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 3htx_1_D DATA FIRST_RESID 7 DATA SEQUENCE HTPTPKAIIH QKFGAKASYT VEEVHDSSQS GCPGLAIPQK GPCLYRCHLQ DATA SEQUENCE LPEFSVVSNV FKKKKDSEQS AAELALDKLG IRPQNDDLTV DEARDEIVGR DATA SEQUENCE IKYIFSDEFL SAEHPLGAHL RAALRRDGER CGSVPVSVIA TVDAKINSRC DATA SEQUENCE KIINPSVESD PFLAISYVMK AAAKLADYIV ASPHGLRRKN AYPSEIVEAL DATA SEQUENCE ATHVSDSLHS REVAAVYIPC IDEEVVELDT LYISSNRHYL DSIAERLGLK DATA SEQUENCE DGNQVMISRM FGKASCGSEC RLYSEIPKKY LDNSSXXXXX XXXXXXXIVK DATA SEQUENCE SRNARASYIC GQDIHGDAIL ASVGYRWKSD DLDYDDVTVN SFYRICCGMS DATA SEQUENCE PNGIYKISRQ AVIAAQLPFA FTTKSNWRGP LPREILGLFC HQHRLAEPIL DATA SEQUENCE SSSXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXRCEV DATA SEQUENCE KIFTKSQDLV LECSPRKFYE KENDAIQNAS LKALLWFSKF FADLXXXXXX DATA SEQUENCE XXXXXXXXXX XXXSPNVFAA PPXXXXXXSS ESKXXXXXXX EKRVQSITNG DATA SEQUENCE SVVSICYSLS LAVDPEYXXX XXXXXXXXXX XXXXXXXXXX XXESSVEPIE DATA SEQUENCE SNEEIEFEVG TGSMNPHIES EVTQMTVGEY ASFKMTPPDA AEALILAVGS DATA SEQUENCE DTVRIRSLLS ERPCLNYNIL LLGVKGPSEE RMEAAFFKPP LSKQRVEYAL DATA SEQUENCE KHIRESSAST LVDFGCGSGS LLDSLLDYPT SLQTIIGVDI SPKGLARAAK DATA SEQUENCE MLHVKLNKEA CNVKSATLYD GSILEFDSRL HDVDIGTCLE VIEHMEEDQA DATA SEQUENCE CEFGEKVLSL FHPKLLIVST PNYEFNTILQ RSTXXXXXXX XXXXXLPKFR DATA SEQUENCE NHDHKFEWTR EQFNQWASKL GKRHNYSVEF SGVGGSGEVE PGFASQIAIF DATA SEQUENCE RREXXXXXXX XESSMQPYKV IWEWKKE 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 7 H HA 0.000 nan 4.556 nan 0.000 0.296 7 H C 0.000 175.334 175.328 0.011 0.000 0.993 7 H CA 0.000 56.055 56.048 0.012 0.000 1.023 7 H CB 0.000 29.766 29.762 0.007 0.000 1.292 8 T N 4.493 119.151 114.554 0.172 0.000 2.793 8 T HA 0.061 4.412 4.350 0.002 0.000 0.289 8 T C -1.347 173.392 174.700 0.066 0.000 0.956 8 T CA -0.541 61.609 62.100 0.083 0.000 1.177 8 T CB 0.463 69.359 68.868 0.048 0.000 0.897 8 T HN 0.284 nan 8.240 nan 0.000 0.533 9 P HA -0.104 nan 4.420 nan 0.000 0.217 9 P C 0.570 177.894 177.300 0.041 0.000 1.162 9 P CA 1.278 64.404 63.100 0.042 0.000 0.901 9 P CB 0.074 31.796 31.700 0.036 0.000 0.793 10 T N -5.502 109.074 114.554 0.036 0.000 2.933 10 T HA 0.528 4.879 4.350 0.002 0.000 0.305 10 T C -3.077 171.638 174.700 0.024 0.000 1.092 10 T CA -2.099 60.021 62.100 0.033 0.000 1.008 10 T CB 2.416 71.308 68.868 0.039 0.000 1.102 10 T HN -0.169 nan 8.240 nan 0.000 0.469 11 P HA 0.331 nan 4.420 nan 0.000 0.279 11 P C 0.629 177.947 177.300 0.031 0.000 1.252 11 P CA -0.652 62.454 63.100 0.009 0.000 0.811 11 P CB 1.109 32.802 31.700 -0.012 0.000 1.035 12 K N 1.303 121.726 120.400 0.039 0.000 2.242 12 K HA -0.183 4.138 4.320 0.002 0.000 0.206 12 K C 1.792 178.518 176.600 0.210 0.000 1.045 12 K CA 1.926 58.277 56.287 0.107 0.000 0.930 12 K CB -1.305 31.266 32.500 0.118 0.000 0.726 12 K HN 0.564 nan 8.250 nan 0.000 0.462 13 A N 0.769 123.665 122.820 0.127 0.000 2.119 13 A HA -0.001 4.320 4.320 0.002 0.000 0.217 13 A C 2.092 179.781 177.584 0.175 0.000 1.153 13 A CA 0.659 52.793 52.037 0.162 0.000 0.692 13 A CB -0.319 18.666 19.000 -0.024 0.000 0.799 13 A HN 0.208 nan 8.150 nan 0.000 0.458 14 I N -1.051 119.588 120.570 0.116 0.000 2.556 14 I HA -0.054 4.117 4.170 0.002 0.000 0.251 14 I C 2.083 178.275 176.117 0.126 0.000 1.105 14 I CA 0.484 61.846 61.300 0.103 0.000 