 482 K C -1.041 175.568 176.600 0.016 0.000 1.048 482 K CA -0.466 55.706 56.287 -0.193 0.000 1.057 482 K CB 1.220 33.381 32.500 -0.566 0.000 1.251 482 K HN 0.569 nan 8.250 nan 0.000 0.524 483 T N 2.053 116.636 114.554 0.047 0.000 2.908 483 T HA 0.042 4.384 4.350 -0.013 0.000 0.301 483 T C 0.826 175.658 174.700 0.220 0.000 1.019 483 T CA 0.383 62.564 62.100 0.134 0.000 1.152 483 T CB 0.251 69.202 68.868 0.139 0.000 0.966 483 T HN 0.353 nan 8.240 nan 0.000 0.540 484 N N 0.643 119.493 118.700 0.249 0.000 2.267 484 N HA 0.409 5.141 4.740 -0.013 0.000 0.226 484 N C 0.528 176.224 175.510 0.311 0.000 1.314 484 N CA -0.128 53.102 53.050 0.300 0.000 0.887 484 N CB 0.365 38.969 38.487 0.196 0.000 1.120 484 N HN 0.777 nan 8.380 nan 0.000 0.440 485 G N -0.795 108.192 108.800 0.312 0.000 2.645 485 G HA2 0.591 4.543 3.960 -0.013 0.000 0.292 485 G HA3 0.591 4.543 3.960 -0.013 0.000 0.292 485 G C -1.500 173.533 174.900 0.222 0.000 1.415 485 G CA -0.755 44.517 45.100 0.286 0.000 0.785 485 G HN 0.595 nan 8.290 nan 0.000 0.483 486 I N -2.552 118.136 120.570 0.195 0.000 2.934 486 I HA 0.777 4.939 4.170 -0.013 0.000 0.306 486 I C -0.169 176.102 176.117 0.258 0.000 1.110 486 I CA -1.036 60.372 61.300 0.181 0.000 1.019 486 I CB 2.408 40.407 38.000 -0.000 0.000 1.227 486 I HN 0.488 nan 8.210 nan 0.000 0.434 487 T N 3.554 118.322 114.554 0.357 0.000 2.761 487 T HA 0.373 4.716 4.350 -0.013 0.000 0.296 487 T C -1.442 173.377 174.700 0.198 0.000 0.934 487 T CA -1.697 60.536 62.100 0.222 0.000 1.091 487 T CB 0.743 69.686 68.868 0.125 0.000 0.896 487 T HN 0.609 nan 8.240 nan 0.000 0.515 488 P HA -0.022 nan 4.420 nan 0.000 0.225 488 P C 1.181 178.453 177.300 -0.046 0.000 1.148 488 P CA 0.554 63.691 63.100 0.062 0.000 0.779 488 P CB 0.350 32.065 31.700 0.026 0.000 0.780 489 R N 0.268 120.691 120.500 -0.129 0.000 2.070 489 R HA -0.010 4.322 4.340 -0.013 0.000 0.227 489 R C 2.737 178.913 176.300 -0.207 0.000 1.147 489 R CA 1.610 57.583 56.100 -0.212 0.000 0.924 489 R CB -1.118 29.052 30.300 -0.215 0.000 0.827 489 R HN 0.043 nan 8.270 nan 0.000 0.431 490 R N -0.687 119.634 120.500 -0.298 0.000 2.075 490 R HA -0.114 4.218 4.340 -0.013 0.000 0.232 490 R C 1.151 177.103 176.300 -0.579 0.000 1.126 490 R CA 1.604 57.380 56.100 -0.541 0.000 0.963 490 R CB -0.218 29.574 30.300 -0.846 0.000 0.858 490 R HN 0.305 nan 8.270 nan 0.000 0.435 491 W N 0.209 121.461 121.300 -0.080 0.000 3.377 491 W HA 0.122 4.774 4.660 -0.014 0.000 0.277 491 W C 0.931 177.415 176.519 -0.059 0.000 1.311 491 W CA -0.675 56.623 57.345 -0.079 0.000 1.703 491 W CB 0.323 29.743 29.460 -0.068 0.000 1.095 491 W HN 0.258 nan 8.180 nan 0.000 0.715 492 L N -2.488 118.788 121.223 0.089 0.000 2.884 492 L HA 0.156 4.489 4.340 -0.013 0.000 0.155 492 L C 1.747 178.628 176.870 0.019 0.000 1.296 492 L CA 0.634 55.521 54.840 0.078 0.000 0.946 492 L CB -0.861 41.267 42.059 0.115 0.000 1.862 492 L HN -0.277 nan 8.230 nan 0.000 0.529 493 V N 1.412 121.313 119.914 -0.021 0.000 2.324 493 V HA -0.281 3.831 4.120 -0.013 0.000 0.250 493 V C 2.440 178.499 176.094 -0.058 0.000 1.060 493 V CA 2.556 64.830 62.300 -0.042 0.000 1.042 493 V CB -0.718 31.045 31.823 -0.101 0.000 0.650 493 V HN 0.524 nan 8.190 nan 0.000 0.450 494 L N 0.358 121.519 121.223 -0.104 0.000 2.049 494 L HA -0.147 4.185 4.340 -0.013 0.000 0.203 494 L C 2.489 179.293 176.870 -0.110 0.000 1.074 494 L CA 2.169 56.933 54.840 -0.127 0.000 0.749 494 L CB -0.227 41.706 42.059 -0.211 0.000 0.907 494 L HN 0.633 nan 8.230 nan 0.000 0.439 495 C N -1.643 117.587 119.300 -0.117 0.000 2.514 495 C HA 0.197 4.650 4.460 -0.013 0.000 0.271 495 C C 1.136 176.107 174.990 -0.032 0.000 1.399 495 C CA -0.301 58.669 59.018 -0.081 0.000 1.765 495 C CB -1.078 26.618 27.740 -0.074 0.000 1.893 495 C HN 0.582 nan 8.230 nan 0.000 0.531 496 N N 1.068 119.759 118.700 -0.015 0.000 2.711 496 N HA 0.285 5.017 4.740 -0.013 0.000 0.263 496 N C -1.843 173.675 175.510 0.014 0.000 1.667 496 N CA -1.513 51.540 53.050 0.005 0.000 0.785 496 N CB 0.830 39.327 38.487 0.018 0.000 1.231 496 N HN 0.230 nan 8.380 nan 0.000 0.503 497 P HA -0.019 nan 4.420 nan 0.000 0.220 497 P C 1.365 178.678 177.300 0.022 0.000 1.148 497 P CA 0.810 63.919 63.100 0.014 0.000 0.803 497 P CB 0.288 31.990 31.700 0.003 0.000 0.782 498 G N 0.695 109.503 108.800 0.014 0.000 2.421 498 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.216 498 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.216 498 G C 1.497 176.402 174.900 0.009 0.000 1.171 498 G CA 0.626 45.731 45.100 0.009 0.000 0.775 498 G HN 0.256 nan 8.290 nan 0.000 0.543 499 L N 1.226 122.456 121.223 0.011 0.000 2.109 499 L HA 0.296 4.629 4.340 -0.013 0.000 0.207 499 L C 3.008 179.906 176.870 0.047 0.000 1.086 499 L CA 1.955 56.799 54.840 0.007 0.000 0.760 499 L CB -0.674 41.391 42.059 0.010 0.000 0.910 499 L HN 0.216 nan 8.230 nan 0.000 0.437 500 A N -0.645 122.224 122.820 0.082 0.000 1.933 500 A HA -0.241 4.071 4.320 -0.013 0.000 0.218 500 A C 2.233 179.912 177.584 0.158 0.000 1.175 500 A CA 1.722 53.859 52.037 0.167 0.000 0.628 500 A CB -0.667 18.421 19.000 0.147 0.000 0.814 500 A HN 0.551 nan 8.150 nan 0.000 0.444 501 E N 0.876 121.130 120.200 0.090 0.000 2.051 501 E HA -0.176 4.166 4.350 -0.013 0.000 0.192 501 E C 1.844 178.486 176.600 0.070 0.000 0.991 501 E CA 1.694 58.138 56.400 0.074 0.000 0.799 501 E CB -0.545 29.180 29.700 0.041 0.000 0.748 501 E HN 0.740 nan 8.360 nan 0.000 0.449 502 I N -1.805 118.799 120.570 0.057 0.000 2.493 502 I HA -0.121 4.041 4.170 -0.013 0.000 0.254 502 I C 2.158 178.358 176.117 0.138 0.000 1.160 502 I CA 1.107 62.454 61.300 0.078 0.000 1.445 502 I CB -0.329 37.687 38.000 0.026 0.000 1.086 502 I HN 0.028 nan 8.210 nan 0.000 0.433 503 I N 1.961 122.588 120.570 0.094 0.000 2.286 503 I HA -0.164 3.999 4.170 -0.013 0.000 0.245 503 I C 2.984 179.063 176.117 -0.063 0.000 1.104 503 I CA 1.293 62.585 61.300 -0.013 0.000 1.397 503 I CB -0.378 37.497 38.000 -0.208 0.000 1.072 503 I HN 0.288 nan 8.210 nan 0.000 0.417 504 A N 0.199 123.071 122.820 0.086 0.000 1.972 504 A HA -0.217 4.096 4.320 -0.013 0.000 0.219 504 A C 2.154 179.770 177.584 0.054 0.000 1.169 504 A CA 1.520 53.652 52.037 0.158 0.000 0.635 504 A CB -0.543 18.582 19.000 0.209 0.000 0.810 504 A HN 0.425 nan 8.150 nan 0.000 0.446 505 E N -0.648 119.567 120.200 0.025 0.000 2.153 505 E HA -0.179 4.163 4.350 -0.013 0.000 0.194 505 E C 2.240 178.805 176.600 -0.058 0.000 0.988 505 E CA 1.112 57.511 56.400 -0.000 0.000 0.811 505 E CB -0.003 29.705 29.700 0.013 0.000 0.746 505 E HN 0.523 nan 8.360 nan 0.000 0.466 506 R N 0.033 120.438 120.500 -0.157 0.000 2.103 506 R HA 0.086 4.418 4.340 -0.013 0.000 0.212 506 R C 2.305 178.496 176.300 -0.181 0.000 1.107 506 R CA 0.819 56.735 56.100 -0.307 0.000 1.025 506 R CB -0.290 29.485 30.300 -0.875 0.000 0.929 506 R HN 0.278 nan 8.270 nan 0.000 0.456 507 I N -2.320 118.158 120.570 -0.153 0.000 4.025 507 I HA 0.443 4.606 4.170 -0.013 0.000 0.336 507 I C 0.488 176.636 176.117 0.051 0.000 1.390 507 I CA 0.098 61.371 61.300 -0.045 0.000 1.099 507 I CB 0.834 38.787 38.000 -0.079 0.000 1.049 507 I HN 0.217 nan 8.210 nan 0.000 0.394 508 G N 1.805 110.651 108.800 0.076 0.000 2.660 508 G HA2 -0.202 3.750 3.960 -0.013 0.000 0.247 508 G HA3 -0.202 3.750 3.960 -0.013 0.000 0.247 508 G C -0.050 174.990 174.900 0.233 0.000 1.328 508 G CA 0.135 45.309 45.100 0.123 0.000 0.884 508 G HN 0.397 nan 8.290 nan 0.000 0.531 509 E N -0.522 119.765 120.200 0.145 0.000 2.473 509 E HA 0.093 4.436 4.350 -0.013 0.000 0.204 509 E C 1.769 178.339 176.600 -0.050 0.000 0.994 509 E CA -0.088 56.338 56.400 0.044 0.000 0.945 509 E CB 0.313 30.026 29.700 0.021 0.000 0.990 509 E HN 0.458 nan 8.360 nan 0.000 0.493 510 E N 0.507 120.742 120.200 0.058 0.000 2.401 510 E HA -0.165 4.177 4.350 -0.013 0.000 0.199 510 E C 1.506 178.123 176.600 0.029 0.000 1.023 510 E CA 0.704 57.129 56.400 0.041 0.000 0.859 510 E CB 0.064 29.804 29.700 0.067 0.000 0.780 510 E HN 0.503 nan 8.360 nan 0.000 0.523 511 Y N -1.087 119.222 120.300 0.016 0.000 2.439 511 Y HA -0.048 4.495 4.550 -0.011 0.000 0.292 511 Y C 1.853 177.737 175.900 -0.026 0.000 1.130 511 Y CA 0.339 58.440 58.100 0.001 0.000 1.254 511 Y CB -0.389 38.074 38.460 0.004 0.000 1.000 511 Y HN -0.099 nan 8.280 nan 0.000 0.554 512 I N 1.266 121.386 120.570 -0.751 0.000 2.335 512 I HA -0.220 3.943 4.170 -0.013 0.000 0.251 512 I C 1.580 177.477 176.117 -0.367 0.000 1.129 512 I CA 1.816 62.728 61.300 -0.647 0.000 1.402 512 I CB -1.360 36.168 38.000 -0.786 0.000 1.069 512 I HN 0.529 nan 8.210 nan 0.000 0.424 513 S N -1.578 114.012 115.700 -0.184 0.000 2.650 513 S HA 0.205 4.668 4.470 -0.013 0.000 0.240 513 S C 0.243 174.841 174.600 -0.003 0.000 1.007 513 S CA -0.430 57.734 58.200 -0.061 0.000 0.984 513 S CB 0.404 63.641 63.200 0.061 0.000 0.910 513 S HN 0.301 nan 8.310 nan 0.000 0.509 514 D N 0.929 121.334 120.400 0.008 0.000 2.978 514 D HA 0.232 4.864 4.640 -0.013 0.000 0.268 514 D C 0.653 177.004 176.300 0.085 0.000 1.252 514 D CA -0.344 53.682 54.000 0.043 0.000 0.771 514 D CB -0.067 40.763 40.800 0.050 0.000 1.361 514 D HN 0.109 nan 8.370 nan 0.000 0.558 515 L N 0.455 121.728 121.223 0.084 0.000 2.351 515 L HA -0.130 4.203 4.340 -0.013 0.000 0.220 515 L C 1.058 177.982 176.870 0.090 0.000 1.127 515 L CA 1.187 56.103 54.840 0.127 0.000 0.786 515 L CB 0.073 42.196 42.059 0.105 0.000 0.914 515 L HN 0.308 nan 8.230 nan 0.000 0.443 516 D N -0.350 120.080 120.400 0.051 0.000 2.218 516 D HA -0.205 4.427 4.640 -0.013 0.000 0.204 516 D C 1.981 178.302 176.300 0.035 0.000 0.976 516 D CA 0.881 54.895 54.000 0.023 0.000 0.853 516 D CB 0.012 40.815 40.800 0.005 0.000 0.939 516 D HN 0.482 nan 8.370 nan 0.000 0.481 517 Q N -0.140 119.697 119.800 0.063 0.000 2.508 517 Q HA -0.112 4.221 4.340 -0.013 0.000 0.214 517 Q C 1.675 177.689 176.000 0.024 0.000 0.979 517 Q CA 0.117 55.956 55.803 0.060 0.000 0.911 517 Q CB 0.074 28.876 28.738 0.107 0.000 0.969 517 Q HN 0.173 nan 8.270 nan 0.000 0.504 518 L N 0.486 121.717 121.223 0.014 0.000 2.362 518 L HA -0.135 4.198 4.340 -0.013 0.000 0.219 518 L C 2.004 178.866 176.870 -0.014 0.000 1.134 518 L CA 1.415 56.228 54.840 -0.045 0.000 0.807 518 L CB -0.391 41.658 42.059 -0.017 0.000 0.927 518 L HN 0.121 nan 8.230 nan 0.000 0.447 519 R N -0.465 120.038 120.500 0.005 0.000 2.127 519 R HA -0.162 4.170 4.340 -0.013 0.000 0.238 519 R C 1.895 178.201 176.300 0.010 0.000 1.134 519 R CA 0.941 57.047 56.100 0.009 0.000 0.975 519 R CB -0.175 30.127 30.300 0.004 0.000 0.865 519 R HN 0.403 nan 8.270 nan 0.000 0.447 520 K N 0.575 120.980 120.400 0.010 0.000 2.442 520 K HA -0.082 4.230 4.320 -0.013 0.000 0.198 520 K C 1.813 178.460 176.600 0.077 0.000 1.044 520 K CA 0.674 56.977 56.287 0.028 0.000 0.948 520 K CB -0.015 32.507 32.500 0.036 0.000 0.762 520 K HN 0.236 nan 8.250 nan 0.000 0.472 521 L N 0.522 121.772 121.223 0.045 0.000 2.478 521 L HA -0.107 4.226 4.340 -0.013 0.000 0.223 521 L C 1.843 178.777 176.870 0.108 0.000 1.140 521 L CA 0.030 54.909 54.840 0.065 0.000 0.842 521 L CB -0.142 41.913 42.059 -0.005 0.000 0.953 521 L HN 0.140 nan 8.230 nan 0.000 0.452 522 L N 0.128 121.383 121.223 0.053 0.000 2.127 522 L HA -0.200 4.132 4.340 -0.013 0.000 0.211 522 L C 2.694 179.552 176.870 -0.021 0.000 1.089 522 L CA 2.022 56.878 54.840 0.026 0.000 0.757 522 L CB -0.857 41.205 42.059 0.004 0.000 0.899 522 L HN 0.339 nan 8.230 nan 0.000 0.434 523 S N -2.692 112.949 115.700 -0.099 0.000 2.607 523 S HA -0.075 4.388 4.470 -0.013 0.000 0.224 523 S C 1.160 175.489 174.600 -0.452 0.000 0.969 523 S CA 0.231 58.271 58.200 -0.266 0.000 0.927 523 S CB -0.531 62.458 63.200 -0.352 0.000 0.772 523 S HN 0.477 nan 8.310 nan 0.000 0.533 524 Y N -0.564 119.657 120.300 -0.130 0.000 2.557 524 Y HA 0.432 4.979 4.550 -0.004 0.000 0.247 524 Y C 1.845 177.755 175.900 0.017 0.000 1.164 524 Y CA -0.560 57.450 58.100 -0.151 0.000 1.218 524 Y CB 0.269 38.419 38.460 -0.516 0.000 1.210 524 Y HN 0.262 nan 8.280 nan 0.000 0.529 525 V N 0.416 120.402 119.914 0.120 0.000 2.867 525 V HA -0.204 3.908 4.120 -0.013 0.000 0.260 525 V C 0.812 176.969 176.094 0.105 0.000 1.099 525 V CA 2.180 64.560 62.300 0.133 0.000 1.122 525 V CB -0.031 31.836 31.823 0.072 0.000 0.708 525 V HN 0.363 nan 8.190 nan 0.000 0.490 526 D N -0.987 119.455 120.400 0.070 0.000 2.469 526 D HA 0.127 4.760 4.640 -0.013 0.000 0.215 526 D C 0.277 176.620 176.300 0.071 0.000 1.154 526 D CA -0.093 53.939 54.000 0.054 0.000 0.832 526 D CB 0.201 41.010 40.800 0.015 0.000 1.008 526 D HN 0.418 nan 8.370 nan 0.000 0.506 527 D N 1.565 122.038 120.400 0.121 0.000 2.371 527 D HA -0.036 4.596 4.640 -0.013 0.000 0.256 527 D C 1.224 177.626 