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 1wut_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 SSXXXXXXXX XTNFDAFPDK 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 RLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.051 0.000 1.214 14 S N 0.182 115.876 115.700 -0.010 0.000 2.592 14 S HA 0.145 4.608 4.470 -0.011 0.000 0.247 14 S C 0.386 174.990 174.600 0.006 0.000 1.322 14 S CA -0.241 57.961 58.200 0.003 0.000 0.973 14 S CB 0.435 63.641 63.200 0.011 0.000 0.971 14 S HN 0.623 nan 8.310 nan 0.000 0.545 15 V N 2.128 122.053 119.914 0.018 0.000 2.847 15 V HA 0.203 4.316 4.120 -0.011 0.000 0.364 15 V C 0.611 176.715 176.094 0.016 0.000 1.374 15 V CA -0.273 62.038 62.300 0.019 0.000 1.542 15 V CB -1.232 30.613 31.823 0.035 0.000 1.471 15 V HN 0.551 nan 8.190 nan 0.000 0.557 16 R N 1.736 122.238 120.500 0.004 0.000 2.449 16 R HA 0.464 4.797 4.340 -0.011 0.000 0.262 16 R C 0.844 177.135 176.300 -0.016 0.000 1.006 16 R CA 0.527 56.626 56.100 -0.002 0.000 1.104 16 R CB 0.277 30.573 30.300 -0.007 0.000 1.206 16 R HN 0.649 nan 8.270 nan 0.000 0.538 17 G N 0.680 109.470 108.800 -0.017 0.000 2.566 17 G HA2 -0.168 3.785 3.960 -0.011 0.000 0.599 17 G HA3 -0.168 3.785 3.960 -0.011 0.000 0.599 17 G C -1.293 173.590 174.900 -0.028 0.000 1.292 17 G CA -1.090 43.991 45.100 -0.031 0.000 0.922 17 G HN 0.001 nan 8.290 nan 0.000 0.514 18 L N 0.500 121.703 121.223 -0.032 0.000 2.343 18 L HA 0.758 5.091 4.340 -0.011 0.000 0.275 18 L C 1.245 178.098 176.870 -0.027 0.000 1.056 18 L CA 0.024 54.848 54.840 -0.026 0.000 0.804 18 L CB 1.304 43.349 42.059 -0.023 0.000 1.203 18 L HN 1.562 nan 8.230 nan 0.000 0.440 19 A N 2.325 125.131 122.820 -0.023 0.000 3.173 19 A HA 0.569 4.882 4.320 -0.011 0.000 0.304 19 A C 0.746 178.323 177.584 -0.013 0.000 1.318 19 A CA -0.302 51.723 52.037 -0.021 0.000 1.069 19 A CB -0.685 18.300 19.000 -0.025 0.000 1.147 19 A HN 0.776 nan 8.150 nan 0.000 0.547 20 G N -0.228 108.566 108.800 -0.011 0.000 2.484 20 G HA2 0.298 4.251 3.960 -0.011 0.000 0.235 20 G HA3 0.298 4.251 3.960 -0.011 0.000 0.235 20 G C 1.024 175.926 174.900 0.004 0.000 1.282 20 G CA 0.073 45.171 45.100 -0.003 0.000 0.857 20 G HN 0.431 nan 8.290 nan 0.000 0.571 21 V N 2.086 122.004 119.914 0.007 0.000 2.255 21 V HA -0.177 3.937 4.120 -0.011 0.000 0.247 21 V C 2.695 178.800 176.094 0.017 0.000 1.051 21 V CA 2.419 64.726 62.300 0.011 0.000 1.018 21 V CB -0.683 31.146 31.823 0.010 0.000 0.641 21 V HN 0.772 nan 8.190 nan 0.000 0.445 22 E N 0.247 120.458 120.200 0.019 0.000 2.106 22 E HA -0.170 4.174 4.350 -0.011 0.000 0.192 22 E C 2.044 178.666 176.600 0.037 0.000 0.984 22 E CA 1.411 57.827 56.400 0.026 0.000 0.806 22 E CB -0.281 29.434 29.700 0.024 0.000 0.750 22 E HN 0.646 nan 8.360 nan 0.000 0.458 23 N N -1.228 117.492 118.700 0.033 0.000 2.354 23 N HA -0.067 4.666 4.740 -0.011 0.000 0.179 23 N C 1.329 176.866 175.510 0.044 0.000 1.021 23 N CA 0.382 53.459 53.050 0.045 0.000 0.887 23 N CB 0.346 38.848 38.487 0.025 0.000 0.974 23 N HN -0.045 nan 8.380 nan 0.000 0.437 24 V N -0.115 119.816 119.914 0.030 0.000 2.548 24 V HA -0.149 3.964 4.120 -0.011 0.000 0.249 24 V C 1.893 178.011 176.094 0.041 0.000 1.055 24 V CA 1.568 63.885 62.300 0.028 0.000 1.065 24 V CB -0.513 31.321 31.823 0.019 0.000 0.681 24 V HN 0.385 nan 8.190 nan 0.000 0.462 25 T N -0.391 114.188 114.554 0.042 0.000 2.737 25 T HA -0.192 4.152 4.350 -0.011 0.000 0.265 25 T C 1.894 176.633 174.700 0.065 0.000 1.038 25 T CA 1.701 63.829 62.100 0.045 0.000 1.144 25 T CB -0.133 68.757 68.868 0.037 0.000 0.866 25 T HN 0.493 nan 8.240 nan 0.000 0.434 26 E N 0.883 121.127 120.200 0.074 0.000 2.051 26 E HA -0.104 4.239 4.350 -0.011 0.000 0.192 26 E C 1.959 178.640 176.600 0.135 0.000 0.991 26 E CA 0.829 57.286 56.400 0.096 0.000 0.799 26 E CB -0.537 29.225 29.700 0.104 0.000 0.748 26 E HN 0.145 nan 8.360 nan 0.000 0.449 27 L N 0.939 122.250 121.223 0.146 0.000 2.012 27 L HA -0.163 4.170 4.340 -0.011 0.000 0.210 27 L C 2.164 179.149 176.870 0.192 0.000 1.073 27 L CA 1.887 56.838 54.840 0.185 0.000 0.748 27 L CB -0.797 41.337 42.059 0.124 0.000 0.891 27 L HN 0.113 nan 8.230 nan 0.000 0.431 28 K N -0.307 120.169 120.400 0.127 0.000 2.057 28 K HA -0.199 4.114 4.320 -0.011 0.000 0.207 28 K C 1.955 178.671 176.600 0.193 0.000 1.049 28 K CA 1.726 58.087 56.287 0.123 0.000 0.931 28 K CB -0.076 32.454 32.500 0.050 0.000 0.714 28 K HN 0.429 nan 8.250 nan 0.000 0.440 29 K N 0.144 120.633 120.400 0.148 0.000 2.155 29 K HA -0.018 4.295 4.320 -0.011 0.000 0.203 29 K C 1.606 178.303 176.600 0.161 0.000 1.052 29 K CA 1.136 57.504 56.287 0.136 0.000 0.948 29 K CB -0.083 32.469 32.500 0.087 0.000 0.728 29 K HN 0.032 nan 8.250 nan 0.000 0.448 30 N N 0.621 119.433 118.700 0.188 0.000 2.270 30 N HA -0.086 4.648 4.740 -0.011 0.000 0.181 30 N C 1.546 177.244 175.510 0.313 0.000 1.016 30 N CA 0.832 54.001 53.050 0.198 0.000 0.870 30 N CB -0.154 38.462 38.487 0.214 0.000 0.979 30 N HN 0.187 nan 8.380 nan 0.000 0.431 31 F N 2.536 122.603 119.950 0.194 0.000 2.134 31 F HA -0.062 4.459 4.527 -0.011 0.000 0.299 31 F C 1.963 177.883 175.800 0.200 0.000 1.097 31 F CA 1.243 59.368 58.000 0.208 0.000 1.264 31 F CB -0.147 38.942 39.000 0.148 0.000 1.001 31 F HN -0.040 nan 8.300 nan 0.000 0.479 32 N N 0.359 119.272 118.700 0.354 0.000 2.270 32 N HA -0.135 4.598 4.740 -0.011 0.000 0.181 32 N C 2.080 177.672 175.510 0.137 0.000 1.016 32 N CA 0.600 53.783 53.050 0.222 0.000 0.870 32 N CB -0.444 38.169 38.487 0.210 0.000 0.979 32 N HN 0.319 nan 8.380 nan 0.000 0.431 33 R N 0.683 121.265 120.500 0.136 0.000 2.070 33 R HA -0.102 4.232 4.340 -0.011 0.000 0.233 33 R C 1.697 178.072 176.300 0.126 0.000 1.137 33 R CA 1.471 57.667 56.100 0.160 0.000 0.945 33 R CB -0.427 29.868 30.300 -0.008 0.000 0.845 33 R HN 0.419 nan 8.270 nan 0.000 0.430 34 H N -0.189 118.925 119.070 0.073 0.000 2.353 34 H HA -0.131 4.418 4.556 -0.011 0.000 0.300 34 H C 1.844 177.113 175.328 -0.098 0.000 1.090 34 H CA 1.491 57.517 56.048 -0.036 0.000 1.327 34 H CB -0.035 29.669 29.762 -0.097 0.000 1.383 34 H HN 0.077 nan 8.280 nan 0.000 0.508 35 L N -0.063 121.138 121.223 -0.035 0.000 2.079 35 L HA -0.194 4.139 4.340 -0.011 0.000 0.210 35 L C 2.155 179.003 176.870 -0.036 0.000 1.081 35 L CA 1.824 56.607 54.840 -0.095 0.000 0.752 35 L CB -0.391 41.602 42.059 -0.110 0.000 0.896 35 L HN 0.306 nan 8.230 nan 0.000 0.433 36 H N -1.790 117.208 119.070 -0.119 0.000 2.287 36 H HA -0.028 4.521 4.556 -0.011 0.000 0.309 36 H C 1.804 176.950 175.328 -0.304 0.000 1.059 36 H CA 2.154 58.051 56.048 -0.252 0.000 1.357 36 H CB -0.306 29.232 29.762 -0.373 0.000 1.409 36 H HN 0.273 nan 8.280 nan 0.000 0.515 37 F N -0.294 119.613 119.950 -0.072 0.000 2.293 37 F HA -0.037 4.483 4.527 -0.011 0.000 0.297 37 F C 2.533 178.236 175.800 -0.161 0.000 1.089 37 F CA 1.447 59.360 58.000 -0.145 0.000 1.377 37 F CB -0.315 38.630 39.000 -0.092 0.000 1.051 37 F HN 0.192 nan 8.300 nan 0.000 0.511 38 T N -0.445 114.125 114.554 0.027 0.000 2.901 38 T HA 0.028 4.371 4.350 -0.011 0.000 0.252 38 T C 1.625 176.233 174.700 -0.154 0.000 1.035 38 T CA 0.652 62.699 62.100 -0.089 0.000 1.142 38 T CB -0.150 68.636 68.868 -0.136 0.000 0.869 38 T HN -0.061 nan 8.240 nan 0.000 0.442 39 L N 1.278 122.415 121.223 -0.143 0.000 2.567 39 L HA 0.288 4.621 4.340 -0.011 0.000 0.225 39 L C 0.827 177.600 176.870 -0.162 0.000 1.119 39 L CA 0.189 54.932 54.840 -0.161 0.000 0.871 39 L CB -0.857 41.116 42.059 -0.143 0.000 1.036 39 L HN 0.065 nan 8.230 nan 0.000 0.459 40 V N -0.514 119.286 119.914 -0.190 0.000 5.175 40 V HA -0.320 3.794 4.120 -0.011 0.000 0.279 40 V C 0.803 176.776 176.094 -0.201 0.000 0.571 40 V CA 1.007 63.161 62.300 -0.243 0.000 0.694 40 V CB -2.121 29.586 31.823 -0.192 0.000 0.525 40 V HN 0.388 nan 8.190 nan 0.000 1.093 41 K N 0.591 120.889 120.400 -0.169 0.000 2.352 41 K HA 0.653 4.966 4.320 -0.011 0.000 0.240 41 K C -0.367 176.196 176.600 -0.062 0.000 1.017 41 K CA -0.712 55.505 56.287 -0.117 0.000 0.851 41 K CB 2.591 35.017 32.500 -0.124 0.000 1.261 41 K HN 0.428 nan 8.250 nan 0.000 0.451 42 D N 0.643 121.026 120.400 -0.028 0.000 2.575 42 D HA 0.198 4.832 4.640 -0.011 0.000 0.236 42 D C 0.618 176.941 176.300 0.038 0.000 1.075 42 D CA -0.391 53.627 54.000 0.030 0.000 0.860 42 D CB 1.360 42.177 40.800 0.028 0.000 1.475 42 D HN 0.245 nan 8.370 nan 0.000 0.474 43 R N 2.001 122.557 120.500 0.094 0.000 2.228 43 R HA -0.182 4.151 4.340 -0.011 0.000 0.259 43 R C 1.276 177.646 176.300 0.116 0.000 1.183 43 R CA 1.114 57.307 56.100 0.154 0.000 1.002 43 R CB -0.730 29.666 30.300 0.159 0.000 0.879 43 R HN 0.578 nan 8.270 nan 0.000 0.467 44 N N 0.430 119.169 118.700 0.064 0.000 2.309 44 N HA -0.090 4.643 4.740 -0.011 0.000 0.182 44 N C 1.414 176.939 175.510 0.025 0.000 1.018 44 N CA 1.645 54.722 53.050 0.045 0.000 0.876 44 N CB 0.274 38.779 38.487 0.029 0.000 0.972 44 N HN 0.234 nan 8.380 nan 0.000 0.434 45 V N -2.869 117.045 119.914 0.000 0.000 3.330 45 V HA 0.484 4.597 4.120 -0.011 0.000 0.309 45 V C 0.547 176.600 176.094 -0.068 0.000 1.481 45 V CA -0.685 61.601 62.300 -0.023 0.000 1.068 45 V CB -0.079 31.728 31.823 -0.028 0.000 0.935 45 V HN 0.032 nan 8.190 nan 0.000 0.453 46 A N 2.167 124.919 122.820 -0.114 0.000 2.454 46 A HA 0.579 4.892 4.320 -0.011 0.000 0.260 46 A C 0.786 178.178 177.584 -0.321 0.000 1.106 46 A CA 0.737 52.583 52.037 -0.317 0.000 0.780 46 A CB -0.107 18.540 19.000 -0.587 0.000 1.044 46 A HN 0.731 nan 8.150 nan 0.000 0.498 47 T N 0.822 115.217 114.554 -0.266 0.000 2.918 47 T HA 0.513 4.856 4.350 -0.011 0.000 0.283 47 T C -1.991 172.656 174.700 -0.089 0.000 1.001 47 T CA -1.806 60.229 62.100 -0.109 0.000 1.041 47 T CB 1.166 70.007 68.868 -0.046 0.000 1.028 47 T HN 0.307 nan 8.240 nan 0.000 0.511 48 P HA -0.116 nan 4.420 nan 0.000 0.218 48 P C 1.454 178.881 177.300 0.212 0.000 1.146 48 P CA 0.858 64.111 63.100 0.255 0.000 0.813 48 P CB 0.041 31.854 31.700 0.189 0.000 0.778 49 R N 0.237 120.809 120.500 0.120 0.000 2.092 49 R HA -0.097 4.236 4.340 -0.011 0.000 0.231 49 R C 1.771 178.256 176.300 0.307 0.000 1.119 49 R CA 1.610 57.822 56.100 0.187 0.000 0.970 49 R CB -0.941 29.414 30.300 0.092 0.000 0.864 49 R HN 0.055 nan 8.270 nan 0.000 0.440 50 D N -0.477 119.985 120.400 0.103 0.000 2.117 50 D HA -0.171 4.463 4.640 -0.011 0.000 0.198 50 D C 1.557 177.883 176.300 0.045 0.000 0.982 50 D CA 1.281 55.294 54.000 0.022 0.000 0.828 50 D CB -0.217 40.443 40.800 -0.233 0.000 0.967 50 D HN 0.283 nan 8.370 nan 0.000 0.464 51 Y N 0.221 120.622 120.300 0.169 0.000 2.181 51 Y HA -0.213 4.330 4.550 -0.011 0.000 0.288 51 Y C 2.334 178.365 175.900 0.218 0.000 1.146 51 Y CA 0.393 58.632 58.100 0.231 0.000 1.164 51 Y CB -1.109 37.550 38.460 0.331 0.000 0.982 51 Y HN 0.093 nan 8.280 nan 0.000 0.515 52 Y N -0.608 119.841 120.300 0.248 0.000 2.181 52 Y HA -0.263 4.281 4.550 -0.011 0.000 0.288 52 Y C 1.913 177.792 175.900 -0.036 0.000 1.146 52 Y CA 1.192 59.335 58.100 0.072 0.000 1.164 52 Y CB -1.109 37.294 38.460 -0.096 0.000 0.982 52 Y HN 0.056 nan 8.280 nan 0.000 0.515 53 F N 0.165 119.863 119.950 -0.420 0.000 2.186 53 F HA -0.091 4.430 4.527 -0.011 0.000 0.299 53 F C 2.650 178.276 175.800 -0.289 0.000 1.090 53 F CA 1.212 58.920 58.000 -0.488 0.000 1.307 53 F CB -0.760 38.143 39.000 -0.162 0.000 1.019 53 F HN 0.185 nan 8.300 nan 0.000 0.489 54 A N -0.131 122.644 122.820 -0.075 0.000 1.908 54 A HA -0.201 4.112 4.320 -0.011 0.000 0.218 54 A C 2.052 179.539 177.584 -0.161 0.000 1.181 54 A CA 1.674 53.557 52.037 -0.256 0.000 0.627 54 A CB -1.003 17.514 19.000 -0.805 0.000 0.818 54 A HN 0.360 nan 8.150 nan 0.000 0.445 55 L N -0.402 120.834 121.223 0.021 0.000 2.056 55 L HA 0.028 4.362 4.340 -0.011 0.000 0.207 55 L C 2.669 179.526 176.870 -0.023 0.000 1.078 55 L CA 2.089 57.051 54.840 0.203 0.000 0.749 55 L CB -0.858 41.385 42.059 0.307 0.000 0.901 55 L HN 0.331 nan 8.230 nan 0.000 0.433 56 A N -1.168 121.467 122.820 -0.308 0.000 1.883 56 A HA -0.287 4.027 4.320 -0.011 0.000 0.217 56 A C 2.148 179.383 177.584 -0.583 0.000 1.186 56 A CA 2.058 53.786 52.037 -0.514 0.000 0.624 56 A CB -1.114 17.265 19.000 -1.034 0.000 0.822 56 A HN 0.675 nan 8.150 nan 0.000 0.444 57 H N -0.858 117.902 119.070 -0.516 0.000 2.423 57 H HA -0.042 4.507 4.556 -0.011 0.000 0.297 57 H C 2.282 177.306 175.328 -0.508 0.000 1.075 57 H CA 1.891 57.564 56.048 -0.625 0.000 1.342 57 H CB -0.050 29.123 29.762 -0.981 0.000 1.395 57 H HN 0.480 nan 8.280 nan 0.000 0.530 58 T N -0.542 113.904 114.554 -0.181 0.000 2.777 58 T HA -0.105 4.238 4.350 -0.011 0.000 0.266 58 T C 2.234 177.082 174.700 0.245 0.000 1.040 58 T CA 1.191 63.369 62.100 0.130 0.000 1.141 58 T CB -0.311 68.725 68.868 0.279 0.000 0.868 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 1.677 121.713 119.914 0.202 0.000 2.453 59 V HA -0.092 4.021 4.120 -0.011 0.000 0.247 59 V C 2.643 178.917 176.094 0.300 0.000 1.048 59 V CA 1.461 63.932 62.300 0.286 0.000 1.049 59 V CB -0.604 31.382 31.823 0.271 0.000 0.672 59 V HN 0.377 nan 8.190 nan 0.000 0.457 60 R N 0.225 120.849 120.500 0.206 0.000 2.096 60 R HA -0.210 4.124 4.340 -0.011 0.000 0.235 60 R C 1.910 178.307 176.300 0.163 0.000 1.127 60 R CA 2.000 58.226 56.100 0.210 0.000 0.968 60 R CB -0.427 29.854 30.300 -0.032 0.000 0.861 60 R HN 0.430 nan 8.270 nan 0.000 0.440 61 D N 0.033 120.504 120.400 0.118 0.000 2.182 61 D HA -0.168 4.466 4.640 -0.011 0.000 0.201 61 D C 1.631 177.930 176.300 -0.002 0.000 0.986 61 D CA 1.101 55.140 54.000 0.064 0.000 0.847 61 D CB -0.296 40.529 40.800 0.042 0.000 0.942 61 D HN 0.440 nan 8.370 nan 0.000 0.467 62 H N -0.458 118.673 119.070 0.101 0.000 2.546 62 H HA 0.029 4.579 4.556 -0.011 0.000 0.277 62 H C 1.948 177.314 175.328 0.064 0.000 1.004 62 H CA 0.636 56.729 56.048 0.075 0.000 1.231 62 H CB 0.422 30.221 29.762 0.061 0.000 1.382 62 H HN 0.287 nan 8.280 nan 0.000 0.580 63 L N -1.535 119.789 121.223 0.169 0.000 2.731 63 L HA 0.161 4.494 4.340 -0.011 0.000 0.240 63 L C 2.094 179.066 176.870 0.170 0.000 1.120 63 L CA 0.060 54.968 54.840 0.115 0.000 0.913 63 L CB -0.211 41.866 42.059 0.030 0.000 1.213 63 L HN -0.119 nan 8.230 nan 0.000 0.515 64 V N -1.642 118.396 119.914 0.207 0.000 2.427 64 V HA 0.015 4.128 4.120 -0.011 0.000 0.248 64 V C 2.492 178.703 176.094 0.195 0.000 1.051 64 V CA 1.721 64.192 62.300 0.286 0.000 1.048 64 V CB -1.785 30.168 31.823 0.218 0.000 0.666 64 V HN 0.369 nan 8.190 nan 0.000 0.456 65 G N 0.068 108.938 108.800 0.117 0.000 2.440 65 G HA2 -0.225 3.728 3.960 -0.011 0.000 0.218 65 G HA3 -0.225 3.728 3.960 -0.011 0.000 0.218 65 G C 1.815 176.763 174.900 0.079 0.000 1.154 65 G CA 0.953 46.096 45.100 0.073 0.000 0.767 65 G HN 0.508 nan 8.290 nan 0.000 0.552 66 R N -1.563 118.995 120.500 0.096 0.000 2.093 66 R HA -0.009 4.324 4.340 -0.011 0.000 0.224 66 R C 2.235 178.616 176.300 0.135 0.000 1.101 66 R CA 0.713 56.857 56.100 0.073 0.000 0.979 66 R CB -0.298 30.026 30.300 0.040 0.000 0.877 66 R HN 0.448 nan 8.270 nan 0.000 0.441 67 W N 1.578 122.858 121.300 -0.034 0.000 2.335 67 W HA -0.120 4.533 4.660 -0.011 0.000 0.311 67 W C 1.691 178.180 176.519 -0.050 0.000 1.213 67 W CA 1.066 58.387 57.345 -0.040 0.000 1.274 67 W CB -0.700 28.757 29.460 -0.006 0.000 1.148 67 W HN -0.021 nan 8.180 nan 0.000 0.498 68 I N 0.845 121.477 120.570 0.104 0.000 2.163 68 I HA -0.372 3.791 4.170 -0.011 0.000 0.243 68 I C 2.600 178.705 176.117 -0.021 0.000 1.085 68 I CA 1.979 63.260 61.300 -0.031 0.000 1.347 68 I CB -0.474 37.512 38.000 -0.024 0.000 1.044 68 I HN -0.017 nan 8.210 nan 0.000 0.408 69 R N -0.286 120.216 120.500 0.002 0.000 2.148 69 R HA -0.031 4.302 4.340 -0.011 0.000 0.223 69 R C 2.033 178.303 176.300 -0.050 0.000 1.088 69 R CA 1.477 57.571 56.100 -0.010 0.000 0.985 69 R CB -1.079 29.215 30.300 -0.010 0.000 0.880 69 R HN 0.249 nan 8.270 nan 0.000 0.451 70 T N 1.491 115.987 114.554 -0.097 0.000 2.737 70 T HA -0.094 4.249 4.350 -0.011 0.000 0.265 70 T C 1.829 176.249 174.700 -0.468 0.000 1.038 70 T CA 1.124 63.052 62.100 -0.286 0.000 1.144 70 T CB -0.073 68.656 68.868 -0.231 0.000 0.866 70 T HN 0.158 nan 8.240 nan 0.000 0.434 71 Q N 1.183 120.847 119.800 -0.226 0.000 2.079 71 Q HA -0.129 4.205 4.340 -0.011 0.000 0.200 71 Q C 2.414 178.415 176.000 0.002 0.000 0.974 71 Q CA 1.545 57.280 55.803 -0.113 0.000 0.840 71 Q CB -0.604 28.108 28.738 -0.042 0.000 0.898 71 Q HN 0.808 nan 8.270 nan 0.000 0.430 72 Q N -0.551 119.252 119.800 0.006 0.000 2.170 72 Q HA -0.224 4.110 4.340 -0.011 0.000 0.203 72 Q C 1.837 177.930 176.000 0.155 0.000 0.976 72 Q CA 1.844 57.695 55.803 0.079 0.000 0.858 72 Q CB -0.391 28.373 28.738 0.043 0.000 0.907 72 Q HN 0.470 nan 8.270 nan 0.000 0.433 73 H N -0.467 118.589 119.070 -0.022 0.000 2.321 73 H HA -0.158 4.391 4.556 -0.011 0.000 0.300 73 H C 1.101 176.522 175.328 0.156 0.000 1.087 73 H CA 2.207 58.263 56.048 0.014 0.000 1.319 73 H CB -0.233 29.475 29.762 -0.089 0.000 1.379 73 H HN 0.365 nan 8.280 nan 0.000 0.501 74 Y N -0.966 119.407 120.300 0.122 0.000 2.333 74 Y HA -0.184 4.359 4.550 -0.011 0.000 0.290 74 Y C 2.347 178.287 175.900 0.066 0.000 1.144 74 Y CA 0.938 59.074 58.100 0.061 0.000 1.228 74 Y CB -1.271 37.279 38.460 0.149 0.000 0.985 74 Y HN 0.393 nan 8.280 nan 0.000 0.542 75 Y N 1.136 121.527 120.300 0.152 0.000 2.220 75 Y HA -0.135 4.408 4.550 -0.011 0.000 0.291 75 Y C 2.088 178.004 175.900 0.026 0.000 1.129 75 Y CA 1.587 59.740 58.100 0.088 0.000 1.161 75 Y CB -0.044 38.458 38.460 0.071 0.000 0.997 75 Y HN 0.030 nan 8.280 nan 0.000 0.522 76 E N 0.224 120.432 120.200 0.013 0.000 2.028 76 E HA -0.151 4.193 4.350 -0.011 0.000 0.191 76 E C 1.936 178.433 176.600 -0.171 0.000 0.988 76 E CA 1.117 57.455 56.400 -0.104 0.000 0.799 76 E CB -0.151 29.547 29.700 -0.004 0.000 0.755 76 E HN 0.366 nan 8.360 nan 0.000 0.447 77 K N 0.790 121.074 120.400 -0.194 0.000 2.217 77 K HA -0.076 4.237 4.320 -0.011 0.000 0.202 77 K C 0.219 176.747 176.600 -0.120 0.000 1.051 77 K CA 0.526 56.708 56.287 -0.175 0.000 0.952 77 K CB -0.454 31.889 32.500 -0.263 0.000 0.736 77 K HN 0.084 nan 8.250 nan 0.000 0.453 78 D N 0.619 120.959 120.400 -0.100 0.000 2.812 78 D HA -0.102 4.531 4.640 -0.011 0.000 0.237 78 D C -2.337 173.931 176.300 -0.054 0.000 1.162 78 D CA 0.109 54.063 54.000 -0.076 0.000 0.740 78 D CB -0.194 40.530 40.800 -0.127 0.000 1.000 78 D HN 0.172 nan 8.370 nan 0.000 0.416 79 P HA 0.175 nan 4.420 nan 0.000 0.282 79 P C -0.285 176.965 177.300 -0.084 0.000 1.287 79 P CA -0.721 62.336 63.100 -0.072 0.000 0.792 79 P CB 0.630 32.271 31.700 -0.098 0.000 1.163 80 K N 0.799 121.147 120.400 -0.086 0.000 2.412 80 K HA 0.107 4.421 4.320 -0.011 0.000 0.281 80 K C -0.133 176.362 176.600 -0.175 0.000 1.027 80 K CA -0.121 56.105 56.287 -0.102 0.000 0.989 80 K CB 0.247 32.703 32.500 -0.074 0.000 0.935 80 K HN 0.219 nan 8.250 nan 0.000 0.475 81 R N 3.606 123.977 120.500 -0.215 0.000 2.368 81 R HA 0.352 4.685 4.340 -0.011 0.000 0.302 81 R C -0.579 175.378 176.300 -0.572 0.000 1.002 81 R CA -0.464 55.415 56.100 -0.368 0.000 0.929 81 R CB 0.835 30.921 30.300 -0.357 0.000 1.073 81 R HN 0.514 nan 8.270 nan 0.000 0.464 82 I N 4.543 124.743 120.570 -0.617 0.000 2.339 82 I HA 0.229 4.392 4.170 -0.011 0.000 0.290 82 I C -0.690 175.083 176.117 -0.573 0.000 0.994 82 I CA -0.814 60.075 61.300 -0.686 0.000 1.191 82 I CB 0.834 38.324 38.000 -0.849 0.000 1.343 82 I HN 0.513 nan 8.210 nan 0.000 0.458 83 Y N 5.827 126.088 120.300 -0.065 0.000 2.334 83 Y HA 0.295 4.839 4.550 -0.011 0.000 0.336 83 Y C -0.299 175.710 175.900 0.182 0.000 0.960 83 Y CA -0.811 57.384 58.100 0.158 0.000 1.164 83 Y CB 1.144 39.667 38.460 0.105 0.000 1.155 83 Y HN 0.394 nan 8.280 nan 0.000 0.478 84 Y N 4.598 125.100 120.300 0.337 0.000 2.504 84 Y HA 0.473 5.017 4.550 -0.011 0.000 0.339 84 Y C -1.192 174.990 175.900 0.470 0.000 0.974 84 Y CA -0.961 57.344 58.100 0.342 0.000 1.232 84 Y CB 0.225 38.889 38.460 0.339 0.000 1.108 84 Y HN 0.527 nan 8.280 nan 0.000 0.509 85 L N 4.811 126.105 121.223 0.120 0.000 2.281 85 L HA 0.474 4.808 4.340 -0.011 0.000 0.285 85 L C -0.130 176.766 176.870 0.043 0.000 1.074 85 L CA 0.214 55.170 54.840 0.193 0.000 0.817 85 L CB 1.243 43.375 42.059 0.122 0.000 1.168 85 L HN 0.577 nan 8.230 nan 0.000 0.434 86 S N 2.670 118.473 115.700 0.171 0.000 2.537 86 S HA 0.490 4.953 4.470 -0.011 0.000 0.270 86 S C 0.009 174.697 174.600 0.147 0.000 1.142 86 S CA -0.551 57.655 58.200 0.011 0.000 0.870 86 S CB 0.981 63.989 63.200 -0.321 0.000 1.112 86 S HN 0.447 nan 8.310 nan 0.000 0.466 87 L N 2.644 123.994 121.223 0.211 0.000 2.611 87 L HA 0.495 4.828 4.340 -0.011 0.000 0.229 87 L C 0.237 177.292 176.870 0.309 0.000 1.137 87 L CA 0.843 55.869 54.840 0.310 0.000 0.901 87 L CB -0.132 42.113 42.059 0.310 0.000 1.098 87 L HN 0.657 nan 8.230 nan 0.000 0.456 88 E N -1.225 119.028 120.200 0.088 0.000 2.308 88 E HA 0.390 4.734 4.350 -0.011 0.000 0.275 88 E C -1.401 175.060 176.600 -0.232 0.000 0.890 88 E CA -0.408 56.023 56.400 0.051 0.000 0.754 88 E CB 1.858 31.575 29.700 0.029 0.000 1.207 88 E HN -0.154 nan 8.360 nan 0.000 0.426 89 F N 2.323 122.387 119.950 0.190 0.000 2.949 89 F HA 0.171 4.691 4.527 -0.011 0.000 0.376 89 F C -0.884 175.012 175.800 0.159 0.000 1.205 89 F CA -0.697 57.407 58.000 0.173 0.000 1.155 89 F CB 0.884 39.981 39.000 0.162 0.000 1.495 89 F HN 0.487 nan 8.300 nan 0.000 0.551 90 Y N 5.078 125.454 120.300 0.127 0.000 2.568 90 Y HA 0.168 4.711 4.550 -0.011 0.000 0.338 90 Y C 1.108 177.031 175.900 0.037 0.000 1.245 90 Y CA -0.870 57.256 58.100 0.044 0.000 1.667 90 Y CB 0.257 38.725 38.460 0.014 0.000 1.568 90 Y HN 0.518 nan 8.280 nan 0.000 0.471 91 M N 1.256 120.984 119.600 0.213 0.000 2.288 91 M HA 0.121 4.594 4.480 -0.011 0.000 0.266 91 M C 1.527 177.795 176.300 -0.053 0.000 1.072 91 M CA 1.087 56.419 55.300 0.053 0.000 1.132 91 M CB -1.204 31.410 32.600 0.024 0.000 1.386 91 M HN 0.636 nan 8.290 nan 0.000 0.432 92 G N 1.163 109.940 108.800 -0.037 0.000 2.642 92 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.231 92 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.231 92 G C -0.469 174.384 174.900 -0.078 0.000 1.338 92 G CA -0.384 44.660 45.100 -0.094 0.000 0.883 92 G HN 0.446 nan 8.290 nan 0.000 0.570 93 R N -0.589 119.853 120.500 -0.096 0.000 2.679 93 R HA 0.532 4.865 4.340 -0.011 0.000 0.269 93 R C 1.623 177.818 176.300 -0.176 0.000 1.076 93 R CA 0.529 56.586 56.100 -0.072 0.000 1.160 93 R CB 0.698 30.961 30.300 -0.061 0.000 1.054 93 R HN 0.897 nan 8.270 nan 0.000 0.507 94 T N -0.077 114.323 114.554 -0.257 0.000 3.043 94 T HA 0.036 4.380 4.350 -0.011 0.000 0.272 94 T C 1.239 175.554 174.700 -0.642 0.000 0.990 94 T CA -0.249 61.513 62.100 -0.563 0.000 0.897 94 T CB 0.183 68.487 68.868 -0.941 0.000 1.111 94 T HN 0.335 nan 8.240 nan 0.000 0.529 95 L N 1.873 122.965 121.223 -0.218 0.000 1.976 95 L HA 0.119 4.452 4.340 -0.011 0.000 0.209 95 L C 2.605 179.447 176.870 -0.047 0.000 1.071 95 L CA 2.289 57.156 54.840 0.044 0.000 0.746 95 L CB -0.977 41.319 42.059 0.396 0.000 0.890 95 L HN 0.389 nan 8.230 nan 0.000 0.432 96 Q N -0.660 119.113 119.800 -0.045 0.000 2.084 96 Q HA -0.267 4.066 4.340 -0.011 0.000 0.202 96 Q C 2.231 178.163 176.000 -0.113 0.000 0.978 96 Q CA 1.964 57.731 55.803 -0.060 0.000 0.844 96 Q CB -0.360 28.341 28.738 -0.062 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.426 97 N N -1.004 117.588 118.700 -0.179 0.000 2.205 97 N HA -0.142 4.591 4.740 -0.011 0.000 0.186 97 N C 1.289 176.694 175.510 -0.176 0.000 1.015 97 N CA 1.740 54.674 53.050 -0.194 0.000 0.862 97 N CB 0.073 38.409 38.487 -0.252 0.000 0.986 97 N HN 0.239 nan 8.380 nan 0.000 0.429 98 T N 1.034 115.453 114.554 -0.225 0.000 2.857 98 T HA 0.002 4.345 4.350 -0.011 0.000 0.266 98 T C 2.059 176.698 174.700 -0.102 0.000 1.048 98 T CA 0.780 62.763 62.100 -0.194 0.000 1.139 98 T CB 0.008 68.718 68.868 -0.264 0.000 0.874 98 T HN 0.244 nan 8.240 nan 0.000 0.455 99 M N 0.577 120.134 119.600 -0.072 0.000 2.086 99 M HA -0.091 4.382 4.480 -0.011 0.000 0.261 99 M C 2.455 178.723 176.300 -0.054 0.000 1.067 99 M CA 1.302 56.574 55.300 -0.047 0.000 1.116 99 M CB -0.593 31.995 32.600 -0.020 0.000 1.348 99 M HN 0.102 nan 8.290 nan 0.000 0.407 100 V N 0.973 120.860 119.914 -0.045 0.000 2.255 100 V HA -0.282 3.831 4.120 -0.011 0.000 0.247 100 V C 1.768 177.872 176.094 0.015 0.000 1.051 100 V CA 1.963 64.261 62.300 -0.003 0.000 1.018 100 V CB -0.897 30.926 31.823 -0.000 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.347 118.353 118.700 -0.001 0.000 2.520 101 N HA -0.053 4.680 4.740 -0.011 0.000 0.185 101 N C 1.062 176.472 175.510 -0.166 0.000 1.068 101 N CA 0.726 53.756 53.050 -0.033 0.000 0.911 101 N CB -0.083 38.395 38.487 -0.015 0.000 0.961 101 N HN 0.289 nan 8.380 nan 0.000 0.446 102 L N -0.414 120.731 121.223 -0.129 0.000 2.693 102 L HA 0.407 4.741 4.340 -0.011 0.000 0.235 102 L C 0.546 177.333 176.870 -0.138 0.000 1.127 102 L CA -0.204 54.558 54.840 -0.129 0.000 0.914 102 L CB -0.639 41.368 42.059 -0.087 0.000 1.193 102 L HN 0.089 nan 8.230 nan 0.000 0.502 103 A N -0.523 122.216 122.820 -0.136 0.000 2.846 103 A HA -0.222 4.091 4.320 -0.011 0.000 0.287 103 A C 1.109 178.636 177.584 -0.095 0.000 1.469 103 A CA 0.981 52.950 52.037 -0.113 0.000 0.757 103 A CB -1.950 16.969 19.000 -0.134 0.000 1.033 103 A HN 0.225 nan 8.150 nan 0.000 0.516 104 L N -0.881 120.286 121.223 -0.094 0.000 2.590 104 L HA 0.234 4.567 4.340 -0.011 0.000 0.227 104 L C 1.886 178.719 176.870 -0.063 0.000 1.099 104 L CA 1.648 56.426 54.840 -0.103 0.000 0.872 104 L CB -0.356 41.618 42.059 -0.142 0.000 1.088 104 L HN 0.627 nan 8.230 nan 0.000 0.479 105 E N -0.132 120.042 120.200 -0.044 0.000 2.086 105 E HA -0.280 4.063 4.350 -0.011 0.000 0.200 105 E C 1.650 178.237 176.600 -0.022 0.000 1.012 105 E CA 1.773 58.159 56.400 -0.024 0.000 0.812 105 E CB 0.226 29.915 29.700 -0.019 0.000 0.743 105 E HN 0.409 nan 8.360 nan 0.000 0.453 106 N N -0.377 118.306 118.700 -0.028 0.000 2.173 106 N HA -0.059 4.674 4.740 -0.011 0.000 0.184 106 N C 1.547 177.040 175.510 -0.029 0.000 1.025 106 N CA 1.244 54.276 53.050 -0.029 0.000 0.852 106 N CB -0.455 38.014 38.487 -0.031 0.000 0.998 106 N HN 0.235 nan 8.380 nan 0.000 0.427 107 A N 0.400 123.201 122.820 -0.033 0.000 1.908 107 A HA -0.167 4.146 4.320 -0.011 0.000 0.218 107 A C 2.646 180.220 177.584 -0.017 0.000 1.181 107 A CA 1.425 53.445 52.037 -0.028 0.000 0.627 107 A CB -1.076 17.899 19.000 -0.043 0.000 0.818 107 A HN 0.441 nan 8.150 nan 0.000 0.445 108 C N -1.009 118.280 119.300 -0.018 0.000 2.440 108 C HA -0.062 4.391 4.460 -0.011 0.000 0.278 108 C C 2.492 177.482 174.990 -0.000 0.000 1.295 108 C CA 1.085 60.103 59.018 0.000 0.000 1.738 108 C CB -1.048 26.701 27.740 0.015 0.000 1.987 108 C HN 0.674 nan 8.230 nan 0.000 0.492 109 D N 0.605 121.005 120.400 -0.001 0.000 2.097 109 D HA -0.138 4.495 4.640 -0.011 0.000 0.195 109 D C 2.126 178.439 176.300 0.021 0.000 0.989 109 D CA 1.519 55.522 54.000 0.006 0.000 0.827 109 D CB -0.268 40.526 40.800 -0.010 0.000 0.966 109 D HN 0.475 nan 8.370 nan 0.000 0.456 110 E N 0.503 120.705 120.200 0.003 0.000 2.031 110 E HA -0.095 4.248 4.350 -0.011 0.000 0.193 110 E C 1.899 178.541 176.600 0.070 0.000 0.994 110 E CA 1.778 58.193 56.400 0.025 0.000 0.800 110 E CB -0.592 29.105 29.700 -0.005 0.000 0.752 110 E HN 0.195 nan 8.360 nan 0.000 0.447 111 A N -0.123 122.706 122.820 0.014 0.000 1.883 111 A HA -0.224 4.090 4.320 -0.011 0.000 0.217 111 A C 2.506 180.027 177.584 -0.104 0.000 1.186 111 A CA 2.966 54.987 52.037 -0.026 0.000 0.624 111 A CB -1.525 17.460 19.000 -0.026 0.000 0.822 111 A HN 0.533 nan 8.150 nan 0.000 0.444 112 T N -3.755 110.723 114.554 -0.126 0.000 2.915 112 T HA -0.195 4.149 4.350 -0.011 0.000 0.269 112 T C 1.790 176.400 174.700 -0.149 0.000 1.071 112 T CA 1.476 63.432 62.100 -0.240 0.000 1.132 112 T CB -0.533 68.228 68.868 -0.179 0.000 0.878 112 T HN 0.497 nan 8.240 nan 0.000 0.479 113 Y N 2.108 122.326 120.300 -0.137 0.000 2.145 113 Y HA -0.071 4.473 4.550 -0.010 0.000 0.286 113 Y C 2.664 178.503 175.900 -0.101 0.000 1.145 113 Y CA 1.519 59.559 58.100 -0.100 0.000 1.148 113 Y CB -0.472 37.948 38.460 -0.066 0.000 0.981 113 Y HN 0.210 nan 8.280 nan 0.000 0.507 114 Q N -0.758 119.001 119.800 -0.068 0.000 2.170 114 Q HA -0.146 4.187 4.340 -0.011 0.000 0.203 114 Q C 1.641 177.523 176.000 -0.197 0.000 0.976 114 Q CA 1.048 56.773 55.803 -0.130 0.000 0.858 114 Q CB -0.122 28.613 28.738 -0.005 0.000 0.907 114 Q HN 0.356 nan 8.270 nan 0.000 0.433 115 L N -0.614 120.475 121.223 -0.224 0.000 2.610 115 L HA 0.093 4.427 4.340 -0.011 0.000 0.232 115 L C 1.129 177.837 176.870 -0.270 0.000 