176.300 0.170 0.000 1.193 527 D CA 0.073 54.167 54.000 0.156 0.000 0.881 527 D CB 1.606 42.565 40.800 0.265 0.000 1.143 527 D HN -0.240 nan 8.370 nan 0.000 0.473 528 E N 3.282 123.551 120.200 0.115 0.000 2.110 528 E HA -0.110 4.232 4.350 -0.013 0.000 0.193 528 E C 1.661 178.320 176.600 0.098 0.000 0.988 528 E CA 1.273 57.727 56.400 0.090 0.000 0.804 528 E CB -0.200 29.536 29.700 0.059 0.000 0.745 528 E HN 0.602 nan 8.360 nan 0.000 0.458 529 A N -0.364 122.529 122.820 0.122 0.000 1.873 529 A HA -0.113 4.199 4.320 -0.013 0.000 0.215 529 A C 2.278 179.950 177.584 0.148 0.000 1.186 529 A CA 1.142 53.247 52.037 0.113 0.000 0.616 529 A CB -0.950 18.118 19.000 0.115 0.000 0.823 529 A HN 0.371 nan 8.150 nan 0.000 0.442 530 F N 0.394 120.365 119.950 0.035 0.000 2.095 530 F HA -0.189 4.331 4.527 -0.011 0.000 0.298 530 F C 2.070 177.882 175.800 0.019 0.000 1.104 530 F CA 1.756 59.765 58.000 0.015 0.000 1.232 530 F CB -0.129 38.896 39.000 0.041 0.000 0.987 530 F HN 0.164 nan 8.300 nan 0.000 0.475 531 I N 0.067 120.695 120.570 0.097 0.000 2.208 531 I HA -0.351 3.811 4.170 -0.013 0.000 0.245 531 I C 2.543 178.623 176.117 -0.063 0.000 1.097 531 I CA 1.617 62.914 61.300 -0.004 0.000 1.363 531 I CB -0.464 37.571 38.000 0.058 0.000 1.051 531 I HN 0.089 nan 8.210 nan 0.000 0.413 532 R N 0.804 121.287 120.500 -0.028 0.000 2.081 532 R HA -0.190 4.143 4.340 -0.013 0.000 0.235 532 R C 1.890 178.145 176.300 -0.076 0.000 1.131 532 R CA 1.871 57.950 56.100 -0.036 0.000 0.960 532 R CB -0.124 30.173 30.300 -0.006 0.000 0.856 532 R HN 0.278 nan 8.270 nan 0.000 0.436 533 D N -0.371 119.961 120.400 -0.114 0.000 2.084 533 D HA -0.122 4.510 4.640 -0.013 0.000 0.196 533 D C 1.959 178.123 176.300 -0.226 0.000 0.985 533 D CA 1.347 55.256 54.000 -0.152 0.000 0.826 533 D CB -0.331 40.379 40.800 -0.150 0.000 0.978 533 D HN 0.055 nan 8.370 nan 0.000 0.456 534 V N 1.516 121.192 119.914 -0.396 0.000 2.324 534 V HA -0.289 3.824 4.120 -0.013 0.000 0.250 534 V C 2.476 178.474 176.094 -0.160 0.000 1.060 534 V CA 2.027 64.116 62.300 -0.351 0.000 1.042 534 V CB -0.800 30.763 31.823 -0.433 0.000 0.650 534 V HN 0.209 nan 8.190 nan 0.000 0.450 535 A N -0.890 121.858 122.820 -0.121 0.000 1.969 535 A HA -0.222 4.091 4.320 -0.013 0.000 0.218 535 A C 2.349 179.898 177.584 -0.058 0.000 1.169 535 A CA 1.945 53.947 52.037 -0.059 0.000 0.635 535 A CB -0.403 18.569 19.000 -0.046 0.000 0.810 535 A HN 0.539 nan 8.150 nan 0.000 0.445 536 K N 0.188 120.546 120.400 -0.070 0.000 2.031 536 K HA -0.097 4.216 4.320 -0.013 0.000 0.205 536 K C 2.006 178.580 176.600 -0.044 0.000 1.049 536 K CA 1.646 57.902 56.287 -0.052 0.000 0.939 536 K CB -0.348 32.123 32.500 -0.048 0.000 0.717 536 K HN 0.406 nan 8.250 nan 0.000 0.438 537 V N 0.050 119.931 119.914 -0.054 0.000 2.407 537 V HA -0.205 3.907 4.120 -0.013 0.000 0.248 537 V C 2.220 178.301 176.094 -0.022 0.000 1.055 537 V CA 2.107 64.386 62.300 -0.035 0.000 1.049 537 V CB -0.714 31.083 31.823 -0.043 0.000 0.662 537 V HN 0.211 nan 8.190 nan 0.000 0.455 538 K N 0.695 121.080 120.400 -0.025 0.000 2.097 538 K HA -0.206 4.107 4.320 -0.013 0.000 0.206 538 K C 2.258 178.841 176.600 -0.027 0.000 1.049 538 K CA 2.119 58.401 56.287 -0.008 0.000 0.933 538 K CB -0.622 31.888 32.500 0.016 0.000 0.717 538 K HN 0.580 nan 8.250 nan 0.000 0.442 539 Q N 0.934 120.710 119.800 -0.039 0.000 2.123 539 Q HA -0.056 4.276 4.340 -0.013 0.000 0.199 539 Q C 1.603 177.587 176.000 -0.027 0.000 0.966 539 Q CA 1.786 57.557 55.803 -0.054 0.000 0.845 539 Q CB -0.022 28.686 28.738 -0.051 0.000 0.907 539 Q HN 0.517 nan 8.270 nan 0.000 0.439 540 E N -0.565 119.629 120.200 -0.010 0.000 2.106 540 E HA -0.133 4.209 4.350 -0.013 0.000 0.192 540 E C 1.667 178.289 176.600 0.037 0.000 0.984 540 E CA 0.882 57.289 56.400 0.012 0.000 0.806 540 E CB 0.021 29.726 29.700 0.009 0.000 0.750 540 E HN 0.377 nan 8.360 nan 0.000 0.458 541 N N 0.935 119.655 118.700 0.034 0.000 2.120 541 N HA -0.137 4.596 4.740 -0.013 0.000 0.188 541 N C 1.471 177.057 175.510 0.125 0.000 1.024 541 N CA 1.088 54.177 53.050 0.065 0.000 0.852 541 N CB -0.076 38.435 38.487 0.040 0.000 1.003 541 N HN 0.106 nan 8.380 nan 0.000 0.424 542 K N 0.468 120.911 120.400 0.071 0.000 2.097 542 K HA 0.014 4.326 4.320 -0.013 0.000 0.205 542 K C 2.058 178.766 176.600 0.180 0.000 1.050 542 K CA 0.603 56.948 56.287 0.097 0.000 0.938 542 K CB -0.120 32.198 32.500 -0.302 0.000 0.718 542 K HN 0.118 nan 8.250 nan 0.000 0.442 543 L N 1.022 122.301 121.223 0.093 0.000 2.056 543 L HA -0.161 4.172 4.340 -0.013 0.000 0.207 543 L C 2.579 179.534 176.870 0.141 0.000 1.078 543 L CA 1.120 56.020 54.840 0.100 0.000 0.749 543 L CB -0.237 41.856 42.059 0.057 0.000 0.901 543 L HN 0.097 nan 8.230 nan 0.000 0.433 544 K N -0.460 120.033 120.400 0.155 0.000 2.097 544 K HA -0.180 4.133 4.320 -0.013 0.000 0.205 544 K C 2.154 178.903 176.600 0.248 0.000 1.050 544 K CA 1.410 57.800 56.287 0.170 0.000 0.938 544 K CB -0.153 32.435 32.500 0.145 0.000 0.718 544 K HN 0.120 nan 8.250 nan 0.000 0.442 545 F N 1.409 121.445 119.950 0.142 0.000 2.163 545 F HA -0.053 4.467 4.527 -0.013 0.000 0.297 545 F C 2.084 178.011 175.800 0.212 0.000 1.094 545 F CA 1.097 59.193 58.000 0.159 0.000 1.290 545 F CB -0.491 38.599 39.000 0.150 0.000 1.017 545 F HN -0.005 nan 8.300 nan 0.000 0.483 546 A N 0.195 123.135 122.820 0.200 0.000 1.978 546 A HA -0.080 4.232 4.320 -0.013 0.000 0.220 546 A C 2.382 179.967 177.584 0.002 0.000 1.170 546 A CA 1.850 53.928 52.037 0.068 0.000 0.636 546 A CB -1.430 17.668 19.000 0.164 0.000 0.810 546 A HN 0.468 nan 8.150 nan 0.000 0.448 547 A N -1.329 121.530 122.820 0.065 0.000 1.854 547 A HA 0.000 4.312 4.320 -0.013 0.000 0.214 547 A C 2.107 179.720 177.584 0.048 0.000 1.192 547 A CA 1.452 53.528 52.037 0.064 0.000 0.611 547 A CB -0.932 18.122 19.000 0.089 0.000 0.832 547 A HN 0.767 nan 8.150 nan 0.000 0.442 548 Y N 0.320 120.579 120.300 -0.068 0.000 2.114 548 Y HA -0.261 4.281 4.550 -0.012 0.000 0.282 548 Y C 1.905 177.737 175.900 -0.113 0.000 1.165 548 Y CA 1.901 59.957 58.100 -0.073 0.000 1.148 548 Y CB -0.472 37.961 38.460 -0.045 0.000 0.972 548 Y HN 0.192 nan 8.280 nan 0.000 0.504 549 L N 1.001 122.197 121.223 -0.045 0.000 1.990 549 L HA -0.264 4.068 4.340 -0.013 0.000 0.213 549 L C 2.425 179.253 176.870 -0.070 0.000 1.072 549 L CA 2.283 57.066 54.840 -0.096 0.000 0.755 549 L CB -1.172 40.742 42.059 -0.240 0.000 0.889 549 L HN 0.382 nan 8.230 nan 0.000 0.432 550 E N -1.652 118.514 120.200 -0.056 0.000 2.152 550 E HA -0.166 4.176 4.350 -0.013 0.000 0.192 550 E C 2.280 178.838 176.600 -0.070 0.000 0.983 550 E CA 0.459 56.846 56.400 -0.020 0.000 0.818 550 E CB 0.069 29.791 29.700 0.037 0.000 0.758 550 E HN 0.361 nan 8.360 nan 0.000 0.467 551 R N 0.683 121.108 120.500 -0.125 0.000 2.109 551 R HA -0.160 4.172 4.340 -0.013 0.000 0.227 551 R C 2.054 178.197 176.300 -0.263 0.000 1.132 551 R CA 1.683 57.683 56.100 -0.167 0.000 0.907 551 R CB -0.078 30.114 30.300 -0.180 0.000 0.825 551 R HN -0.013 nan 8.270 nan 0.000 0.432 552 E N -1.572 118.337 120.200 -0.485 0.000 2.299 552 E HA -0.077 4.265 4.350 -0.013 0.000 0.193 552 E C 0.807 176.977 176.600 -0.717 0.000 0.998 552 E CA 0.884 56.877 56.400 -0.678 0.000 0.851 552 E CB 0.369 29.430 29.700 -1.065 0.000 0.795 552 E HN 0.390 nan 8.360 nan 0.000 0.492 553 Y N -0.302 119.870 120.300 -0.213 0.000 2.452 553 Y HA 0.282 4.825 4.550 -0.013 0.000 0.262 553 Y C -0.337 175.530 175.900 -0.055 0.000 1.089 553 Y CA -0.464 57.576 58.100 -0.099 0.000 1.262 553 Y CB 0.830 39.251 38.460 -0.066 0.000 1.236 553 Y HN -0.345 nan 8.280 nan 0.000 0.512 554 K N 1.061 121.495 120.400 0.057 0.000 6.228 554 K HA -0.075 4.237 4.320 -0.013 0.000 0.581 554 K C -0.647 175.991 176.600 0.063 0.000 1.437 554 K CA 0.944 57.256 56.287 0.043 0.000 1.549 554 K CB -1.585 30.930 32.500 0.025 0.000 1.807 554 K HN 0.465 nan 8.250 nan 0.000 0.358 555 V N -2.548 117.408 119.914 0.070 0.000 5.849 555 V HA 0.019 4.132 4.120 -0.013 0.000 0.732 555 V C -0.148 176.021 176.094 0.125 0.000 2.085 555 V CA -0.062 62.292 62.300 0.090 0.000 3.844 555 V CB -1.038 30.834 31.823 0.081 0.000 0.124 555 V HN 0.972 nan 8.190 nan 0.000 0.581 556 H N 0.884 119.958 119.070 0.007 0.000 2.991 556 H HA -0.090 4.459 4.556 -0.013 0.000 0.255 556 H C -0.281 175.050 175.328 0.005 0.000 0.700 556 H CA 1.878 57.931 56.048 0.009 0.000 0.964 556 H CB 0.085 29.857 29.762 0.017 0.000 1.230 556 H HN 1.342 nan 8.280 nan 0.000 0.450 557 I N 0.128 120.346 120.570 -0.586 0.000 3.195 557 I HA 0.439 4.601 4.170 -0.013 0.000 0.313 557 I C -0.643 175.219 176.117 -0.424 0.000 1.237 557 I CA -1.295 59.809 61.300 -0.327 0.000 0.963 557 I CB 2.226 40.122 38.000 -0.173 0.000 1.278 557 I HN 0.610 nan 8.210 nan 0.000 0.460 558 N N 3.024 121.679 118.700 -0.074 0.000 2.469 558 N HA 0.514 5.246 4.740 -0.013 0.000 0.253 558 N C -2.224 173.363 175.510 0.128 0.000 0.970 558 N CA -2.519 50.545 53.050 0.024 0.000 0.940 558 N CB 1.619 40.148 38.487 0.070 0.000 1.128 558 N HN 0.330 nan 8.380 nan 0.000 0.503 559 P HA 0.029 nan 4.420 nan 0.000 0.231 559 P C -0.034 177.177 177.300 -0.149 0.000 1.158 559 P CA 1.017 64.097 63.100 -0.035 0.000 0.763 559 P CB 0.193 31.890 31.700 -0.005 0.000 0.805 560 N N -1.139 117.536 118.700 -0.042 0.000 2.392 560 N HA -0.010 4.722 4.740 -0.013 0.000 0.177 560 N C 0.680 176.190 175.510 -0.001 0.000 1.066 560 N CA -0.044 52.988 53.050 -0.030 0.000 0.895 560 N CB 0.027 38.523 38.487 0.015 0.000 0.988 560 N HN 0.143 nan 8.380 nan 0.000 0.457 561 S N 0.357 116.060 115.700 0.006 0.000 2.617 561 S HA 0.137 4.599 4.470 -0.013 0.000 0.259 561 S C 0.094 174.626 174.600 -0.112 0.000 1.301 561 S CA -0.795 57.405 58.200 0.000 0.000 0.984 561 S CB 0.794 64.026 63.200 0.053 0.000 0.954 561 S HN 0.168 nan 8.310 nan 0.000 0.572 562 L N 1.472 122.504 121.223 -0.319 0.000 2.360 562 L HA 0.380 4.712 4.340 -0.013 0.000 0.276 562 L C -0.854 175.978 176.870 -0.064 0.000 1.121 562 L CA -0.565 53.893 54.840 -0.637 0.000 0.845 562 L CB -0.067 41.355 42.059 -1.063 0.000 1.143 562 L HN 0.715 nan 8.230 nan 0.000 0.452 563 F N 4.140 123.950 119.950 -0.234 0.000 2.423 563 F HA 0.087 4.607 4.527 -0.012 0.000 0.356 563 F C 0.453 176.180 175.800 -0.122 0.000 1.170 563 F CA -0.831 57.099 58.000 -0.116 0.000 1.163 563 F CB 0.515 39.495 39.000 -0.032 0.000 1.318 563 F HN 0.517 nan 8.300 nan 0.000 0.569 564 D N 4.784 125.180 120.400 -0.006 0.000 2.411 564 D HA 0.197 4.830 4.640 -0.013 0.000 0.225 564 D C -0.945 175.290 176.300 -0.109 0.000 1.156 564 D CA 0.093 54.044 54.000 -0.082 0.000 0.874 564 D CB 1.221 41.960 40.800 -0.102 0.000 1.034 564 D HN 0.254 nan 8.370 nan 0.000 0.502 565 V N 3.044 122.881 119.914 -0.129 0.000 2.656 565 V HA 0.556 4.668 4.120 -0.013 0.000 0.307 565 V C -1.390 174.558 176.094 -0.244 0.000 1.051 565 V CA -0.697 61.508 62.300 -0.158 0.000 0.893 565 V CB 1.944 33.720 31.823 -0.077 0.000 0.999 565 V HN 0.509 nan 8.190 nan 0.000 0.426 566 Q N 4.588 124.253 119.800 -0.225 0.000 2.394 566 Q HA 0.665 4.997 4.340 -0.013 0.000 0.261 566 Q C -1.562 174.268 176.000 -0.284 0.000 1.023 566 Q CA -0.655 55.001 55.803 -0.244 0.000 0.720 566 Q CB 1.893 30.517 28.738 -0.191 0.000 1.241 566 Q HN 1.147 nan 8.270 nan 0.000 0.483 567 V N 2.288 122.019 119.914 -0.305 0.000 2.443 567 V HA 0.832 4.944 4.120 -0.013 0.000 0.293 567 V C -0.845 174.985 176.094 -0.440 0.000 1.021 567 V CA -0.576 61.356 62.300 -0.613 0.000 0.848 567 V CB 1.141 32.346 31.823 -1.031 0.000 0.998 567 V HN 0.798 nan 8.190 nan 0.000 0.424 568 K N 2.821 123.038 120.400 -0.305 0.000 2.809 568 K HA 0.464 4.776 4.320 -0.013 0.000 0.293 568 K C -1.230 175.392 176.600 0.035 0.000 1.061 568 K CA -1.037 55.243 56.287 -0.011 0.000 0.837 568 K CB 1.156 33.630 32.500 -0.043 0.000 1.524 568 K HN 0.448 nan 8.250 nan 0.000 0.370 569 R N 0.766 121.338 120.500 0.120 0.000 2.698 569 R HA 0.176 4.508 4.340 -0.013 0.000 0.266 569 R C 0.390 176.723 176.300 0.055 0.000 1.026 569 R CA -0.328 55.850 56.100 0.130 0.000 1.102 569 R CB -0.163 30.261 30.300 0.207 0.000 0.978 569 R HN 0.472 nan 8.270 nan 0.000 0.436 570 I N 4.264 124.838 120.570 0.008 0.000 2.452 570 I HA 0.112 4.274 4.170 -0.013 0.000 0.287 570 I C 0.818 176.828 176.117 -0.179 0.000 1.079 570 I CA 0.579 61.829 61.300 -0.083 0.000 1.387 570 I CB -0.224 37.717 38.000 -0.098 0.000 1.404 570 I HN 0.287 nan 8.210 nan 0.000 0.522 571 H N 4.166 123.137 119.070 -0.165 0.000 3.016 571 H HA 0.266 4.815 4.556 -0.013 0.000 0.362 571 H C 0.303 175.520 175.328 -0.184 0.000 1.233 571 H CA -0.473 55.518 56.048 -0.095 0.000 1.124 571 H CB 2.170 31.820 29.762 -0.186 0.000 1.850 571 H HN 0.508 nan 8.280 nan 0.000 0.549 572 E N 0.776 121.047 120.200 0.118 0.000 2.158 572 E HA -0.144 4.198 4.350 -0.013 0.000 0.191 572 E C 1.345 177.678 176.600 -0.445 0.000 0.982 572 E CA 0.876 57.264 56.400 -0.020 0.000 0.823 572 E CB 0.135 30.014 29.700 0.299 0.000 0.766 572 E HN 0.507 nan 8.360 nan 0.000 0.468 573 Y N 0.606 120.368 120.300 -0.896 0.000 2.457 573 Y HA 0.059 4.601 4.550 -0.013 0.000 0.292 573 Y C 1.526 177.164 175.900 -0.436 0.000 1.125 573 Y CA 0.557 57.980 58.100 -1.128 0.000 1.254 573 Y CB 0.109 37.939 38.460 -1.050 0.000 1.012 573 Y HN -0.224 nan 8.280 nan 0.000 0.555 574 K N 1.067 121.001 120.400 -0.776 0.000 2.366 574 K HA 0.013 4.326 4.320 -0.013 0.000 0.198 574 K C 0.220 176.641 176.600 -0.297 0.000 1.044 574 K CA 0.682 56.620 56.287 -0.582 0.000 0.973 574 K CB -0.169 32.021 32.500 -0.516 0.000 0.767 574 K HN 0.400 nan 8.250 nan 0.000 0.475 575 R N 0.832 121.190 120.500 -0.236 0.000 3.336 575 R HA -0.186 4.146 4.340 -0.013 0.000 0.260 575 R C 0.597 176.818 176.300 -0.131 0.000 1.032 575 R CA 0.201 56.215 56.100 -0.143 0.000 0.693 575 R CB -1.872 28.358 30.300 -0.117 0.000 1.134 575 R HN 0.218 nan 8.270 nan 0.000 0.433 576 Q N 0.136 119.858 119.800 -0.129 0.000 2.291 576 Q HA -0.018 4.314 4.340 -0.013 0.000 0.206 576 Q C 1.821 177.772 176.000 -0.081 0.000 0.976 576 Q CA 1.293 57.032 55.803 -0.105 0.000 0.875 576 Q CB 0.084 28.763 28.738 -0.099 0.000 0.927 576 Q HN 0.595 nan 8.270 nan 0.000 0.450 577 L N -0.584 120.594 121.223 -0.075 0.000 2.083 577 L HA -0.175 4.157 4.340 -0.013 0.000 0.209 577 L C 1.961 178.828 176.870 -0.004 0.000 1.083 577 L CA 0.561 55.370 54.840 -0.051 0.000 0.752 577 L CB -0.291 41.748 42.059 -0.034 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N -0.161 121.050 121.223 -0.020 0.000 2.141 578 L HA -0.207 4.125 4.340 -0.013 0.000 0.209 578 L C 1.968 178.865 176.870 0.045 0.000 1.094 578 L CA 1.805 56.641 54.840 -0.007 0.000 0.763 578 L CB -0.772 41.188 42.059 -0.165 0.000 0.908 578 L HN 0.274 nan 8.230 nan 0.000 0.437 579 N N -1.854 116.850 118.700 0.007 0.000 2.188 579 N HA -0.209 4.523 4.740 -0.013 0.000 0.184 579 N C 1.924 177.515 175.510 0.135 0.000 1.018 579 N CA 1.365 54.495 53.050 0.133 0.000 0.858 579 N CB -0.099 38.406 38.487 0.030 0.000 0.989 579 N HN 0.474 nan 8.380 nan 0.000 0.426 580 C N 0.577 119.895 119.300 0.030 0.000 2.432 580 C HA -0.059 4.393 4.460 -0.013 0.000 0.277 580 C C 2.574 177.569 174.990 0.009 0.000 1.249 580 C CA 0.350 59.343 59.018 -0.041 0.000 1.725 580 C CB -1.234 26.429 27.740 -0.128 0.000 2.028 580 C HN 0.521 nan 8.230 nan 0.000 0.477 581 L N -0.152 121.134 121.223 0.104 0.000 2.079 581 L HA -0.222 4.110 4.340 -0.013 0.000 0.210 581 L C 2.735 179.772 176.870 0.279 0.000 1.081 581 L CA 1.895 56.849 54.840 0.190 0.000 0.752 581 L CB -1.083 41.156 42.059 0.301 0.000 0.896 581 L HN 0.619 nan 8.230 nan 0.000 0.433 582 H N -0.239 118.957 119.070 0.210 0.000 2.357 582 H HA -0.116 4.432 4.556 -0.013 0.000 0.301 582 H C 2.246 177.581 175.328 0.011 0.000 1.082 582 H CA 1.692 57.789 56.048 0.082 0.000 1.342 582 H CB 0.351 30.111 29.762 -0.004 0.000 1.389 582 H HN 0.087 nan 8.280 nan 0.000 0.511 583 V N 1.514 121.355 119.914 -0.122 0.000 2.287 583 V HA -0.269 3.843 4.120 -0.013 0.000 0.248 583 V C 2.819 178.846 176.094 -0.111 0.000 1.053 583 V CA 1.883 64.072 62.300 -0.186 0.000 1.027 583 V CB -0.503 31.259 31.823 -0.101 0.000 0.646 583 V HN 0.380 nan 8.190 nan 0.000 0.447 584 I N -0.361 120.183 120.570 -0.042 0.000 2.286 584 I HA -0.220 3.942 4.170 -0.013 0.000 0.248 584 I C 2.483 178.669 176.117 0.116 0.000 1.115 584 I CA 1.657 63.005 61.300 0.080 0.000 1.392 584 I CB -0.543 37.491 38.000 0.057 0.000 1.065 584 I HN 0.324 nan 8.210 nan 0.000 0.418 585 T N 1.042 115.615 114.554 0.031 0.000 2.708 585 T HA -0.145 4.197 4.350 -0.013 0.000 0.266 585 T C 1.865 176.529 174.700 -0.061 0.000 1.037 585 T CA 1.150 63.259 62.100 0.016 0.000 1.146 585 T CB -0.226 68.671 68.868 0.048 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.243 121.356 121.223 -0.183 0.000 2.012 586 L HA -0.062 4.270 4.340 -0.013 0.000 0.210 586 L C 2.072 178.912 176.870 -0.051 0.000 1.073 586 L CA 1.637 56.368 54.840 -0.182 0.000 0.748 586 L CB -1.142 40.743 42.059 -0.291 0.000 0.891 586 L HN 0.371 nan 8.230 nan 0.000 0.431 587 Y N 0.339 120.581 120.300 -0.097 0.000 2.097 587 Y HA -0.328 4.214 4.550 -0.013 0.000 0.282 587 Y C 2.474 178.357 175.900 -0.028 0.000 1.152 587 Y CA 1.988 60.071 58.100 -0.029 0.000 1.136 587 Y CB -0.124 38.369 38.460 0.055 0.000 0.975 587 Y HN 0.287 nan 8.280 nan 0.000 0.498 588 N N 0.381 119.062 118.700 -0.032 0.000 2.223 588 N HA -0.143 4.590 4.740 -0.013 0.000 0.185 588 N C 1.777 177.186 175.510 -0.168 0.000 1.016 588 N CA 1.482 54.442 53.050 -0.150 0.000 0.863 588 N CB -0.325 38.135 38.487 -0.046 0.000 0.983 588 N HN 0.463 nan 8.380 nan 0.000 0.429 589 R N 0.201 120.626 120.500 -0.124 0.000 2.090 589 R HA 0.115 4.447 4.340 -0.013 0.000 0.228 589 R C 2.155 178.373 176.300 -0.136 0.000 1.110 589 R CA 0.627 56.659 56.100 -0.114 0.000 0.973 589 R CB -0.174 30.070 30.300 -0.095 0.000 0.869 589 R HN 0.230 nan 8.270 nan 0.000 0.440 590 I N 0.963 121.432 120.570 -0.168 0.000 2.252 590 I HA -0.243 3.919 4.170 -0.013 0.000 0.245 590 I C 1.970 177.970 176.117 -0.195 0.000 1.102 590 I CA 1.158 62.357 61.300 -0.168 0.000 1.385 590 I CB -0.081 37.820 38.000 -0.164 0.000 1.064 590 I HN 0.000 nan 8.210 nan 0.000 0.414 591 K N 0.723 120.944 120.400 -0.299 0.000 2.283 591 K HA -0.171 4.142 4.320 -0.013 0.000 0.202 591 K C 1.961 178.458 176.600 -0.172 0.000 1.048 591 K CA 0.912 57.032 56.287 -0.279 0.000 0.948 591 K CB -0.172 32.074 32.500 -0.422 0.000 0.742 591 K HN 0.154 nan 8.250 nan 0.000 0.458 592 K N 1.835 122.144 120.400 -0.151 0.000 2.098 592 K HA -0.044 4.269 4.320 -0.013 0.000 0.203 592 K C 0.126 176.678 176.600 -0.080 0.000 1.051 592 K CA 1.125 57.348 56.287 -0.105 0.000 0.957 592 K CB 0.408 32.850 32.500 -0.097 0.000 0.738 592 K HN 0.047 nan 8.250 nan 0.000 0.447 593 E N 0.831 120.984 120.200 -0.079 0.000 3.037 593 E HA 0.181 4.524 4.350 -0.013 0.000 0.220 593 E C -2.343 174.223 176.600 -0.056 0.000 1.142 593 E CA -1.763 54.604 56.400 -0.055 0.000 0.888 593 E CB 1.530 31.204 29.700 -0.044 0.000 1.329 593 E HN 0.090 nan 8.360 nan 0.000 0.409 594 P HA -0.173 nan 4.420 nan 0.000 0.216 594 P C 0.346 177.631 177.300 -0.025 0.000 1.153 594 P CA 1.288 64.358 63.100 -0.050 0.000 0.858 594 P CB 0.138 31.812 31.700 -0.043 0.000 0.789 595 N N -0.962 117.731 118.700 -0.011 0.000 2.362 595 N HA 0.016 4.749 4.740 -0.013 0.000 0.211 595 N C 0.417 175.945 175.510 0.029 0.000 1.170 595 N CA 0.035 53.092 53.050 0.011 0.000 0.828 595 N CB -0.086 38.407 38.487 0.009 0.000 1.034 595 N HN 0.082 nan 8.380 nan 0.000 0.475 596 K N 1.031 121.443 120.400 0.020 0.000 2.159 596 K HA 0.178 4.491 4.320 -0.013 0.000 0.266 596 K C -1.023 175.621 176.600 0.073 0.000 0.975 596 K CA -0.638 55.676 56.287 0.045 0.000 0.865 596 K CB 0.790 33.296 32.500 0.010 0.000 1.087 596 K HN -0.056 nan 8.250 nan 0.000 0.446 597 F N 4.500 124.438 119.950 -0.021 0.000 2.443 597 F HA 0.259 4.778 4.527 -0.013 0.000 0.353 597 F C -0.494 175.293 175.800 -0.022 0.000 1.101 597 F CA -0.042 57.947 58.000 -0.019 0.000 1.226 597 F CB 0.718 39.709 39.000 -0.014 0.000 1.140 597 F HN 0.200 nan 8.300 nan 0.000 0.557 598 V N 3.820 123.110 119.914 -1.041 0.000 2.971 598 V HA 0.507 4.620 4.120 -0.013 0.000 0.309 598 V C -0.815 174.645 176.094 -1.056 0.000 1.130 598 V CA -1.263 60.579 62.300 -0.763 0.000 0.964 598 V CB 0.896 32.490 31.823 -0.382 0.000 1.029 598 V HN 0.589 nan 8.190 nan 0.000 0.427 599 V N 4.573 124.147 119.914 -0.567 0.000 2.493 599 V HA 0.197 4.309 4.120 -0.013 0.000 0.292 599 V C -1.783 174.146 176.094 -0.275 0.000 1.016 599 V CA -0.442 61.669 62.300 -0.316 0.000 1.097 599 V CB 0.406 32.170 31.823 -0.099 0.000 0.947 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.365 nan 4.420 nan 0.000 0.269 600 P C -0.472 176.742 177.300 -0.143 0.000 1.209 600 P CA -0.118 62.899 63.100 -0.139 0.000 0.776 600 P CB 0.561 32.229 31.700 -0.053 0.000 0.876 601 R N 0.558 120.990 120.500 -0.114 0.000 2.698 601 R HA 0.602 4.935 4.340 -0.013 0.000 0.275 601 R C -0.942 175.327 176.300 -0.051 0.000 1.001 601 R CA -0.610 55.426 56.100 -0.107 0.000 0.896 601 R CB 1.987 32.204 30.300 -0.139 0.000 1.218 601 R HN 0.275 nan 8.270 nan 0.000 0.462 602 T N 1.896 116.441 114.554 -0.016 0.000 2.864 602 T HA 0.233 4.576 4.350 -0.013 0.000 0.310 602 T C -0.869 173.756 174.700 -0.124 0.000 1.040 602 T CA -0.580 61.477 62.100 -0.072 0.000 0.977 602 T CB 1.174 69.971 68.868 -0.119 0.000 0.976 602 T HN 0.353 nan 8.240 nan 0.000 0.459 603 V N 4.844 124.687 119.914 -0.119 0.000 2.370 603 V HA 0.686 4.799 4.120 -0.013 0.000 0.279 603 V C -0.527 175.482 176.094 -0.142 0.000 1.029 603 V CA -0.692 61.537 62.300 -0.118 0.000 0.870 603 V CB 0.730 32.504 31.823 -0.082 0.000 0.984 603 V HN 0.872 nan 8.190 nan 0.000 0.451 604 M N 7.576 127.074 119.600 -0.170 0.000 2.114 604 M HA 0.581 5.053 4.480 -0.013 0.000 0.332 604 M C -0.878 175.296 176.300 -0.210 0.000 1.014 604 M CA -0.174 55.013 55.300 -0.189 0.000 0.956 604 M CB 1.771 34.250 32.600 -0.202 0.000 1.551 604 M HN 0.524 nan 8.290 nan 0.000 0.427 605 I N 2.355 122.788 120.570 -0.228 0.000 2.406 605 I HA 0.755 4.917 4.170 -0.013 0.000 0.290 605 I C 0.238 176.016 176.117 -0.564 0.000 0.999 605 I CA -0.564 60.575 61.300 -0.268 0.000 1.124 605 I CB 1.956 39.892 38.000 -0.107 0.000 1.289 605 I HN 0.787 nan 8.210 nan 0.000 0.441 606 G N 3.271 111.709 108.800 -0.605 0.000 2.659 606 G HA2 0.826 4.778 3.960 -0.013 0.000 0.296 606 G HA3 0.826 4.778 3.960 -0.013 0.000 0.296 606 G C -0.958 173.636 174.900 -0.510 0.000 1.369 606 G CA -0.810 43.792 45.100 -0.830 0.000 0.937 606 G HN 0.941 nan 8.290 nan 0.000 0.485 607 G N -0.271 108.379 108.800 -0.251 0.000 2.347 607 G HA2 0.439 4.392 3.960 -0.013 0.000 0.303 607 G HA3 0.439 4.392 3.960 -0.013 0.000 0.303 607 G C -1.495 173.530 174.900 0.209 0.000 1.481 607 G CA -1.003 44.127 45.100 0.049 0.000 0.914 607 G HN 0.607 nan 8.290 nan 0.000 0.638 608 K N -0.296 120.223 120.400 0.197 0.000 2.123 608 K HA 0.777 5.089 4.320 -0.013 0.000 0.259 608 K C 0.108 176.828 176.600 0.199 0.000 0.960 608 K CA -0.266 56.154 56.287 0.221 0.000 0.872 608 K CB 2.031 34.575 32.500 0.074 0.000 1.079 608 K HN 0.876 nan 8.250 nan 0.000 0.440 609 A N 1.519 124.492 122.820 0.255 0.000 2.330 609 A HA 0.673 4.985 4.320 -0.013 0.000 0.327 609 A C -0.563 177.176 177.584 0.257 0.000 1.155 609 A CA -0.739 51.380 52.037 0.137 0.000 0.803 609 A CB 1.118 20.128 19.000 0.015 0.000 1.208 609 A HN 0.779 nan 8.150 nan 0.000 0.477 610 A N 3.689 126.636 122.820 0.212 0.000 2.540 610 A HA 0.466 4.778 4.320 -0.013 0.000 0.239 610 A C -1.351 176.304 177.584 0.119 0.000 1.061 610 A CA -0.738 51.435 52.037 0.226 0.000 0.758 610 A CB -0.366 18.731 19.000 0.162 0.000 0.991 610 A HN 0.602 nan 8.150 nan 0.000 0.502 611 P HA -0.161 nan 4.420 nan 0.000 0.217 611 P C 1.334 178.620 177.300 -0.022 0.000 1.151 611 P CA 2.092 65.131 63.100 -0.101 0.000 0.849 611 P CB 0.177 31.768 31.700 -0.181 0.000 0.787 612 G N -3.164 105.645 108.800 0.014 0.000 3.042 612 G HA2 -0.090 3.862 3.960 -0.013 0.000 0.212 612 G HA3 -0.090 3.862 3.960 -0.013 0.000 0.212 612 G C -0.103 174.833 174.900 0.059 0.000 1.166 612 G CA -0.155 44.957 45.100 0.020 0.000 0.767 612 G HN 0.303 nan 8.290 nan 0.000 0.546 613 Y N 1.929 122.170 120.300 -0.099 0.000 2.636 613 Y HA 0.139 4.681 4.550 -0.013 0.000 0.341 613 Y C 1.739 177.626 175.900 -0.023 0.000 1.169 613 Y CA -0.974 57.054 58.100 -0.120 0.000 1.498 613 Y CB 0.070 38.422 38.460 -0.181 0.000 1.362 613 Y HN 0.311 nan 8.280 nan 0.000 0.494 614 H N 3.904 123.096 119.070 0.204 0.000 2.319 614 H HA -0.227 4.322 4.556 -0.013 0.000 0.299 614 H C 1.825 177.190 175.328 0.061 0.000 1.092 614 H CA 2.279 58.390 56.048 0.104 0.000 1.302 614 H CB 0.372 30.186 29.762 0.088 0.000 1.373 614 H HN 0.699 nan 8.280 nan 0.000 0.497 615 M N 1.149 120.745 119.600 -0.008 0.000 2.065 615 M HA -0.105 4.367 4.480 -0.013 0.000 0.259 615 M C 2.668 178.736 176.300 -0.387 0.000 1.069 615 M CA 1.981 57.185 55.300 -0.161 0.000 1.110 615 M CB -1.041 31.606 32.600 0.078 0.000 1.328 615 M HN 0.352 nan 8.290 nan 0.000 0.405 616 A N -0.391 121.942 122.820 -0.810 0.000 1.948 616 A HA -0.243 4.069 4.320 -0.013 0.000 0.220 616 A C 2.199 179.575 177.584 -0.347 0.000 1.177 616 A CA 2.157 53.747 52.037 -0.746 0.000 0.636 616 A CB -0.758 17.561 19.000 -1.135 0.000 0.815 616 A HN 0.627 nan 8.150 nan 0.000 0.449 617 K N -1.440 118.814 120.400 -0.243 0.000 2.217 617 K HA 0.016 4.329 4.320 -0.013 0.000 0.202 617 K C 1.836 178.399 