1.149 115 L CA 1.349 56.039 54.840 -0.249 0.000 0.872 115 L CB -0.630 41.189 42.059 -0.399 0.000 0.992 115 L HN 0.359 nan 8.230 nan 0.000 0.447 116 G N -0.332 108.284 108.800 -0.307 0.000 2.160 116 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.244 116 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.244 116 G C 0.098 174.843 174.900 -0.259 0.000 1.022 116 G CA 0.436 45.357 45.100 -0.298 0.000 0.741 116 G HN 0.318 nan 8.290 nan 0.000 0.508 117 L N -0.485 120.582 121.223 -0.261 0.000 2.323 117 L HA 0.641 4.975 4.340 -0.011 0.000 0.265 117 L C -0.480 176.335 176.870 -0.092 0.000 1.012 117 L CA -1.216 53.501 54.840 -0.205 0.000 0.820 117 L CB 1.812 43.689 42.059 -0.304 0.000 1.334 117 L HN 0.056 nan 8.230 nan 0.000 0.427 118 D N 1.674 122.054 120.400 -0.033 0.000 2.396 118 D HA 0.175 4.808 4.640 -0.011 0.000 0.225 118 D C 0.650 176.972 176.300 0.037 0.000 1.121 118 D CA -0.269 53.745 54.000 0.023 0.000 0.853 118 D CB 1.498 42.319 40.800 0.035 0.000 1.043 118 D HN 0.525 nan 8.370 nan 0.000 0.500 119 M N 3.259 122.884 119.600 0.042 0.000 2.106 119 M HA -0.182 4.291 4.480 -0.011 0.000 0.259 119 M C 1.430 177.773 176.300 0.071 0.000 1.068 119 M CA 1.653 56.989 55.300 0.059 0.000 1.100 119 M CB 0.154 32.783 32.600 0.049 0.000 1.351 119 M HN 0.409 nan 8.290 nan 0.000 0.404 120 E N -0.305 119.930 120.200 0.058 0.000 2.110 120 E HA -0.260 4.083 4.350 -0.011 0.000 0.193 120 E C 1.893 178.529 176.600 0.059 0.000 0.988 120 E CA 1.455 57.888 56.400 0.055 0.000 0.804 120 E CB -0.139 29.591 29.700 0.051 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.176 120.413 120.200 0.062 0.000 2.106 121 E HA -0.185 4.159 4.350 -0.011 0.000 0.192 121 E C 1.862 178.504 176.600 0.070 0.000 0.984 121 E CA 0.520 56.956 56.400 0.061 0.000 0.806 121 E CB 0.205 29.941 29.700 0.059 0.000 0.750 121 E HN 0.083 nan 8.360 nan 0.000 0.458 122 L N 1.124 122.409 121.223 0.103 0.000 2.109 122 L HA -0.089 4.244 4.340 -0.011 0.000 0.207 122 L C 2.063 178.995 176.870 0.103 0.000 1.086 122 L CA 1.518 56.453 54.840 0.158 0.000 0.760 122 L CB -0.556 41.650 42.059 0.245 0.000 0.910 122 L HN 0.098 nan 8.230 nan 0.000 0.437 123 E N -0.550 119.703 120.200 0.088 0.000 2.118 123 E HA -0.210 4.134 4.350 -0.011 0.000 0.195 123 E C 1.850 178.415 176.600 -0.057 0.000 0.992 123 E CA 0.952 57.377 56.400 0.041 0.000 0.804 123 E CB 0.074 29.804 29.700 0.050 0.000 0.741 123 E HN 0.355 nan 8.360 nan 0.000 0.458 124 E N 0.069 120.252 120.200 -0.028 0.000 2.401 124 E HA -0.138 4.205 4.350 -0.011 0.000 0.199 124 E C 1.786 178.324 176.600 -0.102 0.000 1.023 124 E CA 0.602 56.983 56.400 -0.031 0.000 0.859 124 E CB 0.020 29.733 29.700 0.021 0.000 0.780 124 E HN 0.424 nan 8.360 nan 0.000 0.523 125 I N 0.737 121.184 120.570 -0.204 0.000 2.876 125 I HA -0.093 4.071 4.170 -0.011 0.000 0.264 125 I C 1.328 177.133 176.117 -0.521 0.000 1.204 125 I CA 0.152 61.266 61.300 -0.310 0.000 1.485 125 I CB 0.153 37.980 38.000 -0.288 0.000 1.103 125 I HN -0.031 nan 8.210 nan 0.000 0.446 126 E N 2.367 122.141 120.200 -0.709 0.000 2.376 126 E HA -0.050 4.294 4.350 -0.011 0.000 0.266 126 E C -0.041 176.463 176.600 -0.161 0.000 1.009 126 E CA -0.169 55.866 56.400 -0.609 0.000 0.902 126 E CB 0.639 30.103 29.700 -0.392 0.000 0.972 126 E HN 0.087 nan 8.360 nan 0.000 0.439 127 E N 2.974 123.175 120.200 0.001 0.000 2.331 127 E HA 0.086 4.429 4.350 -0.011 0.000 0.272 127 E C -1.172 175.540 176.600 0.186 0.000 1.036 127 E CA -0.380 56.108 56.400 0.146 0.000 0.864 127 E CB 0.854 30.724 29.700 0.283 0.000 1.035 127 E HN 0.387 nan 8.360 nan 0.000 0.408 128 D N 1.704 122.186 120.400 0.138 0.000 2.389 128 D HA 0.259 4.892 4.640 -0.011 0.000 0.247 128 D C -0.857 175.474 176.300 0.051 0.000 1.128 128 D CA 0.261 54.309 54.000 0.080 0.000 0.884 128 D CB 0.958 41.786 40.800 0.046 0.000 1.194 128 D HN 0.435 nan 8.370 nan 0.000 0.441 129 A N 2.521 125.318 122.820 -0.038 0.000 2.798 129 A HA 0.470 4.784 4.320 -0.011 0.000 0.316 129 A C 0.945 178.366 177.584 -0.272 0.000 1.506 129 A CA -0.496 51.314 52.037 -0.379 0.000 1.162 129 A CB -0.225 18.649 19.000 -0.210 0.000 1.138 129 A HN 0.539 nan 8.150 nan 0.000 0.532 130 G N 1.816 110.421 108.800 -0.325 0.000 3.581 130 G HA2 0.402 4.355 3.960 -0.011 0.000 0.255 130 G HA3 0.402 4.355 3.960 -0.011 0.000 0.255 130 G C 0.312 175.004 174.900 -0.347 0.000 1.121 130 G CA -0.284 44.723 45.100 -0.155 0.000 1.739 130 G HN 0.684 nan 8.290 nan 0.000 0.646 131 L N 1.458 122.527 121.223 -0.256 0.000 2.939 131 L HA 0.372 4.705 4.340 -0.011 0.000 0.239 131 L C 1.028 177.831 176.870 -0.112 0.000 1.325 131 L CA -0.231 54.549 54.840 -0.101 0.000 1.170 131 L CB -0.380 41.752 42.059 0.121 0.000 1.538 131 L HN 0.323 nan 8.230 nan 0.000 0.452 132 G N -1.263 107.243 108.800 -0.490 0.000 2.660 132 G HA2 0.212 4.165 3.960 -0.011 0.000 0.290 132 G HA3 0.212 4.165 3.960 -0.011 0.000 0.290 132 G C -0.146 174.283 174.900 -0.785 0.000 1.432 132 G CA -0.437 44.341 45.100 -0.537 0.000 0.807 132 G HN -0.074 nan 8.290 nan 0.000 0.485 133 N N -0.846 117.628 118.700 -0.376 0.000 2.436 133 N HA 0.209 4.942 4.740 -0.011 0.000 0.178 133 N C 1.172 176.659 175.510 -0.039 0.000 1.026 133 N CA 1.306 54.229 53.050 -0.212 0.000 0.880 133 N CB 1.192 39.666 38.487 -0.022 0.000 1.061 133 N HN 0.796 nan 8.380 nan 0.000 0.434 134 G N -0.728 108.135 108.800 0.105 0.000 3.074 134 G HA2 0.191 4.145 3.960 -0.011 0.000 0.127 134 G HA3 0.191 4.145 3.960 -0.011 0.000 0.127 134 G C 0.769 175.799 174.900 0.218 0.000 1.216 134 G CA 0.292 45.550 45.100 0.263 0.000 1.390 134 G HN 0.180 nan 8.290 nan 0.000 0.676 135 G N 0.497 109.371 108.800 0.124 0.000 2.476 135 G HA2 -0.124 3.830 3.960 -0.011 0.000 0.218 135 G HA3 -0.124 3.830 3.960 -0.011 0.000 0.218 135 G C 1.896 176.795 174.900 -0.001 0.000 1.164 135 G CA 1.537 46.670 45.100 0.056 0.000 0.768 135 G HN 0.757 nan 8.290 nan 0.000 0.560 136 L N 0.608 121.798 121.223 -0.055 0.000 2.046 136 L HA 0.073 4.407 4.340 -0.011 0.000 0.208 136 L C 2.818 179.623 176.870 -0.108 0.000 1.077 136 L CA 2.038 56.752 54.840 -0.211 0.000 0.747 136 L CB -0.505 41.396 42.059 -0.264 0.000 0.896 136 L HN 0.242 nan 8.230 nan 0.000 0.432 137 G N -1.059 107.740 108.800 -0.002 0.000 2.430 137 G HA2 -0.210 3.743 3.960 -0.011 0.000 0.216 137 G HA3 -0.210 3.743 3.960 -0.011 0.000 0.216 137 G C 1.683 176.662 174.900 0.132 0.000 1.146 137 G CA 0.126 45.250 45.100 0.040 0.000 0.793 137 G HN 0.160 nan 8.290 nan 0.000 0.537 138 R N 0.132 120.735 120.500 0.172 0.000 2.115 138 R HA 0.126 4.459 4.340 -0.011 0.000 0.226 138 R C 2.395 178.715 176.300 0.032 0.000 1.100 138 R CA 0.594 56.774 56.100 0.133 0.000 0.980 138 R CB -0.927 29.421 30.300 0.079 0.000 0.875 138 R HN 0.397 nan 8.270 nan 0.000 0.445 139 L N 0.666 121.842 121.223 -0.079 0.000 2.017 139 L HA -0.074 4.259 4.340 -0.011 0.000 0.208 139 L C 2.192 178.809 176.870 -0.422 0.000 1.073 139 L CA 2.249 56.905 54.840 -0.306 0.000 0.745 139 L CB -0.799 41.036 42.059 -0.372 0.000 0.894 139 L HN 0.183 nan 8.230 nan 0.000 0.432 140 A N -0.596 122.097 122.820 -0.212 0.000 1.940 140 A HA -0.184 4.129 4.320 -0.011 0.000 0.219 140 A C 2.419 180.071 177.584 0.114 0.000 1.176 140 A CA 1.974 53.959 52.037 -0.087 0.000 0.631 140 A CB -1.149 17.788 19.000 -0.106 0.000 0.814 140 A HN 0.590 nan 8.150 nan 0.000 0.446 141 A N -1.459 121.457 122.820 0.161 0.000 1.929 141 A HA -0.099 4.214 4.320 -0.011 0.000 0.216 141 A C 2.273 179.932 177.584 0.124 0.000 1.176 141 A CA 1.512 53.665 52.037 0.193 0.000 0.628 141 A CB -1.101 18.000 19.000 0.169 0.000 0.816 141 A HN 0.581 nan 8.150 nan 0.000 0.444 142 C N -1.568 117.802 119.300 0.116 0.000 2.440 142 C HA -0.001 4.452 4.460 -0.011 0.000 0.278 142 C C 2.387 177.533 174.990 0.259 0.000 1.295 142 C CA 0.456 59.577 59.018 0.172 0.000 1.738 142 C CB -1.506 26.355 27.740 0.203 0.000 1.987 142 C HN 0.613 nan 8.230 nan 0.000 0.492 143 F N 0.474 120.408 119.950 -0.027 0.000 2.134 143 F HA -0.064 4.456 4.527 -0.012 0.000 0.299 143 F C 2.104 177.846 175.800 -0.097 0.000 1.097 143 F CA 1.055 58.988 58.000 -0.112 0.000 1.264 143 F CB -1.320 37.477 39.000 -0.338 0.000 1.001 143 F HN 0.089 nan 8.300 nan 0.000 0.479 144 L N 0.361 121.661 121.223 0.130 0.000 2.042 144 L HA -0.240 4.093 4.340 -0.011 0.000 0.210 144 L C 2.162 179.046 176.870 0.022 0.000 1.076 144 L CA 2.008 56.881 54.840 0.055 0.000 0.749 144 L CB -1.297 40.802 42.059 0.067 0.000 0.893 144 L HN 0.134 nan 8.230 nan 0.000 0.432 145 D N -1.737 118.684 120.400 0.034 0.000 2.117 145 D HA -0.172 4.462 4.640 -0.011 0.000 0.197 145 D C 2.154 178.468 176.300 0.023 0.000 0.987 145 D CA 1.438 55.442 54.000 0.008 0.000 0.829 145 D CB 0.181 40.981 40.800 -0.000 0.000 0.961 145 D HN 0.199 nan 8.370 nan 0.000 0.460 146 S N -0.765 114.966 115.700 0.051 0.000 2.383 146 S HA -0.078 4.385 4.470 -0.011 0.000 0.227 146 S C 1.968 176.578 174.600 0.017 0.000 1.026 146 S CA 0.783 59.007 58.200 0.038 0.000 0.981 146 S CB -0.207 63.025 63.200 0.052 0.000 0.818 146 S HN 0.338 nan 8.310 nan 0.000 0.472 147 M N 0.923 120.525 119.600 0.003 0.000 2.159 147 M HA -0.103 4.370 4.480 -0.011 0.000 0.263 147 M C 2.381 178.680 176.300 -0.002 0.000 1.063 147 M CA 1.378 56.675 55.300 -0.006 0.000 1.110 147 M CB -0.448 32.129 32.600 -0.038 0.000 1.374 147 M HN 0.398 nan 8.290 nan 0.000 0.411 148 A N -0.398 122.420 122.820 -0.003 0.000 1.897 148 A HA -0.106 4.207 4.320 -0.011 0.000 0.215 148 A C 2.149 179.746 177.584 0.021 0.000 1.181 148 A CA 1.908 53.947 52.037 0.003 0.000 0.620 148 A CB -1.022 17.964 19.000 -0.023 0.000 0.821 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 T N 0.327 114.899 114.554 0.030 0.000 2.881 149 T HA 0.006 4.349 4.350 -0.011 0.000 0.270 149 T C 1.281 176.009 174.700 0.047 0.000 1.068 149 T CA 1.033 63.165 62.100 0.053 0.000 1.131 149 T CB -0.266 68.642 68.868 0.068 0.000 0.871 149 T HN 0.324 nan 8.240 nan 0.000 0.479 150 L N 0.528 121.773 121.223 0.037 0.000 2.653 150 L HA 0.300 4.633 4.340 -0.011 0.000 0.231 150 L C 1.491 178.386 176.870 0.041 0.000 1.153 150 L CA -0.198 54.665 54.840 0.038 0.000 0.933 150 L CB -0.439 41.642 42.059 0.037 0.000 1.175 150 L HN 0.362 nan 8.230 nan 0.000 0.473 151 G N 1.460 110.288 108.800 0.046 0.000 2.338 151 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.296 151 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.296 151 G C -0.035 174.897 174.900 0.053 0.000 1.040 151 G CA 0.126 45.267 45.100 0.068 0.000 1.004 151 G HN 0.285 nan 8.290 nan 0.000 0.509 152 L N -0.329 120.898 121.223 0.007 0.000 2.325 152 L HA 0.651 4.985 4.340 -0.011 0.000 0.279 152 L C 1.104 177.838 176.870 -0.226 0.000 1.054 152 L CA -0.610 54.182 54.840 -0.080 0.000 0.804 152 L CB 1.838 43.864 42.059 -0.055 0.000 1.200 152 L HN 0.288 nan 8.230 nan 0.000 0.436 153 A N 2.989 125.533 122.820 -0.461 0.000 2.990 153 A HA 0.574 4.887 4.320 -0.011 0.000 0.282 153 A C 0.227 177.506 177.584 -0.508 0.000 1.688 153 A CA -0.150 51.365 52.037 -0.870 0.000 1.391 153 A CB -0.619 17.781 19.000 -1.000 0.000 1.112 153 A HN 0.678 nan 8.150 nan 0.000 0.588 154 A N 1.553 124.122 122.820 -0.418 0.000 2.355 154 A HA 0.805 5.119 4.320 -0.011 0.000 0.324 154 A C -1.012 176.371 177.584 -0.336 0.000 1.117 154 A CA -0.475 51.378 52.037 -0.308 0.000 0.785 154 A CB 0.823 19.690 19.000 -0.222 0.000 1.254 154 A HN 0.624 nan 8.150 nan 0.000 0.453 155 Y N 0.226 120.512 120.300 -0.023 0.000 2.425 155 Y HA 0.553 5.096 4.550 -0.011 0.000 0.344 155 Y C 0.839 176.840 175.900 0.170 0.000 0.969 155 Y CA -0.622 57.523 58.100 0.075 0.000 1.052 155 Y CB 2.480 41.057 38.460 0.195 0.000 1.215 155 Y HN 0.829 nan 8.280 nan 0.000 0.451 156 G N 1.998 110.889 108.800 0.151 0.000 2.322 156 G HA2 0.458 4.412 3.960 -0.011 0.000 0.309 156 G HA3 0.458 4.412 3.960 -0.011 0.000 0.309 156 G C -1.810 173.120 174.900 0.050 0.000 1.121 156 G CA -0.264 44.954 45.100 0.196 0.000 0.886 156 G HN 0.510 nan 8.290 nan 0.000 0.447 157 Y N 1.069 121.624 120.300 0.424 0.000 2.350 157 Y HA 0.638 5.181 4.550 -0.011 0.000 0.338 157 Y C 0.758 176.995 175.900 0.562 0.000 0.961 157 Y CA 0.218 58.542 58.100 0.373 0.000 1.100 157 Y CB 2.638 41.328 38.460 0.383 0.000 1.179 157 Y HN 0.872 nan 8.280 nan 0.000 0.454 158 G N 2.395 111.558 108.800 0.606 0.000 2.753 158 G HA2 0.563 4.517 3.960 -0.011 0.000 0.303 158 G HA3 0.563 4.517 3.960 -0.011 0.000 0.303 158 G C -1.767 173.408 174.900 0.458 0.000 1.242 158 G CA -0.819 44.653 45.100 0.619 0.000 0.810 158 G HN 0.430 nan 8.290 nan 0.000 0.515 159 I N 0.561 121.285 120.570 0.257 0.000 2.441 159 I HA 0.437 4.601 4.170 -0.011 0.000 0.295 159 I C 0.223 176.242 176.117 -0.162 0.000 0.994 159 I CA -0.731 60.594 61.300 0.041 0.000 1.144 159 I CB 2.163 39.970 38.000 -0.322 0.000 1.314 159 I HN 0.351 nan 8.210 nan 0.000 0.445 160 R N 6.191 126.691 120.500 0.000 0.000 2.593 160 R HA 0.264 4.597 4.340 -0.011 0.000 0.282 160 R C -1.331 175.018 176.300 0.082 0.000 1.300 160 R CA -0.460 55.677 56.100 0.062 0.000 1.221 160 R CB 0.033 30.350 30.300 0.028 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.658 122.127 120.300 0.281 0.000 2.411 161 Y HA -0.022 4.521 4.550 -0.011 0.000 0.333 161 Y C 1.503 177.590 175.900 0.311 0.000 1.186 161 Y CA -0.137 58.116 58.100 0.255 0.000 1.381 161 Y CB 0.942 39.536 38.460 0.223 0.000 1.273 161 Y HN 0.561 nan 8.280 nan 0.000 0.546 162 E N 1.134 121.508 120.200 0.289 0.000 2.435 162 E HA 0.047 4.390 4.350 -0.011 0.000 0.195 162 E C -0.783 175.721 176.600 -0.160 0.000 1.029 162 E CA 0.483 56.870 56.400 -0.022 0.000 0.865 162 E CB 0.115 29.620 29.700 -0.325 0.000 0.833 162 E HN 0.428 nan 8.360 nan 0.000 0.510 163 F N 1.048 121.237 119.950 0.400 0.000 2.499 163 F HA 0.480 5.001 4.527 -0.011 0.000 0.333 163 F C 0.833 176.729 175.800 0.160 0.000 1.138 163 F CA -1.088 57.089 58.000 0.296 0.000 0.945 163 F CB 2.129 41.228 39.000 0.165 0.000 1.181 163 F HN -0.065 nan 8.300 nan 0.000 0.435 164 G N 1.944 110.863 108.800 0.197 0.000 2.582 164 G HA2 0.344 4.297 3.960 -0.011 0.000 0.232 164 G HA3 0.344 4.297 3.960 -0.011 0.000 0.232 164 G C -0.582 174.279 174.900 -0.064 0.000 1.458 164 G CA -0.668 44.386 45.100 -0.075 0.000 1.062 164 G HN 0.511 nan 8.290 nan 0.000 0.566 165 I N 1.124 121.581 120.570 -0.189 0.000 2.683 165 I HA 0.229 4.393 4.170 -0.011 0.000 0.286 165 I C 0.564 176.592 176.117 -0.149 0.000 1.175 165 I CA -1.162 60.003 61.300 -0.225 0.000 1.429 165 I CB -0.304 37.460 38.000 -0.394 0.000 1.371 165 I HN 0.335 nan 8.210 nan 0.000 0.569 166 F N 6.506 126.461 119.950 0.008 0.000 2.626 166 F HA 0.204 4.725 4.527 -0.011 0.000 0.354 166 F C 0.419 176.264 175.800 0.075 0.000 1.168 166 F CA -0.434 57.592 58.000 0.044 0.000 1.368 166 F CB -0.252 38.760 39.000 0.020 0.000 1.092 166 F HN 0.436 nan 8.300 nan 0.000 0.612 167 N N 2.396 121.278 118.700 0.304 0.000 2.444 167 N HA 0.066 4.799 4.740 -0.011 0.000 0.271 167 N C -0.842 174.904 175.510 0.394 0.000 1.069 167 N CA -0.319 52.873 53.050 0.237 0.000 0.965 167 N CB 1.256 39.873 38.487 0.217 0.000 1.092 167 N HN 0.755 nan 8.380 nan 0.000 0.476 168 Q N 2.463 122.461 119.800 0.331 0.000 2.256 168 Q HA 0.199 4.532 4.340 -0.011 0.000 0.254 168 Q C -0.930 175.247 176.000 0.294 0.000 0.916 168 Q CA -0.196 55.850 55.803 0.406 0.000 0.932 168 Q CB 0.787 29.764 28.738 0.399 0.000 1.207 168 Q HN 0.282 nan 8.270 nan 0.000 0.426 169 K N 4.203 124.755 120.400 0.252 0.000 2.316 169 K HA 0.469 4.782 4.320 -0.011 0.000 0.251 169 K C -0.896 175.811 176.600 0.178 0.000 0.934 169 K CA -0.962 55.447 56.287 0.204 0.000 0.802 169 K CB 1.611 34.208 32.500 0.162 0.000 1.171 169 K HN 0.617 nan 8.250 nan 0.000 0.426 170 I N 2.426 123.095 120.570 0.166 0.000 2.328 170 I HA 0.198 4.361 4.170 -0.011 0.000 0.287 170 I C -0.241 175.942 176.117 0.110 0.000 1.012 170 I CA -0.666 60.704 61.300 0.117 0.000 1.195 170 I CB 0.702 38.758 38.000 0.093 0.000 1.350 170 I HN 0.465 nan 8.210 nan 0.000 0.464 171 C N 4.299 123.676 119.300 0.127 0.000 2.281 171 C HA 0.582 5.035 4.460 -0.011 0.000 0.323 171 C C 1.229 176.327 174.990 0.180 0.000 1.270 171 C CA -0.159 58.938 59.018 0.131 0.000 1.559 171 C CB 0.302 28.111 27.740 0.116 0.000 2.239 171 C HN 1.085 nan 8.230 nan 0.000 0.488 172 G N 3.070 111.946 108.800 0.126 0.000 2.283 172 G HA2 0.072 4.025 3.960 -0.011 0.000 0.280 172 G HA3 0.072 4.025 3.960 -0.011 0.000 0.280 172 G C 1.085 176.005 174.900 0.033 0.000 1.029 172 G CA 0.956 46.135 45.100 0.130 0.000 0.840 172 G HN 2.304 nan 8.290 nan 0.000 0.505 173 G N -2.950 105.818 108.800 -0.053 0.000 2.179 173 G HA2 -0.298 3.656 3.960 -0.011 0.000 0.260 173 G HA3 -0.298 3.656 3.960 -0.011 0.000 0.260 173 G C 0.382 175.069 174.900 -0.355 0.000 0.977 173 G CA 0.689 45.639 45.100 -0.249 0.000 0.641 173 G HN 1.199 nan 8.290 nan 0.000 0.533 174 W N 0.736 121.987 121.300 -0.082 0.000 2.516 174 W HA 0.661 5.314 4.660 -0.011 0.000 0.343 174 W C 0.604 177.076 176.519 -0.078 0.000 1.094 174 W CA -0.878 56.412 57.345 -0.091 0.000 1.250 174 W CB 0.856 30.279 29.460 -0.062 0.000 1.308 174 W HN 0.249 nan 8.180 nan 0.000 0.588 175 Q N 2.995 122.904 119.800 0.181 0.000 2.286 175 Q HA 0.296 4.630 4.340 -0.011 0.000 0.257 175 Q C -0.668 175.391 176.000 0.099 0.000 0.941 175 Q CA -0.048 55.827 55.803 0.120 0.000 0.912 175 Q CB 0.644 29.446 28.738 0.107 0.000 1.192 175 Q HN 0.314 nan 8.270 nan 0.000 0.410 176 M N 3.210 122.866 119.600 0.093 0.000 2.311 176 M HA 0.383 4.856 4.480 -0.011 0.000 0.325 176 M C -1.070 175.245 176.300 0.025 0.000 1.061 176 M CA -0.606 54.716 55.300 0.036 0.000 0.957 176 M CB 1.672 34.306 32.600 0.058 0.000 1.646 176 M HN 0.644 nan 8.290 nan 0.000 0.434 177 E N 1.871 122.011 120.200 -0.100 0.000 2.204 177 E HA 0.505 4.848 4.350 -0.011 0.000 0.276 177 E C -0.606 175.982 176.600 -0.020 0.000 0.974 177 E CA -0.534 55.769 56.400 -0.162 0.000 0.815 177 E CB 1.701 31.037 29.700 -0.607 0.000 1.119 177 E HN 0.542 nan 8.360 nan 0.000 0.393 178 E N 1.045 121.312 120.200 0.113 0.000 2.343 178 E HA 0.619 4.962 4.350 -0.011 0.000 0.278 178 E C -1.279 175.404 176.600 0.139 0.000 0.910 178 E CA -1.327 55.128 56.400 0.092 0.000 0.757 178 E CB 1.315 31.076 29.700 0.102 0.000 1.218 178 E HN 0.508 nan 8.360 nan 0.000 0.435 179 A N 2.828 125.682 122.820 0.057 0.000 2.580 179 A HA 0.015 4.329 4.320 -0.011 0.000 0.244 179 A C 0.035 177.769 177.584 0.251 0.000 1.045 179 A CA 0.702 52.771 52.037 0.055 0.000 0.761 179 A CB -0.128 18.765 19.000 -0.178 0.000 0.962 179 A HN 0.677 nan 8.150 nan 0.000 0.512 180 D N 1.946 122.571 120.400 0.375 0.000 2.522 180 D HA 0.182 4.816 4.640 -0.011 0.000 0.218 180 D C -0.445 176.217 176.300 0.603 0.000 1.149 180 D CA -0.223 54.023 54.000 0.411 0.000 0.981 180 D CB 0.336 41.311 40.800 0.292 0.000 1.041 180 D HN 0.364 nan 8.370 nan 0.000 0.518 181 D N 3.810 124.519 120.400 0.515 0.000 2.688 181 D HA -0.021 4.613 4.640 -0.011 0.000 0.228 181 D C 1.077 177.518 176.300 0.234 0.000 1.116 181 D CA -0.530 53.672 54.000 0.336 0.000 1.023 181 D CB -0.166 40.820 40.800 0.310 0.000 1.100 181 D HN 0.579 nan 8.370 nan 0.000 0.487 182 W N 1.808 123.151 121.300 0.071 0.000 2.611 182 W HA -0.048 4.605 4.660 -0.011 0.000 0.251 182 W C 0.206 176.778 176.519 0.088 0.000 1.265 182 W CA 0.075 57.480 57.345 0.100 0.000 1.295 182 W CB -0.832 28.692 29.460 0.106 0.000 1.129 182 W HN 0.184 nan 8.180 nan 0.000 0.630 183 L N 0.740 121.607 121.223 -0.594 0.000 2.607 183 L HA 0.166 4.499 4.340 -0.011 0.000 0.228 183 L C 2.747 179.453 176.870 -0.274 0.000 1.123 183 L CA -0.000 54.476 54.840 -0.606 0.000 0.890 183 L CB -0.663 40.923 42.059 -0.787 0.000 1.103 183 L HN -0.125 nan 8.230 nan 0.000 0.468 184 R N 1.037 121.414 120.500 -0.205 0.000 2.191 184 R HA -0.278 4.056 4.340 -0.011 0.000 0.248 184 R C 1.562 177.649 176.300 -0.356 0.000 1.127 184 R CA 2.570 58.489 56.100 -0.302 0.000 0.943 184 R CB -0.419 29.650 30.300 -0.385 0.000 0.891 184 R HN 0.333 nan 8.270 nan 0.000 0.439 185 Y N -0.736 119.591 120.300 0.044 0.000 2.466 185 Y HA 0.344 4.887 4.550 -0.011 0.000 0.272 185 Y C 0.858 176.787 175.900 0.049 0.000 1.169 185 Y CA 0.300 58.444 58.100 0.075 0.000 1.285 185 Y CB 0.850 39.441 38.460 0.219 0.000 1.078 185 Y HN 0.511 nan 8.280 nan 0.000 0.523 186 G N 1.172 110.045 108.800 0.121 0.000 2.617 186 G HA2 -0.189 3.765 3.960 -0.011 0.000 0.686 186 G HA3 -0.189 3.765 3.960 -0.011 0.000 0.686 186 G C -1.513 173.479 174.900 0.153 0.000 1.214 186 G CA -1.038 44.099 45.100 0.061 0.000 0.796 186 G HN 0.171 nan 8.290 nan 0.000 0.654 187 N N 1.695 120.419 118.700 0.041 0.000 2.564 187 N HA 0.545 5.279 4.740 -0.011 0.000 0.248 187 N C -0.653 174.870 175.510 0.021 0.000 0.986 187 N CA -2.120 50.969 53.050 0.065 0.000 0.921 187 N CB 1.894 40.361 38.487 -0.032 0.000 1.136 187 N HN 0.251 nan 8.380 nan 0.000 0.509 188 P HA 0.007 nan 4.420 nan 0.000 0.230 188 P C 0.539 177.514 177.300 -0.542 0.000 1.158 188 P CA 0.751 63.551 63.100 -0.500 0.000 0.769 188 P CB 0.090 31.222 31.700 -0.947 0.000 0.807 189 W N 1.653 122.971 121.300 0.030 0.000 2.704 189 W HA 0.089 4.742 4.660 -0.011 0.000 0.266 189 W C 1.316 177.889 176.519 0.090 0.000 1.266 189 W CA -0.369 56.991 57.345 0.026 0.000 1.377 189 W CB -0.221 29.252 29.460 0.021 0.000 1.082 189 W HN -0.020 nan 8.180 nan 0.000 0.608 190 E N 1.875 122.264 120.200 0.314 0.000 2.349 190 E HA 0.322 4.665 4.350 -0.011 0.000 0.262 190 E C -0.595 176.186 176.600 0.301 0.000 1.088 190 E CA -0.652 55.942 56.400 0.324 0.000 0.899 190 E CB 1.306 31.197 29.700 0.318 0.000 1.044 190 E HN -0.294 nan 8.360 nan 0.000 0.420 191 K N 1.398 121.985 120.400 0.311 0.000 2.640 191 K HA 0.410 4.723 4.320 -0.011 0.000 0.245 191 K C -1.221 175.395 176.600 0.027 0.000 0.962 191 K CA -0.374 56.019 56.287 0.176 0.000 0.896 191 K CB 1.501 34.097 32.500 0.159 0.000 1.147 191 K HN 0.677 nan 8.250 nan 0.000 0.445 192 A N 4.333 127.077 122.820 -0.126 0.000 2.531 192 A HA 0.313 4.627 4.320 -0.011 0.000 0.236 192 A C -0.389 176.998 177.584 -0.328 0.000 1.062 192 A CA 0.065 51.749 52.037 -0.588 0.000 0.760 192 A CB 0.183 18.822 19.000 -0.602 0.000 0.995 192 A HN 0.753 nan 8.150 nan 0.000 0.501 193 R N 3.365 123.669 120.500 -0.326 0.000 2.547 193 R HA 0.224 4.557 4.340 -0.011 0.000 0.280 193 R C -2.665 173.561 176.300 -0.122 0.000 1.630 193 R CA -1.392 54.615 56.100 -0.154 0.000 1.470 193 R CB 1.389 31.685 30.300 -0.007 0.000 1.178 193 R HN 0.556 nan 8.270 nan 0.000 0.591 194 P HA -0.018 nan 4.420 nan 0.000 0.263 194 P C -0.025 177.219 177.300 -0.094 0.000 1.386 194 P CA 0.583 63.628 63.100 -0.091 0.000 0.797 194 P CB 0.260 31.905 31.700 -0.092 0.000 1.381 195 E N -1.261 118.832 120.200 -0.177 0.000 2.399 195 E HA 0.119 4.462 4.350 -0.011 0.000 0.205 195 E C 0.840 177.313 176.600 -0.211 0.000 0.906 195 E CA 0.092 56.322 56.400 -0.283 0.000 0.998 195 E CB -0.320 29.056 29.700 -0.540 0.000 1.002 195 E HN 0.244 nan 8.360 nan 0.000 0.501 196 F N 2.397 122.362 119.950 0.025 0.000 2.639 196 F HA 0.223 4.743 4.527 -0.011 0.000 0.300 196 F C 0.552 176.442 175.800 0.151 0.000 1.109 196 F CA -0.444 57.603 58.000 0.078 0.000 1.335 196 F CB 0.634 39.678 39.000 0.073 0.000 1.014 196 F HN -0.224 nan 8.300 nan 0.000 0.537 197 T N 2.706 117.409 114.554 0.249 0.000 2.946 197 T HA 0.162 4.506 4.350 -0.011 0.000 0.311 197 T C -0.253 174.575 174.700 0.212 0.000 1.063 197 T CA 0.424 62.673 62.100 0.247 0.000 1.139 197 T CB 0.646 69.608 68.868 0.156 0.000 0.994 197 T HN -0.127 nan 8.240 nan 0.000 0.547 198 L N 5.247 126.579 121.223 0.182 0.000 2.371 198 L HA 0.594 4.927 4.340 -0.011 0.000 0.262 198 L C -2.304 174.559 176.870 -0.011 0.000 1.006 198 L CA -2.512 52.359 54.840 0.053 0.000 0.818 198 L CB 2.138 44.166 42.059 -0.052 0.000 1.354 198 L HN 0.386 nan 8.230 nan 0.000 0.415 199 P HA 0.442 nan 4.420 nan 0.000 0.294 199 P C -1.264 175.931 177.300 -0.175 0.000 1.294 199 P CA -0.482 62.561 63.100 -0.094 0.000 0.827 199 P CB 1.969 33.612 31.700 -0.096 0.000 0.992 200 V N 4.021 123.813 119.914 -0.203 0.000 2.604 200 V HA 0.348 4.461 4.120 -0.011 0.000 0.305 200 V C 0.152 176.029 176.094 -0.363 0.000 1.043 200 V CA -0.611 61.552 62.300 -0.228 0.000 0.888 200 V CB 1.543 33.278 31.823 -0.147 0.000 0.995 200 V HN 0.609 nan 8.190 nan 0.000 0.429 201 H N 3.725 122.609 119.070 -0.310 0.000 2.479 201 H HA 0.630 5.179 4.556 -0.011 0.000 0.335 201 H C -1.354 173.570 175.328 -0.674 0.000 1.142 201 H CA -0.198 55.561 56.048 -0.481 0.000 1.234 201 H CB 1.976 31.227 29.762 -0.852 0.000 1.503 201 H HN 0.467 nan 8.280 nan 0.000 0.510 202 F N -0.012 119.922 119.950 -0.027 0.000 2.599 202 F HA 0.199 4.719 4.527 -0.011 0.000 0.311 202 F C -0.288 175.578 175.800 0.109 0.000 1.076 202 F CA -0.548 57.456 58.000 0.008 0.000 0.937 202 F CB 1.092 40.051 39.000 -0.068 0.000 1.282 202 F HN 0.577 nan 8.300 nan 0.000 0.460 203 Y N 0.301 120.847 120.300 0.410 0.000 2.887 203 Y HA -0.041 4.502 4.550 -0.011 0.000 0.467 203 Y C 1.436 177.542 175.900 0.344 0.000 1.191 203 Y CA 0.730 59.003 58.100 0.288 0.000 2.537 203 Y CB -1.931 36.625 38.460 0.161 0.000 1.225 203 Y HN 1.300 nan 8.280 nan 0.000 0.630 204 G N 0.830 109.858 108.800 0.381 0.000 2.598 204 G HA2 0.079 4.032 3.960 -0.011 0.000 0.244 204 G HA3 0.079 4.032 3.960 -0.011 0.000 0.244 204 G C -0.477 174.615 174.900 0.321 0.000 1.302 204 G CA 1.082 46.332 45.100 0.250 0.000 0.903 204 G HN 1.379 nan 8.290 nan 0.000 0.575 205 R N -2.606 118.084 120.500 0.316 0.000 2.733 205 R HA 0.677 5.010 4.340 -0.011 0.000 0.272 205 R C -1.581 174.848 176.300 0.214 0.000 1.029 205 R CA -0.845 55.390 56.100 0.226 0.000 0.888 205 R CB 1.200 31.579 30.300 0.132 0.000 1.251 205 R HN 0.964 nan 8.270 nan 0.000 0.464 206 V N 1.147 121.103 119.914 0.071 0.000 2.370 206 V HA 0.339 4.452 4.120 -0.011 0.000 0.283 206 V C -0.230 175.796 176.094 -0.115 0.000 1.023 206 V CA -0.563 61.706 62.300 -0.052 0.000 0.857 206 V CB 1.327 33.038 31.823 -0.186 0.000 0.985 206 V HN 0.668 nan 8.190 nan 0.000 0.443 207 E N 3.425 123.553 120.200 -0.120 0.000 2.134 207 E HA 0.348 4.691 4.350 -0.011 0.000 0.278 207 E C -0.829 175.659 176.600 -0.187 0.000 0.959 207 E CA -0.640 55.709 56.400 -0.085 0.000 0.783 207 E CB 0.813 30.505 29.700 -0.013 0.000 1.095 207 E HN 0.638 nan 8.360 nan 0.000 0.399 208 H N 3.009 122.094 119.070 0.024 0.000 2.741 208 H HA 0.116 4.665 4.556 -0.011 0.000 0.282 208 H C 0.428 175.766 175.328 0.016 0.000 1.122 208 H CA -0.116 55.942 56.048 0.016 0.000 1.293 208 H CB 0.481 30.248 29.762 0.009 0.000 1.415 208 H HN 0.564 nan 8.280 nan 0.000 0.472 209 T N -0.730 113.878 114.554 0.090 0.000 2.902 209 T HA 0.139 4.482 4.350 -0.011 0.000 0.287 209 T C 1.645 176.386 174.700 0.067 0.000 1.048 209 T CA -0.343 61.798 62.100 0.068 0.000 0.941 209 T CB 0.655 69.547 68.868 0.039 0.000 1.432 209 T HN 0.347 nan 8.240 nan 0.000 0.586 210 S N 0.012 115.739 115.700 0.046 0.000 2.370 210 S HA -0.092 4.372 4.470 -0.011 0.000 0.226 210 S C 1.196 175.818 174.600 0.036 0.000 1.033 210 S CA 0.964 59.186 58.200 0.037 0.000 1.011 210 S CB -0.479 62.738 63.200 0.029 0.000 0.852 210 S HN 0.677 nan 8.310 nan 0.000 0.457 211 Q N 0.655 120.477 119.800 0.035 0.000 2.656 211 Q HA 0.565 4.899 4.340 -0.011 0.000 0.389 211 Q C 0.006 176.028 176.000 0.036 0.000 0.883 211 Q CA 0.301 56.124 55.803 0.033 0.000 1.056 211 Q CB 0.675 29.429 28.738 0.026 0.000 1.391 211 Q HN 0.583 nan 8.270 nan 0.000 0.399 212 G N -0.309 108.522 108.800 0.051 0.000 2.440 212 G HA2 0.277 4.230 3.960 -0.011 0.000 0.684 212 G HA3 0.277 4.230 3.960 -0.011 0.000 0.684 212 G C -1.059 173.870 174.900 0.048 0.000 1.309 212 G CA -0.599 44.534 45.100 0.055 0.000 0.931 212 G HN 0.470 nan 8.290 nan 0.000 0.612 213 A N 0.257 123.092 122.820 0.026 0.000 2.302 213 A HA 0.826 5.139 4.320 -0.011 0.000 0.285 213 A C 0.365 177.902 177.584 -0.078 0.000 1.105 213 A CA 0.042 52.020 52.037 -0.098 0.000 0.816 213 A CB 0.876 19.779 19.000 -0.162 0.000 1.067 213 A HN 0.775 nan 8.150 nan 0.000 0.489 214 K N 0.564 120.905 120.400 -0.097 0.000 2.443 214 K HA 0.207 4.520 4.320 -0.011 0.000 0.252 214 K C -1.816 174.818 176.600 0.056 0.000 0.933 214 K CA -0.392 55.886 56.287 -0.015 0.000 0.792 214 K CB 1.895 34.391 32.500 -0.008 0.000 1.185 214 K HN 0.728 nan 8.250 nan 0.000 0.425 215 W N 5.044 126.259 121.300 -0.142 0.000 2.342 215 W HA 0.366 5.019 4.660 -0.011 0.000 0.310 215 W C -1.047 175.404 176.519 -0.113 0.000 1.128 215 W CA -0.636 56.628 57.345 -0.135 0.000 1.322 215 W CB 0.430 29.795 29.460 -0.158 0.000 1.251 215 W HN 0.183 nan 8.180 nan 0.000 0.439 216 V N 6.495 126.496 119.914 0.144 0.000 3.046 216 V HA 0.343 4.457 4.120 -0.011 0.000 0.316 216 V C -0.428 175.645 176.094 -0.035 0.000 1.104 216 V CA -0.574 61.722 62.300 -0.007 