176.600 -0.062 0.000 1.051 617 K CA 0.988 57.224 56.287 -0.085 0.000 0.952 617 K CB -0.159 32.351 32.500 0.016 0.000 0.736 617 K HN 0.328 nan 8.250 nan 0.000 0.453 618 M N 0.553 120.065 119.600 -0.146 0.000 2.254 618 M HA -0.035 4.438 4.480 -0.013 0.000 0.265 618 M C 2.010 178.259 176.300 -0.084 0.000 1.066 618 M CA 1.324 56.578 55.300 -0.077 0.000 1.123 618 M CB -0.453 32.060 32.600 -0.144 0.000 1.388 618 M HN 0.108 nan 8.290 nan 0.000 0.425 619 I N -0.525 119.954 120.570 -0.152 0.000 2.315 619 I HA -0.284 3.879 4.170 -0.013 0.000 0.248 619 I C 2.243 178.239 176.117 -0.201 0.000 1.117 619 I CA 0.937 62.136 61.300 -0.167 0.000 1.404 619 I CB -0.269 37.629 38.000 -0.171 0.000 1.071 619 I HN 0.156 nan 8.210 nan 0.000 0.419 620 I N 0.762 121.195 120.570 -0.227 0.000 2.226 620 I HA -0.306 3.856 4.170 -0.013 0.000 0.245 620 I C 2.570 178.410 176.117 -0.462 0.000 1.100 620 I CA 1.258 62.334 61.300 -0.374 0.000 1.374 620 I CB -0.220 37.549 38.000 -0.386 0.000 1.057 620 I HN 0.152 nan 8.210 nan 0.000 0.413 621 K N 1.335 121.481 120.400 -0.424 0.000 2.097 621 K HA -0.132 4.180 4.320 -0.013 0.000 0.205 621 K C 1.993 178.440 176.600 -0.255 0.000 1.050 621 K CA 1.383 57.336 56.287 -0.556 0.000 0.938 621 K CB -0.437 31.476 32.500 -0.978 0.000 0.718 621 K HN 0.236 nan 8.250 nan 0.000 0.442 622 L N 0.305 121.410 121.223 -0.197 0.000 2.056 622 L HA -0.119 4.214 4.340 -0.013 0.000 0.207 622 L C 2.109 178.748 176.870 -0.385 0.000 1.078 622 L CA 1.513 56.085 54.840 -0.446 0.000 0.749 622 L CB -0.256 41.457 42.059 -0.576 0.000 0.901 622 L HN 0.243 nan 8.230 nan 0.000 0.433 623 I N -0.070 120.325 120.570 -0.292 0.000 2.163 623 I HA -0.335 3.827 4.170 -0.013 0.000 0.243 623 I C 2.594 178.599 176.117 -0.186 0.000 1.085 623 I CA 1.970 63.147 61.300 -0.205 0.000 1.347 623 I CB -0.570 37.392 38.000 -0.062 0.000 1.044 623 I HN 0.415 nan 8.210 nan 0.000 0.408 624 T N -0.995 113.418 114.554 -0.234 0.000 2.915 624 T HA -0.018 4.325 4.350 -0.013 0.000 0.269 624 T C 1.943 176.563 174.700 -0.132 0.000 1.071 624 T CA 0.852 62.843 62.100 -0.181 0.000 1.132 624 T CB -0.373 68.340 68.868 -0.258 0.000 0.878 624 T HN 0.339 nan 8.240 nan 0.000 0.479 625 A N 1.428 124.164 122.820 -0.141 0.000 1.930 625 A HA 0.182 4.495 4.320 -0.013 0.000 0.217 625 A C 2.324 179.886 177.584 -0.036 0.000 1.175 625 A CA 1.113 53.130 52.037 -0.034 0.000 0.627 625 A CB -0.757 18.304 19.000 0.102 0.000 0.815 625 A HN 0.565 nan 8.150 nan 0.000 0.443 626 I N -0.276 120.165 120.570 -0.216 0.000 2.252 626 I HA -0.167 3.995 4.170 -0.013 0.000 0.245 626 I C 2.657 178.704 176.117 -0.117 0.000 1.102 626 I CA 1.120 62.264 61.300 -0.259 0.000 1.385 626 I CB -0.448 37.294 38.000 -0.430 0.000 1.064 626 I HN 0.379 nan 8.210 nan 0.000 0.414 627 G N 0.158 108.891 108.800 -0.112 0.000 2.422 627 G HA2 -0.231 3.721 3.960 -0.013 0.000 0.218 627 G HA3 -0.231 3.721 3.960 -0.013 0.000 0.218 627 G C 1.271 176.130 174.900 -0.068 0.000 1.146 627 G CA 0.787 45.831 45.100 -0.094 0.000 0.769 627 G HN 0.266 nan 8.290 nan 0.000 0.547 628 D N 0.188 120.591 120.400 0.005 0.000 2.117 628 D HA -0.089 4.544 4.640 -0.013 0.000 0.197 628 D C 2.754 179.144 176.300 0.150 0.000 0.987 628 D CA 0.757 54.832 54.000 0.125 0.000 0.829 628 D CB -0.314 40.534 40.800 0.080 0.000 0.961 628 D HN 0.219 nan 8.370 nan 0.000 0.460 629 V N 0.447 120.378 119.914 0.027 0.000 2.255 629 V HA -0.171 3.941 4.120 -0.013 0.000 0.243 629 V C 2.674 178.713 176.094 -0.091 0.000 1.038 629 V CA 0.946 63.210 62.300 -0.060 0.000 1.008 629 V CB -0.496 31.233 31.823 -0.158 0.000 0.645 629 V HN 0.025 nan 8.190 nan 0.000 0.449 630 V N 0.959 120.755 119.914 -0.197 0.000 2.332 630 V HA -0.248 3.864 4.120 -0.013 0.000 0.248 630 V C 2.144 178.192 176.094 -0.078 0.000 1.055 630 V CA 2.182 64.376 62.300 -0.177 0.000 1.038 630 V CB -0.923 30.788 31.823 -0.185 0.000 0.651 630 V HN 0.577 nan 8.190 nan 0.000 0.450 631 N N -0.512 118.069 118.700 -0.197 0.000 2.550 631 N HA -0.076 4.656 4.740 -0.013 0.000 0.186 631 N C 1.101 176.321 175.510 -0.483 0.000 1.110 631 N CA 0.858 53.701 53.050 -0.346 0.000 0.912 631 N CB -0.264 37.941 38.487 -0.470 0.000 0.968 631 N HN 0.706 nan 8.380 nan 0.000 0.448 632 H N -1.646 117.438 119.070 0.023 0.000 2.662 632 H HA 0.214 4.763 4.556 -0.012 0.000 0.268 632 H C -0.625 174.730 175.328 0.046 0.000 1.152 632 H CA -0.495 55.569 56.048 0.026 0.000 1.072 632 H CB 0.685 30.450 29.762 0.005 0.000 1.660 632 H HN -0.039 nan 8.280 nan 0.000 0.584 633 D N 1.634 122.119 120.400 0.142 0.000 2.313 633 D HA 0.064 4.696 4.640 -0.013 0.000 0.239 633 D C -1.651 174.715 176.300 0.111 0.000 1.142 633 D CA -2.143 51.953 54.000 0.160 0.000 0.847 633 D CB 1.803 42.773 40.800 0.284 0.000 1.082 633 D HN 0.099 nan 8.370 nan 0.000 0.480 634 P HA -0.119 nan 4.420 nan 0.000 0.218 634 P C 1.590 178.917 177.300 0.044 0.000 1.149 634 P CA 0.377 63.513 63.100 0.059 0.000 0.817 634 P CB 0.434 32.163 31.700 0.049 0.000 0.785 635 V N -0.554 119.384 119.914 0.039 0.000 2.490 635 V HA -0.166 3.946 4.120 -0.013 0.000 0.250 635 V C 2.435 178.534 176.094 0.008 0.000 1.061 635 V CA 1.487 63.795 62.300 0.013 0.000 1.064 635 V CB -0.982 30.835 31.823 -0.010 0.000 0.670 635 V HN -0.016 nan 8.190 nan 0.000 0.461 636 V N -0.258 119.676 119.914 0.034 0.000 2.453 636 V HA 0.095 4.208 4.120 -0.013 0.000 0.247 636 V C 1.804 177.912 176.094 0.024 0.000 1.048 636 V CA 1.492 63.813 62.300 0.034 0.000 1.049 636 V CB -1.125 30.763 31.823 0.108 0.000 0.672 636 V HN 0.736 nan 8.190 nan 0.000 0.457 637 G N 1.475 110.296 108.800 0.034 0.000 2.556 637 G HA2 -0.410 3.542 3.960 -0.013 0.000 0.283 637 G HA3 -0.410 3.542 3.960 -0.013 0.000 0.283 637 G C 0.277 175.196 174.900 0.030 0.000 1.177 637 G CA 0.633 45.752 45.100 0.032 0.000 0.978 637 G HN 0.731 nan 8.290 nan 0.000 0.554 638 D N -0.147 120.272 120.400 0.032 0.000 2.388 638 D HA 0.329 4.961 4.640 -0.013 0.000 0.221 638 D C 1.871 178.178 176.300 0.011 0.000 1.133 638 D CA 0.228 54.249 54.000 0.036 0.000 0.831 638 D CB 0.138 40.974 40.800 0.061 0.000 0.962 638 D HN 0.570 nan 8.370 nan 0.000 0.502 639 R N -0.607 119.887 120.500 -0.010 0.000 2.193 639 R HA 0.258 4.590 4.340 -0.013 0.000 0.213 639 R C -0.172 176.093 176.300 -0.058 0.000 1.055 639 R CA 0.361 56.429 56.100 -0.053 0.000 0.995 639 R CB 0.155 30.403 30.300 -0.086 0.000 0.893 639 R HN 0.171 nan 8.270 nan 0.000 0.459 640 L N 0.730 121.936 121.223 -0.028 0.000 2.516 640 L HA 0.383 4.716 4.340 -0.013 0.000 0.267 640 L C -1.589 175.265 176.870 -0.028 0.000 0.957 640 L CA -0.524 54.297 54.840 -0.031 0.000 0.860 640 L CB 1.676 43.729 42.059 -0.010 0.000 1.265 640 L HN -0.127 nan 8.230 nan 0.000 0.403 641 R N 4.135 124.605 120.500 -0.050 0.000 2.621 641 R HA 0.741 5.073 4.340 -0.013 0.000 0.292 641 R C -1.494 174.754 176.300 -0.086 0.000 0.969 641 R CA -0.834 55.225 56.100 -0.069 0.000 0.887 641 R CB 2.338 32.598 30.300 -0.067 0.000 1.180 641 R HN 0.382 nan 8.270 nan 0.000 0.450 642 V N 4.954 124.811 119.914 -0.094 0.000 2.350 642 V HA 0.456 4.568 4.120 -0.013 0.000 0.285 642 V C -0.083 175.964 176.094 -0.078 0.000 1.014 642 V CA -0.603 61.641 62.300 -0.092 0.000 0.831 642 V CB 1.405 33.168 31.823 -0.100 0.000 1.000 642 V HN 0.578 nan 8.190 nan 0.000 0.433 643 I N 4.763 125.285 120.570 -0.080 0.000 2.465 643 I HA 0.449 4.611 4.170 -0.013 0.000 0.291 643 I C -0.776 175.317 176.117 -0.040 0.000 1.014 643 I CA -0.448 60.815 61.300 -0.061 0.000 1.093 643 I CB 2.051 39.990 38.000 -0.102 0.000 1.267 643 I HN 0.565 nan 8.210 nan 0.000 0.431 644 F N 7.659 127.539 119.950 -0.117 0.000 2.371 644 F HA 0.434 4.954 4.527 -0.012 0.000 0.363 644 F C -0.651 175.077 175.800 -0.121 0.000 1.122 644 F CA -0.762 57.169 58.000 -0.115 0.000 1.129 644 F CB 0.587 39.525 39.000 -0.104 0.000 1.173 644 F HN 0.144 nan 8.300 nan 0.000 0.489 645 L N 5.911 126.729 121.223 -0.676 0.000 2.456 645 L HA 0.123 4.455 4.340 -0.013 0.000 0.277 645 L C 0.391 176.961 176.870 -0.500 0.000 1.124 645 L CA 0.266 54.818 54.840 -0.479 0.000 0.880 645 L CB -0.087 41.765 42.059 -0.344 0.000 1.192 645 L HN 0.623 nan 8.230 nan 0.000 0.463 646 E N 3.078 123.117 120.200 -0.268 0.000 2.383 646 E HA -0.002 4.340 4.350 -0.013 0.000 0.264 646 E C 0.501 177.142 176.600 0.068 0.000 1.050 646 E CA -0.285 56.111 56.400 -0.006 0.000 0.896 646 E CB 0.343 30.040 29.700 -0.004 0.000 0.982 646 E HN 0.519 nan 8.360 nan 0.000 0.424 647 N N 2.323 121.136 118.700 0.189 0.000 2.705 647 N HA -0.284 4.449 4.740 -0.013 0.000 0.255 647 N C -1.522 174.087 175.510 0.166 0.000 1.008 647 N CA 0.513 53.678 53.050 0.190 0.000 0.742 647 N CB -1.352 37.270 38.487 0.225 0.000 0.906 647 N HN 0.425 nan 8.380 nan 0.000 0.541 648 Y N 1.433 121.736 120.300 0.004 0.000 2.721 648 Y HA 0.153 4.695 4.550 -0.013 0.000 0.329 648 Y C 1.147 177.060 175.900 0.022 0.000 1.211 648 Y CA 0.421 58.509 58.100 -0.021 0.000 1.512 648 Y CB 0.298 38.714 38.460 -0.073 0.000 1.249 648 Y HN 0.367 nan 8.280 nan 0.000 0.549 649 R N 2.470 122.674 120.500 -0.494 0.000 2.781 649 R HA 0.492 4.824 4.340 -0.013 0.000 0.268 649 R C -0.134 175.829 176.300 -0.562 0.000 1.047 649 R CA -0.674 55.176 56.100 -0.417 0.000 0.925 649 R CB 0.358 30.598 30.300 -0.099 0.000 1.246 649 R HN 0.344 nan 8.270 nan 0.000 0.456 650 V N 1.100 120.707 119.914 -0.512 0.000 2.252 650 V HA -0.307 3.805 4.120 -0.013 0.000 0.249 650 V C 2.586 178.553 176.094 -0.211 0.000 1.056 650 V CA 2.904 64.973 62.300 -0.385 0.000 1.022 650 V CB -0.827 30.726 31.823 -0.450 0.000 0.641 650 V HN 0.957 nan 8.190 nan 0.000 0.445 651 S N 0.090 115.685 115.700 -0.174 0.000 2.400 651 S HA -0.194 4.269 4.470 -0.013 0.000 0.232 651 S C 1.921 176.476 174.600 -0.075 0.000 1.025 651 S CA 1.755 59.886 58.200 -0.113 0.000 0.993 651 S CB -0.549 62.616 63.200 -0.060 0.000 0.808 651 S HN 0.393 nan 8.310 nan 0.000 0.478 652 L N 1.895 123.079 121.223 -0.064 0.000 2.179 652 L HA 0.370 4.702 4.340 -0.013 0.000 0.208 652 L C 2.603 179.476 176.870 0.005 0.000 1.096 652 L CA 1.297 56.139 54.840 0.003 0.000 0.779 652 L CB -1.381 40.736 42.059 0.098 0.000 0.922 652 L HN 0.345 nan 8.230 nan 0.000 0.443 653 A N -0.613 122.192 122.820 -0.026 0.000 1.933 653 A HA -0.207 4.105 4.320 -0.013 0.000 0.218 653 A C 2.084 179.710 177.584 0.071 0.000 1.175 653 A CA 1.640 53.732 52.037 0.093 0.000 0.628 653 A CB -0.589 18.445 19.000 0.057 0.000 0.814 653 A HN 0.591 nan 8.150 nan 0.000 0.444 654 E N -0.433 119.799 120.200 0.053 0.000 2.401 654 E HA -0.147 4.196 4.350 -0.013 0.000 0.199 654 E C 1.702 178.259 176.600 -0.072 0.000 1.023 654 E CA 1.025 57.421 56.400 -0.007 0.000 0.859 654 E CB -0.028 29.582 29.700 -0.150 0.000 0.780 654 E HN 0.624 nan 8.360 nan 0.000 0.523 655 K N -0.193 120.137 120.400 -0.116 0.000 2.214 655 K HA -0.003 4.309 4.320 -0.013 0.000 0.201 655 K C 2.153 178.507 176.600 -0.410 0.000 1.049 655 K CA 0.765 56.951 56.287 -0.169 0.000 0.978 655 K CB 0.432 32.837 32.500 -0.159 0.000 0.842 655 K HN -0.009 nan 8.250 nan 0.000 0.474 656 V N 0.545 120.128 119.914 -0.552 0.000 2.407 656 V HA -0.132 3.980 4.120 -0.013 0.000 0.245 656 V C 2.163 177.986 176.094 -0.452 0.000 1.041 656 V CA 1.152 62.954 62.300 -0.829 0.000 1.040 656 V CB -0.746 30.720 31.823 -0.595 0.000 0.671 656 V HN 0.161 nan 8.190 nan 0.000 0.455 657 I N 1.001 121.337 120.570 -0.391 0.000 2.151 657 I HA -0.152 4.011 4.170 -0.013 0.000 0.243 657 I C -0.107 175.852 176.117 -0.264 0.000 1.080 657 I CA 1.881 62.859 61.300 -0.537 0.000 1.339 657 I CB -1.585 36.000 38.000 -0.691 0.000 1.039 657 I HN 0.369 nan 8.210 nan 0.000 0.409 658 P HA -0.079 nan 4.420 nan 0.000 0.226 658 P C 0.860 178.148 177.300 -0.021 0.000 1.153 658 P CA 1.153 64.213 63.100 -0.066 0.000 0.777 658 P CB 0.047 31.722 31.700 -0.043 0.000 0.794 659 A N -1.229 121.562 122.820 -0.047 0.000 2.308 659 A HA 0.529 4.841 4.320 -0.013 0.000 0.217 659 A C 1.113 178.814 177.584 0.195 0.000 1.216 659 A CA 0.007 52.087 52.037 0.071 0.000 0.864 659 A CB -0.559 18.500 19.000 0.098 0.000 0.902 659 A HN 0.190 nan 8.150 nan 0.000 0.499 660 A N -0.200 122.715 122.820 0.157 0.000 2.327 660 A HA 0.510 4.822 4.320 -0.013 0.000 0.283 660 A C 0.311 178.049 177.584 0.256 0.000 1.127 660 A CA -0.231 51.968 52.037 0.269 0.000 0.810 660 A CB 0.415 19.672 19.000 0.428 0.000 1.066 660 A HN 0.252 nan 8.150 nan 0.000 0.492 661 D N 0.486 121.033 120.400 0.244 0.000 2.490 661 D HA 0.129 4.761 4.640 -0.013 0.000 0.244 661 D C 0.056 176.547 176.300 0.317 0.000 0.979 661 D CA 0.693 54.870 54.000 0.294 0.000 0.924 661 D CB 0.252 41.136 40.800 0.140 0.000 1.075 661 D HN 0.362 nan 8.370 nan 0.000 0.488 662 L N 1.243 122.550 121.223 0.139 0.000 2.333 662 L HA 0.302 4.635 4.340 -0.013 0.000 0.280 662 L C -0.638 