0.000 1.006 216 V CB 2.084 33.926 31.823 0.032 0.000 1.058 216 V HN 0.459 nan 8.190 nan 0.000 0.440 217 D N 1.392 121.761 120.400 -0.051 0.000 2.689 217 D HA -0.130 4.504 4.640 -0.011 0.000 0.237 217 D C 0.409 176.661 176.300 -0.079 0.000 1.148 217 D CA 1.367 55.336 54.000 -0.051 0.000 0.656 217 D CB -1.235 39.562 40.800 -0.004 0.000 1.050 217 D HN 0.845 nan 8.370 nan 0.000 0.426 218 T N -3.087 111.377 114.554 -0.150 0.000 2.918 218 T HA 0.394 4.737 4.350 -0.011 0.000 0.283 218 T C 0.244 174.908 174.700 -0.061 0.000 1.001 218 T CA -0.882 61.130 62.100 -0.146 0.000 1.041 218 T CB 2.641 71.259 68.868 -0.418 0.000 1.028 218 T HN 0.200 nan 8.240 nan 0.000 0.511 219 Q N 1.284 121.114 119.800 0.050 0.000 2.256 219 Q HA 0.495 4.829 4.340 -0.011 0.000 0.254 219 Q C -1.421 174.617 176.000 0.064 0.000 0.916 219 Q CA -0.786 55.046 55.803 0.049 0.000 0.932 219 Q CB 1.170 30.013 28.738 0.176 0.000 1.207 219 Q HN 0.624 nan 8.270 nan 0.000 0.426 220 V N 4.521 124.430 119.914 -0.008 0.000 2.435 220 V HA 0.437 4.551 4.120 -0.011 0.000 0.290 220 V C -0.366 175.764 176.094 0.060 0.000 1.030 220 V CA -0.586 61.668 62.300 -0.077 0.000 0.881 220 V CB 1.714 33.444 31.823 -0.154 0.000 0.983 220 V HN 0.636 nan 8.190 nan 0.000 0.445 221 V N 5.950 125.935 119.914 0.119 0.000 2.656 221 V HA 0.512 4.625 4.120 -0.011 0.000 0.307 221 V C -0.238 175.969 176.094 0.188 0.000 1.051 221 V CA -0.643 61.777 62.300 0.200 0.000 0.893 221 V CB 2.000 34.025 31.823 0.335 0.000 0.999 221 V HN 0.632 nan 8.190 nan 0.000 0.426 222 L N 3.224 124.564 121.223 0.195 0.000 2.357 222 L HA 0.820 5.154 4.340 -0.011 0.000 0.273 222 L C 0.329 177.404 176.870 0.343 0.000 1.080 222 L CA -0.511 54.446 54.840 0.195 0.000 0.803 222 L CB 1.498 43.650 42.059 0.156 0.000 1.174 222 L HN 0.745 nan 8.230 nan 0.000 0.443 223 A N 4.191 127.173 122.820 0.270 0.000 2.285 223 A HA 0.617 4.930 4.320 -0.011 0.000 0.310 223 A C -0.584 177.316 177.584 0.526 0.000 1.266 223 A CA -0.455 51.799 52.037 0.361 0.000 0.832 223 A CB 1.035 19.844 19.000 -0.319 0.000 1.163 223 A HN 0.783 nan 8.150 nan 0.000 0.499 224 M N 5.763 125.706 119.600 0.572 0.000 2.129 224 M HA 0.506 4.979 4.480 -0.011 0.000 0.348 224 M C -2.630 173.925 176.300 0.426 0.000 1.116 224 M CA -2.033 53.527 55.300 0.434 0.000 1.022 224 M CB 2.021 34.809 32.600 0.313 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.294 nan 4.420 nan 0.000 0.288 225 P C -1.957 175.267 177.300 -0.127 0.000 1.267 225 P CA -0.046 62.912 63.100 -0.237 0.000 0.815 225 P CB 0.550 31.879 31.700 -0.618 0.000 0.989 226 Y N 0.471 120.681 120.300 -0.151 0.000 2.361 226 Y HA 0.338 4.881 4.550 -0.011 0.000 0.337 226 Y C 0.063 175.945 175.900 -0.030 0.000 0.965 226 Y CA -0.334 57.749 58.100 -0.029 0.000 1.091 226 Y CB 1.498 39.977 38.460 0.032 0.000 1.182 226 Y HN 0.221 nan 8.280 nan 0.000 0.450 227 D N 1.980 122.486 120.400 0.176 0.000 2.193 227 D HA 0.398 5.031 4.640 -0.011 0.000 0.244 227 D C -0.617 175.946 176.300 0.438 0.000 1.064 227 D CA -0.190 53.961 54.000 0.251 0.000 0.845 227 D CB 1.730 42.672 40.800 0.236 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 3.320 118.050 114.554 0.292 0.000 2.807 228 T HA 0.470 4.813 4.350 -0.011 0.000 0.279 228 T C -2.499 172.102 174.700 -0.166 0.000 0.993 228 T CA -1.507 60.669 62.100 0.127 0.000 0.970 228 T CB 2.004 70.912 68.868 0.067 0.000 0.950 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.293 nan 4.420 nan 0.000 0.276 229 P C -0.961 176.000 177.300 -0.564 0.000 1.230 229 P CA -0.372 62.024 63.100 -1.173 0.000 0.776 229 P CB 0.803 31.552 31.700 -1.585 0.000 0.888 230 V N 5.434 125.083 119.914 -0.441 0.000 2.276 230 V HA 0.237 4.350 4.120 -0.011 0.000 0.268 230 V C -2.042 173.916 176.094 -0.227 0.000 1.032 230 V CA -1.894 60.245 62.300 -0.268 0.000 0.810 230 V CB 1.230 32.950 31.823 -0.172 0.000 1.060 230 V HN 0.543 nan 8.190 nan 0.000 0.446 231 P HA 0.229 nan 4.420 nan 0.000 0.276 231 P C 0.425 177.670 177.300 -0.091 0.000 1.235 231 P CA 0.406 63.410 63.100 -0.160 0.000 0.772 231 P CB 1.522 33.123 31.700 -0.166 0.000 0.871 232 G N 2.369 111.135 108.800 -0.058 0.000 2.599 232 G HA2 0.132 4.085 3.960 -0.011 0.000 0.264 232 G HA3 0.132 4.085 3.960 -0.011 0.000 0.264 232 G C -1.159 173.753 174.900 0.020 0.000 1.200 232 G CA -0.583 44.514 45.100 -0.006 0.000 0.896 232 G HN 0.523 nan 8.290 nan 0.000 0.536 233 Y N 0.583 120.844 120.300 -0.065 0.000 2.624 233 Y HA 0.281 4.824 4.550 -0.012 0.000 0.354 233 Y C 1.191 177.054 175.900 -0.062 0.000 1.051 233 Y CA -0.255 57.803 58.100 -0.071 0.000 1.377 233 Y CB 0.085 38.502 38.460 -0.072 0.000 1.168 233 Y HN 0.705 nan 8.280 nan 0.000 0.525 234 R N 2.968 123.140 120.500 -0.546 0.000 3.516 234 R HA -0.312 4.021 4.340 -0.011 0.000 0.271 234 R C -0.105 176.051 176.300 -0.241 0.000 1.098 234 R CA 1.465 57.275 56.100 -0.484 0.000 0.732 234 R CB -1.909 27.922 30.300 -0.782 0.000 1.152 234 R HN 0.958 nan 8.270 nan 0.000 0.455 235 N N -1.633 116.981 118.700 -0.142 0.000 2.160 235 N HA 0.080 4.813 4.740 -0.011 0.000 0.226 235 N C -0.287 175.179 175.510 -0.073 0.000 1.256 235 N CA -0.403 52.598 53.050 -0.082 0.000 0.890 235 N CB 0.580 39.045 38.487 -0.037 0.000 1.116 235 N HN 0.091 nan 8.380 nan 0.000 0.517 236 N N -0.138 118.513 118.700 -0.081 0.000 2.782 236 N HA -0.127 4.607 4.740 -0.011 0.000 0.251 236 N C -1.164 174.308 175.510 -0.063 0.000 1.101 236 N CA 0.551 53.561 53.050 -0.066 0.000 0.764 236 N CB -1.337 37.112 38.487 -0.063 0.000 1.122 236 N HN 0.208 nan 8.380 nan 0.000 0.561 237 V N 0.961 120.842 119.914 -0.056 0.000 2.427 237 V HA 0.534 4.648 4.120 -0.011 0.000 0.286 237 V C 0.409 176.474 176.094 -0.048 0.000 1.034 237 V CA -0.602 61.673 62.300 -0.042 0.000 0.893 237 V CB 2.296 34.117 31.823 -0.002 0.000 0.982 237 V HN -0.038 nan 8.190 nan 0.000 0.452 238 V N 5.264 125.154 119.914 -0.040 0.000 2.419 238 V HA 0.463 4.576 4.120 -0.011 0.000 0.287 238 V C -0.156 175.930 176.094 -0.014 0.000 1.017 238 V CA -0.840 61.405 62.300 -0.092 0.000 0.844 238 V CB 1.531 33.272 31.823 -0.137 0.000 1.011 238 V HN 0.827 nan 8.190 nan 0.000 0.429 239 N N 1.916 120.582 118.700 -0.056 0.000 2.448 239 N HA 0.600 5.333 4.740 -0.011 0.000 0.274 239 N C -0.077 175.446 175.510 0.020 0.000 1.239 239 N CA -0.305 52.741 53.050 -0.006 0.000 0.982 239 N CB 1.351 39.800 38.487 -0.065 0.000 1.199 239 N HN 0.604 nan 8.380 nan 0.000 0.576 240 T N 0.706 115.281 114.554 0.034 0.000 2.863 240 T HA 0.433 4.776 4.350 -0.011 0.000 0.285 240 T C -0.323 174.378 174.700 0.003 0.000 1.009 240 T CA -0.523 61.674 62.100 0.161 0.000 0.989 240 T CB 1.167 70.240 68.868 0.341 0.000 1.004 240 T HN 0.319 nan 8.240 nan 0.000 0.455 241 M N 3.578 123.153 119.600 -0.043 0.000 2.072 241 M HA 0.508 4.982 4.480 -0.011 0.000 0.331 241 M C -0.568 175.619 176.300 -0.188 0.000 1.004 241 M CA -0.760 54.419 55.300 -0.202 0.000 0.952 241 M CB 0.793 33.219 32.600 -0.291 0.000 1.511 241 M HN 0.487 nan 8.290 nan 0.000 0.422 242 R N 4.709 125.001 120.500 -0.347 0.000 2.229 242 R HA 0.549 4.883 4.340 -0.011 0.000 0.332 242 R C -1.942 174.118 176.300 -0.401 0.000 0.989 242 R CA -0.554 55.295 56.100 -0.418 0.000 0.842 242 R CB 0.844 30.729 30.300 -0.691 0.000 1.119 242 R HN 0.643 nan 8.270 nan 0.000 0.456 243 L N 5.633 126.703 121.223 -0.255 0.000 2.313 243 L HA 0.460 4.794 4.340 -0.011 0.000 0.283 243 L C -1.035 175.784 176.870 -0.086 0.000 1.013 243 L CA -0.563 54.217 54.840 -0.100 0.000 0.816 243 L CB 1.168 43.251 42.059 0.040 0.000 1.236 243 L HN 0.624 nan 8.230 nan 0.000 0.419 244 W N 2.345 123.776 121.300 0.219 0.000 2.315 244 W HA 0.589 5.242 4.660 -0.011 0.000 0.316 244 W C 0.590 177.338 176.519 0.383 0.000 1.211 244 W CA -0.203 57.301 57.345 0.265 0.000 1.201 244 W CB 1.345 30.847 29.460 0.069 0.000 1.184 244 W HN 0.411 nan 8.180 nan 0.000 0.544 245 S N 1.626 117.734 115.700 0.680 0.000 2.482 245 S HA 0.770 5.233 4.470 -0.011 0.000 0.303 245 S C -0.447 174.498 174.600 0.575 0.000 1.091 245 S CA -0.719 57.777 58.200 0.494 0.000 1.057 245 S CB 0.682 64.111 63.200 0.381 0.000 1.031 245 S HN 0.507 nan 8.310 nan 0.000 0.485 246 A N 4.534 127.529 122.820 0.292 0.000 2.328 246 A HA 0.666 4.980 4.320 -0.011 0.000 0.284 246 A C -0.165 177.519 177.584 0.167 0.000 1.160 246 A CA -0.296 51.830 52.037 0.149 0.000 0.818 246 A CB 0.393 19.226 19.000 -0.278 0.000 1.087 246 A HN 0.615 nan 8.150 nan 0.000 0.504 247 K N 1.147 121.667 120.400 0.201 0.000 2.427 247 K HA 0.607 4.920 4.320 -0.011 0.000 0.252 247 K C -0.609 176.067 176.600 0.127 0.000 0.931 247 K CA -0.406 55.974 56.287 0.154 0.000 0.793 247 K CB 2.202 34.807 32.500 0.174 0.000 1.211 247 K HN 0.840 nan 8.250 nan 0.000 0.426 248 A N 4.514 127.390 122.820 0.093 0.000 2.354 248 A HA 0.500 4.813 4.320 -0.011 0.000 0.269 248 A C -2.172 175.463 177.584 0.085 0.000 1.109 248 A CA -1.146 50.941 52.037 0.083 0.000 0.800 248 A CB -0.134 18.903 19.000 0.061 0.000 1.045 248 A HN 0.342 nan 8.150 nan 0.000 0.489 249 P HA 0.141 nan 4.420 nan 0.000 0.272 249 P C -0.266 177.081 177.300 0.079 0.000 1.230 249 P CA -0.247 62.905 63.100 0.087 0.000 0.788 249 P CB 0.534 32.295 31.700 0.102 0.000 0.949 250 N N 0.017 118.755 118.700 0.063 0.000 2.422 250 N HA -0.082 4.651 4.740 -0.011 0.000 0.181 250 N C 1.156 176.695 175.510 0.049 0.000 1.080 250 N CA 0.079 53.161 53.050 0.053 0.000 0.893 250 N CB -0.068 38.446 38.487 0.044 0.000 0.973 250 N HN 0.586 nan 8.380 nan 0.000 0.456 251 D N 1.183 121.610 120.400 0.045 0.000 1.992 251 D HA -0.131 4.503 4.640 -0.011 0.000 0.280 251 D C 1.446 177.772 176.300 0.043 0.000 1.060 251 D CA 0.405 54.406 54.000 0.000 0.000 0.877 251 D CB -0.916 39.852 40.800 -0.054 0.000 1.010 251 D HN 0.080 nan 8.370 nan 0.000 0.385 252 F N 0.720 120.689 119.950 0.032 0.000 2.135 252 F HA -0.234 4.286 4.527 -0.011 0.000 0.300 252 F C 1.601 177.426 175.800 0.041 0.000 1.074 252 F CA 1.345 59.369 58.000 0.041 0.000 1.262 252 F CB -0.444 38.579 39.000 0.038 0.000 1.013 252 F HN 0.068 nan 8.300 nan 0.000 0.489 253 N N 0.658 119.493 118.700 0.225 0.000 3.115 253 N HA 0.056 4.789 4.740 -0.011 0.000 0.305 253 N C 0.587 176.152 175.510 0.092 0.000 1.305 253 N CA 0.115 53.244 53.050 0.132 0.000 1.154 253 N CB 0.040 38.583 38.487 0.093 0.000 1.454 253 N HN 0.140 nan 8.380 nan 0.000 0.551 254 L N -0.797 120.495 121.223 0.115 0.000 1.433 254 L HA -0.105 4.228 4.340 -0.011 0.000 0.146 254 L C 1.334 178.271 176.870 0.112 0.000 1.334 254 L CA 0.841 55.735 54.840 0.091 0.000 1.267 254 L CB -0.948 41.154 42.059 0.073 0.000 2.547 254 L HN 0.257 nan 8.230 nan 0.000 0.476 255 K N 0.301 120.746 120.400 0.074 0.000 2.366 255 K HA -0.036 4.277 4.320 -0.011 0.000 0.198 255 K C 0.490 177.141 176.600 0.085 0.000 1.044 255 K CA 1.023 57.302 56.287 -0.012 0.000 0.973 255 K CB -0.032 32.336 32.500 -0.220 0.000 0.767 255 K HN 0.147 nan 8.250 nan 0.000 0.475 256 D N 2.145 122.715 120.400 0.283 0.000 2.441 256 D HA -0.021 4.612 4.640 -0.011 0.000 0.243 256 D C -0.181 176.347 176.300 0.380 0.000 1.257 256 D CA -0.154 54.113 54.000 0.446 0.000 1.027 256 D CB -0.121 40.961 40.800 0.469 0.000 1.084 256 D HN 0.194 nan 8.370 nan 0.000 0.514 257 F N 1.354 121.351 119.950 0.078 0.000 2.331 257 F HA 0.311 4.831 4.527 -0.011 0.000 0.293 257 F C 0.564 176.396 175.800 0.053 0.000 1.277 257 F CA -1.915 56.118 58.000 0.055 0.000 1.204 257 F CB -0.333 38.686 39.000 0.032 0.000 1.374 257 F HN 0.346 nan 8.300 nan 0.000 0.520 258 N N -0.551 118.021 118.700 -0.212 0.000 3.535 258 N HA 0.064 4.797 4.740 -0.011 0.000 0.261 258 N C -1.649 173.796 175.510 -0.108 0.000 1.045 258 N CA 0.490 53.354 53.050 -0.308 0.000 0.674 258 N CB -0.935 37.230 38.487 -0.538 0.000 1.194 258 N HN 0.840 nan 8.380 nan 0.000 0.596 259 V N -1.551 118.349 119.914 -0.023 0.000 3.648 259 V HA -0.038 4.076 4.120 -0.011 0.000 0.521 259 V C 1.372 177.474 176.094 0.013 0.000 0.682 259 V CA 1.607 63.909 62.300 0.004 0.000 2.077 259 V CB -0.886 30.929 31.823 -0.014 0.000 2.491 259 V HN 1.034 nan 8.190 nan 0.000 0.514 260 G N 0.780 109.596 108.800 0.027 0.000 3.617 260 G HA2 0.656 4.609 3.960 -0.011 0.000 0.217 260 G HA3 0.656 4.609 3.960 -0.011 0.000 0.217 260 G C 0.968 175.888 174.900 0.033 0.000 0.967 260 G CA 1.169 46.283 45.100 0.024 0.000 0.878 260 G HN 3.058 nan 8.290 nan 0.000 0.439 261 G N -1.047 107.788 108.800 0.057 0.000 3.055 261 G HA2 0.261 4.214 3.960 -0.011 0.000 0.685 261 G HA3 0.261 4.214 3.960 -0.011 0.000 0.685 261 G C -0.082 174.874 174.900 0.094 0.000 1.212 261 G CA 0.207 45.352 45.100 0.074 0.000 0.822 261 G HN 1.456 nan 8.290 nan 0.000 0.610 262 Y N 3.333 123.649 120.300 0.028 0.000 2.184 262 Y HA 0.022 4.566 4.550 -0.011 0.000 0.290 262 Y C 2.526 178.441 175.900 0.026 0.000 1.129 262 Y CA 2.123 60.240 58.100 0.030 0.000 1.144 262 Y CB -0.012 38.463 38.460 0.026 0.000 0.995 262 Y HN 0.491 nan 8.280 nan 0.000 0.513 263 I N 0.650 121.159 120.570 -0.101 0.000 2.127 263 I HA -0.310 3.853 4.170 -0.011 0.000 0.241 263 I C 2.406 178.419 176.117 -0.174 0.000 1.075 263 I CA 1.502 62.697 61.300 -0.175 0.000 1.334 263 I CB -1.382 36.627 38.000 0.016 0.000 1.040 263 I HN 0.368 nan 8.210 nan 0.000 0.405 264 Q N 0.597 120.346 119.800 -0.084 0.000 2.096 264 Q HA -0.166 4.168 4.340 -0.011 0.000 0.204 264 Q C 2.358 178.309 176.000 -0.081 0.000 0.982 264 Q CA 2.085 57.852 55.803 -0.060 0.000 0.850 264 Q CB -0.414 28.311 28.738 -0.022 0.000 0.901 264 Q HN 0.554 nan 8.270 nan 0.000 0.422 265 A N -0.242 122.517 122.820 -0.102 0.000 1.908 265 A HA -0.145 4.169 4.320 -0.011 0.000 0.218 265 A C 2.400 179.910 177.584 -0.123 0.000 1.181 265 A CA 1.728 53.714 52.037 -0.086 0.000 0.627 265 A CB -0.630 18.333 19.000 -0.063 0.000 0.818 265 A HN 0.242 nan 8.150 nan 0.000 0.445 266 V N 0.021 119.793 119.914 -0.236 0.000 2.379 266 V HA -0.196 3.917 4.120 -0.011 0.000 0.245 266 V C 2.490 178.520 176.094 -0.107 0.000 1.044 266 V CA 1.732 63.910 62.300 -0.203 0.000 1.036 266 V CB -0.645 30.976 31.823 -0.336 0.000 0.664 266 V HN 0.569 nan 8.190 nan 0.000 0.453 267 L N -0.290 120.874 121.223 -0.098 0.000 2.201 267 L HA -0.130 4.204 4.340 -0.011 0.000 0.212 267 L C 1.953 178.804 176.870 -0.032 0.000 1.105 267 L CA 1.153 55.962 54.840 -0.051 0.000 0.775 267 L CB -0.615 41.418 42.059 -0.042 0.000 0.913 267 L HN 0.321 nan 8.230 nan 0.000 0.440 268 D N 0.009 120.387 120.400 -0.036 0.000 2.371 268 D HA -0.067 4.566 4.640 -0.011 0.000 0.221 268 D C 2.141 178.435 176.300 -0.009 0.000 0.986 268 D CA 0.442 54.430 54.000 -0.019 0.000 0.899 268 D CB 0.056 40.846 40.800 -0.018 0.000 0.902 268 D HN 0.210 nan 8.370 nan 0.000 0.530 269 R N 0.404 120.899 120.500 -0.010 0.000 2.120 269 R HA 0.001 4.334 4.340 -0.011 0.000 0.234 269 R C 0.361 176.667 176.300 0.011 0.000 1.123 269 R CA 0.551 56.655 56.100 0.006 0.000 0.975 269 R CB -0.072 30.232 30.300 0.007 0.000 0.866 269 R HN 0.074 nan 8.270 nan 0.000 0.446 270 N N 1.115 119.819 118.700 0.008 0.000 2.971 270 N HA 0.014 4.747 4.740 -0.011 0.000 0.294 270 N C 0.064 175.579 175.510 0.008 0.000 1.210 270 N CA 0.489 53.548 53.050 0.014 0.000 1.157 270 N CB 1.123 39.621 38.487 0.018 0.000 1.450 270 N HN 0.115 nan 8.380 nan 0.000 0.527 271 L N -0.335 120.888 121.223 0.002 0.000 2.726 271 L HA 0.196 4.529 4.340 -0.011 0.000 0.287 271 L C 1.634 178.490 176.870 -0.023 0.000 1.047 271 L CA 0.452 55.288 54.840 -0.007 0.000 1.304 271 L CB -0.355 41.700 42.059 -0.008 0.000 2.440 271 L HN 0.253 nan 8.230 nan 0.000 0.569 272 A N -0.683 122.126 122.820 -0.017 0.000 2.030 272 A HA 0.083 4.396 4.320 -0.011 0.000 0.215 272 A C 1.645 179.198 177.584 -0.052 0.000 1.164 272 A CA 0.955 52.971 52.037 -0.034 0.000 0.697 272 A CB -0.155 18.853 19.000 0.012 0.000 0.827 272 A HN 0.435 nan 8.150 nan 0.000 0.457 273 E N 0.103 120.292 120.200 -0.019 0.000 2.489 273 E HA -0.007 4.337 4.350 -0.011 0.000 0.193 273 E C 0.729 177.322 176.600 -0.011 0.000 1.057 273 E CA -0.157 56.236 56.400 -0.012 0.000 0.866 273 E CB -0.010 29.708 29.700 0.029 0.000 0.916 273 E HN 0.384 nan 8.360 nan 0.000 0.500 274 N N 0.929 119.621 118.700 -0.013 0.000 2.459 274 N HA -0.016 4.717 4.740 -0.011 0.000 0.181 274 N C 1.525 177.039 175.510 0.007 0.000 1.046 274 N CA 0.460 53.521 53.050 0.018 0.000 0.904 274 N CB 0.086 38.582 38.487 0.016 0.000 0.964 274 N HN 0.243 nan 8.380 nan 0.000 0.444 275 I N 0.203 120.721 120.570 -0.087 0.000 2.264 275 I HA -0.236 3.927 4.170 -0.011 0.000 0.248 275 I C 1.329 177.407 176.117 -0.064 0.000 1.111 275 I CA 1.203 62.415 61.300 -0.146 0.000 1.382 275 I CB -0.095 37.656 38.000 -0.415 0.000 1.060 275 I HN 0.129 nan 8.210 nan 0.000 0.418 276 S N -0.715 114.951 115.700 -0.056 0.000 2.575 276 S HA 0.184 4.647 4.470 -0.011 0.000 0.237 276 S C 1.447 176.185 174.600 0.229 0.000 0.975 276 S CA -0.599 57.651 58.200 0.082 0.000 0.960 276 S CB 0.269 63.489 63.200 0.033 0.000 0.822 276 S HN 0.213 nan 8.310 nan 0.000 0.472 277 R N 1.218 121.854 120.500 0.226 0.000 2.062 277 R HA 0.263 4.597 4.340 -0.011 0.000 0.229 277 R C 0.470 177.023 176.300 0.423 0.000 1.128 277 R CA 1.271 57.547 56.100 0.293 0.000 0.960 277 R CB -0.208 30.233 30.300 0.235 0.000 0.855 277 R HN 0.397 nan 8.270 nan 0.000 0.432 278 V N 0.239 120.353 119.914 0.333 0.000 2.971 278 V HA 0.402 4.515 4.120 -0.011 0.000 0.309 278 V C -1.540 174.513 176.094 -0.069 0.000 1.130 278 V CA -1.349 61.069 62.300 0.197 0.000 0.964 278 V CB 1.828 33.693 31.823 0.068 0.000 1.029 278 V HN 0.185 nan 8.190 nan 0.000 0.427 279 L N 5.834 126.810 121.223 -0.413 0.000 2.371 279 L HA 0.543 4.876 4.340 -0.011 0.000 0.272 279 L C -1.004 175.704 176.870 -0.270 0.000 1.124 279 L CA 0.259 54.669 54.840 -0.717 0.000 0.816 279 L CB 0.914 42.434 42.059 -0.900 0.000 1.129 279 L HN 0.696 nan 8.230 nan 0.000 0.448 280 Y N 6.087 126.299 120.300 -0.145 0.000 2.496 280 Y HA 0.242 4.785 4.550 -0.011 0.000 0.334 280 Y C -1.414 174.478 175.900 -0.013 0.000 1.080 280 Y CA -1.396 56.689 58.100 -0.025 0.000 1.355 280 Y CB 0.486 38.958 38.460 0.020 0.000 1.193 280 Y HN 0.562 nan 8.280 nan 0.000 0.523 281 P HA -0.023 nan 4.420 nan 0.000 0.259 281 P C -0.838 176.582 177.300 0.200 0.000 1.480 281 P CA 0.267 63.464 63.100 0.162 0.000 0.842 281 P CB 0.032 31.913 31.700 0.303 0.000 1.513 282 N N 1.315 120.146 118.700 0.219 0.000 2.434 282 N HA 0.165 4.899 4.740 -0.011 0.000 0.272 282 N C -0.644 175.016 175.510 0.251 0.000 1.040 282 N CA 0.098 53.299 53.050 0.253 0.000 0.956 282 N CB 0.960 39.639 38.487 0.321 0.000 1.108 282 N HN 0.063 nan 8.380 nan 0.000 0.481 283 D N 0.972 121.552 120.400 0.300 0.000 2.344 283 D HA 0.231 4.864 4.640 -0.011 0.000 0.239 283 D C -0.265 176.335 176.300 0.501 0.000 1.064 283 D CA -0.351 53.858 54.000 0.348 0.000 0.829 283 D CB 0.326 41.337 40.800 0.353 0.000 1.129 283 D HN 0.293 nan 8.370 nan 0.000 0.506 284 N N 2.875 121.788 118.700 0.356 0.000 2.725 284 N HA -0.253 4.480 4.740 -0.011 0.000 0.251 284 N C -1.372 174.372 175.510 0.391 0.000 1.031 284 N CA 0.782 54.006 53.050 0.289 0.000 0.720 284 N CB -0.801 37.778 38.487 0.152 0.000 0.930 284 N HN 0.390 nan 8.380 nan 0.000 0.543 285 F N 0.477 120.541 119.950 0.189 0.000 2.622 285 F HA 0.424 4.944 4.527 -0.011 0.000 0.318 285 F C -1.295 174.594 175.800 0.149 0.000 1.135 285 F CA -1.071 57.012 58.000 0.138 0.000 1.015 285 F CB 0.965 40.011 39.000 0.077 0.000 1.275 285 F HN -0.027 nan 8.300 nan 0.000 0.457 286 F N 5.824 125.325 119.950 -0.749 0.000 2.410 286 F HA 0.515 5.035 4.527 -0.011 0.000 0.349 286 F C -0.502 174.956 175.800 -0.569 0.000 1.117 286 F CA -0.111 57.567 58.000 -0.536 0.000 1.104 286 F CB 0.811 39.517 39.000 -0.490 0.000 1.122 286 F HN 0.495 nan 8.300 nan 0.000 0.483 287 E N 3.997 123.619 120.200 -0.964 0.000 2.182 287 E HA 0.236 4.579 4.350 -0.011 0.000 0.258 287 E C -0.253 175.628 176.600 -1.198 0.000 0.879 287 E CA -0.667 55.256 56.400 -0.796 0.000 0.754 287 E CB 1.567 31.155 29.700 -0.187 0.000 1.162 287 E HN 0.941 nan 8.360 nan 0.000 0.419 288 G N 4.612 112.638 108.800 -1.290 0.000 3.316 288 G HA2 0.022 3.976 3.960 -0.011 0.000 0.255 288 G HA3 0.022 3.976 3.960 -0.011 0.000 0.255 288 G C 0.119 174.976 174.900 -0.072 0.000 0.880 288 G CA -0.174 44.389 45.100 -0.894 0.000 1.956 288 G HN 0.125 nan 8.290 nan 0.000 0.634 289 K N 0.370 120.781 120.400 0.019 0.000 2.110 289 K HA 0.213 4.527 4.320 -0.011 0.000 0.263 289 K C 0.960 177.699 176.600 0.232 0.000 0.975 289 K CA -0.788 55.582 56.287 0.139 0.000 0.895 289 K CB 2.144 34.723 32.500 0.132 0.000 1.060 289 K HN 0.392 nan 8.250 nan 0.000 0.448 290 E N 1.289 121.583 120.200 0.157 0.000 2.077 290 E HA -0.196 4.147 4.350 -0.011 0.000 0.193 290 E C 1.500 178.123 176.600 0.037 0.000 0.989 290 E CA 0.880 57.320 56.400 0.066 0.000 0.800 290 E CB 0.156 29.897 29.700 0.068 0.000 0.746 290 E HN 0.383 nan 8.360 nan 0.000 0.452 291 L N 1.427 122.718 121.223 0.114 0.000 2.079 291 L HA -0.187 4.146 4.340 -0.011 0.000 0.210 291 L C 2.372 179.341 176.870 0.164 0.000 1.081 291 L CA 1.619 56.547 54.840 0.148 0.000 0.752 291 L CB -0.556 41.662 42.059 0.264 0.000 0.896 291 L HN 0.026 nan 8.230 nan 0.000 0.433 292 R N -0.507 120.046 120.500 0.088 0.000 2.073 292 R HA -0.118 4.215 4.340 -0.011 0.000 0.234 292 R C 2.220 178.562 176.300 0.071 0.000 1.134 292 R CA 1.722 57.808 56.100 -0.023 0.000 0.952 292 R CB -1.271 28.882 30.300 -0.245 0.000 0.850 292 R HN 0.424 nan 8.270 nan 0.000 0.433 293 L N 1.367 122.527 121.223 -0.106 0.000 2.083 293 L HA -0.130 4.203 4.340 -0.011 0.000 0.209 293 L C 1.929 178.735 176.870 -0.108 0.000 1.083 293 L CA 1.898 56.475 54.840 -0.438 0.000 0.752 293 L CB -0.371 41.116 42.059 -0.954 0.000 0.899 293 L HN 0.064 nan 8.230 nan 0.000 0.433 294 K N -1.071 119.314 120.400 -0.025 0.000 2.057 294 K HA -0.184 4.129 4.320 -0.011 0.000 0.207 294 K C 2.102 178.850 176.600 0.248 0.000 1.049 294 K CA 1.751 58.091 56.287 0.089 0.000 0.931 294 K CB -0.150 32.250 32.500 -0.166 0.000 0.714 294 K HN 0.495 nan 8.250 nan 0.000 0.440 295 Q N 0.464 120.382 119.800 0.196 0.000 2.084 295 Q HA -0.184 4.150 4.340 -0.011 0.000 0.202 295 Q C 1.910 178.104 176.000 0.323 0.000 0.978 295 Q CA 1.388 57.363 55.803 0.286 0.000 0.844 295 Q CB 0.008 28.938 28.738 0.320 0.000 0.898 295 Q HN 0.374 nan 8.270 nan 0.000 0.426 296 E N -0.179 120.165 120.200 0.240 0.000 2.077 296 E HA -0.210 4.133 4.350 -0.011 0.000 0.193 296 E C 1.713 178.418 176.600 0.175 0.000 0.989 296 E CA 1.041 57.564 56.400 0.205 0.000 0.800 296 E CB -0.113 29.688 29.700 0.167 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.357 120.701 120.300 0.073 0.000 2.220 297 Y HA -0.197 4.346 4.550 -0.011 0.000 0.291 297 Y C 1.944 177.876 175.900 0.054 0.000 1.129 297 Y CA 1.024 59.121 58.100 -0.005 0.000 1.161 297 Y CB -0.398 38.026 38.460 -0.060 0.000 0.997 297 Y HN 0.019 nan 8.280 nan 0.000 0.522 298 F N -0.192 119.745 119.950 -0.022 0.000 2.065 298 F HA -0.266 4.255 4.527 -0.011 0.000 0.298 298 F C 2.492 178.129 175.800 -0.273 0.000 1.112 298 F CA 2.167 60.111 58.000 -0.095 0.000 1.212 298 F CB -1.100 38.002 39.000 0.169 0.000 0.975 298 F HN -0.067 nan 8.300 nan 0.000 0.476 299 V N -0.392 119.466 119.914 -0.093 0.000 2.490 299 V HA -0.199 3.914 4.120 -0.011 0.000 0.250 299 V C 2.138 178.037 176.094 -0.324 0.000 1.061 299 V CA 1.892 64.073 62.300 -0.199 0.000 1.064 299 V CB -0.371 31.560 31.823 0.181 0.000 0.670 299 V HN 0.291 nan 8.190 nan 0.000 0.461 300 V N 0.331 120.072 119.914 -0.287 0.000 2.323 300 V HA -0.134 3.979 4.120 -0.011 0.000 0.244 300 V C 2.805 178.617 176.094 -0.471 0.000 1.041 300 V CA 2.007 64.130 62.300 -0.296 0.000 1.025 300 V CB -1.027 30.688 31.823 -0.181 0.000 0.656 300 V HN 0.634 nan 8.190 nan 0.000 0.451 301 A N -0.043 122.331 122.820 -0.743 0.000 1.877 301 A HA -0.140 4.173 4.320 -0.011 0.000 0.216 301 A C 2.392 179.589 177.584 -0.645 0.000 1.186 301 A CA 2.246 53.840 52.037 -0.739 0.000 0.620 301 A CB -0.822 17.497 19.000 -1.135 0.000 0.822 301 A HN 0.568 nan 8.150 nan 0.000 0.443 302 A N -1.211 121.060 122.820 -0.915 0.000 1.898 302 A HA -0.042 4.271 4.320 -0.011 0.000 0.216 302 A C 2.303 179.341 177.584 -0.911 0.000 1.181 302 A CA 2.199 53.525 52.037 -1.185 0.000 0.620 302 A CB -1.240 16.442 19.000 -2.197 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.476 114.596 114.554 -0.723 0.000 2.746 303 T HA -0.099 4.244 4.350 -0.011 0.000 0.267 303 T C 1.817 176.208 174.700 -0.515 0.000 1.039 303 T CA 1.469 63.263 62.100 -0.511 0.000 1.142 303 T CB -0.366 68.192 68.868 -0.518 0.000 0.866 303 T HN 0.340 nan 8.240 nan 0.000 0.444 304 L N 0.622 121.602 121.223 -0.406 0.000 2.046 304 L HA -0.141 4.192 4.340 -0.011 0.000 0.208 304 L C 2.938 179.683 176.870 -0.209 0.000 1.077 304 L CA 1.362 56.029 54.840 -0.288 0.000 0.747 304 L CB -0.485 41.445 42.059 -0.214 0.000 0.896 304 L HN 0.333 nan 8.230 nan 0.000 0.432 305 Q N -0.559 119.116 119.800 -0.208 0.000 2.084 305 Q HA -0.265 4.069 4.340 -0.011 0.000 0.202 305 Q C 1.755 177.713 176.000 -0.070 0.000 0.978 305 Q CA 1.853 57.587 55.803 -0.115 0.000 0.844 305 Q CB -0.134 28.529 28.738 -0.125 0.000 0.898 305 Q HN 0.406 nan 8.270 nan 0.000 0.426 306 D N 0.383 120.727 120.400 -0.094 0.000 2.144 306 D HA -0.083 4.550 4.640 -0.011 0.000 0.200 306 D C 1.615 177.839 176.300 -0.127 0.000 0.978 306 D CA 0.785 54.762 54.000 -0.039 0.000 0.833 306 D CB 0.034 40.916 40.800 0.137 0.000 0.961 306 D HN 0.167 nan 8.370 nan 0.000 0.470 307 I N -0.089 120.322 120.570 -0.266 0.000 2.252 307 I HA -0.190 3.973 4.170 -0.011 0.000 0.245 307 I C 2.166 178.298 176.117 0.025 0.000 1.102 307 I CA 0.649 61.746 61.300 -0.338 0.000 1.385 307 I CB -0.043 37.613 38.000 -0.572 0.000 1.064 307 I HN 0.042 nan 8.210 nan 0.000 0.414 308 I N 0.333 120.967 120.570 0.108 0.000 2.353 308 I HA -0.260 3.903 4.170 -0.011 0.000 0.248 308 I C 2.760 179.037 176.117 0.268 0.000 1.119 308 I CA 0.967 62.449 61.300 0.303 0.000 1.417 308 I CB -0.339 37.788 38.000 0.212 0.000 1.078 308 I HN 0.181 nan 8.210 nan 0.000 0.421 309 R N 1.213 121.794 120.500 0.135 0.000 2.081 309 R HA -0.213 4.121 4.340 -0.011 0.000 0.235 309 R C 2.440 178.804 176.300 0.108 0.000 1.131 309 R CA 1.623 57.788 56.100 0.108 0.000 0.960 309 R CB -0.263 30.077 30.300 0.068 0.000 0.856 309 R HN 0.216 nan 8.270 nan 0.000 0.436 310 R N -0.557 120.000 120.500 0.094 0.000 2.081 310 R HA -0.170 4.163 4.340 -0.011 0.000 0.235 310 R C 2.187 178.589 176.300 0.171 0.000 1.131 310 R CA 1.799 57.964 56.100 0.109 0.000 0.960 310 R CB -0.391 29.957 30.300 0.079 0.000 0.856 310 R HN 0.282 nan 8.270 nan 0.000 0.436 311 F N 1.650 121.647 119.950 0.080 0.000 2.113 311 F HA -0.115 4.405 4.527 -0.011 0.000 0.297 311 F C 1.722 177.540 175.800 0.030 0.000 1.103 311 F CA 1.489 59.534 58.000 0.075 0.000 1.248 311 F CB -0.083 39.031 39.000 0.190 0.000 0.999 311 F HN -0.153 nan 8.300 nan 0.000 0.475 312 K N 0.052 120.417 120.400 -0.059 0.000 2.281 312 K HA -0.126 4.187 4.320 -0.011 0.000 0.203 312 K C 2.119 178.606 176.600 -0.188 0.000 1.046 312 K CA 1.338 57.502 56.287 -0.205 0.000 0.938 312 K CB -0.249 32.251 32.500 0.001 0.000 0.737 312 K HN 0.300 nan 8.250 nan 0.000 0.458 313 S N 0.283 115.935 115.700 -0.081 0.000 2.303 313 S HA -0.026 4.438 4.470 -0.011 0.000 0.207 313 S C 0.754 175.300 174.600 -0.091 0.000 1.025 313 S CA -0.084 58.107 58.200 -0.015 0.000 0.953 313 S CB -0.051 63.219 63.200 0.118 0.000 0.932 313 S HN 0.279 nan 8.310 nan 0.000 0.472 325 N N 1.096 119.790 118.700 -0.010 0.000 2.420 325 N HA 0.405 5.138 4.740 -0.011 0.000 0.249 325 N C 0.142 175.721 175.510 0.115 0.000 1.033 325 N CA -0.534 52.570 53.050 0.091 0.000 0.944 325 N CB 0.430 38.961 38.487 0.073 0.000 1.113 325 N HN 0.387 nan 8.380 nan 0.000 0.502 326 F N 0.627 120.675 119.950 0.163 0.000 2.769 326 F HA 0.043 4.564 4.527 -0.011 0.000 0.304 326 F C 1.532 177.399 175.800 0.112 0.000 1.158 326 F CA 0.097 58.187 58.000 0.149 0.000 1.398 326 F CB 0.187 39.157 39.000 -0.051 0.000 1.094 326 F HN 0.553 nan 8.300 nan 0.000 0.553 327 D N 0.282 120.819 120.400 0.228 0.000 2.219 327 D HA -0.112 4.522 4.640 -0.011 0.000 0.205 327 D C 2.174 178.558 176.300 0.140 0.000 0.970 327 D CA 1.124 55.215 54.000 0.151 0.000 0.851 327 D CB 0.141 41.006 40.800 0.108 0.000 0.943 327 D HN 0.333 nan 8.370 nan 0.000 0.488 328 A N -0.069 122.859 122.820 0.179 0.000 2.251 328 A HA 0.045 4.358 4.320 -0.011 0.000 0.209 328 A C 1.674 179.335 177.584 0.130 0.000 1.187 328 A CA -0.279 51.856 52.037 0.163 0.000 0.823 328 A CB -0.614 18.504 19.000 0.198 0.000 0.846 328 A HN 0.136 nan 8.150 nan 0.000 0.486 329 F N 1.976 121.844 119.950 -0.136 0.000 2.063 329 F HA -0.164 4.356 4.527 -0.011 0.000 0.298 329 F C -0.752 174.901 175.800 -0.245 0.000 1.109 329 F CA 2.613 60.315 58.000 -0.496 0.000 1.212 329 F CB -0.537 38.232 39.000 -0.384 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.094 nan 4.420 nan 0.000 0.228 330 P C 0.568 177.793 177.300 -0.125 0.000 1.151 330 P CA 1.399 64.427 63.100 -0.120 0.000 0.770 330 P CB -0.077 31.601 31.700 -0.037 0.000 0.786 331 D N -0.993 119.354 120.400 -0.088 0.000 2.348 331 D HA -0.002 4.631 4.640 -0.011 0.000 0.211 331 D C 1.501 177.763 176.300 -0.062 0.000 0.998 331 D CA 0.797 54.767 54.000 -0.049 0.000 0.873 331 D CB 0.171 40.970 40.800 -0.003 0.000 0.925 331 D HN 0.129 nan 8.370 nan 0.000 0.524 332 K N -0.149 120.177 120.400 -0.122 0.000 2.412 332 K HA 0.219 4.532 4.320 -0.011 0.000 0.202 332 K C -0.047 176.430 176.600 -0.204 0.000 1.102 332 K CA 0.088 56.316 56.287 -0.098 0.000 1.027 332 K CB 2.405 34.943 32.500 0.063 0.000 0.931 332 K HN -0.075 nan 8.250 nan 0.000 0.557 333 V N 0.977 120.669 119.914 -0.371 0.000 2.709 333 V HA 0.680 4.793 4.120 -0.011 0.000 0.308 333 V C -1.172 174.789 176.094 -0.220 0.000 1.062 333 V CA -1.209 60.874 62.300 -0.362 0.000 0.901 333 V CB 1.902 33.231 31.823 -0.823 0.000 1.003 333 V HN 0.126 nan 8.190 nan 0.000 0.425 334 A N 5.094 127.843 122.820 -0.119 0.000 2.375 334 A HA 0.901 5.214 4.320 -0.011 0.000 0.295 334 A C -1.061 176.526 177.584 0.005 0.000 1.066 334 A CA -0.445 51.569 52.037 -0.039 0.000 0.722 334 A CB 1.261 20.201 19.000 -0.100 0.000 1.206 334 A HN 1.256 nan 8.150 nan 0.000 0.435 335 I N 0.656 121.293 120.570 0.112 0.000 2.389 335 I HA 0.708 4.871 4.170 -0.011 0.000 0.288 335 I C -0.606 175.608 176.117 0.163 0.000 0.999 335 I CA -0.443 60.945 61.300 0.147 0.000 1.129 335 I CB 1.836 39.914 38.000 0.131 0.000 1.288 335 I HN 0.544 nan 8.210 nan 0.000 0.444 336 Q N 5.789 125.689 119.800 0.167 0.000 2.278 336 Q HA 0.531 4.864 4.340 -0.011 0.000 0.257 336 Q C -1.611 174.405 176.000 0.028 0.000 0.928 336 Q CA -0.426 55.509 55.803 0.220 0.000 0.932 336 Q CB 1.484 30.483 28.738 0.434 0.000 1.221 336 Q HN 0.765 nan 8.270 nan 0.000 0.434 337 L N 4.302 125.576 121.223 0.085 0.000 2.255 337 L HA 0.328 4.661 4.340 -0.011 0.000 0.289 337 L C -0.288 176.623 176.870 0.068 0.000 1.046 337 L CA -0.203 54.675 54.840 0.063 0.000 0.816 337 L CB 0.561 42.703 42.059 0.137 0.000 1.197 337 L HN 0.611 nan 8.230 nan 0.000 0.427 338 N N 4.130 122.793 118.700 -0.063 0.000 2.605 338 N HA 0.142 4.875 4.740 -0.011 0.000 0.258 338 N C -0.167 175.398 175.510 0.092 0.000 1.156 338 N CA 0.507 53.586 53.050 0.047 0.000 1.008 338 N CB -0.173 38.261 38.487 -0.088 0.000 1.354 338 N HN 0.561 nan 8.380 nan 0.000 0.509 339 D N -0.523 120.015 120.400 0.230 0.000 4.259 339 D HA -0.212 4.421 4.640 -0.011 0.000 0.290 339 D C 0.363 176.745 176.300 0.137 0.000 2.199 339 D CA 1.435 55.541 54.000 0.176 0.000 1.194 339 D CB -0.614 40.017 40.800 -0.281 0.000 1.003 339 D HN 0.465 nan 8.370 nan 0.000 1.204 340 T N -2.464 112.087 114.554 -0.005 0.000 3.107 340 T HA 0.123 4.466 4.350 -0.011 0.000 0.249 340 T C 1.633 176.387 174.700 0.090 0.000 1.096 340 T CA 1.439 63.520 62.100 -0.031 0.000 1.012 340 T CB -0.482 68.337 68.868 -0.082 0.000 0.977 340 T HN 0.500 nan 8.240 nan 0.000 0.527 341 H N 2.647 121.797 119.070 0.134 0.000 2.353 341 H HA -0.018 4.532 4.556 -0.011 0.000 0.298 341 H C -0.843 174.568 175.328 0.139 0.000 1.103 341 H CA 1.161 57.306 56.048 0.161 0.000 1.293 341 H CB -0.834 29.026 29.762 0.163 0.000 1.372 341 H HN 0.445 nan 8.280 nan 0.000 0.501 342 P HA 0.073 nan 4.420 nan 0.000 0.259 342 P C 0.800 178.139 177.300 0.066 0.000 1.530 342 P CA 0.374 63.550 63.100 0.127 0.000 1.022 342 P CB 0.335 32.099 31.700 0.107 0.000 1.514 343 S N -0.229 115.503 115.700 0.053 0.000 2.440 343 S HA -0.118 4.345 4.470 -0.011 0.000 0.238 343 S C 1.654 176.256 174.600 0.003 0.000 1.010 343 S CA 0.791 58.984 58.200 -0.012 0.000 0.972 343 S CB -1.463 61.704 63.200 -0.054 0.000 0.774 343 S HN 0.158 nan 8.310 nan 0.000 0.501 344 L N 0.812 122.053 121.223 0.030 0.000 2.622 344 L HA 0.129 4.463 4.340 -0.011 0.000 0.233 344 L C 2.787 179.692 176.870 0.060 0.000 1.156 344 L CA 0.511 55.375 54.840 0.040 0.000 0.866 344 L CB -0.632 41.453 42.059 0.043 0.000 0.980 344 L HN 0.469 nan 8.230 nan 0.000 0.448 345 A N 0.381 123.214 122.820 0.021 0.000 1.969 345 A HA -0.145 4.168 4.320 -0.011 0.000 0.218 345 A C 2.160 179.741 177.584 -0.004 0.000 1.169 345 A CA 1.268 53.303 52.037 -0.004 0.000 0.635 345 A CB -0.334 18.655 19.000 -0.018 0.000 0.810 345 A HN 0.346 nan 8.150 nan 0.000 0.445 346 I N 0.345 120.916 120.570 0.001 0.000 2.133 346 I HA -0.125 4.038 4.170 -0.011 0.000 0.238 346 I C -0.394 175.743 176.117 0.034 0.000 1.074 346 I CA 1.476 62.775 61.300 -0.002 0.000 1.342 346 I CB -0.804 37.200 38.000 0.006 0.000 1.053 346 I HN 0.228 nan 8.210 nan 0.000 0.404 347 P HA -0.165 nan 4.420 nan 0.000 0.223 347 P C 1.234 178.544 177.300 0.018 0.000 1.151 347 P CA 1.447 64.582 63.100 0.058 0.000 0.787 347 P CB 0.047 31.800 31.700 0.088 0.000 0.788 348 E N 0.191 120.462 120.200 0.118 0.000 2.107 348 E HA -0.125 4.218 4.350 -0.011 0.000 0.191 348 E C 1.881 178.460 176.600 -0.034 0.000 0.982 348 E CA 0.533 57.017 56.400 0.140 0.000 0.809 348 E CB -1.147 28.692 29.700 0.232 0.000 0.756 348 E HN -0.011 nan 8.360 nan 0.000 0.459 349 L N 0.032 121.210 121.223 -0.075 0.000 2.093 349 L HA -0.044 4.289 4.340 -0.011 0.000 0.208 349 L C 1.993 178.725 176.870 -0.231 0.000 1.085 349 L CA 1.670 56.412 54.840 -0.163 0.000 0.755 349 L CB -0.526 41.444 42.059 -0.148 0.000 0.904 349 L HN 0.234 nan 8.230 nan 0.000 0.435 350 M N -0.846 118.630 119.600 -0.206 0.000 2.132 350 M HA -0.183 4.290 4.480 -0.011 0.000 0.263 350 M C 2.411 178.535 176.300 -0.294 0.000 1.065 350 M CA 1.426 56.547 55.300 -0.299 0.000 1.122 350 M CB -1.112 31.297 32.600 -0.318 0.000 1.365 350 M HN 0.319 nan 8.290 nan 0.000 0.411 351 R N -0.016 120.337 120.500 -0.245 0.000 2.080 351 R HA -0.143 4.191 4.340 -0.011 0.000 0.236 351 R C 2.112 178.298 176.300 -0.191 0.000 1.137 351 R CA 1.725 57.683 56.100 -0.237 0.000 0.943 351 R CB -0.242 29.870 30.300 -0.314 0.000 0.846 351 R HN 0.185 nan 8.270 nan 0.000 0.431 352 V N 1.437 121.240 119.914 -0.185 0.000 2.261 352 V HA -0.267 3.846 4.120 -0.011 0.000 0.246 352 V C 2.450 178.383 176.094 -0.269 0.000 1.047 352 V CA 1.834 64.021 62.300 -0.188 0.000 1.015 352 V CB -0.423 31.287 31.823 -0.189 0.000 0.642 352 V HN 0.358 nan 8.190 nan 0.000 0.446 353 L N -0.636 120.365 121.223 -0.370 0.000 2.042 353 L HA -0.180 4.153 4.340 -0.011 0.000 0.210 353 L C 2.394 179.080 176.870 -0.306 0.000 1.076 353 L CA 1.364 55.928 54.840 -0.461 0.000 0.749 353 L CB -0.622 41.132 42.059 -0.509 0.000 0.893 353 L HN 0.221 nan 8.230 nan 0.000 0.432 354 V N -0.677 119.090 119.914 -0.245 0.000 2.331 354 V HA -0.183 3.930 4.120 -0.011 0.000 0.242 354 V C 2.011 178.052 176.094 -0.088 0.000 1.034 354 V CA 1.664 63.875 62.300 -0.147 0.000 1.027 354 V CB -0.323 31.422 31.823 -0.129 0.000 0.667 354 V HN 0.352 nan 8.190 nan 0.000 0.457 355 D N 0.061 120.404 120.400 -0.095 0.000 2.123 355 D HA -0.037 4.597 4.640 -0.011 0.000 0.200 355 D C 2.091 178.358 176.300 -0.055 0.000 0.976 355 D CA 1.245 55.209 54.000 -0.060 0.000 0.831 355 D CB -0.037 40.723 40.800 -0.066 0.000 0.974 355 D HN 0.307 nan 8.370 nan 0.000 0.469 356 L N 0.363 121.538 121.223 -0.079 0.000 2.200 356 L HA 0.064 4.397 4.340 -0.011 0.000 0.200 356 L C 1.997 178.830 176.870 -0.063 0.000 1.072 356 L CA 0.648 55.452 54.840 -0.061 0.000 0.787 356 L CB -0.197 41.825 42.059 -0.062 0.000 0.957 356 L HN -0.150 nan 8.230 nan 0.000 0.459 357 E N 0.660 120.787 120.200 -0.122 0.000 2.435 357 E HA -0.005 4.338 4.350 -0.011 0.000 0.195 357 E C 0.167 176.726 176.600 -0.069 0.000 1.029 357 E CA 0.016 56.350 56.400 -0.109 0.000 0.865 357 E CB 0.196 29.717 29.700 -0.297 0.000 0.833 357 E HN 0.264 nan 8.360 nan 0.000 0.510 358 R N -0.110 120.345 120.500 -0.075 0.000 3.532 358 R HA -0.190 4.143 4.340 -0.011 0.000 0.284 358 R C -0.475 175.806 176.300 -0.030 0.000 1.140 358 R CA 0.233 56.311 56.100 -0.035 0.000 0.768 358 R CB -2.518 27.779 30.300 -0.003 0.000 1.252 358 R HN 0.048 nan 8.270 nan 0.000 0.454 359 L N 1.873 123.051 121.223 -0.075 0.000 2.399 359 L HA 0.183 4.517 4.340 -0.011 0.000 0.266 359 L C 1.232 178.090 176.870 -0.021 0.000 1.114 359 L CA 0.072 54.880 54.840 -0.055 0.000 0.804 359 L CB 0.510 42.492 42.059 -0.127 0.000 1.146 359 L HN 0.120 nan 8.230 nan 0.000 0.451 360 D N 0.619 121.032 120.400 0.022 0.000 2.362 360 D HA -0.134 4.500 4.640 -0.011 0.000 0.242 360 D C 1.006 177.363 176.300 0.095 0.000 1.132 360 D CA -0.489 53.557 54.000 0.077 0.000 0.907 360 D CB 0.699 41.552 40.800 0.089 0.000 1.195 360 D HN 0.598 nan 8.370 nan 0.000 0.429 361 W N 2.375 123.680 121.300 0.009 0.000 2.289 361 W HA -0.269 4.385 4.660 -0.011 0.000 0.331 361 W C 1.193 177.760 176.519 0.080 0.000 1.283 361 W CA 2.124 59.482 57.345 0.021 0.000 1.252 361 W CB -0.342 29.110 29.460 -0.013 0.000 1.153 361 W HN 0.509 nan 8.180 nan 0.000 0.467 362 D N 0.002 120.597 120.400 0.325 0.000 2.149 362 D HA -0.208 4.425 4.640 -0.011 0.000 0.198 362 D C 2.049 178.448 176.300 0.165 0.000 0.990 362 D CA 1.386 55.551 54.000 0.275 0.000 0.839 362 D CB -0.382 40.556 40.800 0.231 0.000 0.948 362 D HN 0.127 nan 8.370 nan 0.000 0.460 363 K N 0.992 121.447 120.400 0.091 0.000 2.062 363 K HA 0.001 4.314 4.320 -0.011 0.000 0.205 363 K C 2.026 178.619 176.600 -0.011 0.000 1.051 363 K CA 0.801 57.117 56.287 0.048 0.000 0.941 363 K CB -0.229 32.294 32.500 0.038 0.000 0.719 363 K HN 0.011 nan 8.250 nan 0.000 0.440 364 A N 0.853 123.625 122.820 -0.081 0.000 1.902 364 A HA -0.196 4.117 4.320 -0.011 0.000 0.217 364 A C 2.112 179.606 177.584 -0.150 0.000 1.181 364 A CA 1.334 53.254 52.037 -0.194 0.000 0.623 364 A CB -1.055 17.750 19.000 -0.326 0.000 0.818 364 A HN 0.648 nan 8.150 nan 0.000 0.443 365 W N 0.593 121.695 121.300 -0.331 0.000 2.388 365 W HA -0.129 4.524 4.660 -0.011 0.000 0.294 365 W C 1.951 178.422 176.519 -0.081 0.000 1.212 365 W CA 1.668 58.876 57.345 -0.229 0.000 1.271 365 W CB -0.029 29.350 29.460 -0.135 0.000 1.126 365 W HN 0.601 nan 8.180 nan 0.000 0.535 366 E N 0.117 120.314 120.200 -0.006 0.000 2.077 366 E HA -0.200 4.143 4.350 -0.011 0.000 0.193 366 E C 2.046 178.573 176.600 -0.122 0.000 0.989 366 E CA 1.620 57.983 56.400 -0.062 0.000 0.800 366 E CB -0.222 29.497 29.700 0.032 0.000 0.746 366 E HN 0.059 nan 8.360 nan 0.000 0.452 367 V N 0.704 120.562 119.914 -0.093 0.000 2.295 367 V HA -0.244 3.869 4.120 -0.011 0.000 0.246 367 V C 2.419 178.452 176.094 -0.100 0.000 1.049 367 V CA 2.154 64.419 62.300 -0.058 0.000 1.024 367 V CB -0.787 31.003 31.823 -0.055 0.000 0.648 367 V HN 0.351 nan 8.190 nan 0.000 0.447 368 T N 0.101 114.525 114.554 -0.217 0.000 2.652 368 T HA -0.190 4.153 4.350 -0.011 0.000 0.267 368 T C 1.940 176.452 174.700 -0.313 0.000 1.039 368 T CA 1.833 63.774 62.100 -0.265 0.000 1.153 368 T CB -0.300 68.347 68.868 -0.368 0.000 0.863 368 T HN 0.265 nan 8.240 nan 0.000 0.428 369 V N 1.118 120.720 119.914 -0.519 0.000 2.490 369 V HA -0.141 3.972 4.120 -0.011 0.000 0.250 369 V C 2.351 178.382 176.094 -0.106 0.000 1.061 369 V CA 1.577 63.632 62.300 -0.409 0.000 1.064 369 V CB -0.453 31.053 31.823 -0.528 0.000 0.670 369 V HN 0.434 nan 8.190 nan 0.000 0.461 370 K N -0.281 120.044 120.400 -0.125 0.000 2.296 370 K HA -0.088 4.225 4.320 -0.011 0.000 0.200 370 K C 2.148 178.705 176.600 -0.072 0.000 1.048 370 K CA 1.480 57.680 56.287 -0.144 0.000 0.966 370 K CB -0.107 32.310 32.500 -0.138 0.000 0.754 370 K HN 0.624 nan 8.250 nan 0.000 0.466 371 T N -1.929 112.648 114.554 0.038 0.000 3.014 371 T HA 0.097 4.441 4.350 -0.011 0.000 0.250 371 T C 0.600 175.404 174.700 0.173 0.000 1.060 371 T CA -0.302 61.854 62.100 0.093 0.000 1.040 371 T CB -0.024 68.904 68.868 0.100 0.000 0.971 371 T HN 0.002 nan 8.240 nan 0.000 0.497 372 C N 2.557 121.949 119.300 0.154 0.000 2.365 372 C HA 0.921 5.374 4.460 -0.011 0.000 0.351 372 C C 0.536 175.582 174.990 0.094 0.000 1.240 372 C CA -0.761 58.324 59.018 0.112 0.000 2.062 372 C CB 0.254 27.997 27.740 0.005 0.000 2.387 372 C HN 0.745 nan 8.230 nan 0.000 0.537 373 A N 2.419 125.287 122.820 0.080 0.000 2.486 373 A HA 0.735 5.049 4.320 -0.011 0.000 0.300 373 A C -1.532 176.124 177.584 0.120 0.000 1.048 373 A CA -0.407 51.627 52.037 -0.004 0.000 0.696 373 A CB 0.975 19.991 19.000 0.026 0.000 1.278 373 A HN 0.935 nan 8.150 nan 0.000 0.405 374 Y N 1.248 121.494 120.300 -0.088 0.000 2.393 374 Y HA 0.657 5.201 4.550 -0.011 0.000 0.341 374 Y C -0.477 175.401 175.900 -0.037 0.000 0.988 374 Y CA -0.357 57.704 58.100 -0.065 0.000 1.078 374 Y CB 2.057 40.436 38.460 -0.134 0.000 1.203 374 Y HN 0.564 nan 8.280 nan 0.000 0.453 375 T N 6.446 120.809 114.554 -0.318 0.000 2.770 375 T HA 0.185 4.528 4.350 -0.011 0.000 0.283 375 T C -0.824 173.432 174.700 -0.739 0.000 0.988 375 T CA -0.818 61.016 62.100 -0.443 0.000 0.957 375 T CB 0.447 69.274 68.868 -0.068 0.000 0.930 375 T HN 0.637 nan 8.240 nan 0.000 0.443 376 N N 1.734 119.995 118.700 -0.731 0.000 2.479 376 N HA 0.137 4.870 4.740 -0.011 0.000 0.285 376 N C 0.133 175.509 175.510 -0.223 0.000 1.075 376 N CA -0.305 52.540 53.050 -0.343 0.000 0.967 376 N CB 0.787 39.239 38.487 -0.058 0.000 1.137 376 N HN 0.661 nan 8.380 nan 0.000 0.472 377 H N 0.898 119.991 119.070 0.039 0.000 2.986 377 H HA 0.150 4.699 4.556 -0.011 0.000 0.267 377 H C -0.066 175.166 175.328 -0.161 0.000 1.072 377 H CA 0.129 56.142 56.048 -0.059 0.000 1.202 377 H CB 1.230 30.975 29.762 -0.029 0.000 1.535 377 H HN 0.525 nan 8.280 nan 0.000 0.522 378 T N 0.054 114.629 114.554 0.035 0.000 2.802 378 T HA 0.285 4.628 4.350 -0.011 0.000 0.311 378 T C 0.313 175.034 174.700 0.034 0.000 1.405 378 T CA -0.319 61.753 62.100 -0.047 0.000 1.016 378 T CB 1.371 70.203 68.868 -0.060 0.000 1.352 378 T HN -0.063 nan 8.240 nan 0.000 0.498 379 V N 1.204 121.098 119.914 -0.033 0.000 3.477 379 V HA 0.498 4.612 4.120 -0.011 0.000 0.297 379 V C 0.893 176.944 176.094 -0.072 0.000 1.433 379 V CA -0.139 62.134 62.300 -0.044 0.000 1.052 379 V CB -0.711 31.090 31.823 -0.037 0.000 0.895 379 V HN 0.790 nan 8.190 nan 0.000 0.438 380 I N -0.217 120.296 120.570 -0.095 0.000 2.556 380 I HA 0.317 4.480 4.170 -0.011 0.000 0.284 380 I C -0.750 175.348 176.117 -0.033 0.000 1.114 380 I CA -1.674 59.590 61.300 -0.060 0.000 1.418 380 I CB 0.647 38.599 38.000 -0.079 0.000 1.394 380 I HN -0.044 nan 8.210 nan 0.000 0.552 381 P HA -0.240 nan 4.420 nan 0.000 0.216 381 P C 1.120 178.396 177.300 -0.041 0.000 1.150 381 P CA 1.571 64.655 63.100 -0.028 0.000 0.837 381 P CB -0.097 31.595 31.700 -0.014 0.000 0.786 382 E N 0.328 120.521 120.200 -0.012 0.000 2.409 382 E HA -0.066 4.278 4.350 -0.011 0.000 0.198 382 E C 1.594 178.100 176.600 -0.156 0.000 1.024 382 E CA 1.111 57.468 56.400 -0.072 0.000 0.861 382 E CB -0.693 29.049 29.700 0.070 0.000 0.788 382 E HN 0.214 nan 8.360 nan 0.000 0.521 383 A N 1.051 123.839 122.820 -0.054 0.000 2.195 383 A HA 0.195 4.508 4.320 -0.011 0.000 0.210 383 A C 1.193 178.742 177.584 -0.058 0.000 1.165 383 A CA -0.300 51.728 52.037 -0.015 0.000 0.806 383 A CB 0.109 19.130 19.000 0.034 0.000 0.847 383 A HN 0.144 nan 8.150 nan 0.000 0.482 384 L N 1.775 122.925 121.223 -0.122 0.000 2.455 384 L HA 0.117 4.451 4.340 -0.011 0.000 0.272 384 L C -0.034 176.505 176.870 -0.550 0.000 1.174 384 L CA 0.510 55.223 54.840 -0.212 0.000 0.869 384 L CB 0.320 42.288 42.059 -0.152 0.000 1.130 384 L HN 0.406 nan 8.230 nan 0.000 0.474 385 E N 4.937 124.727 120.200 -0.684 0.000 2.129 385 E HA 0.199 4.542 4.350 -0.011 0.000 0.283 385 E C -0.465 175.538 176.600 -0.995 0.000 1.080 385 E CA -0.206 55.379 56.400 -1.359 0.000 0.867 385 E CB 0.679 29.912 29.700 -0.778 0.000 1.056 385 E HN 0.364 nan 8.360 nan 0.000 0.404 386 R N 3.809 123.607 120.500 -1.170 0.000 2.407 386 R HA 0.194 4.527 4.340 -0.011 0.000 0.298 386 R C -1.204 174.937 176.300 -0.264 0.000 1.166 386 R CA -0.563 55.260 56.100 -0.460 0.000 1.006 386 R CB 0.848 31.001 30.300 -0.244 0.000 1.145 386 R HN 0.430 nan 8.270 nan 0.000 0.538 387 W N 4.599 125.858 121.300 -0.068 0.000 2.311 387 W HA 0.257 4.910 4.660 -0.011 0.000 0.310 387 W C -1.884 174.622 176.519 -0.022 0.000 1.274 387 W CA -2.114 55.253 57.345 0.038 0.000 1.215 387 W CB 0.738 30.194 29.460 -0.006 0.000 1.227 387 W HN 0.250 nan 8.180 nan 0.000 0.523 388 P HA -0.105 nan 4.420 nan 0.000 0.264 388 P C 0.800 178.065 177.300 -0.057 0.000 1.183 388 P CA 0.251 63.364 63.100 0.021 0.000 0.763 388 P CB 0.770 32.356 31.700 -0.189 0.000 0.807 389 V N 3.234 123.168 119.914 0.034 0.000 2.407 389 V HA -0.277 3.836 4.120 -0.011 0.000 0.248 389 V C 2.110 178.223 176.094 0.030 0.000 1.055 389 V CA 2.480 64.808 62.300 0.047 0.000 1.049 389 V CB -1.710 30.201 31.823 0.146 0.000 0.662 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.246 117.880 119.070 0.093 0.000 2.456 390 H HA -0.101 4.448 4.556 -0.011 0.000 0.296 390 H C 2.062 177.433 175.328 0.072 0.000 1.079 390 H CA 1.637 57.734 56.048 0.081 0.000 1.322 390 H CB -0.468 29.343 29.762 0.083 0.000 1.388 390 H HN 0.366 nan 8.280 nan 0.000 0.538 391 L N -0.014 121.017 121.223 -0.318 0.000 2.044 391 L HA -0.063 4.270 4.340 -0.011 0.000 0.205 391 L C 2.321 179.119 176.870 -0.119 0.000 1.075 391 L CA 0.882 55.626 54.840 -0.160 0.000 0.747 391 L CB -0.180 41.776 42.059 -0.171 0.000 0.903 391 L HN 0.327 nan 8.230 nan 0.000 0.435 392 L N -0.544 120.592 121.223 -0.145 0.000 2.141 392 L HA -0.229 4.105 4.340 -0.011 0.000 0.209 392 L C 2.485 179.278 176.870 -0.128 0.000 1.094 392 L CA 1.074 55.805 54.840 -0.181 0.000 0.763 392 L CB -0.370 41.578 42.059 -0.184 0.000 0.908 392 L HN 0.348 nan 8.230 nan 0.000 0.437 393 E N -0.508 119.660 120.200 -0.053 0.000 2.110 393 E HA -0.200 4.144 4.350 -0.011 0.000 0.193 393 E C 1.843 178.467 176.600 0.040 0.000 0.988 393 E CA 1.702 58.104 56.400 0.003 0.000 0.804 393 E CB 0.187 29.930 29.700 0.072 0.000 0.745 393 E HN 0.390 nan 8.360 nan 0.000 0.458 394 T N 0.599 115.193 114.554 0.067 0.000 2.901 394 T HA -0.040 4.303 4.350 -0.011 0.000 0.252 394 T C 1.655 176.438 174.700 0.139 0.000 1.035 394 T CA 0.524 62.711 62.100 0.147 0.000 1.142 394 T CB -0.063 68.923 68.868 0.197 0.000 0.869 394 T HN 0.062 nan 8.240 nan 0.000 0.442 395 L N 0.231 121.432 121.223 -0.037 0.000 2.127 395 L HA 0.346 4.679 4.340 -0.011 0.000 0.203 395 L C 0.329 177.119 176.870 -0.134 0.000 1.080 395 L CA 1.585 56.275 54.840 -0.250 0.000 0.768 395 L CB 0.028 41.902 42.059 -0.308 0.000 0.924 395 L HN 0.167 nan 8.230 nan 0.000 0.444 396 L N 0.625 121.732 121.223 -0.193 0.000 2.594 396 L HA 0.295 4.629 4.340 -0.011 0.000 0.245 396 L C -1.642 175.035 176.870 -0.323 0.000 1.460 396 L CA -1.061 53.579 54.840 -0.333 0.000 0.865 396 L CB 0.798 42.493 42.059 -0.606 0.000 1.131 396 L HN -0.065 nan 8.230 nan 0.000 0.506 397 P HA -0.240 nan 4.420 nan 0.000 0.216 397 P C 1.500 178.596 177.300 -0.339 0.000 1.154 397 P CA 1.386 64.358 63.100 -0.214 0.000 0.865 397 P CB 0.346 31.998 31.700 -0.080 0.000 0.789 398 R N -0.622 119.491 120.500 -0.646 0.000 2.092 398 R HA -0.137 4.197 4.340 -0.011 0.000 0.231 398 R C 2.350 178.338 176.300 -0.520 0.000 1.119 398 R CA 1.451 57.186 56.100 -0.608 0.000 0.970 398 R CB -1.241 28.539 30.300 -0.866 0.000 0.864 398 R HN 0.228 nan 8.270 nan 0.000 0.440 399 H N -0.297 118.447 119.070 -0.543 0.000 2.423 399 H HA -0.047 4.502 4.556 -0.011 0.000 0.297 399 H C 1.740 176.887 175.328 -0.300 0.000 1.075 399 H CA 1.587 57.407 56.048 -0.381 0.000 1.342 399 H CB -0.025 29.480 29.762 -0.428 0.000 1.395 399 H HN 0.108 nan 8.280 nan 0.000 0.530 400 L N 0.395 121.483 121.223 -0.225 0.000 2.093 400 L HA -0.215 4.118 4.340 -0.011 0.000 0.208 400 L C 1.795 178.442 176.870 -0.371 0.000 1.085 400 L CA 1.503 56.135 54.840 -0.346 0.000 0.755 400 L CB -0.254 41.614 42.059 -0.319 0.000 0.904 400 L HN 0.422 nan 8.230 nan 0.000 0.435 401 Q N -0.280 119.416 119.800 -0.173 0.000 2.084 401 Q HA -0.220 4.114 4.340 -0.011 0.000 0.202 401 Q C 2.184 178.189 176.000 0.008 0.000 0.978 401 Q CA 1.611 57.405 55.803 -0.014 0.000 0.844 401 Q CB -0.036 28.707 28.738 0.007 0.000 0.898 401 Q HN 0.540 nan 8.270 nan 0.000 0.426 402 I N 0.285 120.842 120.570 -0.022 0.000 2.315 402 I HA -0.265 3.898 4.170 -0.011 0.000 0.248 402 I C 2.048 178.233 176.117 0.114 0.000 1.117 402 I CA 0.981 62.354 61.300 0.120 0.000 1.404 402 I CB -0.106 37.918 38.000 0.039 0.000 1.071 402 I HN 0.206 nan 8.210 nan 0.000 0.419 403 I N -0.586 119.971 120.570 -0.021 0.000 2.315 403 I HA -0.298 3.866 4.170 -0.011 0.000 0.248 403 I C 2.330 178.470 176.117 0.038 0.000 1.117 403 I CA 1.268 62.552 61.300 -0.027 0.000 1.404 403 I CB -0.329 37.588 38.000 -0.139 0.000 1.071 403 I HN 0.160 nan 8.210 nan 0.000 0.419 404 Y N 0.887 121.189 120.300 0.003 0.000 2.200 404 Y HA -0.248 4.296 4.550 -0.011 0.000 0.290 404 Y C 2.597 178.456 175.900 -0.069 0.000 1.137 404 Y CA 1.460 59.548 58.100 -0.020 0.000 1.163 404 Y CB -0.735 37.706 38.460 -0.031 0.000 0.988 404 Y HN 0.217 nan 8.280 nan 0.000 0.518 405 E N 0.372 120.602 120.200 0.051 0.000 2.106 405 E HA -0.127 4.216 4.350 -0.011 0.000 0.192 405 E C 2.003 178.482 176.600 -0.201 0.000 0.984 405 E CA 1.201 57.480 56.400 -0.202 0.000 0.806 405 E CB -0.555 28.871 29.700 -0.457 0.000 0.750 405 E HN 0.474 nan 8.360 nan 0.000 0.458 406 I N 0.619 121.178 120.570 -0.019 0.000 2.202 406 I HA -0.238 3.926 4.170 -0.011 0.000 0.242 406 I C 2.262 178.371 176.117 -0.014 0.000 1.091 406 I CA 1.286 62.541 61.300 -0.076 0.000 1.368 406 I CB -0.350 37.628 38.000 -0.038 0.000 1.058 406 I HN 0.209 nan 8.210 nan 0.000 0.410 407 N N 0.710 119.459 118.700 0.082 0.000 2.069 407 N HA -0.263 4.471 4.740 -0.011 0.000 0.191 407 N C 1.876 177.466 175.510 0.134 0.000 1.031 407 N CA 1.576 54.732 53.050 0.177 0.000 0.852 407 N CB -0.102 38.508 38.487 0.206 0.000 1.018 407 N HN 0.270 nan 8.380 nan 0.000 0.423 408 Q N -0.221 119.599 119.800 0.033 0.000 2.061 408 Q HA -0.112 4.221 4.340 -0.011 0.000 0.204 408 Q C 2.002 177.973 176.000 -0.048 0.000 0.984 408 Q CA 1.548 57.332 55.803 -0.032 0.000 0.846 408 Q CB 0.029 28.705 28.738 -0.103 0.000 0.902 408 Q HN 0.420 nan 8.270 nan 0.000 0.421 409 R N -0.856 119.593 120.500 -0.085 0.000 2.115 409 R HA -0.105 4.228 4.340 -0.011 0.000 0.226 409 R C 2.134 178.453 176.300 0.032 0.000 1.100 409 R CA 1.024 57.074 56.100 -0.084 0.000 0.980 409 R CB -0.328 29.861 30.300 -0.184 0.000 0.875 409 R HN 0.258 nan 8.270 nan 0.000 0.445 410 F N 1.795 121.710 119.950 -0.057 0.000 2.113 410 F HA -0.067 4.453 4.527 -0.011 0.000 0.297 410 F C 1.900 177.718 175.800 0.029 0.000 1.103 410 F CA 1.226 59.241 58.000 0.025 0.000 1.248 410 F CB -0.300 38.747 39.000 0.078 0.000 0.999 410 F HN -0.143 nan 8.300 nan 0.000 0.475 411 L N 0.126 121.306 121.223 -0.072 0.000 2.191 411 L HA -0.248 4.085 4.340 -0.011 0.000 0.212 411 L C 2.007 178.783 176.870 -0.158 0.000 1.103 411 L CA 1.572 56.305 54.840 -0.177 0.000 0.769 411 L CB -0.869 41.170 42.059 -0.034 0.000 0.908 411 L HN 0.282 nan 8.230 nan 0.000 0.438 412 N N -0.357 118.282 118.700 -0.103 0.000 2.244 412 N HA -0.160 4.573 4.740 -0.011 0.000 0.183 412 N C 1.937 177.389 175.510 -0.097 0.000 1.016 412 N CA 0.598 53.597 53.050 -0.085 0.000 0.866 412 N CB 0.052 38.499 38.487 -0.067 0.000 0.980 412 N HN 0.236 nan 8.380 nan 0.000 0.430 413 R N 0.554 120.981 120.500 -0.121 0.000 2.075 413 R HA -0.045 4.289 4.340 -0.011 0.000 0.232 413 R C 2.132 178.338 176.300 -0.155 0.000 1.126 413 R CA 0.815 56.849 56.100 -0.110 0.000 0.963 413 R CB -0.161 30.099 30.300 -0.067 0.000 0.858 413 R HN 0.039 nan 8.270 nan 0.000 0.435 414 V N 0.661 120.422 119.914 -0.255 0.000 2.261 414 V HA -0.254 3.859 4.120 -0.011 0.000 0.246 414 V C 2.369 178.457 176.094 -0.011 0.000 1.047 414 V CA 2.012 64.228 62.300 -0.141 0.000 1.015 414 V CB -0.806 30.846 31.823 -0.285 0.000 0.642 414 V HN 0.456 nan 8.190 nan 0.000 0.446 415 A N 0.108 122.891 122.820 -0.061 0.000 1.908 415 A HA -0.182 4.131 4.320 -0.011 0.000 0.218 415 A C 2.411 179.968 177.584 -0.045 0.000 1.181 415 A CA 2.341 54.360 52.037 -0.030 0.000 0.627 415 A CB -0.849 18.123 19.000 -0.047 0.000 0.818 415 A HN 0.610 nan 8.150 nan 0.000 0.445 416 A N -0.536 122.238 122.820 -0.076 0.000 1.972 416 A HA 0.206 4.520 4.320 -0.011 0.000 0.219 416 A C 2.417 179.908 177.584 -0.156 0.000 1.169 416 A CA 1.988 53.968 52.037 -0.093 0.000 0.635 416 A CB -0.759 18.192 19.000 -0.082 0.000 0.810 416 A HN 1.033 nan 8.150 nan 0.000 0.446 417 A N -1.559 121.119 122.820 -0.236 0.000 1.975 417 A HA 0.354 4.667 4.320 -0.011 0.000 0.215 417 A C 0.510 177.626 177.584 -0.780 0.000 1.170 417 A CA 0.530 52.246 52.037 -0.535 0.000 0.656 417 A CB -0.170 18.415 19.000 -0.692 0.000 0.821 417 A HN 0.433 nan 8.150 nan 0.000 0.449 418 F N 0.098 119.997 119.950 -0.084 0.000 2.531 418 F HA 0.349 4.869 4.527 -0.011 0.000 0.333 418 F C -2.726 173.034 175.800 -0.068 0.000 1.292 418 F CA -2.876 55.079 58.000 -0.075 0.000 1.184 418 F CB 0.668 39.615 39.000 -0.089 0.000 1.426 418 F HN -0.069 nan 8.300 nan 0.000 0.559 419 P HA 0.121 nan 4.420 nan 0.000 0.260 419 P C 1.026 178.342 177.300 0.026 0.000 1.185 419 P CA 1.211 64.317 63.100 0.011 0.000 0.763 419 P CB 0.590 32.279 31.700 -0.018 0.000 0.776 420 G N 2.990 111.799 108.800 0.015 0.000 2.199 420 G HA2 -0.249 3.705 3.960 -0.011 0.000 0.254 420 G HA3 -0.249 3.705 3.960 -0.011 0.000 0.254 420 G C 0.385 175.291 174.900 0.010 0.000 0.982 420 G CA -0.034 45.071 45.100 0.009 0.000 0.632 420 G HN 0.575 nan 8.290 nan 0.000 0.529 421 D N 1.040 121.456 120.400 0.026 0.000 2.600 421 D HA 0.373 5.007 4.640 -0.011 0.000 0.226 421 D C 1.628 177.913 176.300 -0.024 0.000 1.119 421 D CA 0.418 54.419 54.000 0.000 0.000 1.051 421 D CB 0.513 41.314 40.800 0.001 0.000 1.106 421 D HN 0.145 nan 8.370 nan 0.000 0.491 422 V N 2.596 122.497 119.914 -0.020 0.000 2.594 422 V HA -0.216 3.898 4.120 -0.011 0.000 0.253 422 V C 1.655 177.732 176.094 -0.029 0.000 1.069 422 V CA 1.928 64.214 62.300 -0.023 0.000 1.082 422 V CB -0.009 31.805 31.823 -0.015 0.000 0.680 422 V HN 0.362 nan 8.190 nan 0.000 0.469 423 D N -0.598 119.781 120.400 -0.035 0.000 2.234 423 D HA -0.152 4.481 4.640 -0.011 0.000 0.205 423 D C 2.312 178.578 176.300 -0.056 0.000 0.962 423 D CA 0.983 54.962 54.000 -0.034 0.000 0.855 423 D CB -0.155 40.627 40.800 -0.032 0.000 0.951 423 D HN 0.416 nan 8.370 nan 0.000 0.500 424 R N -0.307 120.135 120.500 -0.096 0.000 2.092 424 R HA -0.105 4.228 4.340 -0.011 0.000 0.231 424 R C 1.759 177.976 176.300 -0.137 0.000 1.119 424 R CA 0.763 56.766 56.100 -0.162 0.000 0.970 424 R CB -0.218 29.923 30.300 -0.265 0.000 0.864 424 R HN 0.147 nan 8.270 nan 0.000 0.440 425 L N 1.473 122.640 121.223 -0.092 0.000 2.012 425 L HA -0.172 4.161 4.340 -0.011 0.000 0.210 425 L C 2.527 179.387 176.870 -0.016 0.000 1.073 425 L CA 2.093 56.893 54.840 -0.066 0.000 0.748 425 L CB -0.751 41.281 42.059 -0.044 0.000 0.891 425 L HN 0.305 nan 8.230 nan 0.000 0.431 426 R N -1.307 119.194 120.500 0.002 0.000 2.148 426 R HA -0.045 4.288 4.340 -0.011 0.000 0.223 426 R C 2.168 178.518 176.300 0.082 0.000 1.088 426 R CA 0.950 57.077 56.100 0.044 0.000 0.985 426 R CB -0.577 29.744 30.300 0.034 0.000 0.880 426 R HN 0.156 nan 8.270 nan 0.000 0.451 427 R N 0.144 120.674 120.500 0.051 0.000 2.115 427 R HA 0.133 4.466 4.340 -0.011 0.000 0.226 427 R C 1.947 178.342 176.300 0.159 0.000 1.100 427 R CA 1.638 57.797 56.100 0.097 0.000 0.980 427 R CB -0.112 30.204 30.300 0.027 0.000 0.875 427 R HN 0.315 nan 8.270 nan 0.000 0.445 428 M N -0.000 119.615 119.600 0.026 0.000 2.541 428 M HA 0.031 4.505 4.480 -0.011 0.000 0.252 428 M C 0.843 177.320 176.300 0.296 0.000 1.125 428 M CA 0.039 55.318 55.300 -0.035 0.000 1.091 428 M CB 0.451 32.845 32.600 -0.344 0.000 1.420 428 M HN -0.084 nan 8.290 nan 0.000 0.486 429 S N 0.971 116.843 115.700 0.288 0.000 2.558 429 S HA 0.040 4.504 4.470 -0.011 0.000 0.291 429 S C 1.147 176.028 174.600 0.469 0.000 1.306 429 S CA -0.208 58.191 58.200 0.331 0.000 1.056 429 S CB 0.558 63.886 63.200 0.212 0.000 0.836 429 S HN 0.358 nan 8.310 nan 0.000 0.504 430 L N 3.951 125.402 121.223 0.379 0.000 2.313 430 L HA 0.113 4.446 4.340 -0.011 0.000 0.214 430 L C 0.280 177.268 176.870 0.197 0.000 1.119 430 L CA 0.339 55.358 54.840 0.299 0.000 0.809 430 L CB -0.392 41.786 42.059 0.199 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.845 120.887 119.914 0.214 0.000 2.383 431 V HA 0.177 4.291 4.120 -0.011 0.000 0.275 431 V C 0.054 176.239 176.094 0.151 0.000 1.036 431 V CA -0.557 61.855 62.300 0.186 0.000 0.889 431 V CB 1.403 33.370 31.823 0.241 0.000 0.985 431 V HN 0.172 nan 8.190 nan 