176.122 176.870 -0.183 0.000 1.004 662 L CA -0.286 54.565 54.840 0.018 0.000 0.820 662 L CB 1.997 44.030 42.059 -0.043 0.000 1.247 662 L HN -0.136 nan 8.230 nan 0.000 0.416 663 S N 4.324 119.828 115.700 -0.327 0.000 2.442 663 S HA 0.364 4.826 4.470 -0.013 0.000 0.297 663 S C -0.497 173.822 174.600 -0.468 0.000 1.131 663 S CA -0.685 57.061 58.200 -0.758 0.000 1.092 663 S CB 0.920 63.586 63.200 -0.890 0.000 0.998 663 S HN 0.573 nan 8.310 nan 0.000 0.478 664 E N 3.979 123.908 120.200 -0.451 0.000 2.081 664 E HA 0.236 4.579 4.350 -0.013 0.000 0.281 664 E C -0.624 175.859 176.600 -0.194 0.000 0.986 664 E CA -0.505 55.762 56.400 -0.221 0.000 0.796 664 E CB 1.175 30.780 29.700 -0.159 0.000 1.085 664 E HN 0.612 nan 8.360 nan 0.000 0.398 665 Q N 2.926 122.667 119.800 -0.099 0.000 2.965 665 Q HA 0.259 4.591 4.340 -0.013 0.000 0.288 665 Q C 0.614 176.595 176.000 -0.031 0.000 0.974 665 Q CA -0.132 55.625 55.803 -0.077 0.000 0.849 665 Q CB 0.285 28.988 28.738 -0.059 0.000 1.280 665 Q HN 0.622 nan 8.270 nan 0.000 0.441 666 I N -1.422 119.122 120.570 -0.043 0.000 3.626 666 I HA 0.268 4.430 4.170 -0.013 0.000 0.345 666 I C 0.251 176.315 176.117 -0.088 0.000 1.502 666 I CA -0.569 60.716 61.300 -0.025 0.000 1.135 666 I CB 0.117 38.116 38.000 -0.001 0.000 1.456 666 I HN -0.030 nan 8.210 nan 0.000 0.460 667 S N 0.418 116.062 115.700 -0.092 0.000 2.593 667 S HA 0.266 4.728 4.470 -0.013 0.000 0.269 667 S C 0.527 175.109 174.600 -0.031 0.000 1.334 667 S CA -0.376 57.785 58.200 -0.065 0.000 1.015 667 S CB 0.699 63.900 63.200 0.002 0.000 0.912 667 S HN 0.405 nan 8.310 nan 0.000 0.541 668 T N 2.479 117.053 114.554 0.033 0.000 2.853 668 T HA 0.410 4.752 4.350 -0.013 0.000 0.298 668 T C 0.703 175.419 174.700 0.027 0.000 0.978 668 T CA 0.134 62.263 62.100 0.047 0.000 1.152 668 T CB 0.040 69.009 68.868 0.169 0.000 0.914 668 T HN 0.978 nan 8.240 nan 0.000 0.539 669 A N 2.820 125.623 122.820 -0.028 0.000 2.580 669 A HA 0.431 4.743 4.320 -0.013 0.000 0.244 669 A C 1.653 179.233 177.584 -0.007 0.000 1.045 669 A CA 0.358 52.373 52.037 -0.035 0.000 0.761 669 A CB -0.933 18.033 19.000 -0.057 0.000 0.962 669 A HN 1.712 nan 8.150 nan 0.000 0.512 670 G N 1.406 110.202 108.800 -0.007 0.000 2.175 670 G HA2 -0.241 3.712 3.960 -0.013 0.000 0.244 670 G HA3 -0.241 3.712 3.960 -0.013 0.000 0.244 670 G C 0.905 175.802 174.900 -0.006 0.000 0.982 670 G CA 1.141 46.239 45.100 -0.003 0.000 0.641 670 G HN 2.058 nan 8.290 nan 0.000 0.527 671 T N -2.477 112.076 114.554 -0.000 0.000 3.018 671 T HA 0.400 4.743 4.350 -0.013 0.000 0.246 671 T C 0.757 175.339 174.700 -0.196 0.000 1.026 671 T CA 1.100 63.146 62.100 -0.089 0.000 1.081 671 T CB 0.537 69.406 68.868 0.001 0.000 0.970 671 T HN 0.279 nan 8.240 nan 0.000 0.475 672 E N 1.524 121.732 120.200 0.014 0.000 1.996 672 E HA 0.664 5.006 4.350 -0.013 0.000 0.280 672 E C 1.214 177.780 176.600 -0.056 0.000 1.092 672 E CA 0.094 56.544 56.400 0.083 0.000 0.862 672 E CB 0.739 30.529 29.700 0.149 0.000 1.066 672 E HN 0.346 nan 8.360 nan 0.000 0.396 673 A N 3.465 126.178 122.820 -0.178 0.000 1.915 673 A HA -0.262 4.050 4.320 -0.013 0.000 0.220 673 A C 1.972 179.444 177.584 -0.187 0.000 1.198 673 A CA 2.457 54.262 52.037 -0.387 0.000 0.647 673 A CB -0.312 18.303 19.000 -0.642 0.000 0.825 673 A HN 0.628 nan 8.150 nan 0.000 0.456 674 S N -4.400 111.249 115.700 -0.085 0.000 4.428 674 S HA 0.446 4.908 4.470 -0.013 0.000 0.199 674 S C 0.670 175.260 174.600 -0.016 0.000 1.156 674 S CA 1.343 59.531 58.200 -0.020 0.000 1.134 674 S CB -0.195 63.017 63.200 0.019 0.000 1.531 674 S HN 2.368 nan 8.310 nan 0.000 0.551 675 G N 0.261 109.057 108.800 -0.007 0.000 2.705 675 G HA2 -0.010 3.942 3.960 -0.013 0.000 0.686 675 G HA3 -0.010 3.942 3.960 -0.013 0.000 0.686 675 G C 0.212 175.091 174.900 -0.034 0.000 1.285 675 G CA 0.451 45.542 45.100 -0.014 0.000 0.800 675 G HN 1.399 nan 8.290 nan 0.000 0.611 676 T N -2.117 112.403 114.554 -0.056 0.000 3.028 676 T HA 0.394 4.736 4.350 -0.013 0.000 0.262 676 T C 2.286 176.889 174.700 -0.161 0.000 0.916 676 T CA 1.209 63.248 62.100 -0.102 0.000 0.873 676 T CB 0.399 69.201 68.868 -0.110 0.000 1.232 676 T HN 1.861 nan 8.240 nan 0.000 0.529 677 G N 3.247 111.983 108.800 -0.107 0.000 2.418 677 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.217 677 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.217 677 G C 1.468 176.423 174.900 0.093 0.000 1.158 677 G CA 1.136 46.200 45.100 -0.059 0.000 0.771 677 G HN 0.795 nan 8.290 nan 0.000 0.545 678 N N 0.408 119.135 118.700 0.045 0.000 2.094 678 N HA -0.202 4.530 4.740 -0.013 0.000 0.191 678 N C 2.238 177.754 175.510 0.009 0.000 1.023 678 N CA 1.584 54.657 53.050 0.039 0.000 0.857 678 N CB -0.412 38.050 38.487 -0.041 0.000 1.013 678 N HN 0.355 nan 8.380 nan 0.000 0.426 679 M N 0.782 120.319 119.600 -0.104 0.000 2.175 679 M HA -0.040 4.432 4.480 -0.013 0.000 0.264 679 M C 2.057 178.312 176.300 -0.075 0.000 1.063 679 M CA 1.470 56.691 55.300 -0.131 0.000 1.119 679 M CB -0.169 32.348 32.600 -0.139 0.000 1.377 679 M HN 0.098 nan 8.290 nan 0.000 0.415 680 K N 0.163 120.455 120.400 -0.179 0.000 2.063 680 K HA -0.119 4.193 4.320 -0.013 0.000 0.208 680 K C 1.687 178.177 176.600 -0.183 0.000 1.048 680 K CA 1.464 57.575 56.287 -0.292 0.000 0.928 680 K CB -0.257 31.854 32.500 -0.649 0.000 0.713 680 K HN 0.164 nan 8.250 nan 0.000 0.442 681 F N 0.847 120.726 119.950 -0.119 0.000 2.186 681 F HA -0.104 4.415 4.527 -0.013 0.000 0.299 681 F C 2.514 178.288 175.800 -0.044 0.000 1.090 681 F CA 1.087 59.042 58.000 -0.075 0.000 1.307 681 F CB -0.239 38.708 39.000 -0.089 0.000 1.019 681 F HN 0.003 nan 8.300 nan 0.000 0.489 682 M N -0.335 119.351 119.600 0.143 0.000 2.117 682 M HA -0.181 4.291 4.480 -0.013 0.000 0.262 682 M C 1.993 178.349 176.300 0.093 0.000 1.065 682 M CA 1.605 56.962 55.300 0.094 0.000 1.114 682 M CB -0.187 32.466 32.600 0.088 0.000 1.361 682 M HN 0.279 nan 8.290 nan 0.000 0.408 683 L N 0.368 121.644 121.223 0.089 0.000 2.478 683 L HA 0.027 4.359 4.340 -0.013 0.000 0.223 683 L C 1.029 177.943 176.870 0.073 0.000 1.140 683 L CA 1.216 56.112 54.840 0.095 0.000 0.842 683 L CB -0.363 41.764 42.059 0.113 0.000 0.953 683 L HN 0.295 nan 8.230 nan 0.000 0.452 684 N N 0.123 118.856 118.700 0.055 0.000 2.238 684 N HA 0.197 4.929 4.740 -0.013 0.000 0.222 684 N C 0.761 176.303 175.510 0.053 0.000 1.133 684 N CA 0.747 53.820 53.050 0.039 0.000 0.854 684 N CB 0.655 39.137 38.487 -0.008 0.000 1.041 684 N HN 0.365 nan 8.380 nan 0.000 0.510 685 G N 0.637 109.476 108.800 0.065 0.000 2.171 685 G HA2 -0.192 3.760 3.960 -0.013 0.000 0.238 685 G HA3 -0.192 3.760 3.960 -0.013 0.000 0.238 685 G C -0.052 174.920 174.900 0.120 0.000 1.039 685 G CA 0.217 45.360 45.100 0.071 0.000 0.759 685 G HN 0.524 nan 8.290 nan 0.000 0.501 686 A N -0.708 122.190 122.820 0.131 0.000 2.337 686 A HA 0.908 5.220 4.320 -0.013 0.000 0.331 686 A C -0.337 177.270 177.584 0.038 0.000 1.137 686 A CA -0.730 51.409 52.037 0.170 0.000 0.807 686 A CB 1.518 20.690 19.000 0.286 0.000 1.250 686 A HN 0.789 nan 8.150 nan 0.000 0.468 687 L N 0.788 122.011 121.223 -0.000 0.000 2.343 687 L HA 0.569 4.902 4.340 -0.013 0.000 0.275 687 L C 0.412 177.177 176.870 -0.174 0.000 1.056 687 L CA 0.410 55.148 54.840 -0.172 0.000 0.804 687 L CB 1.689 43.565 42.059 -0.304 0.000 1.203 687 L HN 0.738 nan 8.230 nan 0.000 0.440 688 T N 4.417 118.740 114.554 -0.385 0.000 2.771 688 T HA 0.523 4.866 4.350 -0.013 0.000 0.281 688 T C -0.254 174.327 174.700 -0.199 0.000 0.982 688 T CA -0.169 61.685 62.100 -0.410 0.000 0.978 688 T CB 0.871 69.320 68.868 -0.699 0.000 0.930 688 T HN 0.448 nan 8.240 nan 0.000 0.447 689 I N 2.909 123.458 120.570 -0.036 0.000 2.362 689 I HA 0.734 4.896 4.170 -0.013 0.000 0.289 689 I C 0.105 176.375 176.117 0.255 0.000 0.994 689 I CA 0.081 61.478 61.300 0.162 0.000 1.158 689 I CB 0.397 38.422 38.000 0.042 0.000 1.315 689 I HN 0.793 nan 8.210 nan 0.000 0.451 690 G N 4.024 113.049 108.800 0.375 0.000 2.488 690 G HA2 0.442 4.394 3.960 -0.013 0.000 0.301 690 G HA3 0.442 4.394 3.960 -0.013 0.000 0.301 690 G C -1.008 173.791 174.900 -0.167 0.000 1.339 690 G CA -0.217 45.005 45.100 0.203 0.000 0.803 690 G HN 0.600 nan 8.290 nan 0.000 0.482 691 T N -1.797 112.560 114.554 -0.329 0.000 2.927 691 T HA 0.560 4.902 4.350 -0.013 0.000 0.281 691 T C 0.611 175.195 174.700 -0.193 0.000 0.998 691 T CA -0.741 61.096 62.100 -0.438 0.000 1.019 691 T CB 1.383 69.989 68.868 -0.436 0.000 1.061 691 T HN 0.274 nan 8.240 nan 0.000 0.518 692 M N 2.928 122.424 119.600 -0.173 0.000 3.442 692 M HA 0.320 4.792 4.480 -0.013 0.000 0.232 692 M C -0.463 175.783 176.300 -0.089 0.000 1.508 692 M CA -0.033 55.199 55.300 -0.112 0.000 1.647 692 M CB -1.867 30.675 32.600 -0.096 0.000 1.126 692 M HN 0.730 nan 8.290 nan 0.000 0.557 693 D N -0.163 120.190 120.400 -0.079 0.000 2.575 693 D HA 0.678 5.311 4.640 -0.013 0.000 0.236 693 D C 0.752 177.030 176.300 -0.036 0.000 1.075 693 D CA 0.698 54.668 54.000 -0.050 0.000 0.860 693 D CB 1.711 42.483 40.800 -0.046 0.000 1.475 693 D HN 0.585 nan 8.370 nan 0.000 0.474 694 G N 1.711 110.501 108.800 -0.017 0.000 2.627 694 G HA2 -0.262 3.691 3.960 -0.013 0.000 0.312 694 G HA3 -0.262 3.691 3.960 -0.013 0.000 0.312 694 G C 1.026 175.918 174.900 -0.013 0.000 1.299 694 G CA 1.080 46.174 45.100 -0.009 0.000 0.989 694 G HN 1.053 nan 8.290 nan 0.000 0.547 695 A N -0.313 122.492 122.820 -0.024 0.000 2.209 695 A HA 0.104 4.417 4.320 -0.013 0.000 0.212 695 A C 2.098 179.615 177.584 -0.112 0.000 1.158 695 A CA 1.811 53.824 52.037 -0.039 0.000 0.742 695 A CB -0.451 18.509 19.000 -0.068 0.000 0.790 695 A HN 0.614 nan 8.150 nan 0.000 0.472 696 N N 0.478 119.120 118.700 -0.097 0.000 2.137 696 N HA -0.154 4.579 4.740 -0.013 0.000 0.190 696 N C 1.588 176.963 175.510 -0.225 0.000 1.017 696 N CA 1.610 54.594 53.050 -0.110 0.000 0.859 696 N CB -0.553 37.916 38.487 -0.030 0.000 1.002 696 N HN 0.297 nan 8.380 nan 0.000 0.428 697 V N 1.186 121.012 119.914 -0.146 0.000 2.295 697 V HA -0.205 3.908 4.120 -0.013 0.000 0.246 697 V C 1.928 177.943 176.094 -0.133 0.000 1.049 697 V CA 1.659 63.871 62.300 -0.147 0.000 1.024 697 V CB -0.504 31.272 31.823 -0.079 0.000 0.648 697 V HN 0.346 nan 8.190 nan 0.000 0.447 698 E N -0.585 119.596 120.200 -0.032 0.000 2.208 698 E HA -0.142 4.200 4.350 -0.013 0.000 0.193 698 E C 2.175 178.892 176.600 0.195 0.000 0.988 698 E CA 1.061 57.520 56.400 0.099 0.000 0.828 698 E CB -0.164 29.679 29.700 0.239 0.000 0.763 698 E HN 0.560 nan 8.360 nan 0.000 0.478 699 M N 0.185 119.784 119.600 -0.002 0.000 2.123 699 M HA -0.071 4.401 4.480 -0.013 0.000 0.263 699 M C 2.466 178.549 176.300 -0.363 0.000 1.069 699 M CA 1.346 56.600 55.300 -0.076 0.000 1.133 699 M CB -0.077 32.366 32.600 -0.262 0.000 1.356 699 M HN 0.125 nan 8.290 nan 0.000 0.415 700 A N 0.021 122.303 122.820 -0.896 0.000 1.930 700 A HA -0.209 4.104 4.320 -0.013 0.000 0.217 700 A C 1.985 179.364 177.584 -0.342 0.000 1.175 700 A CA 1.912 53.358 52.037 -0.985 0.000 0.627 700 A CB -0.787 17.659 19.000 -0.923 0.000 0.815 700 A HN 0.582 nan 8.150 nan 0.000 0.443 701 E N -0.399 119.670 120.200 -0.220 0.000 2.110 701 E HA -0.208 4.134 4.350 -0.013 0.000 0.193 701 E C 1.718 178.288 176.600 -0.050 0.000 0.988 701 E CA 1.237 57.575 56.400 -0.102 0.000 0.804 701 E CB -0.061 29.599 29.700 -0.067 0.000 0.745 701 E HN 0.563 nan 8.360 nan 0.000 0.458 702 E N -0.082 120.115 120.200 -0.005 0.000 2.112 702 E HA -0.084 4.258 4.350 -0.013 0.000 0.190 702 E C 1.766 178.391 176.600 0.041 0.000 0.979 702 E CA 1.022 57.441 56.400 0.032 0.000 0.814 702 E CB 0.028 29.789 29.700 0.103 0.000 0.762 702 E HN 0.352 nan 8.360 nan 0.000 0.460 703 A N 0.384 123.238 122.820 0.056 0.000 2.147 703 A HA 0.374 4.686 4.320 -0.013 0.000 0.211 703 A C 0.998 178.605 177.584 0.039 0.000 1.160 703 A CA 0.973 53.059 52.037 0.083 0.000 0.781 703 A CB 0.181 19.295 19.000 0.191 0.000 0.842 703 A HN 0.220 nan 8.150 nan 0.000 0.475 704 G N -0.437 108.359 108.800 -0.006 0.000 3.225 704 G HA2 -0.088 3.864 3.960 -0.013 0.000 0.686 704 G HA3 -0.088 3.864 3.960 -0.013 0.000 0.686 704 G C -0.065 174.823 174.900 -0.021 0.000 1.105 704 G CA -0.017 45.070 45.100 -0.021 0.000 0.831 704 G HN 0.236 nan 8.290 nan 0.000 0.578 705 E N 0.776 120.948 120.200 -0.046 0.000 2.267 705 E HA -0.148 4.194 4.350 -0.013 0.000 0.197 705 E C 2.009 178.594 176.600 -0.025 0.000 0.998 705 E CA 1.693 58.072 56.400 -0.034 0.000 0.830 705 E CB 0.097 29.770 29.700 -0.044 0.000 0.751 705 E HN 0.783 nan 8.360 nan 0.000 0.491 706 E N 0.461 120.634 120.200 -0.045 0.000 2.274 706 E HA -0.066 4.277 4.350 -0.013 0.000 0.194 706 E C 0.948 177.457 176.600 -0.151 0.000 0.996 706 E CA 0.604 56.953 