0.000 0.459 432 E N 3.170 123.438 120.200 0.114 0.000 2.174 432 E HA 0.403 4.746 4.350 -0.011 0.000 0.282 432 E C -0.639 176.013 176.600 0.086 0.000 0.992 432 E CA -0.530 55.926 56.400 0.093 0.000 0.803 432 E CB 1.838 31.573 29.700 0.059 0.000 1.090 432 E HN 0.619 nan 8.360 nan 0.000 0.396 433 E N 0.982 121.228 120.200 0.077 0.000 2.314 433 E HA 0.637 4.980 4.350 -0.011 0.000 0.262 433 E C 0.179 176.813 176.600 0.057 0.000 1.093 433 E CA 0.370 56.809 56.400 0.065 0.000 0.908 433 E CB 1.469 31.201 29.700 0.052 0.000 1.091 433 E HN 0.641 nan 8.360 nan 0.000 0.425 434 G N -0.073 108.759 108.800 0.053 0.000 2.291 434 G HA2 0.224 4.177 3.960 -0.011 0.000 0.249 434 G HA3 0.224 4.177 3.960 -0.011 0.000 0.249 434 G C 0.539 175.469 174.900 0.049 0.000 1.340 434 G CA 0.317 45.445 45.100 0.047 0.000 1.017 434 G HN 0.659 nan 8.290 nan 0.000 0.470 435 A N -0.809 122.039 122.820 0.047 0.000 1.870 435 A HA 0.234 4.548 4.320 -0.011 0.000 0.219 435 A C 1.848 179.469 177.584 0.061 0.000 1.286 435 A CA 4.635 56.700 52.037 0.047 0.000 0.682 435 A CB -1.291 17.737 19.000 0.047 0.000 0.844 435 A HN 2.434 nan 8.150 nan 0.000 0.460 436 V N -2.691 117.273 119.914 0.083 0.000 2.680 436 V HA 0.579 4.692 4.120 -0.011 0.000 0.309 436 V C -0.542 175.625 176.094 0.122 0.000 1.052 436 V CA -1.343 61.029 62.300 0.119 0.000 0.908 436 V CB 1.708 33.634 31.823 0.173 0.000 1.001 436 V HN 0.428 nan 8.190 nan 0.000 0.431 437 K N 4.138 124.620 120.400 0.137 0.000 2.326 437 K HA 0.510 4.823 4.320 -0.011 0.000 0.275 437 K C -0.431 176.248 176.600 0.132 0.000 1.018 437 K CA -0.255 56.110 56.287 0.130 0.000 0.962 437 K CB 0.959 33.548 32.500 0.147 0.000 0.953 437 K HN 0.733 nan 8.250 nan 0.000 0.475 438 R N 1.067 121.633 120.500 0.109 0.000 2.836 438 R HA 0.497 4.830 4.340 -0.011 0.000 0.269 438 R C -0.731 175.617 176.300 0.079 0.000 1.010 438 R CA -1.007 55.147 56.100 0.090 0.000 0.930 438 R CB 1.313 31.646 30.300 0.056 0.000 1.218 438 R HN 0.379 nan 8.270 nan 0.000 0.473 439 I N 1.866 122.476 120.570 0.067 0.000 2.362 439 I HA 0.174 4.338 4.170 -0.011 0.000 0.289 439 I C -0.344 175.761 176.117 -0.020 0.000 0.994 439 I CA -0.772 60.555 61.300 0.045 0.000 1.158 439 I CB 1.305 39.331 38.000 0.043 0.000 1.315 439 I HN 0.500 nan 8.210 nan 0.000 0.451 440 N N 7.140 125.796 118.700 -0.074 0.000 2.415 440 N HA 0.077 4.810 4.740 -0.011 0.000 0.250 440 N C 0.909 176.314 175.510 -0.176 0.000 1.127 440 N CA -0.325 52.595 53.050 -0.217 0.000 0.945 440 N CB 0.886 39.090 38.487 -0.471 0.000 1.196 440 N HN 0.377 nan 8.380 nan 0.000 0.499 441 M N 2.323 121.828 119.600 -0.158 0.000 2.279 441 M HA -0.101 4.373 4.480 -0.011 0.000 0.264 441 M C 1.938 178.099 176.300 -0.232 0.000 1.062 441 M CA 0.800 56.023 55.300 -0.130 0.000 1.099 441 M CB -1.565 30.998 32.600 -0.062 0.000 1.394 441 M HN 0.593 nan 8.290 nan 0.000 0.426 442 A N -0.752 121.920 122.820 -0.246 0.000 1.930 442 A HA -0.164 4.150 4.320 -0.011 0.000 0.217 442 A C 1.973 179.340 177.584 -0.362 0.000 1.175 442 A CA 1.386 53.240 52.037 -0.305 0.000 0.627 442 A CB -1.088 17.912 19.000 -0.000 0.000 0.815 442 A HN 0.613 nan 8.150 nan 0.000 0.443 443 H N -1.152 117.711 119.070 -0.345 0.000 2.423 443 H HA 0.024 4.574 4.556 -0.011 0.000 0.297 443 H C 2.087 177.212 175.328 -0.338 0.000 1.075 443 H CA 0.781 56.591 56.048 -0.397 0.000 1.342 443 H CB 0.010 29.744 29.762 -0.046 0.000 1.395 443 H HN 0.376 nan 8.280 nan 0.000 0.530 444 L N 0.318 121.468 121.223 -0.123 0.000 2.017 444 L HA -0.219 4.114 4.340 -0.011 0.000 0.208 444 L C 2.205 178.952 176.870 -0.206 0.000 1.073 444 L CA 1.284 56.053 54.840 -0.117 0.000 0.745 444 L CB -0.387 41.624 42.059 -0.080 0.000 0.894 444 L HN 0.436 nan 8.230 nan 0.000 0.432 445 C N 0.074 119.148 119.300 -0.377 0.000 2.429 445 C HA -0.176 4.277 4.460 -0.011 0.000 0.277 445 C C 2.673 177.429 174.990 -0.391 0.000 1.262 445 C CA 0.627 59.345 59.018 -0.500 0.000 1.733 445 C CB -0.764 26.296 27.740 -1.133 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.337 121.637 120.570 -0.451 0.000 2.226 446 I HA -0.197 3.966 4.170 -0.011 0.000 0.245 446 I C 2.735 178.710 176.117 -0.237 0.000 1.100 446 I CA 1.644 62.724 61.300 -0.367 0.000 1.374 446 I CB -0.511 37.140 38.000 -0.581 0.000 1.057 446 I HN 0.272 nan 8.210 nan 0.000 0.413 447 A N 0.479 123.136 122.820 -0.272 0.000 1.933 447 A HA -0.083 4.231 4.320 -0.011 0.000 0.218 447 A C 2.238 179.857 177.584 0.059 0.000 1.175 447 A CA 1.825 53.737 52.037 -0.209 0.000 0.628 447 A CB -1.135 17.564 19.000 -0.502 0.000 0.814 447 A HN 0.472 nan 8.150 nan 0.000 0.444 448 G N -1.139 107.647 108.800 -0.023 0.000 3.189 448 G HA2 0.396 4.349 3.960 -0.011 0.000 0.225 448 G HA3 0.396 4.349 3.960 -0.011 0.000 0.225 448 G C 0.163 174.900 174.900 -0.271 0.000 1.159 448 G CA 0.503 45.464 45.100 -0.232 0.000 0.763 448 G HN 0.362 nan 8.290 nan 0.000 0.549 449 S N -0.197 115.405 115.700 -0.164 0.000 2.532 449 S HA 0.320 4.783 4.470 -0.011 0.000 0.301 449 S C 0.694 175.250 174.600 -0.074 0.000 1.083 449 S CA -0.700 57.432 58.200 -0.114 0.000 1.025 449 S CB 1.242 64.384 63.200 -0.098 0.000 1.056 449 S HN 0.506 nan 8.310 nan 0.000 0.494 450 H N -0.165 118.868 119.070 -0.061 0.000 2.539 450 H HA 0.530 5.079 4.556 -0.011 0.000 0.267 450 H C 0.024 175.344 175.328 -0.014 0.000 0.982 450 H CA 0.171 56.209 56.048 -0.016 0.000 1.146 450 H CB 0.100 29.861 29.762 -0.001 0.000 1.382 450 H HN 0.529 nan 8.280 nan 0.000 0.577 451 A N 0.790 123.345 122.820 -0.442 0.000 2.517 451 A HA 0.540 4.854 4.320 -0.011 0.000 0.297 451 A C -1.538 175.852 177.584 -0.323 0.000 1.050 451 A CA -0.560 51.250 52.037 -0.379 0.000 0.694 451 A CB 2.024 20.750 19.000 -0.457 0.000 1.277 451 A HN 0.095 nan 8.150 nan 0.000 0.400 452 V N 4.201 123.887 119.914 -0.379 0.000 2.577 452 V HA 0.550 4.664 4.120 -0.011 0.000 0.303 452 V C -0.678 175.230 176.094 -0.310 0.000 1.042 452 V CA -0.748 61.317 62.300 -0.392 0.000 0.872 452 V CB 1.821 33.267 31.823 -0.627 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.018 121.550 118.700 -0.280 0.000 2.312 453 N HA 0.643 5.376 4.740 -0.011 0.000 0.296 453 N C -0.292 175.125 175.510 -0.154 0.000 1.193 453 N CA -0.398 52.536 53.050 -0.193 0.000 0.773 453 N CB 2.915 41.262 38.487 -0.233 0.000 1.435 453 N HN 0.640 nan 8.380 nan 0.000 0.484 454 G N -0.946 107.805 108.800 -0.082 0.000 2.511 454 G HA2 0.430 4.383 3.960 -0.011 0.000 0.316 454 G HA3 0.430 4.383 3.960 -0.011 0.000 0.316 454 G C 0.774 175.751 174.900 0.128 0.000 1.210 454 G CA -0.555 44.564 45.100 0.031 0.000 0.969 454 G HN 0.588 nan 8.290 nan 0.000 0.492 455 V N -3.486 116.605 119.914 0.296 0.000 3.578 455 V HA 0.677 4.791 4.120 -0.011 0.000 0.290 455 V C 0.633 176.808 176.094 0.134 0.000 1.376 455 V CA 0.411 62.793 62.300 0.137 0.000 1.083 455 V CB -0.794 31.056 31.823 0.045 0.000 0.911 455 V HN 1.299 nan 8.190 nan 0.000 0.433 456 A N -0.221 122.691 122.820 0.153 0.000 2.594 456 A HA 0.622 4.935 4.320 -0.011 0.000 0.296 456 A C 0.712 178.348 177.584 0.087 0.000 1.061 456 A CA -0.175 51.930 52.037 0.114 0.000 0.689 456 A CB 1.222 20.280 19.000 0.097 0.000 1.280 456 A HN 0.005 nan 8.150 nan 0.000 0.406 457 R N 0.854 121.384 120.500 0.050 0.000 2.113 457 R HA -0.192 4.141 4.340 -0.011 0.000 0.244 457 R C 1.736 178.035 176.300 -0.001 0.000 1.142 457 R CA 2.409 58.516 56.100 0.012 0.000 0.953 457 R CB -0.250 30.052 30.300 0.003 0.000 0.860 457 R HN 0.842 nan 8.270 nan 0.000 0.438 458 I N 0.041 120.620 120.570 0.014 0.000 2.315 458 I HA -0.280 3.884 4.170 -0.011 0.000 0.248 458 I C 2.316 178.441 176.117 0.014 0.000 1.117 458 I CA 1.906 63.206 61.300 -0.000 0.000 1.404 458 I CB -0.238 37.761 38.000 -0.000 0.000 1.071 458 I HN 0.325 nan 8.210 nan 0.000 0.419 459 H N 0.230 119.273 119.070 -0.045 0.000 2.357 459 H HA -0.096 4.453 4.556 -0.011 0.000 0.301 459 H C 2.203 177.496 175.328 -0.059 0.000 1.082 459 H CA 2.097 58.113 56.048 -0.053 0.000 1.342 459 H CB -0.219 29.518 29.762 -0.040 0.000 1.389 459 H HN 0.252 nan 8.280 nan 0.000 0.511 460 S N 0.063 115.651 115.700 -0.186 0.000 2.402 460 S HA -0.101 4.362 4.470 -0.011 0.000 0.229 460 S C 1.831 176.304 174.600 -0.211 0.000 1.021 460 S CA 1.094 59.156 58.200 -0.230 0.000 0.974 460 S CB -0.043 63.096 63.200 -0.101 0.000 0.800 460 S HN 0.474 nan 8.310 nan 0.000 0.484 461 E N 1.071 121.172 120.200 -0.166 0.000 2.107 461 E HA 0.067 4.410 4.350 -0.011 0.000 0.191 461 E C 1.967 178.448 176.600 -0.199 0.000 0.982 461 E CA 0.514 56.808 56.400 -0.177 0.000 0.809 461 E CB -0.317 29.311 29.700 -0.119 0.000 0.756 461 E HN 0.485 nan 8.360 nan 0.000 0.459 462 I N 0.940 121.404 120.570 -0.176 0.000 2.286 462 I HA -0.260 3.903 4.170 -0.011 0.000 0.248 462 I C 2.316 178.295 176.117 -0.229 0.000 1.115 462 I CA 0.713 61.913 61.300 -0.167 0.000 1.392 462 I CB -0.120 37.812 38.000 -0.113 0.000 1.065 462 I HN 0.059 nan 8.210 nan 0.000 0.418 463 L N 0.202 121.248 121.223 -0.295 0.000 2.046 463 L HA -0.238 4.095 4.340 -0.011 0.000 0.208 463 L C 2.477 179.205 176.870 -0.236 0.000 1.077 463 L CA 1.577 56.248 54.840 -0.281 0.000 0.747 463 L CB -0.565 41.392 42.059 -0.168 0.000 0.896 463 L HN 0.205 nan 8.230 nan 0.000 0.432 464 K N -0.092 120.101 120.400 -0.345 0.000 2.155 464 K HA -0.119 4.194 4.320 -0.011 0.000 0.203 464 K C 2.100 178.485 176.600 -0.357 0.000 1.052 464 K CA 0.984 56.928 56.287 -0.571 0.000 0.948 464 K CB 0.083 32.023 32.500 -0.932 0.000 0.728 464 K HN 0.244 nan 8.250 nan 0.000 0.448 465 K N -0.312 119.937 120.400 -0.251 0.000 2.211 465 K HA 0.016 4.330 4.320 -0.011 0.000 0.201 465 K C 1.411 177.947 176.600 -0.107 0.000 1.052 465 K CA 1.012 57.209 56.287 -0.150 0.000 0.973 465 K CB 0.413 32.836 32.500 -0.127 0.000 0.766 465 K HN 0.061 nan 8.250 nan 0.000 0.466 466 T N 0.556 115.033 114.554 -0.128 0.000 3.166 466 T HA 0.062 4.405 4.350 -0.011 0.000 0.182 466 T C 1.557 176.191 174.700 -0.110 0.000 0.810 466 T CA -0.345 61.691 62.100 -0.106 0.000 1.441 466 T CB -0.444 68.356 68.868 -0.114 0.000 2.201 466 T HN -0.072 nan 8.240 nan 0.000 0.414 467 I N 1.022 121.463 120.570 -0.215 0.000 2.121 467 I HA -0.193 3.971 4.170 -0.011 0.000 0.243 467 I C 0.829 176.837 176.117 -0.182 0.000 1.047 467 I CA 1.904 63.002 61.300 -0.338 0.000 1.308 467 I CB -0.185 37.387 38.000 -0.713 0.000 1.015 467 I HN 0.378 nan 8.210 nan 0.000 0.410 468 F N -0.372 119.636 119.950 0.096 0.000 2.850 468 F HA 0.220 4.740 4.527 -0.011 0.000 0.306 468 F C 1.764 177.648 175.800 0.141 0.000 1.162 468 F CA -0.478 57.654 58.000 0.220 0.000 1.327 468 F CB -0.172 38.975 39.000 0.244 0.000 0.953 468 F HN -0.101 nan 8.300 nan 0.000 0.507 469 K N 0.967 121.472 120.400 0.176 0.000 2.044 469 K HA -0.216 4.098 4.320 -0.011 0.000 0.210 469 K C 1.258 177.912 176.600 0.089 0.000 1.049 469 K CA 2.074 58.409 56.287 0.080 0.000 0.927 469 K CB -0.020 32.492 32.500 0.020 0.000 0.713 469 K HN 0.235 nan 8.250 nan 0.000 0.443 470 D N -0.232 120.198 120.400 0.051 0.000 2.144 470 D HA -0.149 4.484 4.640 -0.011 0.000 0.199 470 D C 1.804 178.007 176.300 -0.161 0.000 0.984 470 D CA 1.151 55.049 54.000 -0.170 0.000 0.834 470 D CB -0.279 40.318 40.800 -0.339 0.000 0.955 470 D HN 0.223 nan 8.370 nan 0.000 0.465 471 F N -0.222 119.805 119.950 0.129 0.000 2.206 471 F HA -0.127 4.393 4.527 -0.011 0.000 0.298 471 F C 2.312 178.268 175.800 0.261 0.000 1.090 471 F CA 0.453 58.615 58.000 0.269 0.000 1.323 471 F CB -0.597 38.640 39.000 0.395 0.000 1.028 471 F HN -0.041 nan 8.300 nan 0.000 0.492 472 Y N 1.400 121.680 120.300 -0.033 0.000 2.181 472 Y HA -0.187 4.356 4.550 -0.011 0.000 0.288 472 Y C 2.113 177.993 175.900 -0.034 0.000 1.146 472 Y CA 1.600 59.480 58.100 -0.367 0.000 1.164 472 Y CB -0.630 37.433 38.460 -0.662 0.000 0.982 472 Y HN 0.130 nan 8.280 nan 0.000 0.515 473 E N -0.112 120.026 120.200 -0.102 0.000 2.150 473 E HA -0.193 4.151 4.350 -0.011 0.000 0.193 473 E C 2.258 178.909 176.600 0.085 0.000 0.985 473 E CA 0.987 57.338 56.400 -0.082 0.000 0.814 473 E CB -0.206 29.490 29.700 -0.007 0.000 0.752 473 E HN 0.445 nan 8.360 nan 0.000 0.466 474 L N 0.845 122.163 121.223 0.158 0.000 2.023 474 L HA -0.086 4.247 4.340 -0.011 0.000 0.205 474 L C 0.171 177.121 176.870 0.134 0.000 1.073 474 L CA 1.493 56.468 54.840 0.225 0.000 0.745 474 L CB 0.093 42.288 42.059 0.227 0.000 0.900 474 L HN 0.074 nan 8.230 nan 0.000 0.435 475 E N 0.008 120.279 120.200 0.119 0.000 2.914 475 E HA 0.178 4.522 4.350 -0.011 0.000 0.246 475 E C -2.015 174.505 176.600 -0.134 0.000 1.146 475 E CA -1.496 54.858 56.400 -0.077 0.000 0.803 475 E CB 0.990 30.622 29.700 -0.113 0.000 1.409 475 E HN 0.182 nan 8.360 nan 0.000 0.392 476 P HA -0.251 nan 4.420 nan 0.000 0.218 476 P C 1.200 178.595 177.300 0.158 0.000 1.148 476 P CA 1.405 64.416 63.100 -0.149 0.000 0.822 476 P CB -0.116 31.367 31.700 -0.361 0.000 0.784 477 H N 0.108 119.286 119.070 0.181 0.000 2.489 477 H HA 0.065 4.614 4.556 -0.011 0.000 0.293 477 H C 1.475 176.893 175.328 0.150 0.000 1.066 477 H CA 0.773 56.914 56.048 0.154 0.000 1.305 477 H CB -0.579 29.243 29.762 0.100 0.000 1.386 477 H HN 0.157 nan 8.280 nan 0.000 0.551 478 K N 0.468 120.809 120.400 -0.098 0.000 2.155 478 K HA 0.027 4.340 4.320 -0.011 0.000 0.203 478 K C -0.033 176.440 176.600 -0.211 0.000 1.052 478 K CA 0.328 56.527 56.287 -0.147 0.000 0.948 478 K CB 0.052 32.327 32.500 -0.376 0.000 0.728 478 K HN 0.107 nan 8.250 nan 0.000 0.448 479 F N 2.151 122.137 119.950 0.060 0.000 2.472 479 F HA 0.104 4.624 4.527 -0.011 0.000 0.364 479 F C 0.607 176.410 175.800 0.005 0.000 1.090 479 F CA -0.035 57.993 58.000 0.048 0.000 1.188 479 F CB 0.656 39.731 39.000 0.126 0.000 1.105 479 F HN -0.034 nan 8.300 nan 0.000 0.536 480 Q N 1.925 121.754 119.800 0.048 0.000 2.683 480 Q HA 0.418 4.751 4.340 -0.011 0.000 0.302 480 Q C -1.230 174.729 176.000 -0.069 0.000 1.042 480 Q CA -1.341 54.445 55.803 -0.027 0.000 0.773 480 Q CB 2.846 31.515 28.738 -0.114 0.000 1.508 480 Q HN 0.620 nan 8.270 nan 0.000 0.459 481 N N 0.307 118.946 118.700 -0.102 0.000 2.225 481 N HA 0.281 5.014 4.740 -0.011 0.000 0.298 481 N C -1.603 173.812 175.510 -0.158 0.000 1.076 481 N CA -0.411 52.579 53.050 -0.100 0.000 0.792 481 N CB 1.381 39.834 38.487 -0.058 0.000 1.498 481 N HN 0.317 nan 8.380 nan 0.000 0.474 482 K N 2.576 122.893 120.400 -0.139 0.000 2.764 482 K HA 0.187 4.500 4.320 -0.011 0.000 0.239 482 K C -1.009 175.616 176.600 0.042 0.000 1.048 482 K CA -0.472 55.717 56.287 -0.163 0.000 1.057 482 K CB 1.209 33.401 32.500 -0.514 0.000 1.251 482 K HN 0.558 nan 8.250 nan 0.000 0.524 483 T N 2.000 116.592 114.554 0.063 0.000 2.928 483 T HA 0.061 4.405 4.350 -0.011 0.000 0.305 483 T C 0.827 175.663 174.700 0.227 0.000 1.035 483 T CA 0.342 62.527 62.100 0.141 0.000 1.145 483 T CB 0.360 69.310 68.868 0.136 0.000 0.963 483 T HN 0.352 nan 8.240 nan 0.000 0.545 484 N N 0.426 119.277 118.700 0.251 0.000 2.260 484 N HA 0.446 5.179 4.740 -0.011 0.000 0.230 484 N C 0.477 176.173 175.510 0.309 0.000 1.323 484 N CA -0.294 52.931 53.050 0.293 0.000 0.897 484 N CB 0.405 39.003 38.487 0.185 0.000 1.146 484 N HN 0.763 nan 8.380 nan 0.000 0.460 485 G N -0.785 108.199 108.800 0.305 0.000 2.645 485 G HA2 0.592 4.545 3.960 -0.011 0.000 0.292 485 G HA3 0.592 4.545 3.960 -0.011 0.000 0.292 485 G C -1.486 173.548 174.900 0.223 0.000 1.415 485 G CA -0.744 44.528 45.100 0.288 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.518 118.177 120.570 0.208 0.000 2.934 486 I HA 0.763 4.927 4.170 -0.011 0.000 0.306 486 I C -0.265 176.020 176.117 0.279 0.000 1.110 486 I CA -0.997 60.430 61.300 0.212 0.000 1.019 486 I CB 2.422 40.451 38.000 0.049 0.000 1.227 486 I HN 0.498 nan 8.210 nan 0.000 0.434 487 T N 3.802 118.574 114.554 0.363 0.000 2.761 487 T HA 0.365 4.709 4.350 -0.011 0.000 0.296 487 T C -1.437 173.371 174.700 0.180 0.000 0.934 487 T CA -1.677 60.546 62.100 0.205 0.000 1.091 487 T CB 0.766 69.691 68.868 0.095 0.000 0.896 487 T HN 0.617 nan 8.240 nan 0.000 0.515 488 P HA 0.017 nan 4.420 nan 0.000 0.230 488 P C 1.117 178.384 177.300 -0.056 0.000 1.158 488 P CA 0.417 63.551 63.100 0.057 0.000 0.769 488 P CB 0.366 32.083 31.700 0.028 0.000 0.807 489 R N 0.386 120.803 120.500 -0.138 0.000 2.060 489 R HA 0.016 4.349 4.340 -0.011 0.000 0.225 489 R C 2.718 178.897 176.300 -0.201 0.000 1.155 489 R CA 1.530 57.504 56.100 -0.210 0.000 0.930 489 R CB -1.119 29.055 30.300 -0.210 0.000 0.829 489 R HN 0.033 nan 8.270 nan 0.000 0.433 490 R N -0.727 119.590 120.500 -0.305 0.000 2.092 490 R HA -0.105 4.228 4.340 -0.011 0.000 0.231 490 R C 1.026 176.995 176.300 -0.552 0.000 1.119 490 R CA 1.473 57.255 56.100 -0.531 0.000 0.970 490 R CB -0.173 29.622 30.300 -0.841 0.000 0.864 490 R HN 0.305 nan 8.270 nan 0.000 0.440 491 W N 0.198 121.453 121.300 -0.074 0.000 3.434 491 W HA 0.129 4.782 4.660 -0.012 0.000 0.297 491 W C 0.872 177.360 176.519 -0.053 0.000 1.295 491 W CA -0.715 56.586 57.345 -0.074 0.000 1.731 491 W CB 0.382 29.803 29.460 -0.065 0.000 1.070 491 W HN 0.241 nan 8.180 nan 0.000 0.726 492 L N -2.518 118.764 121.223 0.098 0.000 2.208 492 L HA 0.137 4.470 4.340 -0.011 0.000 0.133 492 L C 1.751 178.640 176.870 0.031 0.000 1.385 492 L CA 0.655 55.546 54.840 0.086 0.000 1.030 492 L CB -0.855 41.275 42.059 0.119 0.000 2.075 492 L HN -0.268 nan 8.230 nan 0.000 0.482 493 V N 1.329 121.239 119.914 -0.007 0.000 2.287 493 V HA -0.285 3.828 4.120 -0.011 0.000 0.248 493 V C 2.429 178.501 176.094 -0.038 0.000 1.053 493 V CA 2.535 64.822 62.300 -0.023 0.000 1.027 493 V CB -0.749 31.032 31.823 -0.069 0.000 0.646 493 V HN 0.515 nan 8.190 nan 0.000 0.447 494 L N 0.470 121.643 121.223 -0.084 0.000 1.988 494 L HA -0.187 4.147 4.340 -0.011 0.000 0.207 494 L C 2.550 179.368 176.870 -0.086 0.000 1.071 494 L CA 2.414 57.190 54.840 -0.107 0.000 0.744 494 L CB -0.311 41.633 42.059 -0.193 0.000 0.893 494 L HN 0.651 nan 8.230 nan 0.000 0.433 495 C N -1.786 117.461 119.300 -0.087 0.000 2.514 495 C HA 0.165 4.618 4.460 -0.011 0.000 0.271 495 C C 1.225 176.211 174.990 -0.008 0.000 1.399 495 C CA -0.245 58.744 59.018 -0.048 0.000 1.765 495 C CB -1.082 26.644 27.740 -0.024 0.000 1.893 495 C HN 0.583 nan 8.230 nan 0.000 0.531 496 N N 1.144 119.847 118.700 0.006 0.000 2.733 496 N HA 0.292 5.025 4.740 -0.011 0.000 0.271 496 N C -1.812 173.714 175.510 0.027 0.000 1.720 496 N CA -1.628 51.434 53.050 0.020 0.000 0.803 496 N CB 0.783 39.290 38.487 0.033 0.000 1.208 496 N HN 0.238 nan 8.380 nan 0.000 0.498 497 P HA -0.039 nan 4.420 nan 0.000 0.218 497 P C 1.405 178.724 177.300 0.032 0.000 1.149 497 P CA 0.909 64.024 63.100 0.025 0.000 0.817 497 P CB 0.235 31.943 31.700 0.013 0.000 0.785 498 G N 0.585 109.399 108.800 0.023 0.000 2.440 498 G HA2 -0.248 3.705 3.960 -0.011 0.000 0.218 498 G HA3 -0.248 3.705 3.960 -0.011 0.000 0.218 498 G C 1.517 176.427 174.900 0.017 0.000 1.154 498 G CA 0.730 45.840 45.100 0.017 0.000 0.767 498 G HN 0.268 nan 8.290 nan 0.000 0.552 499 L N 1.133 122.367 121.223 0.019 0.000 2.072 499 L HA 0.314 4.647 4.340 -0.011 0.000 0.205 499 L C 3.022 179.924 176.870 0.053 0.000 1.079 499 L CA 1.950 56.799 54.840 0.014 0.000 0.752 499 L CB -0.649 41.418 42.059 0.014 0.000 0.906 499 L HN 0.211 nan 8.230 nan 0.000 0.436 500 A N -0.644 122.230 122.820 0.090 0.000 1.933 500 A HA -0.248 4.065 4.320 -0.011 0.000 0.218 500 A C 2.229 179.912 177.584 0.165 0.000 1.175 500 A CA 1.774 53.915 52.037 0.174 0.000 0.628 500 A CB -0.665 18.428 19.000 0.155 0.000 0.814 500 A HN 0.558 nan 8.150 nan 0.000 0.444 501 E N 0.791 121.049 120.200 0.097 0.000 2.028 501 E HA -0.172 4.172 4.350 -0.011 0.000 0.191 501 E C 1.854 178.498 176.600 0.074 0.000 0.988 501 E CA 1.682 58.129 56.400 0.079 0.000 0.799 501 E CB -0.535 29.193 29.700 0.047 0.000 0.755 501 E HN 0.733 nan 8.360 nan 0.000 0.447 502 I N -1.648 118.959 120.570 0.063 0.000 2.454 502 I HA -0.143 4.020 4.170 -0.011 0.000 0.254 502 I C 2.170 178.376 176.117 0.148 0.000 1.156 502 I CA 1.125 62.478 61.300 0.089 0.000 1.433 502 I CB -0.346 37.684 38.000 0.050 0.000 1.082 502 I HN 0.044 nan 8.210 nan 0.000 0.432 503 I N 1.920 122.552 120.570 0.102 0.000 2.233 503 I HA -0.186 3.977 4.170 -0.011 0.000 0.243 503 I C 3.018 179.097 176.117 -0.064 0.000 1.093 503 I CA 1.328 62.625 61.300 -0.005 0.000 1.380 503 I CB -0.425 37.455 38.000 -0.199 0.000 1.067 503 I HN 0.300 nan 8.210 nan 0.000 0.413 504 A N 0.278 123.145 122.820 0.077 0.000 1.933 504 A HA -0.240 4.073 4.320 -0.011 0.000 0.218 504 A C 2.153 179.766 177.584 0.048 0.000 1.175 504 A CA 1.654 53.780 52.037 0.149 0.000 0.628 504 A CB -0.608 18.515 19.000 0.205 0.000 0.814 504 A HN 0.434 nan 8.150 nan 0.000 0.444 505 E N -0.721 119.491 120.200 0.020 0.000 2.160 505 E HA -0.201 4.142 4.350 -0.011 0.000 0.195 505 E C 2.243 178.801 176.600 -0.070 0.000 0.991 505 E CA 1.230 57.625 56.400 -0.009 0.000 0.810 505 E CB -0.013 29.689 29.700 0.003 0.000 0.742 505 E HN 0.541 nan 8.360 nan 0.000 0.466 506 R N -0.069 120.329 120.500 -0.170 0.000 2.123 506 R HA 0.093 4.426 4.340 -0.011 0.000 0.209 506 R C 2.282 178.476 176.300 -0.177 0.000 1.078 506 R CA 0.811 56.721 56.100 -0.316 0.000 1.028 506 R CB -0.217 29.553 30.300 -0.884 0.000 0.939 506 R HN 0.285 nan 8.270 nan 0.000 0.463 507 I N -2.402 118.084 120.570 -0.139 0.000 4.025 507 I HA 0.448 4.611 4.170 -0.011 0.000 0.336 507 I C 0.418 176.571 176.117 0.059 0.000 1.390 507 I CA 0.034 61.315 61.300 -0.032 0.000 1.099 507 I CB 0.833 38.798 38.000 -0.059 0.000 1.049 507 I HN 0.192 nan 8.210 nan 0.000 0.394 508 G N 1.903 110.752 108.800 0.081 0.000 2.685 508 G HA2 -0.207 3.746 3.960 -0.011 0.000 0.387 508 G HA3 -0.207 3.746 3.960 -0.011 0.000 0.387 508 G C -0.088 174.958 174.900 0.244 0.000 1.324 508 G CA 0.091 45.268 45.100 0.127 0.000 0.878 508 G HN 0.423 nan 8.290 nan 0.000 0.527 509 E N -0.112 120.177 120.200 0.148 0.000 2.472 509 E HA 0.100 4.443 4.350 -0.011 0.000 0.196 509 E C 1.958 178.526 176.600 -0.052 0.000 1.033 509 E CA 0.414 56.842 56.400 0.048 0.000 0.886 509 E CB 0.256 29.972 29.700 0.025 0.000 0.944 509 E HN 0.657 nan 8.360 nan 0.000 0.492 510 E N 0.357 120.590 120.200 0.055 0.000 2.265 510 E HA -0.209 4.134 4.350 -0.011 0.000 0.196 510 E C 1.598 178.203 176.600 0.009 0.000 0.996 510 E CA 0.962 57.383 56.400 0.035 0.000 0.832 510 E CB -0.225 29.515 29.700 0.067 0.000 0.756 510 E HN 0.506 nan 8.360 nan 0.000 0.491 511 Y N -0.010 120.299 120.300 0.016 0.000 2.403 511 Y HA -0.115 4.429 4.550 -0.010 0.000 0.291 511 Y C 1.830 177.712 175.900 -0.029 0.000 1.143 511 Y CA 0.439 58.540 58.100 0.002 0.000 1.257 511 Y CB -0.279 38.186 38.460 0.008 0.000 0.984 511 Y HN -0.075 nan 8.280 nan 0.000 0.550 512 I N 1.191 121.287 120.570 -0.790 0.000 2.335 512 I HA -0.222 3.941 4.170 -0.011 0.000 0.251 512 I C 1.615 177.484 176.117 -0.414 0.000 1.129 512 I CA 1.809 62.697 61.300 -0.687 0.000 1.402 512 I CB -1.398 36.126 38.000 -0.793 0.000 1.069 512 I HN 0.517 nan 8.210 nan 0.000 0.424 513 S N -1.403 114.159 115.700 -0.229 0.000 2.663 513 S HA 0.210 4.673 4.470 -0.011 0.000 0.243 513 S C 0.255 174.841 174.600 -0.023 0.000 1.009 513 S CA -0.418 57.724 58.200 -0.098 0.000 0.988 513 S CB 0.391 63.605 63.200 0.024 0.000 0.896 513 S HN 0.308 nan 8.310 nan 0.000 0.502 514 D N 0.884 121.279 120.400 -0.008 0.000 3.285 514 D HA 0.216 4.849 4.640 -0.011 0.000 0.273 514 D C 0.716 177.065 176.300 0.081 0.000 1.295 514 D CA -0.338 53.684 54.000 0.036 0.000 0.762 514 D CB -0.197 40.630 40.800 0.044 0.000 1.379 514 D HN 0.103 nan 8.370 nan 0.000 0.612 515 L N 0.324 121.597 121.223 0.082 0.000 2.270 515 L HA -0.161 4.172 4.340 -0.011 0.000 0.217 515 L C 1.099 178.028 176.870 0.100 0.000 1.107 515 L CA 1.299 56.218 54.840 0.131 0.000 0.772 515 L CB 0.024 42.149 42.059 0.110 0.000 0.902 515 L HN 0.312 nan 8.230 nan 0.000 0.439 516 D N -0.375 120.060 120.400 0.058 0.000 2.221 516 D HA -0.213 4.421 4.640 -0.011 0.000 0.204 516 D C 2.017 178.343 176.300 0.044 0.000 0.982 516 D CA 0.916 54.935 54.000 0.032 0.000 0.857 516 D CB -0.008 40.798 40.800 0.011 0.000 0.934 516 D HN 0.509 nan 8.370 nan 0.000 0.475 517 Q N -0.186 119.657 119.800 0.072 0.000 2.439 517 Q HA -0.106 4.227 4.340 -0.011 0.000 0.211 517 Q C 1.755 177.777 176.000 0.036 0.000 0.978 517 Q CA 0.112 55.956 55.803 0.069 0.000 0.897 517 Q CB 0.080 28.888 28.738 0.117 0.000 0.956 517 Q HN 0.186 nan 8.270 nan 0.000 0.483 518 L N 0.621 121.861 121.223 0.029 0.000 2.275 518 L HA -0.144 4.189 4.340 -0.011 0.000 0.215 518 L C 2.047 178.918 176.870 0.001 0.000 1.119 518 L CA 1.461 56.284 54.840 -0.028 0.000 0.790 518 L CB -0.426 41.634 42.059 0.001 0.000 0.919 518 L HN 0.122 nan 8.230 nan 0.000 0.443 519 R N -0.508 120.004 120.500 0.018 0.000 2.127 519 R HA -0.181 4.152 4.340 -0.011 0.000 0.238 519 R C 1.995 178.307 176.300 0.019 0.000 1.134 519 R CA 1.050 57.162 56.100 0.021 0.000 0.975 519 R CB -0.200 30.108 30.300 0.013 0.000 0.865 519 R HN 0.405 nan 8.270 nan 0.000 0.447 520 K N 0.584 120.995 120.400 0.018 0.000 2.281 520 K HA -0.115 4.198 4.320 -0.011 0.000 0.203 520 K C 1.878 178.525 176.600 0.078 0.000 1.046 520 K CA 0.837 57.143 56.287 0.032 0.000 0.938 520 K CB -0.094 32.430 32.500 0.040 0.000 0.737 520 K HN 0.248 nan 8.250 nan 0.000 0.458 521 L N 0.632 121.892 121.223 0.061 0.000 2.456 521 L HA -0.137 4.196 4.340 -0.011 0.000 0.224 521 L C 1.908 178.859 176.870 0.135 0.000 1.148 521 L CA 0.068 54.968 54.840 0.100 0.000 0.825 521 L CB -0.218 41.874 42.059 0.054 0.000 0.937 521 L HN 0.140 nan 8.230 nan 0.000 0.450 522 L N 0.051 121.314 121.223 0.067 0.000 2.131 522 L HA -0.183 4.150 4.340 -0.011 0.000 0.210 522 L C 2.665 179.526 176.870 -0.015 0.000 1.092 522 L CA 1.924 56.786 54.840 0.037 0.000 0.759 522 L CB -0.828 41.237 42.059 0.011 0.000 0.903 522 L HN 0.334 nan 8.230 nan 0.000 0.435 523 S N -2.711 112.927 115.700 -0.103 0.000 2.660 523 S HA -0.058 4.405 4.470 -0.011 0.000 0.223 523 S C 1.054 175.370 174.600 -0.474 0.000 0.963 523 S CA 0.194 58.224 58.200 -0.283 0.000 0.932 523 S CB -0.532 62.441 63.200 -0.378 0.000 0.775 523 S HN 0.465 nan 8.310 nan 0.000 0.531 524 Y N -0.647 119.590 120.300 -0.104 0.000 2.588 524 Y HA 0.426 4.974 4.550 -0.004 0.000 0.247 524 Y C 1.816 177.749 175.900 0.055 0.000 1.157 524 Y CA -0.622 57.410 58.100 -0.112 0.000 1.215 524 Y CB 0.231 38.424 38.460 -0.445 0.000 1.245 524 Y HN 0.256 nan 8.280 nan 0.000 0.534 525 V N 0.446 120.448 119.914 0.147 0.000 2.720 525 V HA -0.216 3.898 4.120 -0.011 0.000 0.256 525 V C 0.910 177.073 176.094 0.115 0.000 1.082 525 V CA 2.293 64.682 62.300 0.147 0.000 1.101 525 V CB 0.007 31.878 31.823 0.080 0.000 0.693 525 V HN 0.356 nan 8.190 nan 0.000 0.479 526 D N -0.962 119.487 120.400 0.080 0.000 2.433 526 D HA 0.123 4.757 4.640 -0.011 0.000 0.211 526 D C 0.373 176.721 176.300 0.080 0.000 1.114 526 D CA -0.076 53.961 54.000 0.061 0.000 0.837 526 D CB 0.119 40.932 40.800 0.021 0.000 0.984 526 D HN 0.433 nan 8.370 nan 0.000 0.505 527 D N 1.523 122.004 120.400 0.134 0.000 2.371 527 D HA -0.050 4.583 4.640 -0.011 0.000 0.256 527 D C 1.196 177.597 176.300 0.168 0.000 1.193 527 D CA 0.124 54.224 54.000 0.166 0.000 0.881 527 D CB 1.617 42.589 40.800 0.287 0.000 1.143 527 D HN -0.221 nan 8.370 nan 0.000 0.473 528 E N 3.237 123.506 120.200 0.115 0.000 2.106 528 E HA -0.086 4.257 4.350 -0.011 0.000 0.192 528 E C 1.651 178.309 176.600 0.097 0.000 0.984 528 E CA 1.202 57.655 56.400 0.088 0.000 0.806 528 E CB -0.160 29.575 29.700 0.058 0.000 0.750 528 E HN 0.582 nan 8.360 nan 0.000 0.458 529 A N -0.404 122.488 122.820 0.120 0.000 1.897 529 A HA -0.100 4.213 4.320 -0.011 0.000 0.215 529 A C 2.262 179.940 177.584 0.157 0.000 1.181 529 A CA 1.085 53.191 52.037 0.114 0.000 0.620 529 A CB -0.912 18.155 19.000 0.111 0.000 0.821 529 A HN 0.385 nan 8.150 nan 0.000 0.443 530 F N 0.308 120.274 119.950 0.027 0.000 2.102 530 F HA -0.149 4.372 4.527 -0.009 0.000 0.298 530 F C 2.059 177.867 175.800 0.013 0.000 1.105 530 F CA 1.538 59.540 58.000 0.003 0.000 1.239 530 F CB -0.092 38.921 39.000 0.022 0.000 0.991 530 F HN 0.153 nan 8.300 nan 0.000 0.474 531 I N 0.110 120.738 120.570 0.096 0.000 2.208 531 I HA -0.346 3.817 4.170 -0.011 0.000 0.245 531 I C 2.536 178.616 176.117 -0.062 0.000 1.097 531 I CA 1.549 62.844 61.300 -0.008 0.000 1.363 531 I CB -0.429 37.603 38.000 0.054 0.000 1.051 531 I HN 0.087 nan 8.210 nan 0.000 0.413 532 R N 0.696 121.181 120.500 -0.026 0.000 2.092 532 R HA -0.174 4.159 4.340 -0.011 0.000 0.231 532 R C 1.857 178.115 176.300 -0.070 0.000 1.119 532 R CA 1.667 57.747 56.100 -0.034 0.000 0.970 532 R CB -0.071 30.226 30.300 -0.005 0.000 0.864 532 R HN 0.271 nan 8.270 nan 0.000 0.440 533 D N -0.403 119.936 120.400 -0.102 0.000 2.084 533 D HA -0.116 4.517 4.640 -0.011 0.000 0.196 533 D C 1.929 178.104 176.300 -0.208 0.000 0.985 533 D CA 1.276 55.196 54.000 -0.133 0.000 0.826 533 D CB -0.272 40.455 40.800 -0.121 0.000 0.978 533 D HN 0.032 nan 8.370 nan 0.000 0.456 534 V N 1.487 121.177 119.914 -0.373 0.000 2.282 534 V HA -0.290 3.824 4.120 -0.011 0.000 0.249 534 V C 2.475 178.473 176.094 -0.160 0.000 1.057 534 V CA 2.050 64.142 62.300 -0.346 0.000 1.032 534 V CB -0.810 30.747 31.823 -0.444 0.000 0.645 534 V HN 0.209 nan 8.190 nan 0.000 0.447 535 A N -0.833 121.915 122.820 -0.120 0.000 1.969 535 A HA -0.222 4.092 4.320 -0.011 0.000 0.218 535 A C 2.357 179.905 177.584 -0.060 0.000 1.169 535 A CA 1.941 53.941 52.037 -0.063 0.000 0.635 535 A CB -0.415 18.554 19.000 -0.052 0.000 0.810 535 A HN 0.536 nan 8.150 nan 0.000 0.445 536 K N 0.255 120.615 120.400 -0.066 0.000 2.062 536 K HA -0.090 4.224 4.320 -0.011 0.000 0.205 536 K C 1.951 178.526 176.600 -0.040 0.000 1.051 536 K CA 1.613 57.871 56.287 -0.048 0.000 0.941 536 K CB -0.303 32.171 32.500 -0.042 0.000 0.719 536 K HN 0.415 nan 8.250 nan 0.000 0.440 537 V N -0.195 119.689 119.914 -0.050 0.000 2.427 537 V HA -0.155 3.959 4.120 -0.011 0.000 0.248 537 V C 2.199 178.282 176.094 -0.019 0.000 1.051 537 V CA 1.929 64.210 62.300 -0.032 0.000 1.048 537 V CB -0.619 31.181 31.823 -0.039 0.000 0.666 537 V HN 0.176 nan 8.190 nan 0.000 0.456 538 K N 0.716 121.101 120.400 -0.025 0.000 2.097 538 K HA -0.176 4.137 4.320 -0.011 0.000 0.205 538 K C 2.245 178.827 176.600 -0.030 0.000 1.050 538 K CA 2.039 58.319 56.287 -0.010 0.000 0.938 538 K CB -0.579 31.927 32.500 0.010 0.000 0.718 538 K HN 0.562 nan 8.250 nan 0.000 0.442 539 Q N 0.997 120.772 119.800 -0.040 0.000 2.083 539 Q HA -0.050 4.283 4.340 -0.011 0.000 0.198 539 Q C 1.609 177.595 176.000 -0.024 0.000 0.969 539 Q CA 1.828 57.599 55.803 -0.054 0.000 0.838 539 Q CB -0.050 28.658 28.738 -0.050 0.000 0.900 539 Q HN 0.504 nan 8.270 nan 0.000 0.436 540 E N -0.511 119.685 120.200 -0.006 0.000 2.106 540 E HA -0.141 4.203 4.350 -0.011 0.000 0.192 540 E C 1.639 178.265 176.600 0.043 0.000 0.984 540 E CA 0.875 57.286 56.400 0.017 0.000 0.806 540 E CB 0.024 29.733 29.700 0.014 0.000 0.750 540 E HN 0.368 nan 8.360 nan 0.000 0.458 541 N N 0.845 119.568 118.700 0.038 0.000 2.142 541 N HA -0.125 4.609 4.740 -0.011 0.000 0.186 541 N C 1.441 177.031 175.510 0.133 0.000 1.023 541 N CA 1.064 54.157 53.050 0.071 0.000 0.852 541 N CB -0.043 38.471 38.487 0.045 0.000 0.998 541 N HN 0.115 nan 8.380 nan 0.000 0.424 542 K N 0.482 120.928 120.400 0.077 0.000 2.097 542 K HA 0.019 4.332 4.320 -0.011 0.000 0.205 542 K C 2.054 178.779 176.600 0.209 0.000 1.050 542 K CA 0.633 56.986 56.287 0.109 0.000 0.938 542 K CB -0.144 32.168 32.500 -0.314 0.000 0.718 542 K HN 0.112 nan 8.250 nan 0.000 0.442 543 L N 1.092 122.380 121.223 0.109 0.000 2.093 543 L HA -0.155 4.179 4.340 -0.011 0.000 0.208 543 L C 2.594 179.552 176.870 0.147 0.000 1.085 543 L CA 1.095 56.002 54.840 0.112 0.000 0.755 543 L CB -0.222 41.876 42.059 0.065 0.000 0.904 543 L HN 0.106 nan 8.230 nan 0.000 0.435 544 K N -0.460 120.037 120.400 0.161 0.000 2.103 544 K HA -0.163 4.150 4.320 -0.011 0.000 0.204 544 K C 2.152 178.897 176.600 0.242 0.000 1.052 544 K CA 1.298 57.688 56.287 0.172 0.000 0.945 544 K CB -0.121 32.469 32.500 0.149 0.000 0.722 544 K HN 0.115 nan 8.250 nan 0.000 0.443 545 F N 1.509 121.549 119.950 0.151 0.000 2.163 545 F HA -0.074 4.446 4.527 -0.011 0.000 0.297 545 F C 2.077 178.011 175.800 0.222 0.000 1.094 545 F CA 1.199 59.300 58.000 0.168 0.000 1.290 545 F CB -0.480 38.618 39.000 0.165 0.000 1.017 545 F HN 0.000 nan 8.300 nan 0.000 0.483 546 A N 0.146 123.082 122.820 0.193 0.000 1.978 546 A HA -0.065 4.248 4.320 -0.011 0.000 0.220 546 A C 2.372 179.961 177.584 0.008 0.000 1.170 546 A CA 1.800 53.879 52.037 0.070 0.000 0.636 546 A CB -1.420 17.681 19.000 0.169 0.000 0.810 546 A HN 0.473 nan 8.150 nan 0.000 0.448 547 A N -1.292 121.568 122.820 0.065 0.000 1.854 547 A HA -0.014 4.300 4.320 -0.011 0.000 0.214 547 A C 2.110 179.718 177.584 0.040 0.000 1.192 547 A CA 1.447 53.521 52.037 0.062 0.000 0.611 547 A CB -0.954 18.099 19.000 0.088 0.000 0.832 547 A HN 0.769 nan 8.150 nan 0.000 0.442 548 Y N 0.204 120.457 120.300 -0.078 0.000 2.193 548 Y HA -0.233 4.311 4.550 -0.011 0.000 0.285 548 Y C 1.865 177.687 175.900 -0.129 0.000 1.166 548 Y CA 1.743 59.788 58.100 -0.092 0.000 1.181 548 Y CB -0.343 38.070 38.460 -0.077 0.000 0.976 548 Y HN 0.191 nan 8.280 nan 0.000 0.520 549 L N 0.843 122.023 121.223 -0.072 0.000 2.046 549 L HA -0.200 4.133 4.340 -0.011 0.000 0.208 549 L C 2.353 179.186 176.870 -0.063 0.000 1.077 549 L CA 2.034 56.816 54.840 -0.097 0.000 0.747 549 L CB -1.048 40.881 42.059 -0.216 0.000 0.896 549 L HN 0.350 nan 8.230 nan 0.000 0.432 550 E N -1.549 118.617 120.200 -0.057 0.000 2.158 550 E HA -0.147 4.196 4.350 -0.011 0.000 0.191 550 E C 2.284 178.839 176.600 -0.075 0.000 0.982 550 E CA 0.380 56.768 56.400 -0.021 0.000 0.823 550 E CB 0.091 29.812 29.700 0.036 0.000 0.766 550 E HN 0.354 nan 8.360 nan 0.000 0.468 551 R N 0.737 121.159 120.500 -0.130 0.000 2.096 551 R HA -0.172 4.161 4.340 -0.011 0.000 0.229 551 R C 2.021 178.160 176.300 -0.268 0.000 1.134 551 R CA 1.723 57.720 56.100 -0.172 0.000 0.917 551 R CB -0.059 30.129 30.300 -0.187 0.000 0.832 551 R HN -0.009 nan 8.270 nan 0.000 0.430 552 E N -1.723 118.185 120.200 -0.486 0.000 2.318 552 E HA -0.058 4.285 4.350 -0.011 0.000 0.193 552 E C 0.780 176.925 176.600 -0.758 0.000 0.998 552 E CA 0.795 56.785 56.400 -0.684 0.000 0.859 552 E CB 0.397 29.470 29.700 -1.045 0.000 0.812 552 E HN 0.375 nan 8.360 nan 0.000 0.492 553 Y N -0.049 120.127 120.300 -0.205 0.000 2.452 553 Y HA 0.285 4.828 4.550 -0.011 0.000 0.262 553 Y C -0.367 175.500 175.900 -0.056 0.000 1.089 553 Y CA -0.423 57.618 58.100 -0.098 0.000 1.262 553 Y CB 0.728 39.145 38.460 -0.073 0.000 1.236 553 Y HN -0.335 nan 8.280 nan 0.000 0.512 554 K N 1.023 121.454 120.400 0.052 0.000 6.357 554 K HA -0.076 4.237 4.320 -0.011 0.000 0.664 554 K C -0.567 176.073 176.600 0.067 0.000 1.803 554 K CA 0.952 57.265 56.287 0.042 0.000 1.595 554 K CB -1.458 31.054 32.500 0.020 0.000 1.816 554 K HN 0.412 nan 8.250 nan 0.000 0.323 555 V N -2.587 117.371 119.914 0.074 0.000 5.914 555 V HA -0.004 4.109 4.120 -0.011 0.000 0.826 555 V C -0.150 176.020 176.094 0.127 0.000 2.320 555 V CA -0.003 62.353 62.300 0.093 0.000 4.312 555 V CB -1.181 30.692 31.823 0.084 0.000 0.128 555 V HN 1.019 nan 8.190 nan 0.000 0.619 556 H N 1.049 120.125 119.070 0.010 0.000 2.892 556 H HA -0.086 4.463 4.556 -0.011 0.000 0.274 556 H C -0.314 175.018 175.328 0.007 0.000 0.794 556 H CA 1.873 57.928 56.048 0.012 0.000 1.128 556 H CB 0.087 29.860 29.762 0.019 0.000 1.126 556 H HN 1.334 nan 8.280 nan 0.000 0.623 557 I N 0.223 120.449 120.570 -0.573 0.000 3.006 557 I HA 0.405 4.568 4.170 -0.011 0.000 0.306 557 I C -0.689 175.178 176.117 -0.416 0.000 1.250 557 I CA -1.293 59.809 61.300 -0.330 0.000 0.996 557 I CB 2.188 40.077 38.000 -0.185 0.000 1.261 557 I HN 0.612 nan 8.210 nan 0.000 0.442 558 N N 3.907 122.553 118.700 -0.091 0.000 2.457 558 N HA 0.492 5.225 4.740 -0.011 0.000 0.250 558 N C -2.143 173.451 175.510 0.141 0.000 0.982 558 N CA -2.555 50.506 53.050 0.018 0.000 0.941 558 N CB 1.344 39.870 38.487 0.064 0.000 1.120 558 N HN 0.367 nan 8.380 nan 0.000 0.505 559 P HA 0.062 nan 4.420 nan 0.000 0.239 559 P C -0.144 177.101 177.300 -0.092 0.000 1.184 559 P CA 0.885 64.007 63.100 0.038 0.000 0.760 559 P CB 0.140 31.864 31.700 0.039 0.000 0.884 560 N N -1.159 117.535 118.700 -0.010 0.000 2.325 560 N HA 0.009 4.743 4.740 -0.011 0.000 0.182 560 N C 0.562 176.081 175.510 0.015 0.000 1.088 560 N CA -0.117 52.927 53.050 -0.011 0.000 0.879 560 N CB 0.155 38.657 38.487 0.025 0.000 0.983 560 N HN 0.130 nan 8.380 nan 0.000 0.471 561 S N 0.174 115.886 115.700 0.020 0.000 2.634 561 S HA 0.208 4.671 4.470 -0.011 0.000 0.261 561 S C 0.029 174.562 174.600 -0.113 0.000 1.271 561 S CA -0.832 57.368 58.200 0.001 0.000 0.985 561 S CB 0.936 64.170 63.200 0.057 0.000 0.968 561 S HN 0.147 nan 8.310 nan 0.000 0.568 562 L N 1.343 122.372 121.223 -0.325 0.000 2.319 562 L HA 0.405 4.738 4.340 -0.011 0.000 0.280 562 L C -0.964 175.877 176.870 -0.048 0.000 1.099 562 L CA -0.622 53.848 54.840 -0.617 0.000 0.828 562 L CB -0.032 41.400 42.059 -1.044 0.000 1.150 562 L HN 0.702 nan 8.230 nan 0.000 0.442 563 F N 4.124 123.945 119.950 -0.216 0.000 2.423 563 F HA 0.095 4.615 4.527 -0.010 0.000 0.356 563 F C 0.445 176.173 175.800 -0.120 0.000 1.170 563 F CA -0.806 57.128 58.000 -0.110 0.000 1.163 563 F CB 0.568 39.550 39.000 -0.031 0.000 1.318 563 F HN 0.513 nan 8.300 nan 0.000 0.569 564 D N 4.924 125.325 120.400 0.002 0.000 2.411 564 D HA 0.194 4.827 4.640 -0.011 0.000 0.225 564 D C -0.953 175.283 176.300 -0.108 0.000 1.156 564 D CA 0.066 54.020 54.000 -0.077 0.000 0.874 564 D CB 1.201 41.945 40.800 -0.094 0.000 1.034 564 D HN 0.257 nan 8.370 nan 0.000 0.502 565 V N 2.846 122.680 119.914 -0.135 0.000 2.604 565 V HA 0.552 4.666 4.120 -0.011 0.000 0.305 565 V C -1.284 174.670 176.094 -0.233 0.000 1.043 565 V CA -0.691 61.515 62.300 -0.157 0.000 0.888 565 V CB 1.915 33.691 31.823 -0.078 0.000 0.995 565 V HN 0.484 nan 8.190 nan 0.000 0.429 566 Q N 4.559 124.236 119.800 -0.204 0.000 2.394 566 Q HA 0.661 4.994 4.340 -0.011 0.000 0.261 566 Q C -1.495 174.351 176.000 -0.256 0.000 1.023 566 Q CA -0.647 55.027 55.803 -0.216 0.000 0.720 566 Q CB 1.884 30.519 28.738 -0.171 0.000 1.241 566 Q HN 1.117 nan 8.270 nan 0.000 0.483 567 V N 2.201 121.950 119.914 -0.276 0.000 2.483 567 V HA 0.850 4.964 4.120 -0.011 0.000 0.297 567 V C -0.820 174.993 176.094 -0.469 0.000 1.027 567 V CA -0.600 61.345 62.300 -0.591 0.000 0.855 567 V CB 1.288 32.548 31.823 -0.937 0.000 0.995 567 V HN 0.805 nan 8.190 nan 0.000 0.424 568 K N 2.680 122.857 120.400 -0.371 0.000 2.999 568 K HA 0.408 4.722 4.320 -0.011 0.000 0.295 568 K C -1.279 175.337 176.600 0.026 0.000 1.082 568 K CA -1.027 55.234 56.287 -0.043 0.000 0.816 568 K CB 1.028 33.500 32.500 -0.048 0.000 1.492 568 K HN 0.475 nan 8.250 nan 0.000 0.362 569 R N 0.770 121.344 120.500 0.123 0.000 2.756 569 R HA 0.182 4.515 4.340 -0.011 0.000 0.264 569 R C 0.400 176.734 176.300 0.057 0.000 1.026 569 R CA -0.285 55.895 56.100 0.133 0.000 1.121 569 R CB -0.163 30.259 30.300 0.204 0.000 0.999 569 R HN 0.475 nan 8.270 nan 0.000 0.449 570 I N 4.131 124.708 120.570 0.011 0.000 2.452 570 I HA 0.121 4.285 4.170 -0.011 0.000 0.287 570 I C 0.710 176.716 176.117 -0.185 0.000 1.079 570 I CA 0.544 61.795 61.300 -0.082 0.000 1.387 570 I CB -0.055 37.886 38.000 -0.098 0.000 1.404 570 I HN 0.284 nan 8.210 nan 0.000 0.522 571 H N 4.237 123.216 119.070 -0.152 0.000 3.012 571 H HA 0.238 4.787 4.556 -0.011 0.000 0.367 571 H C 0.360 175.579 175.328 -0.181 0.000 1.211 571 H CA -0.456 55.539 56.048 -0.088 0.000 1.139 571 H CB 2.141 31.791 29.762 -0.187 0.000 1.838 571 H HN 0.528 nan 8.280 nan 0.000 0.550 572 E N 1.161 121.440 120.200 0.132 0.000 2.106 572 E HA -0.175 4.169 4.350 -0.011 0.000 0.192 572 E C 1.389 177.742 176.600 -0.412 0.000 0.984 572 E CA 1.171 57.565 56.400 -0.010 0.000 0.806 572 E CB 0.076 29.956 29.700 0.299 0.000 0.750 572 E HN 0.533 nan 8.360 nan 0.000 0.458 573 Y N 0.889 120.668 120.300 -0.868 0.000 2.421 573 Y HA -0.005 4.538 4.550 -0.011 0.000 0.292 573 Y C 1.524 177.162 175.900 -0.438 0.000 1.136 573 Y CA 0.708 58.137 58.100 -1.117 0.000 1.255 573 Y CB 0.031 37.862 38.460 -1.048 0.000 0.991 573 Y HN -0.209 nan 8.280 nan 0.000 0.552 574 K N 0.982 120.937 120.400 -0.742 0.000 2.366 574 K HA 0.019 4.333 4.320 -0.011 0.000 0.198 574 K C 0.201 176.632 176.600 -0.283 0.000 1.044 574 K CA 0.721 56.680 56.287 -0.546 0.000 0.973 574 K CB -0.139 32.062 32.500 -0.497 0.000 0.767 574 K HN 0.388 nan 8.250 nan 0.000 0.475 575 R N 0.827 121.189 120.500 -0.230 0.000 3.261 575 R HA -0.180 4.153 4.340 -0.011 0.000 0.257 575 R C 0.580 176.801 176.300 -0.132 0.000 1.014 575 R CA 0.188 56.202 56.100 -0.143 0.000 0.681 575 R CB -1.980 28.248 30.300 -0.119 0.000 1.155 575 R HN 0.222 nan 8.270 nan 0.000 0.424 576 Q N 0.220 119.944 119.800 -0.127 0.000 2.226 576 Q HA -0.019 4.314 4.340 -0.011 0.000 0.204 576 Q C 1.854 177.804 176.000 -0.083 0.000 0.975 576 Q CA 1.357 57.097 55.803 -0.104 0.000 0.866 576 Q CB 0.072 28.752 28.738 -0.096 0.000 0.915 576 Q HN 0.596 nan 8.270 nan 0.000 0.440 577 L N -0.539 120.636 121.223 -0.079 0.000 2.046 577 L HA -0.192 4.141 4.340 -0.011 0.000 0.208 577 L C 2.014 178.877 176.870 -0.012 0.000 1.077 577 L CA 0.668 55.474 54.840 -0.057 0.000 0.747 577 L CB -0.330 41.705 42.059 -0.041 0.000 0.896 577 L HN 0.319 nan 8.230 nan 0.000 0.432 578 L N -0.064 121.143 121.223 -0.026 0.000 2.083 578 L HA -0.240 4.093 4.340 -0.011 0.000 0.209 578 L C 1.994 178.891 176.870 0.044 0.000 1.083 578 L CA 1.894 56.727 54.840 -0.012 0.000 0.752 578 L CB -0.786 41.169 42.059 -0.173 0.000 0.899 578 L HN 0.285 nan 8.230 nan 0.000 0.433 579 N N -1.825 116.876 118.700 0.002 0.000 2.120 579 N HA -0.220 4.514 4.740 -0.011 0.000 0.188 579 N C 1.927 177.517 175.510 0.133 0.000 1.024 579 N CA 1.431 54.559 53.050 0.130 0.000 0.852 579 N CB -0.116 38.388 38.487 0.028 0.000 1.003 579 N HN 0.484 nan 8.380 nan 0.000 0.424 580 C N 0.541 119.858 119.300 0.027 0.000 2.429 580 C HA -0.058 4.395 4.460 -0.011 0.000 0.277 580 C C 2.565 177.554 174.990 -0.002 0.000 1.262 580 C CA 0.358 59.348 59.018 -0.047 0.000 1.733 580 C CB -1.217 26.442 27.740 -0.134 0.000 2.010 580 C HN 0.518 nan 8.230 nan 0.000 0.483 581 L N -0.269 121.013 121.223 0.099 0.000 2.083 581 L HA -0.207 4.126 4.340 -0.011 0.000 0.209 581 L C 2.709 179.747 176.870 0.279 0.000 1.083 581 L CA 1.793 56.744 54.840 0.186 0.000 0.752 581 L CB -1.043 41.195 42.059 0.298 0.000 0.899 581 L HN 0.617 nan 8.230 nan 0.000 0.433 582 H N -0.247 118.941 119.070 0.196 0.000 2.357 582 H HA -0.117 4.433 4.556 -0.011 0.000 0.301 582 H C 2.246 177.577 175.328 0.006 0.000 1.082 582 H CA 1.661 57.750 56.048 0.068 0.000 1.342 582 H CB 0.383 30.136 29.762 -0.016 0.000 1.389 582 H HN 0.083 nan 8.280 nan 0.000 0.511 583 V N 1.498 121.325 119.914 -0.145 0.000 2.287 583 V HA -0.270 3.843 4.120 -0.011 0.000 0.248 583 V C 2.785 178.812 176.094 -0.112 0.000 1.053 583 V CA 1.882 64.056 62.300 -0.211 0.000 1.027 583 V CB -0.497 31.251 31.823 -0.126 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.298 120.246 120.570 -0.043 0.000 2.286 584 I HA -0.222 3.942 4.170 -0.011 0.000 0.248 584 I C 2.487 178.675 176.117 0.118 0.000 1.115 584 I CA 1.665 63.011 61.300 0.077 0.000 1.392 584 I CB -0.566 37.459 38.000 0.041 0.000 1.065 584 I HN 0.319 nan 8.210 nan 0.000 0.418 585 T N 1.011 115.592 114.554 0.045 0.000 2.708 585 T HA -0.147 4.197 4.350 -0.011 0.000 0.266 585 T C 1.867 176.540 174.700 -0.044 0.000 1.037 585 T CA 1.176 63.296 62.100 0.034 0.000 1.146 585 T CB -0.241 68.672 68.868 0.076 0.000 0.865 585 T HN 0.073 nan 8.240 nan 0.000 0.435 586 L N 0.219 121.348 121.223 -0.157 0.000 2.012 586 L HA -0.061 4.272 4.340 -0.011 0.000 0.210 586 L C 2.087 178.927 176.870 -0.050 0.000 1.073 586 L CA 1.640 56.379 54.840 -0.168 0.000 0.748 586 L CB -1.069 40.816 42.059 -0.290 0.000 0.891 586 L HN 0.377 nan 8.230 nan 0.000 0.431 587 Y N 0.211 120.453 120.300 -0.097 0.000 2.145 587 Y HA -0.302 4.241 4.550 -0.011 0.000 0.286 587 Y C 2.457 178.341 175.900 -0.026 0.000 1.145 587 Y CA 1.896 59.977 58.100 -0.033 0.000 1.148 587 Y CB -0.116 38.371 38.460 0.046 0.000 0.981 587 Y HN 0.275 nan 8.280 nan 0.000 0.507 588 N N 0.461 119.124 118.700 -0.062 0.000 2.223 588 N HA -0.145 4.589 4.740 -0.011 0.000 0.185 588 N C 1.795 177.197 175.510 -0.181 0.000 1.016 588 N CA 1.501 54.447 53.050 -0.174 0.000 0.863 588 N CB -0.333 38.119 38.487 -0.059 0.000 0.983 588 N HN 0.450 nan 8.380 nan 0.000 0.429 589 R N 0.234 120.657 120.500 -0.129 0.000 2.092 589 R HA 0.106 4.439 4.340 -0.011 0.000 0.231 589 R C 2.182 178.398 176.300 -0.139 0.000 1.119 589 R CA 0.669 56.700 56.100 -0.115 0.000 0.970 589 R CB -0.196 30.049 30.300 -0.092 0.000 0.864 589 R HN 0.217 nan 8.270 nan 0.000 0.440 590 I N 0.924 121.391 120.570 -0.171 0.000 2.252 590 I HA -0.259 3.904 4.170 -0.011 0.000 0.245 590 I C 2.000 178.001 176.117 -0.193 0.000 1.102 590 I CA 1.176 62.376 61.300 -0.167 0.000 1.385 590 I CB -0.083 37.822 38.000 -0.159 0.000 1.064 590 I HN 0.008 nan 8.210 nan 0.000 0.414 591 K N 0.696 120.918 120.400 -0.297 0.000 2.209 591 K HA -0.193 4.120 4.320 -0.011 0.000 0.204 591 K C 1.998 178.497 176.600 -0.168 0.000 1.048 591 K CA 1.037 57.159 56.287 -0.275 0.000 0.940 591 K CB -0.235 32.016 32.500 -0.415 0.000 0.729 591 K HN 0.151 nan 8.250 nan 0.000 0.451 592 K N 1.850 122.160 120.400 -0.150 0.000 2.044 592 K HA -0.064 4.249 4.320 -0.011 0.000 0.204 592 K C 0.146 176.699 176.600 -0.078 0.000 1.049 592 K CA 1.226 57.451 56.287 -0.103 0.000 0.945 592 K CB 0.319 32.763 32.500 -0.095 0.000 0.724 592 K HN 0.067 nan 8.250 nan 0.000 0.440 593 E N 0.743 120.897 120.200 -0.078 0.000 3.037 593 E HA 0.177 4.520 4.350 -0.011 0.000 0.220 593 E C -2.329 174.237 176.600 -0.057 0.000 1.142 593 E CA -1.784 54.582 56.400 -0.055 0.000 0.888 593 E CB 1.548 31.221 29.700 -0.044 0.000 1.329 593 E HN 0.105 nan 8.360 nan 0.000 0.409 594 P HA -0.168 nan 4.420 nan 0.000 0.215 594 P C 0.324 177.607 177.300 -0.028 0.000 1.153 594 P CA 1.275 64.345 63.100 -0.050 0.000 0.853 594 P CB 0.158 31.833 31.700 -0.041 0.000 0.788 595 N N -0.971 117.721 118.700 -0.013 0.000 2.322 595 N HA 0.021 4.754 4.740 -0.011 0.000 0.216 595 N C 0.382 175.908 175.510 0.027 0.000 1.144 595 N CA 0.047 53.103 53.050 0.009 0.000 0.830 595 N CB -0.097 38.396 38.487 0.010 0.000 1.034 595 N HN 0.071 nan 8.380 nan 0.000 0.484 596 K N 0.997 121.406 120.400 0.015 0.000 2.138 596 K HA 0.182 4.495 4.320 -0.011 0.000 0.263 596 K C -1.008 175.627 176.600 0.059 0.000 0.965 596 K CA -0.649 55.661 56.287 0.039 0.000 0.868 596 K CB 0.771 33.274 32.500 0.005 0.000 1.083 596 K HN -0.034 nan 8.250 nan 0.000 0.443 597 F N 4.675 124.613 119.950 -0.021 0.000 2.456 597 F HA 0.241 4.761 4.527 -0.011 0.000 0.358 597 F C -0.467 175.319 175.800 -0.023 0.000 1.095 597 F CA -0.124 57.865 58.000 -0.019 0.000 1.216 597 F CB 0.663 39.655 39.000 -0.014 0.000 1.125 597 F HN 0.186 nan 8.300 nan 0.000 0.549 598 V N 4.145 123.423 119.914 -1.060 0.000 2.841 598 V HA 0.529 4.642 4.120 -0.011 0.000 0.310 598 V C -0.775 174.682 176.094 -1.061 0.000 1.090 598 V CA -1.230 60.603 62.300 -0.778 0.000 0.930 598 V CB 0.949 32.542 31.823 -0.384 0.000 1.014 598 V HN 0.572 nan 8.190 nan 0.000 0.425 599 V N 4.763 124.333 119.914 -0.573 0.000 2.493 599 V HA 0.189 4.302 4.120 -0.011 0.000 0.292 599 V C -1.793 174.133 176.094 -0.280 0.000 1.016 599 V CA -0.431 61.681 62.300 -0.313 0.000 1.097 599 V CB 0.378 32.137 31.823 -0.107 0.000 0.947 599 V HN 0.904 nan 8.190 nan 0.000 0.479 600 P HA 0.337 nan 4.420 nan 0.000 0.268 600 P C -0.440 176.766 177.300 -0.157 0.000 1.205 600 P CA -0.050 62.961 63.100 -0.148 0.000 0.771 600 P CB 0.531 32.194 31.700 -0.061 0.000 0.858 601 R N 0.746 121.169 120.500 -0.129 0.000 2.651 601 R HA 0.581 4.914 4.340 -0.011 0.000 0.278 601 R C -0.916 175.344 176.300 -0.067 0.000 1.010 601 R CA -0.576 55.450 56.100 -0.123 0.000 0.896 601 R CB 1.971 32.178 30.300 -0.154 0.000 1.211 601 R HN 0.276 nan 8.270 nan 0.000 0.456 602 T N 2.066 116.602 114.554 -0.031 0.000 2.912 602 T HA 0.203 4.546 4.350 -0.011 0.000 0.326 602 T C -0.845 173.776 174.700 -0.132 0.000 1.080 602 T CA -0.529 61.519 62.100 -0.086 0.000 1.000 602 T CB 1.063 69.846 68.868 -0.142 0.000 1.008 602 T HN 0.340 nan 8.240 nan 0.000 0.473 603 V N 5.251 125.090 119.914 -0.125 0.000 2.383 603 V HA 0.691 4.805 4.120 -0.011 0.000 0.275 603 V C -0.524 175.486 176.094 -0.139 0.000 1.036 603 V CA -0.642 61.585 62.300 -0.121 0.000 0.889 603 V CB 0.699 32.467 31.823 -0.091 0.000 0.985 603 V HN 0.848 nan 8.190 nan 0.000 0.459 604 M N 7.531 127.035 119.600 -0.160 0.000 2.227 604 M HA 0.609 5.082 4.480 -0.011 0.000 0.335 604 M C -0.895 175.293 176.300 -0.187 0.000 1.053 604 M CA -0.234 54.961 55.300 -0.174 0.000 0.973 604 M CB 1.966 34.453 32.600 -0.188 0.000 1.623 604 M HN 0.515 nan 8.290 nan 0.000 0.434 605 I N 1.892 122.339 120.570 -0.205 0.000 2.498 605 I HA 0.806 4.970 4.170 -0.011 0.000 0.290 605 I C 0.045 175.868 176.117 -0.490 0.000 1.032 605 I CA -0.634 60.529 61.300 -0.230 0.000 1.073 605 I CB 2.242 40.197 38.000 -0.076 0.000 1.251 605 I HN 0.815 nan 8.210 nan 0.000 0.426 606 G N 3.068 111.542 108.800 -0.543 0.000 2.696 606 G HA2 0.827 4.780 3.960 -0.011 0.000 0.295 606 G HA3 0.827 4.780 3.960 -0.011 0.000 0.295 606 G C -1.022 173.594 174.900 -0.475 0.000 1.398 606 G CA -0.805 43.828 45.100 -0.778 0.000 0.920 606 G HN 0.972 nan 8.290 nan 0.000 0.492 607 G N -0.260 108.403 108.800 -0.228 0.000 2.358 607 G HA2 0.430 4.383 3.960 -0.011 0.000 0.303 607 G HA3 0.430 4.383 3.960 -0.011 0.000 0.303 607 G C -1.423 173.606 174.900 0.215 0.000 1.537 607 G CA -1.012 44.119 45.100 0.052 0.000 0.928 607 G HN 0.598 nan 8.290 nan 0.000 0.656 608 K N -0.207 120.313 120.400 0.201 0.000 2.110 608 K HA 0.768 5.081 4.320 -0.011 0.000 0.263 608 K C 0.156 176.877 176.600 0.201 0.000 0.975 608 K CA -0.238 56.181 56.287 0.220 0.000 0.895 608 K CB 1.980 34.514 32.500 0.056 0.000 1.060 608 K HN 0.871 nan 8.250 nan 0.000 0.448 609 A N 1.547 124.521 122.820 0.256 0.000 2.330 609 A HA 0.666 4.979 4.320 -0.011 0.000 0.327 609 A C -0.568 177.168 177.584 0.253 0.000 1.155 609 A CA -0.749 51.372 52.037 0.139 0.000 0.803 609 A CB 1.146 20.154 19.000 0.013 0.000 1.208 609 A HN 0.778 nan 8.150 nan 0.000 0.477 610 A N 3.616 126.562 122.820 0.210 0.000 2.540 610 A HA 0.471 4.784 4.320 -0.011 0.000 0.239 610 A C -1.387 176.259 177.584 0.103 0.000 1.061 610 A CA -0.757 51.408 52.037 0.212 0.000 0.758 610 A CB -0.355 18.733 19.000 0.147 0.000 0.991 610 A HN 0.598 nan 8.150 nan 0.000 0.502 611 P HA -0.149 nan 4.420 nan 0.000 0.217 611 P C 1.365 178.642 177.300 -0.038 0.000 1.148 611 P CA 2.009 65.039 63.100 -0.116 0.000 0.828 611 P CB 0.187 31.759 31.700 -0.213 0.000 0.783 612 G N -2.984 105.810 108.800 -0.009 0.000 3.042 612 G HA2 -0.116 3.837 3.960 -0.011 0.000 0.212 612 G HA3 -0.116 3.837 3.960 -0.011 0.000 0.212 612 G C 0.032 174.954 174.900 0.036 0.000 1.166 612 G CA -0.167 44.929 45.100 -0.006 0.000 0.767 612 G HN 0.306 nan 8.290 nan 0.000 0.546 613 Y N 2.041 122.270 120.300 -0.118 0.000 2.594 613 Y HA 0.108 4.652 4.550 -0.011 0.000 0.344 613 Y C 1.786 177.668 175.900 -0.031 0.000 1.185 613 Y CA -0.899 57.124 58.100 -0.129 0.000 1.565 613 Y CB -0.058 38.290 38.460 -0.186 0.000 1.415 613 Y HN 0.319 nan 8.280 nan 0.000 0.488 614 H N 3.534 122.718 119.070 0.191 0.000 2.289 614 H HA -0.251 4.298 4.556 -0.011 0.000 0.296 614 H C 1.879 177.240 175.328 0.055 0.000 1.091 614 H CA 2.311 58.418 56.048 0.098 0.000 1.274 614 H CB 0.353 30.166 29.762 0.086 0.000 1.364 614 H HN 0.689 nan 8.280 nan 0.000 0.490 615 M N 1.034 120.599 119.600 -0.058 0.000 2.108 615 M HA -0.084 4.389 4.480 -0.011 0.000 0.261 615 M C 2.568 178.614 176.300 -0.424 0.000 1.066 615 M CA 1.868 57.044 55.300 -0.207 0.000 1.107 615 M CB -0.811 31.821 32.600 0.054 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.610 121.710 122.820 -0.833 0.000 1.972 616 A HA -0.178 4.135 4.320 -0.011 0.000 0.219 616 A C 2.170 179.542 177.584 -0.353 0.000 1.169 616 A CA 1.731 53.312 52.037 -0.760 0.000 0.635 616 A CB -0.634 17.685 19.000 -1.135 0.000 0.810 616 A HN 0.594 nan 8.150 nan 0.000 0.446 617 K N -1.238 119.013 120.400 -0.247 0.000 2.228 617 K HA 0.039 4.352 4.320 -0.011 0.000 0.202 617 K C 1.725 178.294 176.600 -0.051 0.000 1.051 617 K CA 0.875 57.113 56.287 -0.082 0.000 0.960 617 K CB -0.143 32.368 32.500 0.019 0.000 0.743 617 K HN 0.317 nan 8.250 nan 0.000 0.458 618 M N 0.543 120.057 119.600 -0.143 0.000 2.254 618 M HA -0.027 4.446 4.480 -0.011 0.000 0.265 618 M C 1.992 178.238 176.300 -0.090 0.000 1.066 618 M CA 1.299 56.556 55.300 -0.072 0.000 1.123 618 M CB -0.447 32.065 32.600 -0.147 0.000 1.388 618 M HN 0.105 nan 8.290 nan 0.000 0.425 619 I N -0.536 119.937 120.570 -0.162 0.000 2.353 619 I HA -0.262 3.901 4.170 -0.011 0.000 0.248 619 I C 2.205 178.193 176.117 -0.215 0.000 1.119 619 I CA 0.857 62.049 61.300 -0.179 0.000 1.417 619 I CB -0.231 37.660 38.000 -0.181 0.000 1.078 619 I HN 0.152 nan 8.210 nan 0.000 0.421 620 I N 0.724 121.149 120.570 -0.242 0.000 2.226 620 I HA -0.282 3.881 4.170 -0.011 0.000 0.245 620 I C 2.547 178.380 176.117 -0.473 0.000 1.100 620 I CA 1.168 62.227 61.300 -0.402 0.000 1.374 620 I CB -0.217 37.532 38.000 -0.418 0.000 1.057 620 I HN 0.136 nan 8.210 nan 0.000 0.413 621 K N 1.398 121.547 120.400 -0.419 0.000 2.148 621 K HA -0.114 4.199 4.320 -0.011 0.000 0.204 621 K C 1.990 178.434 176.600 -0.259 0.000 1.050 621 K CA 1.324 57.284 56.287 -0.545 0.000 0.942 621 K CB -0.427 31.479 32.500 -0.991 0.000 0.724 621 K HN 0.227 nan 8.250 nan 0.000 0.446 622 L N 0.288 121.383 121.223 -0.214 0.000 2.056 622 L HA -0.122 4.211 4.340 -0.011 0.000 0.207 622 L C 2.085 178.715 176.870 -0.399 0.000 1.078 622 L CA 1.512 56.066 54.840 -0.476 0.000 0.749 622 L CB -0.248 41.455 42.059 -0.593 0.000 0.901 622 L HN 0.233 nan 8.230 nan 0.000 0.433 623 I N -0.096 120.291 120.570 -0.305 0.000 2.179 623 I HA -0.330 3.833 4.170 -0.011 0.000 0.242 623 I C 2.621 178.624 176.117 -0.191 0.000 1.088 623 I CA 1.940 63.110 61.300 -0.217 0.000 1.357 623 I CB -0.631 37.314 38.000 -0.093 0.000 1.051 623 I HN 0.412 nan 8.210 nan 0.000 0.409 624 T N -0.807 113.605 114.554 -0.237 0.000 2.867 624 T HA -0.057 4.287 4.350 -0.011 0.000 0.268 624 T C 1.948 176.573 174.700 -0.124 0.000 1.057 624 T CA 0.931 62.925 62.100 -0.177 0.000 1.136 624 T CB -0.406 68.312 68.868 -0.249 0.000 0.874 624 T HN 0.344 nan 8.240 nan 0.000 0.466 625 A N 1.426 124.168 122.820 -0.130 0.000 1.930 625 A HA 0.176 4.490 4.320 -0.011 0.000 0.217 625 A C 2.344 179.929 177.584 0.001 0.000 1.175 625 A CA 1.165 53.194 52.037 -0.014 0.000 0.627 625 A CB -0.761 18.315 19.000 0.128 0.000 0.815 625 A HN 0.574 nan 8.150 nan 0.000 0.443 626 I N -0.232 120.232 120.570 -0.178 0.000 2.226 626 I HA -0.185 3.978 4.170 -0.011 0.000 0.245 626 I C 2.695 178.755 176.117 -0.094 0.000 1.100 626 I CA 1.156 62.329 61.300 -0.212 0.000 1.374 626 I CB -0.542 37.219 38.000 -0.398 0.000 1.057 626 I HN 0.380 nan 8.210 nan 0.000 0.413 627 G N 0.254 108.993 108.800 -0.103 0.000 2.442 627 G HA2 -0.253 3.700 3.960 -0.011 0.000 0.219 627 G HA3 -0.253 3.700 3.960 -0.011 0.000 0.219 627 G C 1.277 176.135 174.900 -0.071 0.000 1.141 627 G CA 0.933 45.978 45.100 -0.092 0.000 0.763 627 G HN 0.278 nan 8.290 nan 0.000 0.554 628 D N 0.093 120.497 120.400 0.006 0.000 2.117 628 D HA -0.086 4.547 4.640 -0.011 0.000 0.197 628 D C 2.752 179.131 176.300 0.131 0.000 0.987 628 D CA 0.762 54.833 54.000 0.118 0.000 0.829 628 D CB -0.278 40.571 40.800 0.082 0.000 0.961 628 D HN 0.233 nan 8.370 nan 0.000 0.460 629 V N 0.382 120.307 119.914 0.018 0.000 2.273 629 V HA -0.161 3.952 4.120 -0.011 0.000 0.242 629 V C 2.654 178.671 176.094 -0.128 0.000 1.035 629 V CA 0.907 63.159 62.300 -0.079 0.000 1.013 629 V CB -0.449 31.275 31.823 -0.165 0.000 0.652 629 V HN 0.026 nan 8.190 nan 0.000 0.452 630 V N 0.958 120.734 119.914 -0.229 0.000 2.343 630 V HA -0.221 3.893 4.120 -0.011 0.000 0.247 630 V C 2.107 178.129 176.094 -0.121 0.000 1.051 630 V CA 2.065 64.234 62.300 -0.218 0.000 1.036 630 V CB -0.910 30.781 31.823 -0.220 0.000 0.654 630 V HN 0.574 nan 8.190 nan 0.000 0.451 631 N N -0.449 118.105 118.700 -0.244 0.000 2.550 631 N HA -0.070 4.663 4.740 -0.011 0.000 0.186 631 N C 1.131 176.310 175.510 -0.552 0.000 1.110 631 N CA 0.830 53.645 53.050 -0.393 0.000 0.912 631 N CB -0.257 37.924 38.487 -0.510 0.000 0.968 631 N HN 0.702 nan 8.380 nan 0.000 0.448 632 H N -1.695 117.382 119.070 0.012 0.000 2.785 632 H HA 0.207 4.756 4.556 -0.011 0.000 0.268 632 H C -0.551 174.798 175.328 0.035 0.000 1.153 632 H CA -0.496 55.562 56.048 0.017 0.000 1.111 632 H CB 0.734 30.494 29.762 -0.002 0.000 1.633 632 H HN -0.033 nan 8.280 nan 0.000 0.576 633 D N 1.872 122.343 120.400 0.118 0.000 2.339 633 D HA 0.046 4.679 4.640 -0.011 0.000 0.241 633 D C -1.613 174.749 176.300 0.104 0.000 1.183 633 D CA -2.065 52.023 54.000 0.146 0.000 0.859 633 D CB 1.695 42.657 40.800 0.270 0.000 1.067 633 D HN 0.117 nan 8.370 nan 0.000 0.484 634 P HA -0.113 nan 4.420 nan 0.000 0.218 634 P C 1.576 178.902 177.300 0.043 0.000 1.149 634 P CA 0.336 63.470 63.100 0.057 0.000 0.817 634 P CB 0.436 