56.400 -0.083 0.000 0.840 706 E CB 0.080 29.744 29.700 -0.059 0.000 0.772 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.290 118.351 118.700 -0.099 0.000 2.251 707 N HA 0.138 4.871 4.740 -0.013 0.000 0.217 707 N C -0.913 174.500 175.510 -0.163 0.000 1.124 707 N CA 0.098 53.058 53.050 -0.151 0.000 0.843 707 N CB 0.447 38.904 38.487 -0.050 0.000 1.024 707 N HN 0.041 nan 8.380 nan 0.000 0.501 708 F N -0.355 119.374 119.950 -0.367 0.000 2.577 708 F HA 0.423 4.941 4.527 -0.014 0.000 0.318 708 F C -0.734 174.823 175.800 -0.405 0.000 1.065 708 F CA -1.100 56.721 58.000 -0.298 0.000 0.929 708 F CB 1.375 40.297 39.000 -0.132 0.000 1.237 708 F HN -0.221 nan 8.300 nan 0.000 0.468 709 F N 4.836 124.798 119.950 0.019 0.000 2.318 709 F HA 0.427 4.947 4.527 -0.012 0.000 0.356 709 F C -0.425 175.510 175.800 0.224 0.000 1.109 709 F CA -0.503 57.546 58.000 0.082 0.000 1.234 709 F CB 0.001 38.998 39.000 -0.005 0.000 1.545 709 F HN 0.038 nan 8.300 nan 0.000 0.534 710 I N 3.550 124.321 120.570 0.336 0.000 2.440 710 I HA 0.404 4.566 4.170 -0.013 0.000 0.294 710 I C -0.125 176.167 176.117 0.292 0.000 0.995 710 I CA -0.418 61.038 61.300 0.260 0.000 1.306 710 I CB 0.602 38.677 38.000 0.126 0.000 1.407 710 I HN 0.352 nan 8.210 nan 0.000 0.501 711 F N 3.075 123.093 119.950 0.114 0.000 2.745 711 F HA 0.914 5.433 4.527 -0.013 0.000 0.316 711 F C 0.082 175.926 175.800 0.072 0.000 1.155 711 F CA -0.605 57.452 58.000 0.096 0.000 0.937 711 F CB 0.775 39.846 39.000 0.119 0.000 1.361 711 F HN 0.865 nan 8.300 nan 0.000 0.472 712 G N 1.008 109.895 108.800 0.145 0.000 2.828 712 G HA2 -0.133 3.819 3.960 -0.013 0.000 0.463 712 G HA3 -0.133 3.819 3.960 -0.013 0.000 0.463 712 G C -0.752 174.126 174.900 -0.037 0.000 1.394 712 G CA -0.505 44.608 45.100 0.023 0.000 0.862 712 G HN 0.988 nan 8.290 nan 0.000 0.540 713 M N 0.657 120.247 119.600 -0.018 0.000 2.252 713 M HA 0.221 4.693 4.480 -0.013 0.000 0.329 713 M C 1.240 177.509 176.300 -0.051 0.000 1.101 713 M CA 0.177 55.470 55.300 -0.012 0.000 1.117 713 M CB 0.334 32.934 32.600 0.000 0.000 1.563 713 M HN 0.573 nan 8.290 nan 0.000 0.445 714 R N 1.541 122.023 120.500 -0.030 0.000 2.606 714 R HA 0.334 4.667 4.340 -0.013 0.000 0.249 714 R C 1.132 177.414 176.300 -0.030 0.000 1.127 714 R CA -0.672 55.404 56.100 -0.041 0.000 1.133 714 R CB -0.152 30.131 30.300 -0.029 0.000 1.243 714 R HN 0.561 nan 8.270 nan 0.000 0.558 715 V N 1.422 121.317 119.914 -0.031 0.000 2.332 715 V HA -0.255 3.857 4.120 -0.013 0.000 0.248 715 V C 1.897 177.981 176.094 -0.017 0.000 1.055 715 V CA 1.976 64.261 62.300 -0.025 0.000 1.038 715 V CB -0.452 31.354 31.823 -0.027 0.000 0.651 715 V HN 0.596 nan 8.190 nan 0.000 0.450 716 E N 0.370 120.562 120.200 -0.013 0.000 2.070 716 E HA -0.218 4.125 4.350 -0.013 0.000 0.197 716 E C 2.000 178.604 176.600 0.006 0.000 1.004 716 E CA 1.692 58.089 56.400 -0.005 0.000 0.805 716 E CB -0.442 29.256 29.700 -0.003 0.000 0.744 716 E HN 0.637 nan 8.360 nan 0.000 0.451 717 D N -0.137 120.269 120.400 0.010 0.000 2.144 717 D HA -0.119 4.513 4.640 -0.013 0.000 0.199 717 D C 1.993 178.309 176.300 0.028 0.000 0.984 717 D CA 1.067 55.083 54.000 0.027 0.000 0.834 717 D CB -0.034 40.786 40.800 0.034 0.000 0.955 717 D HN 0.074 nan 8.370 nan 0.000 0.465 718 V N 1.906 121.824 119.914 0.006 0.000 2.295 718 V HA -0.207 3.905 4.120 -0.013 0.000 0.246 718 V C 2.023 178.117 176.094 -0.000 0.000 1.049 718 V CA 1.688 63.984 62.300 -0.007 0.000 1.024 718 V CB -0.397 31.411 31.823 -0.025 0.000 0.648 718 V HN 0.033 nan 8.190 nan 0.000 0.447 719 D N -0.340 120.060 120.400 0.000 0.000 2.144 719 D HA -0.142 4.490 4.640 -0.013 0.000 0.199 719 D C 2.362 178.673 176.300 0.019 0.000 0.984 719 D CA 1.111 55.112 54.000 0.003 0.000 0.834 719 D CB -0.216 40.582 40.800 -0.004 0.000 0.955 719 D HN 0.306 nan 8.370 nan 0.000 0.465 720 R N 0.224 120.741 120.500 0.027 0.000 2.083 720 R HA -0.043 4.289 4.340 -0.013 0.000 0.237 720 R C 2.484 178.818 176.300 0.058 0.000 1.137 720 R CA 0.650 56.774 56.100 0.039 0.000 0.951 720 R CB -0.406 29.920 30.300 0.043 0.000 0.851 720 R HN 0.169 nan 8.270 nan 0.000 0.434 721 L N 0.531 121.799 121.223 0.074 0.000 2.131 721 L HA -0.224 4.108 4.340 -0.013 0.000 0.210 721 L C 1.381 178.317 176.870 0.110 0.000 1.092 721 L CA 1.378 56.288 54.840 0.117 0.000 0.759 721 L CB -0.258 41.887 42.059 0.142 0.000 0.903 721 L HN 0.294 nan 8.230 nan 0.000 0.435 722 D N -1.024 119.415 120.400 0.064 0.000 2.149 722 D HA -0.144 4.489 4.640 -0.013 0.000 0.201 722 D C 2.284 178.614 176.300 0.050 0.000 0.972 722 D CA 0.681 54.713 54.000 0.052 0.000 0.835 722 D CB 0.084 40.893 40.800 0.015 0.000 0.966 722 D HN 0.348 nan 8.370 nan 0.000 0.476 723 Q N 0.656 120.482 119.800 0.042 0.000 2.002 723 Q HA -0.123 4.209 4.340 -0.013 0.000 0.204 723 Q C 2.272 178.299 176.000 0.045 0.000 0.988 723 Q CA 0.889 56.713 55.803 0.036 0.000 0.843 723 Q CB -0.487 28.269 28.738 0.030 0.000 0.908 723 Q HN 0.292 nan 8.270 nan 0.000 0.420 724 R N 0.269 120.803 120.500 0.057 0.000 2.096 724 R HA -0.090 4.243 4.340 -0.013 0.000 0.240 724 R C 0.263 176.605 176.300 0.070 0.000 1.139 724 R CA 1.331 57.468 56.100 0.062 0.000 0.952 724 R CB -0.221 30.125 30.300 0.077 0.000 0.854 724 R HN 0.436 nan 8.270 nan 0.000 0.436 725 G N -0.698 108.160 108.800 0.097 0.000 3.226 725 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.685 725 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.685 725 G C -1.457 173.545 174.900 0.171 0.000 1.207 725 G CA -0.463 44.703 45.100 0.110 0.000 0.877 725 G HN 0.302 nan 8.290 nan 0.000 0.585 726 Y N 3.863 124.199 120.300 0.060 0.000 2.404 726 Y HA 0.596 5.138 4.550 -0.013 0.000 0.344 726 Y C 0.277 176.237 175.900 0.101 0.000 0.995 726 Y CA -0.989 57.167 58.100 0.093 0.000 1.201 726 Y CB 0.979 39.475 38.460 0.059 0.000 1.151 726 Y HN 0.572 nan 8.280 nan 0.000 0.517 727 N N 5.125 123.621 118.700 -0.340 0.000 2.524 727 N HA 0.286 5.018 4.740 -0.013 0.000 0.261 727 N C 0.044 175.302 175.510 -0.419 0.000 0.998 727 N CA 0.285 53.141 53.050 -0.322 0.000 0.915 727 N CB 1.681 40.099 38.487 -0.115 0.000 1.187 727 N HN 0.879 nan 8.380 nan 0.000 0.507 728 A N 3.153 125.655 122.820 -0.530 0.000 2.015 728 A HA -0.182 4.130 4.320 -0.013 0.000 0.219 728 A C 1.923 179.642 177.584 0.225 0.000 1.163 728 A CA 1.230 53.204 52.037 -0.105 0.000 0.646 728 A CB -0.276 18.622 19.000 -0.170 0.000 0.806 728 A HN 0.760 nan 8.150 nan 0.000 0.448 729 Q N 0.299 120.121 119.800 0.036 0.000 2.152 729 Q HA -0.232 4.100 4.340 -0.013 0.000 0.206 729 Q C 1.870 177.935 176.000 0.108 0.000 0.985 729 Q CA 2.249 58.088 55.803 0.060 0.000 0.863 729 Q CB -0.335 28.394 28.738 -0.015 0.000 0.904 729 Q HN 0.759 nan 8.270 nan 0.000 0.422 730 E N -1.255 118.948 120.200 0.005 0.000 2.049 730 E HA -0.253 4.089 4.350 -0.013 0.000 0.198 730 E C 1.694 178.215 176.600 -0.131 0.000 1.007 730 E CA 1.687 58.015 56.400 -0.120 0.000 0.809 730 E CB -0.249 29.271 29.700 -0.299 0.000 0.749 730 E HN 0.580 nan 8.360 nan 0.000 0.450 731 Y N -1.203 119.142 120.300 0.076 0.000 2.224 731 Y HA -0.236 4.306 4.550 -0.013 0.000 0.289 731 Y C 2.209 178.079 175.900 -0.051 0.000 1.146 731 Y CA 1.567 59.696 58.100 0.048 0.000 1.182 731 Y CB -0.548 37.990 38.460 0.129 0.000 0.983 731 Y HN 0.269 nan 8.280 nan 0.000 0.524 732 Y N 1.082 121.379 120.300 -0.005 0.000 2.224 732 Y HA -0.237 4.305 4.550 -0.013 0.000 0.289 732 Y C 1.883 177.734 175.900 -0.081 0.000 1.146 732 Y CA 1.665 59.690 58.100 -0.125 0.000 1.182 732 Y CB -0.336 38.100 38.460 -0.041 0.000 0.983 732 Y HN 0.060 nan 8.280 nan 0.000 0.524 733 D N -0.065 120.410 120.400 0.126 0.000 2.117 733 D HA -0.123 4.510 4.640 -0.013 0.000 0.198 733 D C 1.898 178.162 176.300 -0.060 0.000 0.982 733 D CA 1.335 55.355 54.000 0.034 0.000 0.828 733 D CB -0.124 40.711 40.800 0.059 0.000 0.967 733 D HN 0.478 nan 8.370 nan 0.000 0.464 734 R N 0.025 120.490 120.500 -0.058 0.000 2.297 734 R HA 0.208 4.541 4.340 -0.013 0.000 0.197 734 R C 0.366 176.637 176.300 -0.049 0.000 0.943 734 R CA 0.133 56.200 56.100 -0.054 0.000 1.038 734 R CB 0.618 30.886 30.300 -0.052 0.000 0.957 734 R HN 0.180 nan 8.270 nan 0.000 0.484 735 I N 2.228 122.747 120.570 -0.084 0.000 2.420 735 I HA 0.217 4.379 4.170 -0.013 0.000 0.282 735 I C -1.899 174.118 176.117 -0.167 0.000 1.019 735 I CA -2.445 58.812 61.300 -0.071 0.000 1.130 735 I CB 2.427 40.420 38.000 -0.013 0.000 1.262 735 I HN -0.262 nan 8.210 nan 0.000 0.454 736 P HA -0.132 nan 4.420 nan 0.000 0.217 736 P C 1.203 178.409 177.300 -0.157 0.000 1.150 736 P CA 1.250 64.254 63.100 -0.159 0.000 0.832 736 P CB 0.325 31.965 31.700 -0.101 0.000 0.787 737 E N -0.822 119.326 120.200 -0.086 0.000 2.077 737 E HA -0.175 4.167 4.350 -0.013 0.000 0.193 737 E C 1.862 178.381 176.600 -0.136 0.000 0.989 737 E CA 0.828 57.198 56.400 -0.050 0.000 0.800 737 E CB -0.622 29.120 29.700 0.069 0.000 0.746 737 E HN 0.100 nan 8.360 nan 0.000 0.452 738 L N 1.382 122.442 121.223 -0.271 0.000 2.056 738 L HA -0.146 4.186 4.340 -0.013 0.000 0.207 738 L C 2.356 178.963 176.870 -0.440 0.000 1.078 738 L CA 1.676 56.183 54.840 -0.554 0.000 0.749 738 L CB -0.442 41.149 42.059 -0.780 0.000 0.901 738 L HN -0.069 nan 8.230 nan 0.000 0.433 739 R N -0.795 119.415 120.500 -0.482 0.000 2.083 739 R HA -0.242 4.091 4.340 -0.013 0.000 0.237 739 R C 2.399 178.532 176.300 -0.278 0.000 1.137 739 R CA 1.982 57.704 56.100 -0.631 0.000 0.951 739 R CB -0.410 29.438 30.300 -0.754 0.000 0.851 739 R HN 0.620 nan 8.270 nan 0.000 0.434 740 Q N 0.392 120.067 119.800 -0.208 0.000 2.135 740 Q HA -0.193 4.140 4.340 -0.013 0.000 0.204 740 Q C 2.008 177.963 176.000 -0.075 0.000 0.981 740 Q CA 1.886 57.614 55.803 -0.125 0.000 0.856 740 Q CB -0.085 28.581 28.738 -0.119 0.000 0.902 740 Q HN 0.499 nan 8.270 nan 0.000 0.425 741 I N -0.073 120.456 120.570 -0.067 0.000 2.233 741 I HA -0.254 3.909 4.170 -0.013 0.000 0.243 741 I C 2.079 178.238 176.117 0.070 0.000 1.093 741 I CA 0.667 61.975 61.300 0.013 0.000 1.380 741 I CB -0.119 37.869 38.000 -0.020 0.000 1.067 741 I HN 0.205 nan 8.210 nan 0.000 0.413 742 I N 0.737 121.343 120.570 0.059 0.000 2.361 742 I HA -0.263 3.899 4.170 -0.013 0.000 0.251 742 I C 2.304 178.528 176.117 0.177 0.000 1.133 742 I CA 1.592 62.990 61.300 0.163 0.000 1.413 742 I CB -0.299 37.877 38.000 0.292 0.000 1.073 742 I HN 0.194 nan 8.210 nan 0.000 0.424 743 E N -0.468 119.818 120.200 0.142 0.000 2.358 743 E HA -0.181 4.161 4.350 -0.013 0.000 0.195 743 E C 2.029 178.694 176.600 0.109 0.000 1.010 743 E CA 0.413 56.889 56.400 0.127 0.000 0.856 743 E CB -0.016 29.738 29.700 0.091 0.000 0.795 743 E HN 0.578 nan 8.360 nan 0.000 0.504 744 Q N 0.456 120.316 119.800 0.100 0.000 2.096 744 Q HA -0.037 4.295 4.340 -0.013 0.000 0.197 744 Q C 2.226 178.404 176.000 0.297 0.000 0.964 744 Q CA 0.731 56.602 55.803 0.115 0.000 0.838 744 Q CB 0.186 28.942 28.738 0.029 0.000 0.906 744 Q HN 0.269 nan 8.270 nan 0.000 0.444 745 L N -0.408 121.006 121.223 0.318 0.000 2.056 745 L HA -0.158 4.175 4.340 -0.013 0.000 0.207 745 L C 2.385 179.438 176.870 0.304 0.000 1.078 745 L CA 0.863 55.910 54.840 0.345 0.000 0.749 745 L CB -0.315 41.869 42.059 0.207 0.000 0.901 745 L HN 0.133 nan 8.230 nan 0.000 0.433 746 S N -0.411 115.424 115.700 0.225 0.000 2.402 746 S HA -0.126 4.337 4.470 -0.013 0.000 0.229 746 S C 1.995 176.694 174.600 0.165 0.000 1.021 746 S CA 1.484 59.794 58.200 0.184 0.000 0.974 746 S CB -0.096 63.193 63.200 0.147 0.000 0.800 746 S HN 0.596 nan 8.310 nan 0.000 0.484 747 S N -0.215 115.585 115.700 0.167 0.000 2.575 747 S HA 0.408 4.870 4.470 -0.013 0.000 0.215 747 S C 1.292 175.981 174.600 0.148 0.000 0.966 747 S CA 0.581 58.864 58.200 0.138 0.000 0.911 747 S CB 0.358 63.628 63.200 0.116 0.000 0.780 747 S HN 0.691 nan 8.310 nan 0.000 0.514 748 G N 0.986 109.905 108.800 0.198 0.000 2.131 748 G HA2 -0.302 3.650 3.960 -0.013 0.000 0.223 748 G HA3 -0.302 3.650 3.960 -0.013 0.000 0.223 748 G C 0.212 175.196 174.900 0.139 0.000 0.990 748 G CA 0.104 45.309 45.100 0.175 0.000 0.671 748 G HN 0.564 nan 8.290 nan 0.000 0.521 749 F N 0.226 120.173 119.950 -0.005 0.000 2.202 749 F HA 0.180 4.699 4.527 -0.013 0.000 0.301 749 F C 1.847 177.454 175.800 -0.322 0.000 1.082 749 F CA 1.973 59.851 58.000 -0.203 0.000 1.313 749 F CB -0.042 38.750 39.000 -0.345 0.000 1.024 749 F HN 0.157 nan 8.300 nan 0.000 0.495 750 F N -0.178 119.825 119.950 0.089 0.000 2.695 750 F HA 0.205 4.725 4.527 -0.013 0.000 0.303 750 F C 0.677 176.541 175.800 0.107 0.000 1.091 750 F CA 0.243 58.250 58.000 0.013 0.000 1.300 750 F CB -0.044 39.004 39.000 0.080 0.000 1.071 750 F HN -0.015 nan 8.300 nan 0.000 0.578 751 S N -1.700 114.137 115.700 0.228 0.000 2.564 751 S HA 0.328 4.790 