32.165 31.700 0.047 0.000 0.785 635 V N -0.569 119.369 119.914 0.040 0.000 2.626 635 V HA -0.153 3.960 4.120 -0.011 0.000 0.252 635 V C 2.436 178.537 176.094 0.011 0.000 1.067 635 V CA 1.413 63.722 62.300 0.015 0.000 1.081 635 V CB -0.903 30.916 31.823 -0.006 0.000 0.686 635 V HN -0.017 nan 8.190 nan 0.000 0.468 636 V N -0.248 119.689 119.914 0.039 0.000 2.453 636 V HA 0.102 4.216 4.120 -0.011 0.000 0.247 636 V C 1.784 177.891 176.094 0.021 0.000 1.048 636 V CA 1.434 63.756 62.300 0.038 0.000 1.049 636 V CB -1.078 30.811 31.823 0.110 0.000 0.672 636 V HN 0.728 nan 8.190 nan 0.000 0.457 637 G N 1.502 110.321 108.800 0.031 0.000 2.574 637 G HA2 -0.410 3.544 3.960 -0.011 0.000 0.286 637 G HA3 -0.410 3.544 3.960 -0.011 0.000 0.286 637 G C 0.264 175.178 174.900 0.025 0.000 1.212 637 G CA 0.612 45.729 45.100 0.028 0.000 0.979 637 G HN 0.728 nan 8.290 nan 0.000 0.557 638 D N -0.170 120.246 120.400 0.026 0.000 2.358 638 D HA 0.323 4.956 4.640 -0.011 0.000 0.224 638 D C 1.860 178.161 176.300 0.002 0.000 1.123 638 D CA 0.222 54.239 54.000 0.029 0.000 0.833 638 D CB 0.130 40.963 40.800 0.056 0.000 0.946 638 D HN 0.559 nan 8.370 nan 0.000 0.505 639 R N -0.611 119.878 120.500 -0.020 0.000 2.236 639 R HA 0.277 4.610 4.340 -0.011 0.000 0.208 639 R C -0.209 176.050 176.300 -0.069 0.000 1.036 639 R CA 0.307 56.369 56.100 -0.063 0.000 1.001 639 R CB 0.180 30.422 30.300 -0.096 0.000 0.896 639 R HN 0.174 nan 8.270 nan 0.000 0.464 640 L N 0.589 121.788 121.223 -0.039 0.000 2.580 640 L HA 0.381 4.715 4.340 -0.011 0.000 0.266 640 L C -1.696 175.148 176.870 -0.043 0.000 0.955 640 L CA -0.535 54.277 54.840 -0.046 0.000 0.886 640 L CB 1.620 43.663 42.059 -0.027 0.000 1.263 640 L HN -0.159 nan 8.230 nan 0.000 0.406 641 R N 3.843 124.304 120.500 -0.064 0.000 2.599 641 R HA 0.752 5.086 4.340 -0.011 0.000 0.295 641 R C -1.424 174.818 176.300 -0.097 0.000 0.963 641 R CA -0.817 55.234 56.100 -0.081 0.000 0.883 641 R CB 2.331 32.584 30.300 -0.079 0.000 1.171 641 R HN 0.381 nan 8.270 nan 0.000 0.450 642 V N 5.027 124.880 119.914 -0.102 0.000 2.334 642 V HA 0.459 4.572 4.120 -0.011 0.000 0.281 642 V C -0.056 175.991 176.094 -0.079 0.000 1.016 642 V CA -0.615 61.627 62.300 -0.097 0.000 0.832 642 V CB 1.436 33.196 31.823 -0.105 0.000 0.999 642 V HN 0.556 nan 8.190 nan 0.000 0.439 643 I N 4.838 125.361 120.570 -0.079 0.000 2.465 643 I HA 0.446 4.609 4.170 -0.011 0.000 0.291 643 I C -0.737 175.360 176.117 -0.033 0.000 1.014 643 I CA -0.392 60.873 61.300 -0.058 0.000 1.093 643 I CB 1.995 39.935 38.000 -0.101 0.000 1.267 643 I HN 0.561 nan 8.210 nan 0.000 0.431 644 F N 7.494 127.377 119.950 -0.112 0.000 2.371 644 F HA 0.447 4.967 4.527 -0.011 0.000 0.363 644 F C -0.695 175.035 175.800 -0.117 0.000 1.122 644 F CA -0.749 57.185 58.000 -0.109 0.000 1.129 644 F CB 0.626 39.568 39.000 -0.097 0.000 1.173 644 F HN 0.139 nan 8.300 nan 0.000 0.489 645 L N 6.055 126.836 121.223 -0.738 0.000 2.407 645 L HA 0.153 4.486 4.340 -0.011 0.000 0.282 645 L C 0.361 176.898 176.870 -0.554 0.000 1.110 645 L CA 0.147 54.678 54.840 -0.515 0.000 0.863 645 L CB -0.015 41.843 42.059 -0.333 0.000 1.207 645 L HN 0.622 nan 8.230 nan 0.000 0.454 646 E N 3.080 123.091 120.200 -0.316 0.000 2.392 646 E HA -0.046 4.297 4.350 -0.011 0.000 0.264 646 E C 0.514 177.146 176.600 0.053 0.000 1.024 646 E CA -0.154 56.222 56.400 -0.040 0.000 0.903 646 E CB 0.292 29.979 29.700 -0.022 0.000 0.963 646 E HN 0.515 nan 8.360 nan 0.000 0.432 647 N N 2.466 121.268 118.700 0.170 0.000 2.705 647 N HA -0.287 4.447 4.740 -0.011 0.000 0.255 647 N C -1.532 174.065 175.510 0.144 0.000 1.008 647 N CA 0.533 53.685 53.050 0.171 0.000 0.742 647 N CB -1.365 37.245 38.487 0.204 0.000 0.906 647 N HN 0.433 nan 8.380 nan 0.000 0.541 648 Y N 1.498 121.793 120.300 -0.008 0.000 2.721 648 Y HA 0.155 4.698 4.550 -0.012 0.000 0.329 648 Y C 1.131 177.040 175.900 0.016 0.000 1.211 648 Y CA 0.419 58.502 58.100 -0.028 0.000 1.512 648 Y CB 0.275 38.688 38.460 -0.077 0.000 1.249 648 Y HN 0.370 nan 8.280 nan 0.000 0.549 649 R N 2.520 122.701 120.500 -0.531 0.000 2.844 649 R HA 0.494 4.827 4.340 -0.011 0.000 0.264 649 R C -0.211 175.754 176.300 -0.558 0.000 1.077 649 R CA -0.644 55.195 56.100 -0.435 0.000 0.953 649 R CB 0.345 30.581 30.300 -0.107 0.000 1.272 649 R HN 0.341 nan 8.270 nan 0.000 0.447 650 V N 1.084 120.702 119.914 -0.494 0.000 2.252 650 V HA -0.302 3.811 4.120 -0.011 0.000 0.249 650 V C 2.591 178.573 176.094 -0.186 0.000 1.056 650 V CA 2.871 64.952 62.300 -0.366 0.000 1.022 650 V CB -0.841 30.733 31.823 -0.416 0.000 0.641 650 V HN 0.943 nan 8.190 nan 0.000 0.445 651 S N 0.168 115.777 115.700 -0.152 0.000 2.382 651 S HA -0.186 4.278 4.470 -0.011 0.000 0.228 651 S C 1.935 176.500 174.600 -0.059 0.000 1.027 651 S CA 1.686 59.831 58.200 -0.093 0.000 0.991 651 S CB -0.577 62.596 63.200 -0.044 0.000 0.823 651 S HN 0.390 nan 8.310 nan 0.000 0.469 652 L N 1.987 123.178 121.223 -0.053 0.000 2.156 652 L HA 0.325 4.658 4.340 -0.011 0.000 0.208 652 L C 2.604 179.481 176.870 0.011 0.000 1.095 652 L CA 1.332 56.177 54.840 0.009 0.000 0.770 652 L CB -1.322 40.792 42.059 0.090 0.000 0.914 652 L HN 0.359 nan 8.230 nan 0.000 0.439 653 A N -0.724 122.079 122.820 -0.029 0.000 1.933 653 A HA -0.204 4.109 4.320 -0.011 0.000 0.218 653 A C 2.112 179.738 177.584 0.070 0.000 1.175 653 A CA 1.614 53.693 52.037 0.071 0.000 0.628 653 A CB -0.565 18.449 19.000 0.024 0.000 0.814 653 A HN 0.586 nan 8.150 nan 0.000 0.444 654 E N -0.324 119.926 120.200 0.084 0.000 2.333 654 E HA -0.166 4.177 4.350 -0.011 0.000 0.198 654 E C 1.812 178.392 176.600 -0.033 0.000 1.007 654 E CA 1.186 57.614 56.400 0.047 0.000 0.845 654 E CB -0.040 29.609 29.700 -0.085 0.000 0.766 654 E HN 0.632 nan 8.360 nan 0.000 0.507 655 K N -0.080 120.273 120.400 -0.078 0.000 2.141 655 K HA -0.017 4.296 4.320 -0.011 0.000 0.202 655 K C 2.230 178.637 176.600 -0.322 0.000 1.045 655 K CA 0.922 57.142 56.287 -0.112 0.000 0.971 655 K CB 0.254 32.690 32.500 -0.106 0.000 0.795 655 K HN -0.004 nan 8.250 nan 0.000 0.459 656 V N 0.915 120.533 119.914 -0.493 0.000 2.323 656 V HA -0.186 3.927 4.120 -0.011 0.000 0.244 656 V C 2.215 178.048 176.094 -0.435 0.000 1.041 656 V CA 1.326 63.129 62.300 -0.827 0.000 1.025 656 V CB -0.821 30.662 31.823 -0.568 0.000 0.656 656 V HN 0.182 nan 8.190 nan 0.000 0.451 657 I N 0.964 121.321 120.570 -0.355 0.000 2.151 657 I HA -0.165 3.998 4.170 -0.011 0.000 0.243 657 I C -0.060 175.931 176.117 -0.210 0.000 1.080 657 I CA 1.960 62.982 61.300 -0.462 0.000 1.339 657 I CB -1.675 35.935 38.000 -0.651 0.000 1.039 657 I HN 0.370 nan 8.210 nan 0.000 0.409 658 P HA -0.090 nan 4.420 nan 0.000 0.225 658 P C 0.871 178.169 177.300 -0.003 0.000 1.148 658 P CA 1.202 64.277 63.100 -0.041 0.000 0.779 658 P CB 0.035 31.722 31.700 -0.021 0.000 0.780 659 A N -1.237 121.566 122.820 -0.028 0.000 2.308 659 A HA 0.517 4.830 4.320 -0.011 0.000 0.217 659 A C 1.170 178.862 177.584 0.180 0.000 1.216 659 A CA 0.075 52.153 52.037 0.068 0.000 0.864 659 A CB -0.532 18.515 19.000 0.079 0.000 0.902 659 A HN 0.196 nan 8.150 nan 0.000 0.499 660 A N -0.132 122.788 122.820 0.167 0.000 2.340 660 A HA 0.489 4.802 4.320 -0.011 0.000 0.268 660 A C 0.331 178.062 177.584 0.245 0.000 1.100 660 A CA -0.131 52.067 52.037 0.269 0.000 0.803 660 A CB 0.370 19.627 19.000 0.428 0.000 1.043 660 A HN 0.256 nan 8.150 nan 0.000 0.488 661 D N 0.302 120.841 120.400 0.232 0.000 2.431 661 D HA 0.135 4.769 4.640 -0.011 0.000 0.235 661 D C -0.021 176.460 176.300 0.302 0.000 0.980 661 D CA 0.680 54.861 54.000 0.301 0.000 0.912 661 D CB 0.295 41.221 40.800 0.209 0.000 1.056 661 D HN 0.356 nan 8.370 nan 0.000 0.494 662 L N 1.290 122.582 121.223 0.115 0.000 2.349 662 L HA 0.289 4.622 4.340 -0.011 0.000 0.278 662 L C -0.713 176.004 176.870 -0.255 0.000 0.996 662 L CA -0.292 54.534 54.840 -0.025 0.000 0.825 662 L CB 2.017 44.046 42.059 -0.051 0.000 1.243 662 L HN -0.161 nan 8.230 nan 0.000 0.412 663 S N 4.399 119.846 115.700 -0.422 0.000 2.438 663 S HA 0.313 4.777 4.470 -0.011 0.000 0.293 663 S C -0.342 173.961 174.600 -0.495 0.000 1.141 663 S CA -0.675 57.010 58.200 -0.860 0.000 1.080 663 S CB 0.674 63.250 63.200 -1.040 0.000 0.978 663 S HN 0.553 nan 8.310 nan 0.000 0.479 664 E N 4.203 124.141 120.200 -0.437 0.000 2.044 664 E HA 0.192 4.535 4.350 -0.011 0.000 0.282 664 E C -0.501 175.997 176.600 -0.170 0.000 1.031 664 E CA -0.375 55.900 56.400 -0.209 0.000 0.824 664 E CB 0.938 30.548 29.700 -0.149 0.000 1.076 664 E HN 0.621 nan 8.360 nan 0.000 0.395 665 Q N 2.945 122.694 119.800 -0.084 0.000 2.965 665 Q HA 0.254 4.587 4.340 -0.011 0.000 0.288 665 Q C 0.634 176.621 176.000 -0.022 0.000 0.974 665 Q CA -0.143 55.623 55.803 -0.061 0.000 0.849 665 Q CB 0.267 28.981 28.738 -0.040 0.000 1.280 665 Q HN 0.609 nan 8.270 nan 0.000 0.441 666 I N -1.356 119.192 120.570 -0.037 0.000 3.626 666 I HA 0.268 4.431 4.170 -0.011 0.000 0.345 666 I C 0.243 176.308 176.117 -0.086 0.000 1.502 666 I CA -0.572 60.714 61.300 -0.023 0.000 1.135 666 I CB 0.109 38.102 38.000 -0.013 0.000 1.456 666 I HN -0.019 nan 8.210 nan 0.000 0.460 667 S N 0.485 116.132 115.700 -0.089 0.000 2.593 667 S HA 0.260 4.723 4.470 -0.011 0.000 0.269 667 S C 0.524 175.104 174.600 -0.033 0.000 1.334 667 S CA -0.342 57.819 58.200 -0.064 0.000 1.015 667 S CB 0.737 63.937 63.200 0.000 0.000 0.912 667 S HN 0.413 nan 8.310 nan 0.000 0.541 668 T N 2.609 117.178 114.554 0.025 0.000 2.902 668 T HA 0.389 4.733 4.350 -0.011 0.000 0.301 668 T C 0.720 175.433 174.700 0.023 0.000 1.012 668 T CA 0.210 62.334 62.100 0.039 0.000 1.151 668 T CB 0.009 68.969 68.868 0.154 0.000 0.946 668 T HN 0.996 nan 8.240 nan 0.000 0.542 669 A N 2.821 125.624 122.820 -0.029 0.000 2.580 669 A HA 0.437 4.750 4.320 -0.011 0.000 0.244 669 A C 1.654 179.233 177.584 -0.008 0.000 1.045 669 A CA 0.344 52.360 52.037 -0.035 0.000 0.761 669 A CB -0.937 18.030 19.000 -0.056 0.000 0.962 669 A HN 1.677 nan 8.150 nan 0.000 0.512 670 G N 1.456 110.251 108.800 -0.007 0.000 2.176 670 G HA2 -0.253 3.701 3.960 -0.011 0.000 0.232 670 G HA3 -0.253 3.701 3.960 -0.011 0.000 0.232 670 G C 0.959 175.854 174.900 -0.007 0.000 0.986 670 G CA 1.112 46.210 45.100 -0.004 0.000 0.643 670 G HN 2.014 nan 8.290 nan 0.000 0.522 671 T N -2.250 112.303 114.554 -0.002 0.000 3.034 671 T HA 0.382 4.726 4.350 -0.011 0.000 0.248 671 T C 0.810 175.405 174.700 -0.174 0.000 1.040 671 T CA 1.172 63.218 62.100 -0.089 0.000 1.107 671 T CB 0.486 69.345 68.868 -0.015 0.000 0.932 671 T HN 0.313 nan 8.240 nan 0.000 0.474 672 E N 1.411 121.627 120.200 0.028 0.000 2.001 672 E HA 0.660 5.004 4.350 -0.011 0.000 0.279 672 E C 1.217 177.794 176.600 -0.038 0.000 1.045 672 E CA 0.082 56.539 56.400 0.094 0.000 0.833 672 E CB 0.691 30.485 29.700 0.157 0.000 1.077 672 E HN 0.337 nan 8.360 nan 0.000 0.397 673 A N 3.467 126.191 122.820 -0.159 0.000 1.896 673 A HA -0.276 4.037 4.320 -0.011 0.000 0.220 673 A C 1.994 179.481 177.584 -0.161 0.000 1.206 673 A CA 2.490 54.312 52.037 -0.357 0.000 0.647 673 A CB -0.388 18.195 19.000 -0.696 0.000 0.828 673 A HN 0.622 nan 8.150 nan 0.000 0.455 674 S N -4.273 111.380 115.700 -0.077 0.000 4.193 674 S HA 0.455 4.918 4.470 -0.011 0.000 0.211 674 S C 0.660 175.258 174.600 -0.004 0.000 1.162 674 S CA 1.354 59.546 58.200 -0.012 0.000 1.039 674 S CB -0.090 63.123 63.200 0.021 0.000 1.371 674 S HN 2.370 nan 8.310 nan 0.000 0.550 675 G N 0.218 109.020 108.800 0.004 0.000 2.692 675 G HA2 -0.014 3.939 3.960 -0.011 0.000 0.686 675 G HA3 -0.014 3.939 3.960 -0.011 0.000 0.686 675 G C 0.205 175.092 174.900 -0.021 0.000 1.243 675 G CA 0.450 45.548 45.100 -0.003 0.000 0.782 675 G HN 1.316 nan 8.290 nan 0.000 0.625 676 T N -1.977 112.551 114.554 -0.044 0.000 3.029 676 T HA 0.375 4.718 4.350 -0.011 0.000 0.256 676 T C 2.349 176.957 174.700 -0.154 0.000 0.914 676 T CA 1.211 63.258 62.100 -0.088 0.000 0.880 676 T CB 0.345 69.156 68.868 -0.094 0.000 1.246 676 T HN 1.858 nan 8.240 nan 0.000 0.523 677 G N 3.139 111.870 108.800 -0.114 0.000 2.422 677 G HA2 -0.256 3.697 3.960 -0.011 0.000 0.218 677 G HA3 -0.256 3.697 3.960 -0.011 0.000 0.218 677 G C 1.443 176.376 174.900 0.055 0.000 1.146 677 G CA 1.163 46.204 45.100 -0.099 0.000 0.769 677 G HN 0.816 nan 8.290 nan 0.000 0.547 678 N N 0.247 118.971 118.700 0.040 0.000 2.104 678 N HA -0.158 4.575 4.740 -0.011 0.000 0.190 678 N C 2.210 177.722 175.510 0.003 0.000 1.024 678 N CA 1.400 54.480 53.050 0.049 0.000 0.853 678 N CB -0.377 38.096 38.487 -0.023 0.000 1.008 678 N HN 0.347 nan 8.380 nan 0.000 0.424 679 M N 0.680 120.215 119.600 -0.109 0.000 2.229 679 M HA -0.016 4.457 4.480 -0.011 0.000 0.264 679 M C 1.983 178.227 176.300 -0.094 0.000 1.063 679 M CA 1.373 56.587 55.300 -0.144 0.000 1.114 679 M CB -0.096 32.422 32.600 -0.137 0.000 1.387 679 M HN 0.106 nan 8.290 nan 0.000 0.420 680 K N 0.151 120.430 120.400 -0.201 0.000 2.057 680 K HA -0.098 4.216 4.320 -0.011 0.000 0.207 680 K C 1.695 178.174 176.600 -0.203 0.000 1.049 680 K CA 1.393 57.486 56.287 -0.323 0.000 0.931 680 K CB -0.233 31.844 32.500 -0.705 0.000 0.714 680 K HN 0.142 nan 8.250 nan 0.000 0.440 681 F N 1.062 120.930 119.950 -0.136 0.000 2.186 681 F HA -0.124 4.396 4.527 -0.012 0.000 0.299 681 F C 2.518 178.283 175.800 -0.059 0.000 1.090 681 F CA 1.182 59.128 58.000 -0.090 0.000 1.307 681 F CB -0.284 38.655 39.000 -0.103 0.000 1.019 681 F HN 0.007 nan 8.300 nan 0.000 0.489 682 M N -0.488 119.191 119.600 0.131 0.000 2.159 682 M HA -0.183 4.290 4.480 -0.011 0.000 0.263 682 M C 2.007 178.356 176.300 0.082 0.000 1.063 682 M CA 1.550 56.898 55.300 0.081 0.000 1.110 682 M CB -0.181 32.460 32.600 0.069 0.000 1.374 682 M HN 0.271 nan 8.290 nan 0.000 0.411 683 L N 0.652 121.921 121.223 0.077 0.000 2.313 683 L HA -0.018 4.315 4.340 -0.011 0.000 0.214 683 L C 1.275 178.188 176.870 0.070 0.000 1.119 683 L CA 1.474 56.366 54.840 0.088 0.000 0.809 683 L CB -0.498 41.622 42.059 0.102 0.000 0.933 683 L HN 0.327 nan 8.230 nan 0.000 0.449 684 N N -0.105 118.627 118.700 0.054 0.000 2.251 684 N HA 0.171 4.904 4.740 -0.011 0.000 0.217 684 N C 0.819 176.362 175.510 0.056 0.000 1.124 684 N CA 0.781 53.857 53.050 0.043 0.000 0.843 684 N CB 0.555 39.045 38.487 0.004 0.000 1.024 684 N HN 0.404 nan 8.380 nan 0.000 0.501 685 G N 0.439 109.275 108.800 0.061 0.000 2.142 685 G HA2 -0.196 3.757 3.960 -0.011 0.000 0.225 685 G HA3 -0.196 3.757 3.960 -0.011 0.000 0.225 685 G C -0.004 174.958 174.900 0.103 0.000 1.015 685 G CA 0.153 45.290 45.100 0.061 0.000 0.716 685 G HN 0.526 nan 8.290 nan 0.000 0.508 686 A N -0.663 122.226 122.820 0.115 0.000 2.320 686 A HA 0.909 5.222 4.320 -0.011 0.000 0.334 686 A C -0.258 177.319 177.584 -0.012 0.000 1.147 686 A CA -0.669 51.447 52.037 0.132 0.000 0.820 686 A CB 1.456 20.593 19.000 0.229 0.000 1.218 686 A HN 0.792 nan 8.150 nan 0.000 0.482 687 L N 0.582 121.760 121.223 -0.076 0.000 2.360 687 L HA 0.581 4.914 4.340 -0.011 0.000 0.271 687 L C 0.426 177.155 176.870 -0.235 0.000 1.057 687 L CA 0.403 55.101 54.840 -0.237 0.000 0.803 687 L CB 1.732 43.557 42.059 -0.390 0.000 1.207 687 L HN 0.742 nan 8.230 nan 0.000 0.445 688 T N 4.069 118.363 114.554 -0.434 0.000 2.794 688 T HA 0.529 4.872 4.350 -0.011 0.000 0.280 688 T C -0.331 174.233 174.700 -0.228 0.000 0.987 688 T CA -0.157 61.671 62.100 -0.453 0.000 0.993 688 T CB 0.933 69.348 68.868 -0.755 0.000 0.939 688 T HN 0.446 nan 8.240 nan 0.000 0.449 689 I N 2.992 123.523 120.570 -0.065 0.000 2.355 689 I HA 0.712 4.875 4.170 -0.011 0.000 0.288 689 I C 0.099 176.368 176.117 0.254 0.000 0.999 689 I CA 0.086 61.469 61.300 0.139 0.000 1.163 689 I CB 0.234 38.244 38.000 0.017 0.000 1.316 689 I HN 0.789 nan 8.210 nan 0.000 0.454 690 G N 3.986 113.003 108.800 0.361 0.000 2.606 690 G HA2 0.490 4.444 3.960 -0.011 0.000 0.300 690 G HA3 0.490 4.444 3.960 -0.011 0.000 0.300 690 G C -0.940 173.859 174.900 -0.168 0.000 1.360 690 G CA -0.270 44.953 45.100 0.205 0.000 0.783 690 G HN 0.547 nan 8.290 nan 0.000 0.484 691 T N -1.826 112.525 114.554 -0.339 0.000 2.912 691 T HA 0.554 4.897 4.350 -0.011 0.000 0.280 691 T C 0.598 175.180 174.700 -0.197 0.000 0.989 691 T CA -0.731 61.094 62.100 -0.457 0.000 0.995 691 T CB 1.310 69.915 68.868 -0.438 0.000 1.077 691 T HN 0.253 nan 8.240 nan 0.000 0.531 692 M N 2.845 122.341 119.600 -0.173 0.000 3.237 692 M HA 0.324 4.797 4.480 -0.011 0.000 0.266 692 M C -0.539 175.710 176.300 -0.086 0.000 1.456 692 M CA -0.000 55.234 55.300 -0.109 0.000 1.593 692 M CB -1.718 30.826 32.600 -0.093 0.000 1.129 692 M HN 0.725 nan 8.290 nan 0.000 0.547 693 D N 0.042 120.398 120.400 -0.073 0.000 2.671 693 D HA 0.668 5.302 4.640 -0.011 0.000 0.232 693 D C 0.742 177.025 176.300 -0.029 0.000 1.114 693 D CA 0.687 54.660 54.000 -0.045 0.000 0.858 693 D CB 1.757 42.532 40.800 -0.042 0.000 1.544 693 D HN 0.605 nan 8.370 nan 0.000 0.471 694 G N 1.840 110.633 108.800 -0.010 0.000 2.652 694 G HA2 -0.282 3.671 3.960 -0.011 0.000 0.318 694 G HA3 -0.282 3.671 3.960 -0.011 0.000 0.318 694 G C 1.074 175.973 174.900 -0.002 0.000 1.295 694 G CA 1.203 46.303 45.100 0.000 0.000 0.999 694 G HN 1.042 nan 8.290 nan 0.000 0.548 695 A N -0.371 122.445 122.820 -0.007 0.000 2.168 695 A HA 0.080 4.393 4.320 -0.011 0.000 0.215 695 A C 2.109 179.640 177.584 -0.089 0.000 1.152 695 A CA 1.892 53.921 52.037 -0.014 0.000 0.716 695 A CB -0.452 18.531 19.000 -0.029 0.000 0.794 695 A HN 0.615 nan 8.150 nan 0.000 0.465 696 N N 0.392 119.044 118.700 -0.080 0.000 2.192 696 N HA -0.144 4.590 4.740 -0.011 0.000 0.188 696 N C 1.545 176.931 175.510 -0.207 0.000 1.013 696 N CA 1.571 54.563 53.050 -0.096 0.000 0.863 696 N CB -0.501 37.976 38.487 -0.018 0.000 0.990 696 N HN 0.303 nan 8.380 nan 0.000 0.430 697 V N 1.037 120.873 119.914 -0.131 0.000 2.358 697 V HA -0.175 3.938 4.120 -0.011 0.000 0.246 697 V C 1.897 177.917 176.094 -0.123 0.000 1.047 697 V CA 1.561 63.780 62.300 -0.135 0.000 1.035 697 V CB -0.445 31.335 31.823 -0.073 0.000 0.658 697 V HN 0.329 nan 8.190 nan 0.000 0.452 698 E N -0.554 119.630 120.200 -0.027 0.000 2.216 698 E HA -0.110 4.233 4.350 -0.011 0.000 0.192 698 E C 2.190 178.894 176.600 0.174 0.000 0.988 698 E CA 0.951 57.408 56.400 0.096 0.000 0.834 698 E CB -0.149 29.692 29.700 0.234 0.000 0.772 698 E HN 0.542 nan 8.360 nan 0.000 0.479 699 M N 0.274 119.858 119.600 -0.026 0.000 2.099 699 M HA -0.093 4.380 4.480 -0.011 0.000 0.262 699 M C 2.431 178.487 176.300 -0.407 0.000 1.067 699 M CA 1.440 56.654 55.300 -0.144 0.000 1.124 699 M CB -0.069 32.329 32.600 -0.337 0.000 1.353 699 M HN 0.125 nan 8.290 nan 0.000 0.410 700 A N -0.147 122.140 122.820 -0.888 0.000 1.969 700 A HA -0.188 4.125 4.320 -0.011 0.000 0.218 700 A C 1.973 179.354 177.584 -0.339 0.000 1.169 700 A CA 1.763 53.232 52.037 -0.947 0.000 0.635 700 A CB -0.738 17.701 19.000 -0.934 0.000 0.810 700 A HN 0.597 nan 8.150 nan 0.000 0.445 701 E N -0.435 119.635 120.200 -0.216 0.000 2.152 701 E HA -0.187 4.156 4.350 -0.011 0.000 0.192 701 E C 1.613 178.184 176.600 -0.050 0.000 0.983 701 E CA 1.072 57.411 56.400 -0.101 0.000 0.818 701 E CB -0.047 29.613 29.700 -0.066 0.000 0.758 701 E HN 0.505 nan 8.360 nan 0.000 0.467 702 E N 0.209 120.405 120.200 -0.007 0.000 2.076 702 E HA -0.056 4.287 4.350 -0.011 0.000 0.190 702 E C 1.821 178.446 176.600 0.042 0.000 0.979 702 E CA 1.097 57.521 56.400 0.041 0.000 0.807 702 E CB -0.065 29.724 29.700 0.149 0.000 0.761 702 E HN 0.362 nan 8.360 nan 0.000 0.454 703 A N 0.280 123.128 122.820 0.047 0.000 2.081 703 A HA 0.344 4.658 4.320 -0.011 0.000 0.214 703 A C 1.005 178.609 177.584 0.033 0.000 1.158 703 A CA 1.079 53.160 52.037 0.075 0.000 0.724 703 A CB 0.017 19.125 19.000 0.180 0.000 0.826 703 A HN 0.230 nan 8.150 nan 0.000 0.463 704 G N -0.503 108.290 108.800 -0.012 0.000 3.209 704 G HA2 -0.091 3.863 3.960 -0.011 0.000 0.686 704 G HA3 -0.091 3.863 3.960 -0.011 0.000 0.686 704 G C -0.045 174.841 174.900 -0.024 0.000 1.065 704 G CA 0.016 45.102 45.100 -0.023 0.000 0.812 704 G HN 0.252 nan 8.290 nan 0.000 0.573 705 E N 0.853 121.024 120.200 -0.047 0.000 2.219 705 E HA -0.182 4.161 4.350 -0.011 0.000 0.198 705 E C 2.067 178.654 176.600 -0.021 0.000 0.998 705 E CA 1.814 58.194 56.400 -0.033 0.000 0.818 705 E CB 0.072 29.747 29.700 -0.042 0.000 0.741 705 E HN 0.794 nan 8.360 nan 0.000 0.477 706 E N 0.534 120.708 120.200 -0.043 0.000 2.268 706 E HA -0.097 4.247 4.350 -0.011 0.000 0.195 706 E C 0.938 177.449 176.600 -0.147 0.000 0.995 706 E CA 0.685 57.035 56.400 -0.082 0.000 0.836 706 E CB 0.022 29.686 29.700 -0.060 0.000 0.763 706 E HN 0.166 nan 8.360 nan 0.000 0.491 707 N N -0.297 118.349 118.700 -0.091 0.000 2.251 707 N HA 0.139 4.872 4.740 -0.011 0.000 0.217 707 N C -0.938 174.493 175.510 -0.131 0.000 1.124 707 N CA 0.119 53.088 53.050 -0.135 0.000 0.843 707 N CB 0.356 38.819 38.487 -0.039 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.470 119.267 119.950 -0.355 0.000 2.588 708 F HA 0.409 4.929 4.527 -0.012 0.000 0.314 708 F C -0.759 174.813 175.800 -0.380 0.000 1.069 708 F CA -1.116 56.715 58.000 -0.282 0.000 0.931 708 F CB 1.375 40.300 39.000 -0.125 0.000 1.260 708 F HN -0.220 nan 8.300 nan 0.000 0.465 709 F N 4.813 124.762 119.950 -0.001 0.000 2.344 709 F HA 0.432 4.953 4.527 -0.011 0.000 0.344 709 F C -0.348 175.580 175.800 0.215 0.000 1.140 709 F CA -0.466 57.574 58.000 0.067 0.000 1.256 709 F CB -0.040 38.945 39.000 -0.025 0.000 1.573 709 F HN 0.049 nan 8.300 nan 0.000 0.547 710 I N 3.213 123.988 120.570 0.343 0.000 2.472 710 I HA 0.390 4.553 4.170 -0.011 0.000 0.290 710 I C -0.078 176.217 176.117 0.296 0.000 1.016 710 I CA -0.349 61.111 61.300 0.266 0.000 1.348 710 I CB 0.618 38.699 38.000 0.134 0.000 1.417 710 I HN 0.347 nan 8.210 nan 0.000 0.521 711 F N 3.004 123.021 119.950 0.112 0.000 2.789 711 F HA 0.916 5.436 4.527 -0.012 0.000 0.319 711 F C 0.175 176.018 175.800 0.072 0.000 1.168 711 F CA -0.557 57.499 58.000 0.093 0.000 0.934 711 F CB 0.539 39.608 39.000 0.114 0.000 1.375 711 F HN 0.838 nan 8.300 nan 0.000 0.480 712 G N 0.797 109.697 108.800 0.166 0.000 2.750 712 G HA2 -0.153 3.801 3.960 -0.011 0.000 0.228 712 G HA3 -0.153 3.801 3.960 -0.011 0.000 0.228 712 G C -0.792 174.092 174.900 -0.027 0.000 1.367 712 G CA -0.405 44.719 45.100 0.040 0.000 0.871 712 G HN 0.947 nan 8.290 nan 0.000 0.560 713 M N 0.592 120.180 119.600 -0.020 0.000 2.248 713 M HA 0.317 4.790 4.480 -0.011 0.000 0.337 713 M C 1.072 177.340 176.300 -0.053 0.000 1.121 713 M CA -0.069 55.223 55.300 -0.013 0.000 1.155 713 M CB 0.510 33.110 32.600 -0.000 0.000 1.514 713 M HN 0.537 nan 8.290 nan 0.000 0.452 714 R N 1.369 121.850 120.500 -0.031 0.000 2.608 714 R HA 0.312 4.645 4.340 -0.011 0.000 0.255 714 R C 1.110 177.393 176.300 -0.030 0.000 1.086 714 R CA -0.716 55.360 56.100 -0.039 0.000 1.125 714 R CB 0.002 30.286 30.300 -0.027 0.000 1.193 714 R HN 0.572 nan 8.270 nan 0.000 0.553 715 V N 1.659 121.554 119.914 -0.031 0.000 2.324 715 V HA -0.281 3.833 4.120 -0.011 0.000 0.250 715 V C 1.734 177.818 176.094 -0.017 0.000 1.060 715 V CA 2.146 64.431 62.300 -0.025 0.000 1.042 715 V CB -0.416 31.390 31.823 -0.028 0.000 0.650 715 V HN 0.611 nan 8.190 nan 0.000 0.450 716 E N -0.221 119.971 120.200 -0.013 0.000 2.150 716 E HA -0.164 4.179 4.350 -0.011 0.000 0.193 716 E C 1.791 178.394 176.600 0.006 0.000 0.985 716 E CA 1.195 57.592 56.400 -0.005 0.000 0.814 716 E CB -0.697 29.000 29.700 -0.005 0.000 0.752 716 E HN 0.621 nan 8.360 nan 0.000 0.466 717 D N 0.578 120.984 120.400 0.010 0.000 2.149 717 D HA -0.061 4.572 4.640 -0.011 0.000 0.201 717 D C 2.000 178.317 176.300 0.028 0.000 0.972 717 D CA 0.833 54.849 54.000 0.027 0.000 0.835 717 D CB 0.138 40.958 40.800 0.033 0.000 0.966 717 D HN 0.058 nan 8.370 nan 0.000 0.476 718 V N 1.876 121.794 119.914 0.007 0.000 2.295 718 V HA -0.209 3.905 4.120 -0.011 0.000 0.246 718 V C 1.974 178.070 176.094 0.003 0.000 1.049 718 V CA 1.665 63.962 62.300 -0.005 0.000 1.024 718 V CB -0.387 31.423 31.823 -0.023 0.000 0.648 718 V HN 0.023 nan 8.190 nan 0.000 0.447 719 D N -0.303 120.098 120.400 0.002 0.000 2.144 719 D HA -0.142 4.491 4.640 -0.011 0.000 0.199 719 D C 2.375 178.687 176.300 0.020 0.000 0.984 719 D CA 1.114 55.117 54.000 0.004 0.000 0.834 719 D CB -0.240 40.558 40.800 -0.003 0.000 0.955 719 D HN 0.295 nan 8.370 nan 0.000 0.465 720 R N 0.108 120.624 120.500 0.028 0.000 2.081 720 R HA -0.028 4.305 4.340 -0.011 0.000 0.235 720 R C 2.437 178.772 176.300 0.059 0.000 1.131 720 R CA 0.578 56.701 56.100 0.040 0.000 0.960 720 R CB -0.329 29.997 30.300 0.043 0.000 0.856 720 R HN 0.183 nan 8.270 nan 0.000 0.436 721 L N 0.472 121.740 121.223 0.075 0.000 2.083 721 L HA -0.209 4.125 4.340 -0.011 0.000 0.209 721 L C 1.365 178.302 176.870 0.112 0.000 1.083 721 L CA 1.423 56.335 54.840 0.119 0.000 0.752 721 L CB -0.265 41.879 42.059 0.142 0.000 0.899 721 L HN 0.275 nan 8.230 nan 0.000 0.433 722 D N -0.849 119.591 120.400 0.067 0.000 2.183 722 D HA -0.157 4.476 4.640 -0.011 0.000 0.203 722 D C 2.287 178.617 176.300 0.051 0.000 0.969 722 D CA 0.769 54.802 54.000 0.055 0.000 0.842 722 D CB 0.077 40.888 40.800 0.019 0.000 0.957 722 D HN 0.392 nan 8.370 nan 0.000 0.484 723 Q N 0.607 120.433 119.800 0.044 0.000 2.020 723 Q HA -0.153 4.180 4.340 -0.011 0.000 0.202 723 Q C 2.300 178.327 176.000 0.045 0.000 0.982 723 Q CA 1.042 56.867 55.803 0.037 0.000 0.838 723 Q CB -0.523 28.233 28.738 0.030 0.000 0.899 723 Q HN 0.472 nan 8.270 nan 0.000 0.423 724 R N 0.559 121.093 120.500 0.057 0.000 2.090 724 R HA 0.070 4.404 4.340 -0.011 0.000 0.228 724 R C 0.250 176.590 176.300 0.067 0.000 1.110 724 R CA 1.259 57.394 56.100 0.058 0.000 0.973 724 R CB -0.024 30.314 30.300 0.063 0.000 0.869 724 R HN 0.174 nan 8.270 nan 0.000 0.440 725 G N 0.447 109.303 108.800 0.093 0.000 3.363 725 G HA2 -0.181 3.772 3.960 -0.011 0.000 0.685 725 G HA3 -0.181 3.772 3.960 -0.011 0.000 0.685 725 G C -1.624 173.373 174.900 0.161 0.000 1.199 725 G CA -0.339 44.825 45.100 0.107 0.000 0.946 725 G HN 0.328 nan 8.290 nan 0.000 0.558 726 Y N 3.793 124.129 120.300 0.061 0.000 2.393 726 Y HA 0.571 5.115 4.550 -0.011 0.000 0.338 726 Y C 0.372 176.331 175.900 0.099 0.000 1.029 726 Y CA -0.819 57.336 58.100 0.091 0.000 1.239 726 Y CB 0.940 39.432 38.460 0.054 0.000 1.170 726 Y HN 0.558 nan 8.280 nan 0.000 0.515 727 N N 5.182 123.640 118.700 -0.402 0.000 2.569 727 N HA 0.279 5.012 4.740 -0.011 0.000 0.254 727 N C 0.138 175.393 175.510 -0.424 0.000 1.004 727 N CA 0.267 53.106 53.050 -0.351 0.000 0.904 727 N CB 1.504 39.919 38.487 -0.121 0.000 1.165 727 N HN 0.891 nan 8.380 nan 0.000 0.513 728 A N 2.969 125.462 122.820 -0.546 0.000 2.019 728 A HA -0.209 4.104 4.320 -0.011 0.000 0.219 728 A C 1.952 179.683 177.584 0.245 0.000 1.164 728 A CA 1.337 53.322 52.037 -0.087 0.000 0.644 728 A CB -0.268 18.645 19.000 -0.145 0.000 0.805 728 A HN 0.758 nan 8.150 nan 0.000 0.449 729 Q N 0.175 120.002 119.800 0.045 0.000 2.135 729 Q HA -0.218 4.115 4.340 -0.011 0.000 0.204 729 Q C 1.908 177.977 176.000 0.115 0.000 0.981 729 Q CA 2.186 58.029 55.803 0.067 0.000 0.856 729 Q CB -0.318 28.413 28.738 -0.012 0.000 0.902 729 Q HN 0.762 nan 8.270 nan 0.000 0.425 730 E N -1.258 118.953 120.200 0.018 0.000 2.070 730 E HA -0.247 4.096 4.350 -0.011 0.000 0.197 730 E C 1.657 178.180 176.600 -0.129 0.000 1.004 730 E CA 1.601 57.938 56.400 -0.105 0.000 0.805 730 E CB -0.218 29.325 29.700 -0.262 0.000 0.744 730 E HN 0.564 nan 8.360 nan 0.000 0.451 731 Y N -1.111 119.236 120.300 0.078 0.000 2.200 731 Y HA -0.234 4.309 4.550 -0.011 0.000 0.290 731 Y C 2.225 178.090 175.900 -0.059 0.000 1.137 731 Y CA 1.593 59.722 58.100 0.049 0.000 1.163 731 Y CB -0.629 37.917 38.460 0.143 0.000 0.988 731 Y HN 0.258 nan 8.280 nan 0.000 0.518 732 Y N 1.155 121.437 120.300 -0.029 0.000 2.224 732 Y HA -0.257 4.287 4.550 -0.011 0.000 0.289 732 Y C 1.822 177.663 175.900 -0.097 0.000 1.146 732 Y CA 1.738 59.745 58.100 -0.155 0.000 1.182 732 Y CB -0.334 38.083 38.460 -0.071 0.000 0.983 732 Y HN 0.083 nan 8.280 nan 0.000 0.524 733 D N -0.230 120.231 120.400 0.102 0.000 2.123 733 D HA -0.101 4.533 4.640 -0.011 0.000 0.200 733 D C 1.934 178.193 176.300 -0.069 0.000 0.976 733 D CA 1.196 55.209 54.000 0.022 0.000 0.831 733 D CB -0.104 40.732 40.800 0.059 0.000 0.974 733 D HN 0.468 nan 8.370 nan 0.000 0.469 734 R N 0.083 120.543 120.500 -0.067 0.000 2.276 734 R HA 0.204 4.537 4.340 -0.011 0.000 0.196 734 R C 0.440 176.706 176.300 -0.056 0.000 0.961 734 R CA 0.165 56.228 56.100 -0.062 0.000 1.024 734 R CB 0.645 30.909 30.300 -0.061 0.000 0.940 734 R HN 0.186 nan 8.270 nan 0.000 0.480 735 I N 2.339 122.855 120.570 -0.091 0.000 2.437 735 I HA 0.212 4.375 4.170 -0.011 0.000 0.279 735 I C -1.870 174.146 176.117 -0.168 0.000 1.028 735 I CA -2.442 58.813 61.300 -0.075 0.000 1.142 735 I CB 2.285 40.280 38.000 -0.009 0.000 1.266 735 I HN -0.272 nan 8.210 nan 0.000 0.461 736 P HA -0.157 nan 4.420 nan 0.000 0.215 736 P C 1.180 178.387 177.300 -0.156 0.000 1.153 736 P CA 1.336 64.341 63.100 -0.157 0.000 0.853 736 P CB 0.297 31.938 31.700 -0.098 0.000 0.788 737 E N -0.894 119.255 120.200 -0.086 0.000 2.110 737 E HA -0.170 4.173 4.350 -0.011 0.000 0.193 737 E C 1.886 178.405 176.600 -0.134 0.000 0.988 737 E CA 0.814 57.185 56.400 -0.049 0.000 0.804 737 E CB -0.633 29.110 29.700 0.072 0.000 0.745 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.396 122.459 121.223 -0.267 0.000 2.056 738 L HA -0.134 4.199 4.340 -0.011 0.000 0.207 738 L C 2.405 179.010 176.870 -0.442 0.000 1.078 738 L CA 1.660 56.172 54.840 -0.547 0.000 0.749 738 L CB -0.401 41.190 42.059 -0.780 0.000 0.901 738 L HN -0.080 nan 8.230 nan 0.000 0.433 739 R N -0.754 119.449 120.500 -0.495 0.000 2.091 739 R HA -0.243 4.091 4.340 -0.011 0.000 0.238 739 R C 2.377 178.506 176.300 -0.286 0.000 1.136 739 R CA 1.961 57.674 56.100 -0.646 0.000 0.959 739 R CB -0.385 29.430 30.300 -0.808 0.000 0.856 739 R HN 0.648 nan 8.270 nan 0.000 0.437 740 Q N 0.462 120.134 119.800 -0.213 0.000 2.124 740 Q HA -0.176 4.157 4.340 -0.011 0.000 0.202 740 Q C 2.048 177.999 176.000 -0.081 0.000 0.977 740 Q CA 1.813 57.539 55.803 -0.128 0.000 0.850 740 Q CB -0.089 28.576 28.738 -0.121 0.000 0.901 740 Q HN 0.494 nan 8.270 nan 0.000 0.429 741 I N 0.155 120.679 120.570 -0.078 0.000 2.202 741 I HA -0.280 3.884 4.170 -0.011 0.000 0.242 741 I C 2.139 178.288 176.117 0.052 0.000 1.091 741 I CA 0.855 62.152 61.300 -0.004 0.000 1.368 741 I CB -0.194 37.782 38.000 -0.038 0.000 1.058 741 I HN 0.229 nan 8.210 nan 0.000 0.410 742 I N 0.751 121.347 120.570 0.043 0.000 2.335 742 I HA -0.276 3.888 4.170 -0.011 0.000 0.251 742 I C 2.353 178.572 176.117 0.169 0.000 1.129 742 I CA 1.608 62.997 61.300 0.149 0.000 1.402 742 I CB -0.363 37.802 38.000 0.276 0.000 1.069 742 I HN 0.211 nan 8.210 nan 0.000 0.424 743 E N -0.433 119.847 120.200 0.132 0.000 2.285 743 E HA -0.195 4.148 4.350 -0.011 0.000 0.194 743 E C 2.066 178.731 176.600 0.108 0.000 0.997 743 E CA 0.495 56.967 56.400 0.121 0.000 0.845 743 E CB -0.065 29.684 29.700 0.082 0.000 0.782 743 E HN 0.590 nan 8.360 nan 0.000 0.491 744 Q N 0.492 120.348 119.800 0.094 0.000 2.083 744 Q HA -0.051 4.282 4.340 -0.011 0.000 0.198 744 Q C 2.246 178.432 176.000 0.310 0.000 0.969 744 Q CA 0.795 56.666 55.803 0.112 0.000 0.838 744 Q CB 0.151 28.896 28.738 0.011 0.000 0.900 744 Q HN 0.273 nan 8.270 nan 0.000 0.436 745 L N -0.439 120.979 121.223 0.325 0.000 2.056 745 L HA -0.149 4.184 4.340 -0.011 0.000 0.207 745 L C 2.393 179.452 176.870 0.315 0.000 1.078 745 L CA 0.804 55.859 54.840 0.358 0.000 0.749 745 L CB -0.300 41.885 42.059 0.210 0.000 0.901 745 L HN 0.132 nan 8.230 nan 0.000 0.433 746 S N -0.324 115.514 115.700 0.230 0.000 2.383 746 S HA -0.136 4.328 4.470 -0.011 0.000 0.227 746 S C 2.037 176.738 174.600 0.168 0.000 1.026 746 S CA 1.525 59.837 58.200 0.187 0.000 0.981 746 S CB -0.119 63.170 63.200 0.149 0.000 0.818 746 S HN 0.591 nan 8.310 nan 0.000 0.472 747 S N 0.110 115.912 115.700 0.170 0.000 2.593 747 S HA 0.347 4.810 4.470 -0.011 0.000 0.217 747 S C 1.324 176.015 174.600 0.153 0.000 0.966 747 S CA 0.679 58.964 58.200 0.142 0.000 0.914 747 S CB 0.103 63.377 63.200 0.123 0.000 0.776 747 S HN 0.740 nan 8.310 nan 0.000 0.523 748 G N 0.858 109.780 108.800 0.204 0.000 2.132 748 G HA2 -0.307 3.646 3.960 -0.011 0.000 0.234 748 G HA3 -0.307 3.646 3.960 -0.011 0.000 0.234 748 G C 0.192 175.185 174.900 0.156 0.000 0.989 748 G CA 0.146 45.355 45.100 0.183 0.000 0.676 748 G HN 0.593 nan 8.290 nan 0.000 0.522 749 F N 0.136 120.095 119.950 0.015 0.000 2.202 749 F HA 0.195 4.715 4.527 -0.011 0.000 0.301 749 F C 1.864 177.477 175.800 -0.312 0.000 1.082 749 F CA 1.940 59.833 58.000 -0.179 0.000 1.313 749 F CB -0.048 38.773 39.000 -0.299 0.000 1.024 749 F HN 0.163 nan 8.300 nan 0.000 0.495 750 F N -0.216 119.830 119.950 0.158 0.000 2.727 750 F HA 0.202 4.722 4.527 -0.011 0.000 0.302 750 F C 0.695 176.575 175.800 0.133 0.000 1.097 750 F CA 0.252 58.297 58.000 0.074 0.000 1.330 750 F CB -0.045 39.035 39.000 0.134 0.000 1.084 750 F HN -0.029 nan 8.300 nan 0.000 0.578 751 S N -1.554 114.289 115.700 0.238 0.000 2.386 751 S HA 0.332 4.796 4.470 -0.011 0.000 0.152 751 S C -2.462 172.160 174.600 0.037 0.000 1.511 751 S CA -1.124 57.148 58.200 0.121 0.000 1.246 751 S CB 1.078 64.311 63.200 0.054 0.000 1.338 751 S HN -0.193 nan 8.310 nan 0.000 0.409 752 P HA -0.122 nan 4.420 nan 0.000 0.214 752 P C 1.171 178.466 177.300 -0.009 0.000 1.163 752 P CA 1.450 64.534 63.100 -0.027 0.000 0.889 752 P CB 0.078 31.740 31.700 -0.063 0.000 0.790 753 K N -0.977 119.416 120.400 -0.011 0.000 2.211 753 K HA -0.084 4.229 4.320 -0.011 0.000 0.203 753 K C 0.658 177.257 176.600 -0.001 0.000 1.050 753 K CA 1.010 57.294 56.287 -0.005 0.000 0.945 753 K CB -0.212 32.287 32.500 -0.002 0.000 0.732 753 K HN 0.334 nan 8.250 nan 0.000 0.451 754 Q N -0.315 119.481 119.800 -0.006 0.000 2.907 754 Q HA 0.158 4.491 4.340 -0.011 0.000 0.262 754 Q C -2.347 173.645 176.000 -0.014 0.000 0.997 754 Q CA -1.609 54.186 55.803 -0.014 0.000 0.797 754 Q CB 1.555 30.276 28.738 -0.028 0.000 1.228 754 Q HN -0.089 nan 8.270 nan 0.000 0.466 755 P HA -0.230 nan 4.420 nan 0.000 0.218 755 P C 0.565 177.903 177.300 0.062 0.000 1.146 755 P CA 1.437 64.567 63.100 0.050 0.000 0.813 755 P CB 0.227 31.957 31.700 0.050 0.000 0.778 756 D N -1.261 119.159 120.400 0.033 0.000 2.368 756 D HA -0.002 4.632 4.640 -0.011 0.000 0.218 756 D C 1.573 177.876 176.300 0.005 0.000 1.112 756 D CA -0.266 53.762 54.000 0.047 0.000 0.834 756 D CB -0.467 40.361 40.800 0.047 0.000 0.953 756 D HN 0.017 nan 8.370 nan 0.000 0.505 757 L N 0.062 121.225 121.223 -0.100 0.000 2.081 757 L HA -0.077 4.257 4.340 -0.011 0.000 0.212 757 L C 1.068 177.730 176.870 -0.346 0.000 1.080 757 L CA 1.691 56.361 54.840 -0.284 0.000 0.754 757 L CB -0.634 41.091 42.059 -0.557 0.000 0.893 757 L HN -0.006 nan 8.230 nan 0.000 0.433 758 F N -0.695 119.313 119.950 0.097 0.000 2.668 758 F HA 0.144 4.664 4.527 -0.011 0.000 0.297 758 F C 1.801 177.656 175.800 0.092 0.000 1.124 758 F CA -0.174 57.874 58.000 0.080 0.000 1.353 758 F CB -0.255 38.781 39.000 0.060 0.000 0.992 758 F HN 0.102 nan 8.300 nan 0.000 0.524 759 K N -0.530 119.993 120.400 0.206 0.000 2.147 759 K HA -0.170 4.144 4.320 -0.011 0.000 0.205 759 K C 0.967 177.676 176.600 0.181 0.000 1.049 759 K CA 1.861 58.252 56.287 0.174 0.000 0.936 759 K CB -0.206 32.371 32.500 0.129 0.000 0.722 759 K HN 0.065 nan 8.250 nan 0.000 0.446 760 D N 1.225 121.745 120.400 0.201 0.000 2.144 760 D HA -0.067 4.567 4.640 -0.011 0.000 0.200 760 D C 2.006 178.424 176.300 0.196 0.000 0.978 760 D CA 1.056 55.185 54.000 0.216 0.000 0.833 760 D CB -0.083 40.881 40.800 0.274 0.000 0.961 760 D HN 0.298 nan 8.370 nan 0.000 0.470 761 I N 0.374 121.057 120.570 0.188 0.000 2.202 761 I HA -0.211 3.952 4.170 -0.011 0.000 0.242 761 I C 2.435 178.613 176.117 0.101 0.000 1.091 761 I CA 0.590 61.968 61.300 0.130 0.000 1.368 761 I CB -0.185 37.882 38.000 0.111 0.000 1.058 761 I HN -0.127 nan 8.210 nan 0.000 0.410 762 V N 0.994 120.985 119.914 0.127 0.000 2.343 762 V HA -0.321 3.793 4.120 -0.011 0.000 0.247 762 V C 2.151 178.274 176.094 0.049 0.000 1.051 762 V CA 2.475 64.836 62.300 0.101 0.000 1.036 762 V CB -1.021 30.882 31.823 0.132 0.000 0.654 762 V HN 0.492 nan 8.190 nan 0.000 0.451 763 N N -0.444 118.315 118.700 0.098 0.000 2.069 763 N HA -0.236 4.497 4.740 -0.011 0.000 0.191 763 N C 1.975 177.476 175.510 -0.015 0.000 1.031 763 N CA 1.815 54.936 53.050 0.118 0.000 0.852 763 N CB -0.174 38.434 38.487 0.203 0.000 1.018 763 N HN 0.366 nan 8.380 nan 0.000 0.423 764 M N 0.147 119.786 119.600 0.064 0.000 2.067 764 M HA -0.132 4.341 4.480 -0.011 0.000 0.260 764 M C 1.575 177.811 176.300 -0.107 0.000 1.069 764 M CA 1.345 56.689 55.300 0.073 0.000 1.117 764 M CB -0.550 32.171 32.600 0.201 0.000 1.334 764 M HN 0.231 nan 8.290 nan 0.000 0.407 765 L N 0.968 122.113 121.223 -0.130 0.000 2.043 765 L HA -0.244 4.089 4.340 -0.011 0.000 0.212 765 L C 2.480 179.063 176.870 -0.478 0.000 1.075 765 L CA 1.771 56.417 54.840 -0.323 0.000 0.752 765 L CB -1.143 40.765 42.059 -0.250 0.000 0.891 765 L HN 0.396 nan 8.230 nan 0.000 0.432 766 M N -2.052 117.311 119.600 -0.395 0.000 2.287 766 M HA -0.061 4.412 4.480 -0.011 0.000 0.266 766 M C 1.840 177.674 176.300 -0.777 0.000 1.079 766 M CA 1.350 56.312 55.300 -0.564 0.000 1.146 766 M CB -0.743 31.416 32.600 -0.736 0.000 1.374 766 M HN 0.348 nan 8.290 nan 0.000 0.435 767 H N -1.882 116.984 119.070 -0.340 0.000 3.017 767 H HA 0.214 4.763 4.556 -0.011 0.000 0.255 767 H C 0.070 175.164 175.328 -0.390 0.000 0.990 767 H CA 0.530 56.328 56.048 -0.416 0.000 1.205 767 H CB 0.297 29.750 29.762 -0.516 0.000 1.460 767 H HN 0.552 nan 8.280 nan 0.000 0.478 768 H N -0.290 118.839 119.070 0.097 0.000 2.825 768 H HA 0.196 4.745 4.556 -0.011 0.000 0.226 768 H C -0.898 174.448 175.328 0.030 0.000 1.414 768 H CA -0.485 55.606 56.048 0.071 0.000 1.198 768 H CB 0.498 30.307 29.762 0.079 0.000 2.013 768 H HN -0.070 nan 8.280 nan 0.000 0.530 769 D N 1.429 121.869 120.400 0.066 0.000 2.393 769 D HA 0.111 4.744 4.640 -0.011 0.000 0.232 769 D C 0.934 177.166 176.300 -0.115 0.000 1.192 769 D CA -0.261 53.740 54.000 0.001 0.000 0.882 769 D CB 0.617 41.393 40.800 -0.039 0.000 1.038 769 D HN 0.395 nan 8.370 nan 0.000 0.499 770 R N 2.236 122.566 120.500 -0.283 0.000 2.235 770 R HA -0.027 4.307 4.340 -0.011 0.000 0.213 770 R C 0.560 176.315 176.300 -0.908 0.000 1.059 770 R CA 0.812 56.524 56.100 -0.647 0.000 0.997 770 R CB 0.165 29.876 30.300 -0.980 0.000 0.884 770 R HN 0.391 nan 8.270 nan 0.000 0.462 771 F N 1.419 121.319 119.950 -0.082 0.000 2.708 771 F HA 0.211 4.731 4.527 -0.011 0.000 0.300 771 F C 0.002 175.667 175.800 -0.227 0.000 1.118 771 F CA -0.834 57.100 58.000 -0.111 0.000 1.307 771 F CB 0.105 39.098 39.000 -0.011 0.000 0.986 771 F HN -0.193 nan 8.300 nan 0.000 0.522 772 K N -0.754 119.417 120.400 -0.381 0.000 4.116 772 K HA -0.207 4.106 4.320 -0.011 0.000 0.277 772 K C 0.766 177.213 176.600 -0.255 0.000 0.835 772 K CA 0.251 56.130 56.287 -0.681 0.000 0.740 772 K CB -1.927 29.965 32.500 -1.014 0.000 1.714 772 K HN 0.296 nan 8.250 nan 0.000 0.433 773 V N 0.637 120.476 119.914 -0.125 0.000 2.295 773 V HA -0.250 3.863 4.120 -0.011 0.000 0.246 773 V C 2.202 178.405 176.094 0.182 0.000 1.049 773 V CA 2.147 64.457 62.300 0.015 0.000 1.024 773 V CB -0.595 31.230 31.823 0.002 0.000 0.648 773 V HN 0.608 nan 8.190 nan 0.000 0.447 774 F N 0.267 120.214 119.950 -0.005 0.000 2.171 774 F HA -0.195 4.326 4.527 -0.011 0.000 0.300 774 F C 2.534 178.139 175.800 -0.325 0.000 1.090 774 F CA 0.659 58.608 58.000 -0.084 0.000 1.293 774 F CB -0.404 38.555 39.000 -0.067 0.000 1.013 774 F HN 0.199 nan 8.300 nan 0.000 0.486 775 A N -0.449 122.202 122.820 -0.282 0.000 2.024 775 A HA -0.214 4.099 4.320 -0.011 0.000 0.220 775 A C 1.433 179.025 177.584 0.013 0.000 1.164 775 A CA 2.023 53.836 52.037 -0.374 0.000 0.643 775 A CB -0.475 18.422 19.000 -0.172 0.000 0.806 775 A HN 0.246 nan 8.150 nan 0.000 0.451 776 D N -3.044 117.419 120.400 0.105 0.000 2.398 776 D HA 0.110 4.743 4.640 -0.011 0.000 0.210 776 D C 1.122 177.594 176.300 0.287 0.000 1.094 776 D CA -0.105 54.030 54.000 0.224 0.000 0.839 776 D CB -0.126 40.815 40.800 0.234 0.000 0.963 776 D HN 0.583 nan 8.370 nan 0.000 0.506 777 Y N 2.048 122.441 120.300 0.155 0.000 2.070 777 Y HA -0.226 4.318 4.550 -0.011 0.000 0.280 777 Y C 2.109 178.099 175.900 0.150 0.000 1.148 777 Y CA 1.887 60.089 58.100 0.170 0.000 1.125 777 Y CB 0.215 38.756 38.460 0.134 0.000 0.975 777 Y HN -0.113 nan 8.280 nan 0.000 0.492 778 E N 0.023 120.297 120.200 0.122 0.000 2.038 778 E HA -0.278 4.065 4.350 -0.011 0.000 0.195 778 E C 2.191 178.759 176.600 -0.054 0.000 1.000 778 E CA 1.715 58.109 56.400 -0.011 0.000 0.803 778 E CB -0.229 29.565 29.700 0.157 0.000 0.750 778 E HN 0.629 nan 8.360 nan 0.000 0.448 779 E N -0.436 119.809 120.200 0.076 0.000 2.204 779 E HA -0.188 4.155 4.350 -0.011 0.000 0.194 779 E C 1.844 178.431 176.600 -0.021 0.000 0.989 779 E CA 0.537 57.000 56.400 0.104 0.000 0.824 779 E CB -0.037 29.817 29.700 0.256 0.000 0.756 779 E HN 0.248 nan 8.360 nan 0.000 0.477 780 Y N 0.659 120.766 120.300 -0.323 0.000 2.184 780 Y HA -0.185 4.358 4.550 -0.011 0.000 0.290 780 Y C 2.170 177.661 175.900 -0.682 0.000 1.129 780 Y CA 1.475 59.068 58.100 -0.845 0.000 1.144 780 Y CB -0.500 37.523 38.460 -0.728 0.000 0.995 780 Y HN -0.032 nan 8.280 nan 0.000 0.513 781 V N -0.761 118.756 119.914 -0.662 0.000 2.667 781 V HA -0.108 4.005 4.120 -0.011 0.000 0.252 781 V C 2.140 177.983 176.094 -0.419 0.000 1.065 781 V CA 2.060 63.979 62.300 -0.634 0.000 1.083 781 V CB -0.588 30.955 31.823 -0.467 0.000 0.692 781 V HN 0.194 nan 8.190 nan 0.000 0.468 782 K N 0.016 120.236 120.400 -0.301 0.000 2.057 782 K HA -0.068 4.245 4.320 -0.011 0.000 0.206 782 K C 2.254 178.754 176.600 -0.166 0.000 1.050 782 K CA 1.911 58.096 56.287 -0.169 0.000 0.935 782 K CB -1.182 31.268 32.500 -0.083 0.000 0.715 782 K HN 0.664 nan 8.250 nan 0.000 0.439 783 C N 0.765 119.936 119.300 -0.215 0.000 2.440 783 C HA -0.046 4.407 4.460 -0.011 0.000 0.278 783 C C 2.365 177.180 174.990 -0.291 0.000 1.295 783 C CA 0.607 59.534 59.018 -0.151 0.000 1.738 783 C CB -0.653 27.023 27.740 -0.108 0.000 1.987 783 C HN 0.448 nan 8.230 nan 0.000 0.492 784 Q N 0.427 119.910 119.800 -0.529 0.000 2.224 784 Q HA -0.160 4.173 4.340 -0.011 0.000 0.203 784 Q C 1.973 177.777 176.000 -0.326 0.000 0.970 784 Q CA 1.475 56.926 55.803 -0.586 0.000 0.865 784 Q CB -0.335 27.813 28.738 -0.983 0.000 0.922 784 Q HN 0.757 nan 8.270 nan 0.000 0.445 785 E N 0.236 120.298 120.200 -0.230 0.000 2.106 785 E HA -0.128 4.215 4.350 -0.011 0.000 0.192 785 E C 2.050 178.613 176.600 -0.062 0.000 0.984 785 E CA 0.596 56.925 56.400 -0.117 0.000 0.806 785 E CB 0.113 29.762 29.700 -0.086 0.000 0.750 785 E HN 0.251 nan 8.360 nan 0.000 0.458 786 R N 0.308 120.784 120.500 -0.040 0.000 2.115 786 R HA -0.107 4.226 4.340 -0.011 0.000 0.230 786 R C 2.653 179.015 176.300 0.102 0.000 1.111 786 R CA 1.425 57.576 56.100 0.086 0.000 0.976 786 R CB -0.591 29.828 30.300 0.198 0.000 0.870 786 R HN 0.225 nan 8.270 nan 0.000 0.445 787 V N -1.295 118.491 119.914 -0.214 0.000 2.548 787 V HA -0.108 4.006 4.120 -0.011 0.000 0.249 787 V C 1.936 178.066 176.094 0.060 0.000 1.055 787 V CA 1.843 63.933 62.300 -0.350 0.000 1.065 787 V CB -0.075 31.257 31.823 -0.819 0.000 0.681 787 V HN 0.076 nan 8.190 nan 0.000 0.462 788 S N 0.880 116.555 115.700 -0.042 0.000 2.383 788 S HA 0.055 4.519 4.470 -0.011 0.000 0.227 788 S C 2.254 176.908 174.600 0.091 0.000 1.026 788 S CA 1.483 59.674 58.200 -0.016 0.000 0.981 788 S CB -0.517 62.643 63.200 -0.066 0.000 0.818 788 S HN 0.945 nan 8.310 nan 0.000 0.472 789 A N 1.349 124.235 122.820 0.110 0.000 1.902 789 A HA 0.029 4.342 4.320 -0.011 0.000 0.217 789 A C 2.073 179.773 177.584 0.193 0.000 1.181 789 A CA 1.001 53.120 52.037 0.136 0.000 0.623 789 A CB -0.664 18.409 19.000 0.121 0.000 0.818 789 A HN 0.458 nan 8.150 nan 0.000 0.443 790 L N -2.001 119.406 121.223 0.306 0.000 2.109 790 L HA -0.132 4.201 4.340 -0.011 0.000 0.207 790 L C 2.436 179.574 176.870 0.446 0.000 1.086 790 L CA 1.657 56.754 54.840 0.429 0.000 0.760 790 L CB -0.421 42.022 42.059 0.639 0.000 0.910 790 L HN 0.596 nan 8.230 nan 0.000 0.437 791 Y N 0.919 121.301 120.300 0.137 0.000 2.333 791 Y HA -0.264 4.280 4.550 -0.010 0.000 0.290 791 Y C 2.404 178.192 175.900 -0.186 0.000 1.144 791 Y CA 1.573 59.430 58.100 -0.405 0.000 1.228 791 Y CB -0.024 37.988 38.460 -0.747 0.000 0.985 791 Y HN 0.044 nan 8.280 nan 0.000 0.542 792 K N 0.028 120.446 120.400 0.030 0.000 2.442 792 K HA -0.104 4.209 4.320 -0.011 0.000 0.198 792 K C 0.263 176.843 176.600 -0.034 0.000 1.042 792 K CA 0.555 56.853 56.287 0.019 0.000 0.958 792 K CB -0.058 32.501 32.500 0.097 0.000 0.766 792 K HN 0.046 nan 8.250 nan 0.000 0.474 793 N N 0.297 118.988 118.700 -0.014 0.000 2.904 793 N HA 0.142 4.876 4.740 -0.011 0.000 0.257 793 N C -2.452 173.054 175.510 -0.006 0.000 1.363 793 N CA -2.210 50.843 53.050 0.005 0.000 0.856 793 N CB 1.071 39.598 38.487 0.067 0.000 1.166 793 N HN -0.188 nan 8.380 nan 0.000 0.499 794 P HA -0.243 nan 4.420 nan 0.000 0.219 794 P C 1.428 178.734 177.300 0.010 0.000 1.161 794 P CA 1.408 64.429 63.100 -0.132 0.000 0.909 794 P CB 0.333 31.938 31.700 -0.159 0.000 0.793 795 R N -0.372 120.135 120.500 0.011 0.000 2.091 795 R HA -0.178 4.155 4.340 -0.011 0.000 0.238 795 R C 2.013 178.354 176.300 0.068 0.000 1.136 795 R CA 1.492 57.612 56.100 0.035 0.000 0.959 795 R CB -0.328 29.984 30.300 0.021 0.000 0.856 795 R HN 0.138 nan 8.270 nan 0.000 0.437 796 E N -0.396 119.857 120.200 0.088 0.000 2.158 796 E HA -0.193 4.150 4.350 -0.011 0.000 0.191 796 E C 1.547 178.230 176.600 0.139 0.000 0.982 796 E CA 0.519 56.976 56.400 0.096 0.000 0.823 796 E CB -0.365 29.390 29.700 0.092 0.000 0.766 796 E HN 0.508 nan 8.360 nan 0.000 0.468 797 W N 2.103 123.398 121.300 -0.009 0.000 2.355 797 W HA -0.157 4.495 4.660 -0.012 0.000 0.309 797 W C 1.538 178.059 176.519 0.005 0.000 1.206 797 W CA 1.971 59.325 57.345 0.014 0.000 1.284 797 W CB -0.321 29.117 29.460 -0.037 0.000 1.145 797 W HN 0.022 nan 8.180 nan 0.000 0.502 798 T N 1.213 115.910 114.554 0.238 0.000 2.833 798 T HA -0.169 4.174 4.350 -0.011 0.000 0.269 798 T C 1.822 176.540 174.700 0.030 0.000 1.054 798 T CA 1.598 63.767 62.100 0.115 0.000 1.135 798 T CB -0.261 68.653 68.868 0.076 0.000 0.869 798 T HN 0.185 nan 8.240 nan 0.000 0.466 799 R N 0.367 120.889 120.500 0.036 0.000 2.092 799 R HA 0.144 4.478 4.340 -0.011 0.000 0.231 799 R C 2.475 178.769 176.300 -0.010 0.000 1.119 799 R CA 1.037 57.154 56.100 0.028 0.000 0.970 799 R CB -0.314 30.007 30.300 0.036 0.000 0.864 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.508 120.068 119.600 -0.066 0.000 2.200 800 M HA -0.117 4.356 4.480 -0.011 0.000 0.265 800 M C 1.919 178.134 176.300 -0.142 0.000 1.066 800 M CA 1.278 56.501 55.300 -0.130 0.000 1.127 800 M CB 0.212 32.673 32.600 -0.232 0.000 1.379 800 M HN -0.037 nan 8.290 nan 0.000 0.420 801 V N 0.815 120.631 119.914 -0.164 0.000 2.343 801 V HA -0.303 3.810 4.120 -0.011 0.000 0.247 801 V C 2.183 178.259 176.094 -0.031 0.000 1.051 801 V CA 1.902 64.131 62.300 -0.119 0.000 1.036 801 V CB -0.576 31.203 31.823 -0.073 0.000 0.654 801 V HN 0.506 nan 8.190 nan 0.000 0.451 802 I N -0.655 119.917 120.570 0.004 0.000 2.361 802 I HA -0.246 3.917 4.170 -0.011 0.000 0.251 802 I C 2.661 178.822 176.117 0.074 0.000 1.133 802 I CA 1.349 62.692 61.300 0.073 0.000 1.413 802 I CB -0.285 37.799 38.000 0.140 0.000 1.073 802 I HN 0.175 nan 8.210 nan 0.000 0.424 803 R N 0.844 121.367 120.500 0.038 0.000 2.115 803 R HA -0.071 4.262 4.340 -0.011 0.000 0.230 803 R C 2.005 178.337 176.300 0.053 0.000 1.111 803 R CA 1.187 57.309 56.100 0.038 0.000 0.976 803 R CB -0.232 30.073 30.300 0.009 0.000 0.870 803 R HN 0.437 nan 8.270 nan 0.000 0.445 804 N N -0.344 118.381 118.700 0.041 0.000 2.148 804 N HA -0.063 4.670 4.740 -0.011 0.000 0.186 804 N C 1.757 177.325 175.510 0.096 0.000 1.031 804 N CA 1.305 54.401 53.050 0.077 0.000 0.848 804 N CB 0.014 38.518 38.487 0.029 0.000 1.005 804 N HN 0.140 nan 8.380 nan 0.000 0.427 805 I N 1.720 122.334 120.570 0.074 0.000 2.163 805 I HA -0.236 3.928 4.170 -0.011 0.000 0.243 805 I C 2.356 178.525 176.117 0.086 0.000 1.085 805 I CA 0.964 62.313 61.300 0.081 0.000 1.347 805 I CB -0.302 37.737 38.000 0.065 0.000 1.044 805 I HN 0.087 nan 8.210 nan 0.000 0.408 806 A N -1.138 121.733 122.820 0.085 0.000 2.172 806 A HA -0.159 4.154 4.320 -0.011 0.000 0.216 806 A C 2.138 179.763 177.584 0.069 0.000 1.154 806 A CA 1.931 54.011 52.037 0.072 0.000 0.701 806 A CB -0.539 18.509 19.000 0.081 0.000 0.789 806 A HN 0.392 nan 8.150 nan 0.000 0.465 807 T N -1.116 113.493 114.554 0.092 0.000 3.132 807 T HA 0.138 4.481 4.350 -0.011 0.000 0.274 807 T C 1.449 176.246 174.700 0.160 0.000 1.011 807 T CA 0.685 62.845 62.100 0.100 0.000 0.899 807 T CB -0.392 68.533 68.868 0.095 0.000 1.089 807 T HN 0.592 nan 8.240 nan 0.000 0.543 808 S N -0.907 114.905 115.700 0.187 0.000 2.558 808 S HA 0.187 4.650 4.470 -0.011 0.000 0.217 808 S C 2.303 177.045 174.600 0.237 0.000 0.975 808 S CA 0.555 58.941 58.200 0.311 0.000 0.912 808 S CB -0.301 63.052 63.200 0.256 0.000 0.776 808 S HN 0.424 nan 8.310 nan 0.000 0.526 809 G N 2.686 111.551 108.800 0.108 0.000 2.507 809 G HA2 -0.303 3.650 3.960 -0.011 0.000 0.221 809 G HA3 -0.303 3.650 3.960 -0.011 0.000 0.221 809 G C 1.346 176.219 174.900 -0.045 0.000 1.119 809 G CA 1.068 46.200 45.100 0.052 0.000 0.751 809 G HN 0.581 nan 8.290 nan 0.000 0.574 810 K N -0.058 120.209 120.400 -0.222 0.000 2.280 810 K HA -0.000 4.313 4.320 -0.011 0.000 0.202 810 K C 1.036 177.314 176.600 -0.537 0.000 1.047 810 K CA 0.483 56.496 56.287 -0.457 0.000 0.942 810 K CB -0.236 31.822 32.500 -0.736 0.000 0.739 810 K HN 0.421 nan 8.250 nan 0.000 0.457 811 F N 1.089 121.073 119.950 0.056 0.000 2.663 811 F HA 0.113 4.633 4.527 -0.012 0.000 0.299 811 F C 0.858 176.708 175.800 0.084 0.000 1.143 811 F CA -0.563 57.477 58.000 0.067 0.000 1.387 811 F CB 0.399 39.435 39.000 0.059 0.000 1.019 811 F HN -0.120 nan 8.300 nan 0.000 0.523 812 S N 0.091 115.880 115.700 0.149 0.000 2.565 812 S HA 0.104 4.567 4.470 -0.011 0.000 0.274 812 S C 1.379 176.069 174.600 0.150 0.000 1.309 812 S CA -0.288 57.998 58.200 0.143 0.000 1.043 812 S CB 1.014 64.268 63.200 0.090 0.000 0.939 812 S HN 0.298 nan 8.310 nan 0.000 0.504 813 S N 2.861 118.672 115.700 0.186 0.000 2.547 813 S HA -0.045 4.418 4.470 -0.011 0.000 0.235 813 S C 0.823 175.488 174.600 0.109 0.000 0.980 813 S CA 0.519 58.855 58.200 0.227 0.000 0.941 813 S CB -0.320 63.081 63.200 0.335 0.000 0.763 813 S HN 0.782 nan 8.310 nan 0.000 0.532 814 D N 1.655 122.100 120.400 0.074 0.000 2.183 814 D HA -0.022 4.611 4.640 -0.011 0.000 0.203 814 D C 2.062 178.373 176.300 0.018 0.000 0.969 814 D CA 0.572 54.592 54.000 0.033 0.000 0.842 814 D CB -0.217 40.598 40.800 0.026 0.000 0.957 814 D HN 0.295 nan 8.370 nan 0.000 0.484 815 R N 0.688 121.204 120.500 0.025 0.000 2.075 815 R HA -0.041 4.292 4.340 -0.011 0.000 0.226 815 R C 1.745 178.050 176.300 0.007 0.000 1.114 815 R CA 1.101 57.202 56.100 0.002 0.000 0.972 815 R CB -0.520 29.768 30.300 -0.020 0.000 0.869 815 R HN 0.075 nan 8.270 nan 0.000 0.437 816 T N 2.286 116.872 114.554 0.053 0.000 2.684 816 T HA -0.111 4.232 4.350 -0.011 0.000 0.267 816 T C 1.932 176.660 174.700 0.046 0.000 1.036 816 T CA 1.288 63.448 62.100 0.100 0.000 1.148 816 T CB -0.114 68.903 68.868 0.249 0.000 0.863 816 T HN 0.077 nan 8.240 nan 0.000 0.436 817 I N 1.851 122.357 120.570 -0.106 0.000 2.226 817 I HA -0.100 4.063 4.170 -0.011 0.000 0.245 817 I C 2.946 179.029 176.117 -0.057 0.000 1.100 817 I CA 1.007 62.199 61.300 -0.181 0.000 1.374 817 I CB -1.698 36.203 38.000 -0.164 0.000 1.057 817 I HN 0.199 nan 8.210 nan 0.000 0.413 818 A N -0.045 122.759 122.820 -0.027 0.000 1.978 818 A HA -0.245 4.069 4.320 -0.011 0.000 0.220 818 A C 2.268 179.821 177.584 -0.051 0.000 1.170 818 A CA 1.520 53.548 52.037 -0.016 0.000 0.636 818 A CB -0.583 18.411 19.000 -0.010 0.000 0.810 818 A HN 0.521 nan 8.150 nan 0.000 0.448 819 Q N -2.073 117.681 119.800 -0.076 0.000 2.123 819 Q HA -0.136 4.198 4.340 -0.011 0.000 0.199 819 Q C 1.880 177.728 176.000 -0.253 0.000 0.966 819 Q CA 1.465 57.183 55.803 -0.141 0.000 0.845 819 Q CB -0.221 28.425 28.738 -0.153 0.000 0.907 819 Q HN 0.837 nan 8.270 nan 0.000 0.439 820 Y N 0.352 120.374 120.300 -0.462 0.000 2.145 820 Y HA -0.266 4.277 4.550 -0.012 0.000 0.286 820 Y C 2.429 177.789 175.900 -0.899 0.000 1.145 820 Y CA 1.232 58.812 58.100 -0.867 0.000 1.148 820 Y CB -0.386 37.249 38.460 -1.375 0.000 0.981 820 Y HN 0.153 nan 8.280 nan 0.000 0.507 821 A N 0.495 123.112 122.820 -0.340 0.000 1.873 821 A HA -0.262 4.051 4.320 -0.011 0.000 0.218 821 A C 2.246 179.845 177.584 0.025 0.000 1.193 821 A CA 2.287 54.365 52.037 0.068 0.000 0.629 821 A CB -0.645 18.458 19.000 0.171 0.000 0.826 821 A HN 0.440 nan 8.150 nan 0.000 0.447 822 R N -0.663 119.814 120.500 -0.038 0.000 2.062 822 R HA -0.052 4.281 4.340 -0.011 0.000 0.229 822 R C 1.900 178.172 176.300 -0.047 0.000 1.128 822 R CA 1.516 57.601 56.100 -0.024 0.000 0.960 822 R CB -0.272 30.010 30.300 -0.030 0.000 0.855 822 R HN 0.669 nan 8.270 nan 0.000 0.432 823 E N -0.279 119.853 120.200 -0.114 0.000 2.447 823 E HA 0.073 4.416 4.350 -0.011 0.000 0.195 823 E C 1.429 177.966 176.600 -0.106 0.000 1.028 823 E CA 0.499 56.834 56.400 -0.109 0.000 0.876 823 E CB 0.465 30.077 29.700 -0.147 0.000 0.885 823 E HN 0.355 nan 8.360 nan 0.000 0.500 824 I N -1.476 118.993 120.570 -0.168 0.000 3.878 824 I HA 0.034 4.198 4.170 -0.011 0.000 0.273 824 I C 1.354 177.568 176.117 0.161 0.000 1.165 824 I CA -0.098 61.147 61.300 -0.091 0.000 1.360 824 I CB 0.107 37.901 38.000 -0.343 0.000 1.539 824 I HN 0.107 nan 8.210 nan 0.000 0.447 825 W N 1.776 123.159 121.300 0.138 0.000 2.576 825 W HA 0.283 4.936 4.660 -0.011 0.000 0.270 825 W C 1.572 178.121 176.519 0.050 0.000 1.255 825 W CA 1.068 58.475 57.345 0.104 0.000 1.314 825 W CB -1.003 28.503 29.460 0.077 0.000 1.101 825 W HN 0.346 nan 8.180 nan 0.000 0.595 826 G N 0.802 109.734 108.800 0.220 0.000 2.212 826 G HA2 -0.107 3.846 3.960 -0.011 0.000 0.255 826 G HA3 -0.107 3.846 3.960 -0.011 0.000 0.255 826 G C -0.327 174.639 174.900 0.109 0.000 1.062 826 G CA 0.136 45.308 45.100 0.121 0.000 0.815 826 G HN 0.379 nan 8.290 nan 0.000 0.497 827 V N -4.245 115.754 119.914 0.141 0.000 2.914 827 V HA 0.932 5.045 4.120 -0.011 0.000 0.314 827 V C -0.394 175.752 176.094 0.086 0.000 1.084 827 V CA -1.679 60.684 62.300 0.104 0.000 0.963 827 V CB 2.344 34.237 31.823 0.117 0.000 1.025 827 V HN 0.110 nan 8.190 nan 0.000 0.432 828 E N 3.405 123.639 120.200 0.057 0.000 2.134 828 E HA 0.530 4.873 4.350 -0.011 0.000 0.278 828 E C -2.537 174.092 176.600 0.048 0.000 0.959 828 E CA -1.840 54.588 56.400 0.046 0.000 0.783 828 E CB 1.828 31.548 29.700 0.033 0.000 1.095 828 E HN 0.740 nan 8.360 nan 0.000 0.399 829 P HA 0.073 nan 4.420 nan 0.000 0.269 829 P C -0.529 176.794 177.300 0.038 0.000 1.215 829 P CA -0.249 62.878 63.100 0.046 0.000 0.780 829 P CB 0.796 32.520 31.700 0.041 0.000 0.898 830 S N 1.207 116.931 115.700 0.040 0.000 2.614 830 S HA 0.335 4.798 4.470 -0.011 0.000 0.275 830 S C 0.034 174.656 174.600 0.036 0.000 1.161 830 S CA -0.887 57.336 58.200 0.038 0.000 0.969 830 S CB 1.181 64.408 63.200 0.045 0.000 1.059 830 S HN 0.291 nan 8.310 nan 0.000 0.482 831 R N 2.687 123.205 120.500 0.031 0.000 2.721 831 R HA 0.207 4.540 4.340 -0.011 0.000 0.296 831 R C -0.162 176.151 176.300 0.021 0.000 1.174 831 R CA -0.075 56.043 56.100 0.030 0.000 1.129 831 R CB 0.114 30.433 30.300 0.031 0.000 1.316 831 R HN 0.667 nan 8.270 nan 0.000 0.571 832 Q N 0.960 120.772 119.800 0.019 0.000 2.279 832 Q HA 0.187 4.520 4.340 -0.011 0.000 0.256 832 Q C -0.365 175.630 176.000 -0.009 0.000 0.937 832 Q CA -0.384 55.424 55.803 0.009 0.000 0.933 832 Q CB 1.315 30.064 28.738 0.017 0.000 1.189 832 Q HN -0.104 nan 8.270 nan 0.000 0.417 833 R N 1.772 122.260 120.500 -0.020 0.000 2.484 833 R HA 0.053 4.386 4.340 -0.011 0.000 0.293 833 R C -0.552 175.714 176.300 -0.057 0.000 1.023 833 R CA -0.157 55.919 56.100 -0.040 0.000 1.037 833 R CB 0.126 30.401 30.300 -0.040 0.000 0.951 833 R HN 0.412 nan 8.270 nan 0.000 0.418 834 L N 6.604 127.777 121.223 -0.082 0.000 2.439 834 L HA 0.211 4.544 4.340 -0.011 0.000 0.269 834 L C -1.670 175.141 176.870 -0.098 0.000 1.179 834 L CA -1.864 52.895 54.840 -0.136 0.000 0.828 834 L CB 0.521 42.475 42.059 -0.174 0.000 1.106 834 L HN 0.615 nan 8.230 nan 0.000 0.467 835 P HA 0.034 nan 4.420 nan 0.000 0.229 835 P C -0.018 177.258 177.300 -0.040 0.000 1.485 835 P CA 0.616 63.684 63.100 -0.053 0.000 1.217 835 P CB -0.650 31.027 31.700 -0.038 0.000 1.852 836 A N 3.517 126.314 122.820 -0.037 0.000 6.759 836 A HA -0.156 4.157 4.320 -0.011 0.000 0.308 836 A C -2.229 175.344 177.584 -0.019 0.000 2.086 836 A CA -0.064 51.958 52.037 -0.025 0.000 1.123 836 A CB -2.362 16.630 19.000 -0.014 0.000 1.078 836 A HN 0.402 nan 8.150 nan 0.000 0.457 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.009 0.000 0.800 837 P CB 0.000 31.716 31.700 0.027 0.000 0.726