4.470 -0.013 0.000 0.141 751 S C -2.477 172.150 174.600 0.044 0.000 1.474 751 S CA -1.071 57.207 58.200 0.130 0.000 1.236 751 S CB 1.016 64.272 63.200 0.094 0.000 1.481 751 S HN -0.194 nan 8.310 nan 0.000 0.397 752 P HA -0.136 nan 4.420 nan 0.000 0.213 752 P C 1.259 178.557 177.300 -0.004 0.000 1.170 752 P CA 1.482 64.571 63.100 -0.018 0.000 0.902 752 P CB 0.080 31.749 31.700 -0.051 0.000 0.789 753 K N -0.859 119.537 120.400 -0.006 0.000 2.147 753 K HA -0.108 4.204 4.320 -0.013 0.000 0.205 753 K C 0.675 177.276 176.600 0.002 0.000 1.049 753 K CA 1.095 57.380 56.287 -0.002 0.000 0.936 753 K CB -0.274 32.226 32.500 -0.000 0.000 0.722 753 K HN 0.348 nan 8.250 nan 0.000 0.446 754 Q N -0.200 119.598 119.800 -0.003 0.000 2.798 754 Q HA 0.156 4.488 4.340 -0.013 0.000 0.250 754 Q C -2.324 173.671 176.000 -0.009 0.000 1.006 754 Q CA -1.633 54.164 55.803 -0.010 0.000 0.759 754 Q CB 1.602 30.325 28.738 -0.024 0.000 1.201 754 Q HN -0.074 nan 8.270 nan 0.000 0.486 755 P HA -0.219 nan 4.420 nan 0.000 0.219 755 P C 0.564 177.903 177.300 0.065 0.000 1.146 755 P CA 1.356 64.487 63.100 0.052 0.000 0.808 755 P CB 0.234 31.965 31.700 0.052 0.000 0.779 756 D N -1.076 119.346 120.400 0.036 0.000 2.368 756 D HA -0.010 4.623 4.640 -0.013 0.000 0.218 756 D C 1.607 177.914 176.300 0.011 0.000 1.112 756 D CA -0.234 53.795 54.000 0.049 0.000 0.834 756 D CB -0.443 40.385 40.800 0.047 0.000 0.953 756 D HN 0.015 nan 8.370 nan 0.000 0.505 757 L N 0.170 121.341 121.223 -0.087 0.000 2.043 757 L HA -0.086 4.247 4.340 -0.013 0.000 0.212 757 L C 1.028 177.706 176.870 -0.321 0.000 1.075 757 L CA 1.705 56.382 54.840 -0.272 0.000 0.752 757 L CB -0.699 41.027 42.059 -0.556 0.000 0.891 757 L HN -0.015 nan 8.230 nan 0.000 0.432 758 F N -0.505 119.503 119.950 0.097 0.000 2.819 758 F HA 0.158 4.678 4.527 -0.012 0.000 0.294 758 F C 1.731 177.587 175.800 0.093 0.000 1.166 758 F CA -0.221 57.828 58.000 0.082 0.000 1.374 758 F CB -0.292 38.745 39.000 0.062 0.000 0.956 758 F HN 0.117 nan 8.300 nan 0.000 0.509 759 K N -0.838 119.688 120.400 0.209 0.000 2.148 759 K HA -0.128 4.185 4.320 -0.013 0.000 0.204 759 K C 0.942 177.651 176.600 0.183 0.000 1.050 759 K CA 1.634 58.026 56.287 0.176 0.000 0.942 759 K CB -0.136 32.443 32.500 0.130 0.000 0.724 759 K HN 0.048 nan 8.250 nan 0.000 0.446 760 D N 1.250 121.772 120.400 0.203 0.000 2.144 760 D HA -0.054 4.578 4.640 -0.013 0.000 0.200 760 D C 1.966 178.386 176.300 0.199 0.000 0.978 760 D CA 0.985 55.116 54.000 0.219 0.000 0.833 760 D CB -0.071 40.895 40.800 0.277 0.000 0.961 760 D HN 0.277 nan 8.370 nan 0.000 0.470 761 I N 0.329 121.014 120.570 0.191 0.000 2.163 761 I HA -0.214 3.948 4.170 -0.013 0.000 0.240 761 I C 2.434 178.610 176.117 0.098 0.000 1.081 761 I CA 0.577 61.957 61.300 0.132 0.000 1.353 761 I CB -0.183 37.885 38.000 0.113 0.000 1.054 761 I HN -0.131 nan 8.210 nan 0.000 0.407 762 V N 0.957 120.945 119.914 0.122 0.000 2.287 762 V HA -0.344 3.768 4.120 -0.013 0.000 0.248 762 V C 2.169 178.282 176.094 0.031 0.000 1.053 762 V CA 2.580 64.934 62.300 0.091 0.000 1.027 762 V CB -1.041 30.857 31.823 0.124 0.000 0.646 762 V HN 0.503 nan 8.190 nan 0.000 0.447 763 N N -0.498 118.253 118.700 0.086 0.000 2.061 763 N HA -0.255 4.477 4.740 -0.013 0.000 0.193 763 N C 1.977 177.472 175.510 -0.024 0.000 1.030 763 N CA 1.902 55.016 53.050 0.105 0.000 0.856 763 N CB -0.168 38.443 38.487 0.206 0.000 1.023 763 N HN 0.405 nan 8.380 nan 0.000 0.424 764 M N 0.092 119.732 119.600 0.066 0.000 2.099 764 M HA -0.131 4.341 4.480 -0.013 0.000 0.262 764 M C 1.596 177.831 176.300 -0.109 0.000 1.067 764 M CA 1.327 56.678 55.300 0.085 0.000 1.124 764 M CB -0.462 32.260 32.600 0.203 0.000 1.353 764 M HN 0.235 nan 8.290 nan 0.000 0.410 765 L N 0.965 122.105 121.223 -0.139 0.000 2.079 765 L HA -0.214 4.118 4.340 -0.013 0.000 0.210 765 L C 2.418 178.986 176.870 -0.502 0.000 1.081 765 L CA 1.711 56.348 54.840 -0.338 0.000 0.752 765 L CB -1.006 40.882 42.059 -0.285 0.000 0.896 765 L HN 0.401 nan 8.230 nan 0.000 0.433 766 M N -2.299 117.045 119.600 -0.426 0.000 2.435 766 M HA -0.024 4.449 4.480 -0.013 0.000 0.265 766 M C 1.676 177.508 176.300 -0.781 0.000 1.104 766 M CA 1.138 56.087 55.300 -0.585 0.000 1.140 766 M CB -0.590 31.577 32.600 -0.723 0.000 1.372 766 M HN 0.331 nan 8.290 nan 0.000 0.456 767 H N -1.724 117.132 119.070 -0.358 0.000 3.091 767 H HA 0.212 4.761 4.556 -0.013 0.000 0.249 767 H C 0.091 175.169 175.328 -0.416 0.000 0.985 767 H CA 0.582 56.367 56.048 -0.438 0.000 1.177 767 H CB 0.322 29.761 29.762 -0.538 0.000 1.456 767 H HN 0.540 nan 8.280 nan 0.000 0.467 768 H N -0.257 118.877 119.070 0.106 0.000 2.716 768 H HA 0.211 4.759 4.556 -0.013 0.000 0.230 768 H C -0.858 174.493 175.328 0.039 0.000 1.401 768 H CA -0.491 55.604 56.048 0.078 0.000 1.168 768 H CB 0.501 30.312 29.762 0.082 0.000 1.935 768 H HN -0.072 nan 8.280 nan 0.000 0.538 769 D N 1.447 121.892 120.400 0.075 0.000 2.393 769 D HA 0.103 4.735 4.640 -0.013 0.000 0.232 769 D C 0.919 177.157 176.300 -0.103 0.000 1.192 769 D CA -0.237 53.773 54.000 0.016 0.000 0.882 769 D CB 0.612 41.400 40.800 -0.021 0.000 1.038 769 D HN 0.402 nan 8.370 nan 0.000 0.499 770 R N 2.287 122.635 120.500 -0.254 0.000 2.235 770 R HA -0.024 4.309 4.340 -0.013 0.000 0.213 770 R C 0.467 176.194 176.300 -0.955 0.000 1.059 770 R CA 0.759 56.476 56.100 -0.639 0.000 0.997 770 R CB 0.188 29.930 30.300 -0.931 0.000 0.884 770 R HN 0.388 nan 8.270 nan 0.000 0.462 771 F N 1.450 121.354 119.950 -0.077 0.000 2.791 771 F HA 0.205 4.724 4.527 -0.013 0.000 0.308 771 F C -0.024 175.649 175.800 -0.212 0.000 1.138 771 F CA -0.927 57.011 58.000 -0.103 0.000 1.294 771 F CB 0.161 39.158 39.000 -0.006 0.000 0.975 771 F HN -0.189 nan 8.300 nan 0.000 0.512 772 K N -0.751 119.427 120.400 -0.370 0.000 4.226 772 K HA -0.210 4.103 4.320 -0.013 0.000 0.274 772 K C 0.755 177.228 176.600 -0.212 0.000 0.782 772 K CA 0.246 56.148 56.287 -0.643 0.000 0.692 772 K CB -1.814 30.078 32.500 -1.014 0.000 1.843 772 K HN 0.309 nan 8.250 nan 0.000 0.420 773 V N 0.849 120.713 119.914 -0.082 0.000 2.295 773 V HA -0.257 3.856 4.120 -0.013 0.000 0.246 773 V C 2.233 178.448 176.094 0.202 0.000 1.049 773 V CA 2.145 64.471 62.300 0.044 0.000 1.024 773 V CB -0.623 31.221 31.823 0.035 0.000 0.648 773 V HN 0.619 nan 8.190 nan 0.000 0.447 774 F N 0.373 120.325 119.950 0.004 0.000 2.161 774 F HA -0.239 4.280 4.527 -0.013 0.000 0.300 774 F C 2.574 178.180 175.800 -0.322 0.000 1.089 774 F CA 0.760 58.706 58.000 -0.090 0.000 1.282 774 F CB -0.456 38.495 39.000 -0.082 0.000 1.010 774 F HN 0.205 nan 8.300 nan 0.000 0.485 775 A N -0.427 122.233 122.820 -0.267 0.000 2.032 775 A HA -0.230 4.082 4.320 -0.013 0.000 0.221 775 A C 1.427 179.015 177.584 0.006 0.000 1.165 775 A CA 2.120 53.938 52.037 -0.364 0.000 0.645 775 A CB -0.517 18.402 19.000 -0.135 0.000 0.807 775 A HN 0.261 nan 8.150 nan 0.000 0.453 776 D N -3.032 117.430 120.400 0.103 0.000 2.369 776 D HA 0.123 4.755 4.640 -0.013 0.000 0.211 776 D C 1.086 177.554 176.300 0.280 0.000 1.077 776 D CA -0.113 54.020 54.000 0.221 0.000 0.842 776 D CB -0.116 40.825 40.800 0.235 0.000 0.947 776 D HN 0.597 nan 8.370 nan 0.000 0.509 777 Y N 1.991 122.374 120.300 0.139 0.000 2.089 777 Y HA -0.207 4.336 4.550 -0.012 0.000 0.282 777 Y C 2.105 178.092 175.900 0.145 0.000 1.139 777 Y CA 1.842 60.035 58.100 0.154 0.000 1.123 777 Y CB 0.199 38.725 38.460 0.110 0.000 0.980 777 Y HN -0.122 nan 8.280 nan 0.000 0.493 778 E N 0.072 120.346 120.200 0.125 0.000 2.049 778 E HA -0.298 4.044 4.350 -0.013 0.000 0.198 778 E C 2.177 178.748 176.600 -0.048 0.000 1.007 778 E CA 1.783 58.181 56.400 -0.003 0.000 0.809 778 E CB -0.269 29.529 29.700 0.163 0.000 0.749 778 E HN 0.621 nan 8.360 nan 0.000 0.450 779 E N -0.490 119.757 120.200 0.079 0.000 2.268 779 E HA -0.184 4.158 4.350 -0.013 0.000 0.195 779 E C 1.786 178.383 176.600 -0.006 0.000 0.995 779 E CA 0.463 56.929 56.400 0.110 0.000 0.836 779 E CB 0.004 29.856 29.700 0.254 0.000 0.763 779 E HN 0.246 nan 8.360 nan 0.000 0.491 780 Y N 0.513 120.610 120.300 -0.338 0.000 2.153 780 Y HA -0.176 4.367 4.550 -0.013 0.000 0.289 780 Y C 2.178 177.681 175.900 -0.662 0.000 1.127 780 Y CA 1.485 59.068 58.100 -0.861 0.000 1.131 780 Y CB -0.628 37.390 38.460 -0.737 0.000 0.995 780 Y HN -0.034 nan 8.280 nan 0.000 0.505 781 V N -0.353 119.191 119.914 -0.617 0.000 2.515 781 V HA -0.156 3.956 4.120 -0.013 0.000 0.250 781 V C 2.182 178.046 176.094 -0.382 0.000 1.058 781 V CA 2.228 64.188 62.300 -0.567 0.000 1.064 781 V CB -0.628 30.943 31.823 -0.420 0.000 0.675 781 V HN 0.227 nan 8.190 nan 0.000 0.461 782 K N 0.011 120.246 120.400 -0.275 0.000 2.026 782 K HA -0.112 4.200 4.320 -0.013 0.000 0.208 782 K C 2.291 178.797 176.600 -0.157 0.000 1.048 782 K CA 2.032 58.227 56.287 -0.154 0.000 0.929 782 K CB -1.311 31.146 32.500 -0.071 0.000 0.713 782 K HN 0.665 nan 8.250 nan 0.000 0.439 783 C N 0.879 120.061 119.300 -0.197 0.000 2.422 783 C HA -0.074 4.379 4.460 -0.013 0.000 0.279 783 C C 2.413 177.227 174.990 -0.293 0.000 1.305 783 C CA 0.684 59.615 59.018 -0.145 0.000 1.757 783 C CB -0.710 26.972 27.740 -0.097 0.000 1.962 783 C HN 0.452 nan 8.230 nan 0.000 0.499 784 Q N 0.335 119.824 119.800 -0.519 0.000 2.167 784 Q HA -0.163 4.170 4.340 -0.013 0.000 0.202 784 Q C 1.961 177.765 176.000 -0.326 0.000 0.970 784 Q CA 1.528 56.982 55.803 -0.581 0.000 0.855 784 Q CB -0.328 27.838 28.738 -0.953 0.000 0.911 784 Q HN 0.756 nan 8.270 nan 0.000 0.438 785 E N 0.141 120.208 120.200 -0.222 0.000 2.106 785 E HA -0.119 4.224 4.350 -0.013 0.000 0.192 785 E C 2.062 178.621 176.600 -0.069 0.000 0.984 785 E CA 0.528 56.858 56.400 -0.117 0.000 0.806 785 E CB 0.078 29.728 29.700 -0.083 0.000 0.750 785 E HN 0.230 nan 8.360 nan 0.000 0.458 786 R N 0.378 120.845 120.500 -0.055 0.000 2.092 786 R HA -0.104 4.228 4.340 -0.013 0.000 0.231 786 R C 2.664 178.993 176.300 0.048 0.000 1.119 786 R CA 1.446 57.582 56.100 0.061 0.000 0.970 786 R CB -0.514 29.892 30.300 0.175 0.000 0.864 786 R HN 0.227 nan 8.270 nan 0.000 0.440 787 V N -1.508 118.244 119.914 -0.271 0.000 2.548 787 V HA -0.101 4.011 4.120 -0.013 0.000 0.249 787 V C 1.984 178.097 176.094 0.032 0.000 1.055 787 V CA 1.789 63.862 62.300 -0.377 0.000 1.065 787 V CB -0.055 31.273 31.823 -0.826 0.000 0.681 787 V HN 0.069 nan 8.190 nan 0.000 0.462 788 S N 0.846 116.507 115.700 -0.066 0.000 2.368 788 S HA -0.031 4.432 4.470 -0.013 0.000 0.225 788 S C 2.285 176.933 174.600 0.080 0.000 1.030 788 S CA 1.664 59.846 58.200 -0.031 0.000 0.999 788 S CB -0.644 62.511 63.200 -0.075 0.000 0.844 788 S HN 0.965 nan 8.310 nan 0.000 0.459 789 A N 1.460 124.335 122.820 0.092 0.000 1.865 789 A HA -0.052 4.260 4.320 -0.013 0.000 0.217 789 A C 2.086 179.784 177.584 0.190 0.000 1.191 789 A CA 1.241 53.354 52.037 0.126 0.000 0.623 789 A CB -0.827 18.241 19.000 0.114 0.000 0.826 789 A HN 0.474 nan 8.150 nan 0.000 0.444 790 L N -1.930 119.471 121.223 0.297 0.000 2.201 790 L HA -0.140 4.192 4.340 -0.013 0.000 0.212 790 L C 2.368 179.542 176.870 0.507 0.000 1.105 790 L CA 1.648 56.749 54.840 0.434 0.000 0.775 790 L CB -0.400 42.022 42.059 0.605 0.000 0.913 790 L HN 0.627 nan 8.230 nan 0.000 0.440 791 Y N 0.734 121.125 120.300 0.151 0.000 2.439 791 Y HA -0.210 4.333 4.550 -0.011 0.000 0.292 791 Y C 2.389 178.195 175.900 -0.156 0.000 1.130 791 Y CA 1.379 59.269 58.100 -0.350 0.000 1.254 791 Y CB 0.005 38.030 38.460 -0.726 0.000 1.000 791 Y HN 0.033 nan 8.280 nan 0.000 0.554 792 K N 0.040 120.456 120.400 0.027 0.000 2.439 792 K HA -0.100 4.212 4.320 -0.013 0.000 0.197 792 K C 0.318 176.899 176.600 -0.033 0.000 1.041 792 K CA 0.568 56.863 56.287 0.012 0.000 0.970 792 K CB -0.038 32.520 32.500 0.096 0.000 0.773 792 K HN 0.036 nan 8.250 nan 0.000 0.479 793 N N 0.408 119.107 118.700 -0.001 0.000 2.976 793 N HA 0.140 4.873 4.740 -0.013 0.000 0.255 793 N C -2.439 173.078 175.510 0.013 0.000 1.312 793 N CA -2.230 50.830 53.050 0.018 0.000 0.897 793 N CB 1.065 39.598 38.487 0.077 0.000 1.184 793 N HN -0.181 nan 8.380 nan 0.000 0.497 794 P HA -0.230 nan 4.420 nan 0.000 0.219 794 P C 1.391 178.708 177.300 0.027 0.000 1.158 794 P CA 1.343 64.379 63.100 -0.106 0.000 0.895 794 P CB 0.348 31.958 31.700 -0.150 0.000 0.792 795 R N -0.361 120.155 120.500 0.025 0.000 2.081 795 R HA -0.155 4.177 4.340 -0.013 0.000 0.235 795 R C 1.980 178.324 176.300 0.074 0.000 1.131 795 R CA 1.371 57.497 56.100 0.043 0.000 0.960 795 R CB -0.285 30.032 30.300 0.027 0.000 0.856 795 R HN 0.113 nan 8.270 nan 0.000 0.436 796 E N -0.303 119.953 120.200 0.093 0.000 2.158 796 E HA -0.194 4.148 4.350 -0.013 0.000 0.191 796 E C 1.543 178.223 176.600 0.133 0.000 0.982 796 E CA 0.516 56.974 56.400 0.097 0.000 0.823 796 E CB -0.369 29.388 29.700 0.094 0.000 0.766 796 E HN 0.496 nan 8.360 nan 0.000 0.468 797 W N 2.107 123.412 121.300 0.008 0.000 2.355 797 W HA -0.168 4.484 4.660 -0.014 0.000 0.309 797 W C 1.558 178.093 176.519 0.026 0.000 1.206 797 W CA 2.028 59.395 57.345 0.036 0.000 1.284 797 W CB -0.332 29.125 29.460 -0.006 0.000 1.145 797 W HN 0.029 nan 8.180 nan 0.000 0.502 798 T N 1.038 115.734 114.554 0.237 0.000 2.833 798 T HA -0.165 4.178 4.350 -0.013 0.000 0.269 798 T C 1.834 176.556 174.700 0.037 0.000 1.054 798 T CA 1.477 63.651 62.100 0.123 0.000 1.135 798 T CB -0.270 68.650 68.868 0.088 0.000 0.869 798 T HN 0.172 nan 8.240 nan 0.000 0.466 799 R N 0.246 120.769 120.500 0.038 0.000 2.115 799 R HA 0.175 4.508 4.340 -0.013 0.000 0.226 799 R C 2.459 178.752 176.300 -0.011 0.000 1.100 799 R CA 0.927 57.045 56.100 0.031 0.000 0.980 799 R CB -0.262 30.061 30.300 0.038 0.000 0.875 799 R HN 0.360 nan 8.270 nan 0.000 0.445 800 M N 0.387 119.942 119.600 -0.074 0.000 2.254 800 M HA -0.111 4.361 4.480 -0.013 0.000 0.265 800 M C 1.854 178.065 176.300 -0.147 0.000 1.066 800 M CA 1.193 56.409 55.300 -0.140 0.000 1.123 800 M CB 0.267 32.716 32.600 -0.251 0.000 1.388 800 M HN -0.029 nan 8.290 nan 0.000 0.425 801 V N 0.865 120.684 119.914 -0.158 0.000 2.261 801 V HA -0.303 3.809 4.120 -0.013 0.000 0.246 801 V C 2.157 178.241 176.094 -0.016 0.000 1.047 801 V CA 1.977 64.216 62.300 -0.103 0.000 1.015 801 V CB -0.555 31.240 31.823 -0.047 0.000 0.642 801 V HN 0.492 nan 8.190 nan 0.000 0.446 802 I N -0.555 120.027 120.570 0.021 0.000 2.423 802 I HA -0.259 3.903 4.170 -0.013 0.000 0.254 802 I C 2.617 178.783 176.117 0.081 0.000 1.151 802 I CA 1.343 62.698 61.300 0.092 0.000 1.421 802 I CB -0.288 37.812 38.000 0.166 0.000 1.079 802 I HN 0.176 nan 8.210 nan 0.000 0.431 803 R N 0.680 121.203 120.500 0.038 0.000 2.119 803 R HA -0.029 4.304 4.340 -0.013 0.000 0.222 803 R C 2.022 178.353 176.300 0.051 0.000 1.088 803 R CA 1.034 57.154 56.100 0.035 0.000 0.984 803 R CB -0.171 30.131 30.300 0.005 0.000 0.884 803 R HN 0.411 nan 8.270 nan 0.000 0.447 804 N N -0.191 118.533 118.700 0.041 0.000 2.132 804 N HA -0.078 4.655 4.740 -0.013 0.000 0.187 804 N C 1.788 177.356 175.510 0.098 0.000 1.038 804 N CA 1.395 54.492 53.050 0.078 0.000 0.846 804 N CB -0.027 38.477 38.487 0.029 0.000 1.012 804 N HN 0.111 nan 8.380 nan 0.000 0.429 805 I N 1.877 122.494 120.570 0.077 0.000 2.118 805 I HA -0.287 3.875 4.170 -0.013 0.000 0.241 805 I C 2.420 178.586 176.117 0.082 0.000 1.070 805 I CA 1.250 62.600 61.300 0.083 0.000 1.327 805 I CB -0.360 37.683 38.000 0.072 0.000 1.034 805 I HN 0.104 nan 8.210 nan 0.000 0.405 806 A N -1.243 121.624 122.820 0.079 0.000 2.131 806 A HA -0.207 4.106 4.320 -0.013 0.000 0.220 806 A C 2.203 179.821 177.584 0.057 0.000 1.158 806 A CA 2.252 54.325 52.037 0.061 0.000 0.665 806 A CB -0.630 18.411 19.000 0.068 0.000 0.795 806 A HN 0.428 nan 8.150 nan 0.000 0.460 807 T N -1.121 113.482 114.554 0.081 0.000 3.132 807 T HA 0.147 4.489 4.350 -0.013 0.000 0.274 807 T C 1.426 176.206 174.700 0.134 0.000 1.011 807 T CA 0.677 62.828 62.100 0.084 0.000 0.899 807 T CB -0.380 68.538 68.868 0.084 0.000 1.089 807 T HN 0.613 nan 8.240 nan 0.000 0.543 808 S N -0.882 114.917 115.700 0.166 0.000 2.593 808 S HA 0.191 4.654 4.470 -0.013 0.000 0.217 808 S C 2.286 176.999 174.600 0.188 0.000 0.966 808 S CA 0.491 58.862 58.200 0.285 0.000 0.914 808 S CB -0.252 63.106 63.200 0.262 0.000 0.776 808 S HN 0.422 nan 8.310 nan 0.000 0.523 809 G N 2.849 111.692 108.800 0.072 0.000 2.503 809 G HA2 -0.321 3.632 3.960 -0.013 0.000 0.221 809 G HA3 -0.321 3.632 3.960 -0.013 0.000 0.221 809 G C 1.334 176.189 174.900 -0.074 0.000 1.131 809 G CA 1.113 46.227 45.100 0.024 0.000 0.756 809 G HN 0.587 nan 8.290 nan 0.000 0.572 810 K N -0.038 120.204 120.400 -0.263 0.000 2.281 810 K HA -0.030 4.283 4.320 -0.013 0.000 0.203 810 K C 1.087 177.371 176.600 -0.527 0.000 1.046 810 K CA 0.593 56.597 56.287 -0.472 0.000 0.938 810 K CB -0.268 31.785 32.500 -0.746 0.000 0.737 810 K HN 0.433 nan 8.250 nan 0.000 0.458 811 F N 1.048 121.030 119.950 0.052 0.000 2.663 811 F HA 0.103 4.622 4.527 -0.013 0.000 0.299 811 F C 0.796 176.642 175.800 0.077 0.000 1.143 811 F CA -0.618 57.419 58.000 0.062 0.000 1.387 811 F CB 0.444 39.478 39.000 0.056 0.000 1.019 811 F HN -0.113 nan 8.300 nan 0.000 0.523 812 S N 0.075 115.865 115.700 0.149 0.000 2.537 812 S HA 0.121 4.583 4.470 -0.013 0.000 0.275 812 S C 1.351 176.038 174.600 0.146 0.000 1.272 812 S CA -0.347 57.938 58.200 0.142 0.000 1.050 812 S CB 1.069 64.323 63.200 0.090 0.000 0.961 812 S HN 0.299 nan 8.310 nan 0.000 0.496 813 S N 3.061 118.870 115.700 0.182 0.000 2.507 813 S HA -0.072 4.391 4.470 -0.013 0.000 0.235 813 S C 0.881 175.544 174.600 0.106 0.000 0.988 813 S CA 0.666 58.996 58.200 0.216 0.000 0.944 813 S CB -0.362 63.031 63.200 0.321 0.000 0.762 813 S HN 0.787 nan 8.310 nan 0.000 0.526 814 D N 1.790 122.234 120.400 0.075 0.000 2.144 814 D HA -0.048 4.585 4.640 -0.013 0.000 0.200 814 D C 2.104 178.415 176.300 0.019 0.000 0.978 814 D CA 0.677 54.699 54.000 0.036 0.000 0.833 814 D CB -0.280 40.538 40.800 0.031 0.000 0.961 814 D HN 0.291 nan 8.370 nan 0.000 0.470 815 R N 0.723 121.237 120.500 0.024 0.000 2.066 815 R HA -0.081 4.252 4.340 -0.013 0.000 0.232 815 R C 1.867 178.167 176.300 0.000 0.000 1.131 815 R CA 1.335 57.434 56.100 -0.000 0.000 0.955 815 R CB -0.632 29.656 30.300 -0.019 0.000 0.851 815 R HN 0.120 nan 8.270 nan 0.000 0.432 816 T N 2.245 116.824 114.554 0.042 0.000 2.652 816 T HA -0.130 4.212 4.350 -0.013 0.000 0.267 816 T C 1.946 176.669 174.700 0.037 0.000 1.039 816 T CA 1.403 63.550 62.100 0.078 0.000 1.153 816 T CB -0.156 68.840 68.868 0.213 0.000 0.863 816 T HN 0.098 nan 8.240 nan 0.000 0.428 817 I N 1.858 122.373 120.570 -0.092 0.000 2.226 817 I HA -0.112 4.051 4.170 -0.013 0.000 0.245 817 I C 2.930 179.015 176.117 -0.054 0.000 1.100 817 I CA 1.000 62.205 61.300 -0.157 0.000 1.374 817 I CB -1.707 36.200 38.000 -0.154 0.000 1.057 817 I HN 0.205 nan 8.210 nan 0.000 0.413 818 A N -0.012 122.791 122.820 -0.028 0.000 1.972 818 A HA -0.236 4.077 4.320 -0.013 0.000 0.219 818 A C 2.277 179.826 177.584 -0.058 0.000 1.169 818 A CA 1.437 53.463 52.037 -0.019 0.000 0.635 818 A CB -0.551 18.442 19.000 -0.011 0.000 0.810 818 A HN 0.506 nan 8.150 nan 0.000 0.446 819 Q N -1.954 117.792 119.800 -0.090 0.000 2.083 819 Q HA -0.148 4.184 4.340 -0.013 0.000 0.198 819 Q C 1.902 177.741 176.000 -0.269 0.000 0.969 819 Q CA 1.555 57.263 55.803 -0.159 0.000 0.838 819 Q CB -0.251 28.378 28.738 -0.180 0.000 0.900 819 Q HN 0.825 nan 8.270 nan 0.000 0.436 820 Y N 0.408 120.429 120.300 -0.465 0.000 2.145 820 Y HA -0.285 4.257 4.550 -0.013 0.000 0.286 820 Y C 2.434 177.802 175.900 -0.887 0.000 1.145 820 Y CA 1.277 58.854 58.100 -0.871 0.000 1.148 820 Y CB -0.477 37.145 38.460 -1.396 0.000 0.981 820 Y HN 0.160 nan 8.280 nan 0.000 0.507 821 A N 0.449 123.067 122.820 -0.337 0.000 1.873 821 A HA -0.271 4.041 4.320 -0.013 0.000 0.218 821 A C 2.259 179.859 177.584 0.026 0.000 1.193 821 A CA 2.353 54.422 52.037 0.053 0.000 0.629 821 A CB -0.652 18.437 19.000 0.149 0.000 0.826 821 A HN 0.450 nan 8.150 nan 0.000 0.447 822 R N -0.665 119.813 120.500 -0.036 0.000 2.062 822 R HA -0.043 4.289 4.340 -0.013 0.000 0.226 822 R C 1.876 178.153 176.300 -0.039 0.000 1.125 822 R CA 1.479 57.567 56.100 -0.020 0.000 0.966 822 R CB -0.280 30.003 30.300 -0.028 0.000 0.861 822 R HN 0.674 nan 8.270 nan 0.000 0.433 823 E N -0.280 119.858 120.200 -0.103 0.000 2.478 823 E HA 0.071 4.413 4.350 -0.013 0.000 0.194 823 E C 1.350 177.898 176.600 -0.085 0.000 1.045 823 E CA 0.492 56.835 56.400 -0.095 0.000 0.868 823 E CB 0.462 30.081 29.700 -0.135 0.000 0.885 823 E HN 0.365 nan 8.360 nan 0.000 0.505 824 I N -1.475 119.017 120.570 -0.130 0.000 3.878 824 I HA 0.026 4.189 4.170 -0.013 0.000 0.273 824 I C 1.262 177.497 176.117 0.196 0.000 1.165 824 I CA -0.121 61.157 61.300 -0.037 0.000 1.360 824 I CB 0.140 37.973 38.000 -0.279 0.000 1.539 824 I HN 0.106 nan 8.210 nan 0.000 0.447 825 W N 1.817 123.210 121.300 0.154 0.000 2.518 825 W HA 0.283 4.935 4.660 -0.013 0.000 0.273 825 W C 1.551 178.105 176.519 0.058 0.000 1.247 825 W CA 0.984 58.398 57.345 0.116 0.000 1.288 825 W CB -1.075 28.441 29.460 0.092 0.000 1.107 825 W HN 0.355 nan 8.180 nan 0.000 0.586 826 G N 0.933 109.863 108.800 0.217 0.000 2.225 826 G HA2 -0.110 3.842 3.960 -0.013 0.000 0.264 826 G HA3 -0.110 3.842 3.960 -0.013 0.000 0.264 826 G C -0.280 174.692 174.900 0.119 0.000 1.060 826 G CA 0.215 45.390 45.100 0.125 0.000 0.833 826 G HN 0.393 nan 8.290 nan 0.000 0.498 827 V N -4.406 115.597 119.914 0.149 0.000 3.040 827 V HA 0.935 5.047 4.120 -0.013 0.000 0.312 827 V C -0.396 175.755 176.094 0.095 0.000 1.115 827 V CA -1.666 60.703 62.300 0.116 0.000 0.998 827 V CB 2.361 34.265 31.823 0.135 0.000 1.042 827 V HN 0.119 nan 8.190 nan 0.000 0.433 828 E N 3.304 123.545 120.200 0.068 0.000 2.133 828 E HA 0.531 4.873 4.350 -0.013 0.000 0.274 828 E C -2.537 174.096 176.600 0.055 0.000 0.930 828 E CA -1.770 54.663 56.400 0.055 0.000 0.770 828 E CB 1.935 31.660 29.700 0.041 0.000 1.104 828 E HN 0.752 nan 8.360 nan 0.000 0.403 829 P HA 0.071 nan 4.420 nan 0.000 0.270 829 P C -0.503 176.822 177.300 0.042 0.000 1.223 829 P CA -0.261 62.869 63.100 0.051 0.000 0.785 829 P CB 0.803 32.529 31.700 0.044 0.000 0.923 830 S N 0.742 116.467 115.700 0.042 0.000 2.603 830 S HA 0.315 4.777 4.470 -0.013 0.000 0.274 830 S C -0.072 174.549 174.600 0.034 0.000 1.168 830 S CA -0.865 57.358 58.200 0.038 0.000 0.963 830 S CB 1.003 64.230 63.200 0.045 0.000 1.078 830 S HN 0.300 nan 8.310 nan 0.000 0.477 831 R N 2.933 123.451 120.500 0.029 0.000 2.978 831 R HA 0.214 4.546 4.340 -0.013 0.000 0.298 831 R C -0.226 176.083 176.300 0.015 0.000 1.296 831 R CA -0.095 56.020 56.100 0.026 0.000 1.181 831 R CB 0.191 30.509 30.300 0.029 0.000 1.348 831 R HN 0.652 nan 8.270 nan 0.000 0.585 832 Q N 0.951 120.759 119.800 0.013 0.000 2.274 832 Q HA 0.215 4.548 4.340 -0.013 0.000 0.256 832 Q C -0.417 175.573 176.000 -0.016 0.000 0.927 832 Q CA -0.536 55.268 55.803 0.003 0.000 0.939 832 Q CB 1.462 30.207 28.738 0.011 0.000 1.201 832 Q HN -0.089 nan 8.270 nan 0.000 0.426 833 R N 1.797 122.281 120.500 -0.026 0.000 2.484 833 R HA 0.037 4.370 4.340 -0.013 0.000 0.293 833 R C -0.495 175.769 176.300 -0.060 0.000 1.023 833 R CA -0.146 55.927 56.100 -0.046 0.000 1.037 833 R CB 0.066 30.339 30.300 -0.045 0.000 0.951 833 R HN 0.416 nan 8.270 nan 0.000 0.418 834 L N 6.688 127.860 121.223 -0.086 0.000 2.461 834 L HA 0.173 4.505 4.340 -0.013 0.000 0.272 834 L C -1.650 175.164 176.870 -0.093 0.000 1.197 834 L CA -1.766 52.994 54.840 -0.134 0.000 0.836 834 L CB 0.410 42.362 42.059 -0.179 0.000 1.105 834 L HN 0.612 nan 8.230 nan 0.000 0.477 835 P HA 0.034 nan 4.420 nan 0.000 0.229 835 P C 0.012 177.292 177.300 -0.034 0.000 1.485 835 P CA 0.670 63.744 63.100 -0.043 0.000 1.217 835 P CB -0.654 31.032 31.700 -0.023 0.000 1.852 836 A N 4.839 127.639 122.820 -0.034 0.000 6.759 836 A HA -0.177 4.135 4.320 -0.013 0.000 0.308 836 A C -1.363 176.211 177.584 -0.017 0.000 2.086 836 A CA 0.497 52.520 52.037 -0.022 0.000 1.123 836 A CB -1.909 17.085 19.000 -0.011 0.000 1.078 836 A HN 0.376 nan 8.150 nan 0.000 0.457 837 P HA 0.178 nan 4.420 nan 0.000 0.244 837 P C 0.104 177.413 177.300 0.015 0.000 1.191 837 P CA 0.566 63.673 63.100 0.012 0.000 0.829 837 P CB -0.360 31.358 31.700 0.029 0.000 1.008 838 D N 1.866 122.273 120.400 0.012 0.000 5.561 838 D HA -0.191 4.441 4.640 -0.013 0.000 0.166 838 D C 1.457 177.763 176.300 0.010 0.000 1.127 838 D CA 0.777 54.784 54.000 0.011 0.000 0.720 838 D CB 0.175 40.980 40.800 0.008 0.000 1.322 838 D HN 0.091 nan 8.370 nan 0.000 0.745 839 E N 2.934 123.140 120.200 0.009 0.000 2.965 839 E HA -0.446 3.897 4.350 -0.013 0.000 0.215 839 E C 0.162 176.765 176.600 0.005 0.000 0.862 839 E CA 2.756 59.159 56.400 0.005 0.000 1.372 839 E CB -0.256 29.445 29.700 0.002 0.000 1.425 839 E HN 0.892 nan 8.360 nan 0.000 0.458 840 K N -0.590 119.812 120.400 0.004 0.000 7.396 840 K HA -0.163 4.149 4.320 -0.013 0.000 0.647 840 K C -0.603 175.998 176.600 0.001 0.000 2.584 840 K CA 1.249 57.538 56.287 0.004 0.000 1.938 840 K CB -0.658 31.847 32.500 0.009 0.000 1.962 840 K HN 0.336 nan 8.250 nan 0.000 0.295 841 I N 3.306 123.875 120.570 -0.001 0.000 2.642 841 I HA 0.294 4.456 4.170 -0.013 0.000 0.273 841 I C -1.972 174.143 176.117 -0.003 0.000 1.208 841 I CA -1.569 59.728 61.300 -0.005 0.000 1.037 841 I CB 0.391 38.386 38.000 -0.009 0.000 1.253 841 I HN 0.935 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