1.436 14 I CB -0.301 37.737 38.000 0.064 0.000 1.139 14 I HN 0.191 nan 8.210 nan 0.000 0.438 15 I N 0.965 121.590 120.570 0.092 0.000 2.145 15 I HA -0.375 3.796 4.170 0.002 0.000 0.244 15 I C 2.539 178.702 176.117 0.077 0.000 1.075 15 I CA 1.603 62.936 61.300 0.054 0.000 1.332 15 I CB -0.695 37.230 38.000 -0.124 0.000 1.033 15 I HN 0.347 nan 8.210 nan 0.000 0.410 16 H N 0.023 119.147 119.070 0.090 0.000 2.543 16 H HA -0.174 4.383 4.556 0.001 0.000 0.286 16 H C 2.119 177.520 175.328 0.123 0.000 1.037 16 H CA 1.265 57.364 56.048 0.084 0.000 1.250 16 H CB 0.025 29.812 29.762 0.042 0.000 1.373 16 H HN 0.520 nan 8.280 nan 0.000 0.580 17 Q N 1.061 120.993 119.800 0.220 0.000 2.269 17 Q HA -0.093 4.248 4.340 0.002 0.000 0.201 17 Q C 2.078 178.145 176.000 0.112 0.000 0.946 17 Q CA 1.058 56.951 55.803 0.150 0.000 0.877 17 Q CB 0.294 29.103 28.738 0.119 0.000 0.963 17 Q HN 0.033 nan 8.270 nan 0.000 0.472 18 K N -0.964 119.519 120.400 0.138 0.000 2.400 18 K HA 0.067 4.388 4.320 0.002 0.000 0.194 18 K C 0.602 177.159 176.600 -0.072 0.000 1.033 18 K CA 0.734 57.039 56.287 0.030 0.000 1.021 18 K CB 0.064 32.567 32.500 0.005 0.000 0.808 18 K HN 0.195 nan 8.250 nan 0.000 0.505 19 F N -0.349 119.588 119.950 -0.021 0.000 2.389 19 F HA 0.348 4.875 4.527 0.001 0.000 0.275 19 F C 1.415 177.208 175.800 -0.012 0.000 1.009 19 F CA 0.632 58.615 58.000 -0.029 0.000 1.187 19 F CB -0.476 38.480 39.000 -0.073 0.000 1.139 19 F HN -0.014 nan 8.300 nan 0.000 0.613 20 G N -0.177 108.760 108.800 0.229 0.000 2.457 20 G HA2 0.431 4.391 3.960 0.002 0.000 0.316 20 G HA3 0.431 4.391 3.960 0.002 0.000 0.316 20 G C 0.759 175.700 174.900 0.067 0.000 1.030 20 G CA 0.253 45.417 45.100 0.105 0.000 1.073 20 G HN 0.445 nan 8.290 nan 0.000 0.430 21 A N 3.191 126.031 122.820 0.032 0.000 1.908 21 A HA 0.057 4.378 4.320 0.002 0.000 0.218 21 A C 1.340 178.929 177.584 0.008 0.000 1.181 21 A CA 1.138 53.184 52.037 0.016 0.000 0.627 21 A CB 0.042 19.040 19.000 -0.003 0.000 0.818 21 A HN 0.507 nan 8.150 nan 0.000 0.445 22 K N -1.018 119.378 120.400 -0.007 0.000 2.716 22 K HA 0.591 4.912 4.320 0.002 0.000 0.249 22 K C -1.408 175.163 176.600 -0.048 0.000 1.004 22 K CA 0.103 56.377 56.287 -0.020 0.000 0.968 22 K CB 1.885 34.377 32.500 -0.015 0.000 1.214 22 K HN 0.335 nan 8.250 nan 0.000 0.476 23 A N 1.300 124.066 122.820 -0.090 0.000 2.515 23 A HA 0.693 5.014 4.320 0.002 0.000 0.298 23 A C -0.742 176.720 177.584 -0.204 0.000 1.059 23 A CA -0.759 51.187 52.037 -0.152 0.000 0.698 23 A CB 1.474 20.350 19.000 -0.206 0.000 1.289 23 A HN 0.545 nan 8.150 nan 0.000 0.404 24 S N 0.557 116.155 115.700 -0.170 0.000 2.509 24 S HA 0.754 5.224 4.470 0.002 0.000 0.297 24 S C -1.044 173.474 174.600 -0.137 0.000 1.118 24 S CA -0.443 57.690 58.200 -0.111 0.000 1.074 24 S CB 0.625 63.810 63.200 -0.024 0.000 1.038 24 S HN 0.483 nan 8.310 nan 0.000 0.498 25 Y N 0.887 121.165 120.300 -0.036 0.000 2.326 25 Y HA 0.426 4.978 4.550 0.002 0.000 0.337 25 Y C 0.679 176.576 175.900 -0.005 0.000 1.023 25 Y CA -0.576 57.505 58.100 -0.031 0.000 1.143 25 Y CB 1.465 39.896 38.460 -0.049 0.000 1.183 25 Y HN 0.619 nan 8.280 nan 0.000 0.485 26 T N 3.875 118.533 114.554 0.174 0.000 2.756 26 T HA 0.370 4.721 4.350 0.002 0.000 0.290 26 T C -0.430 174.361 174.700 0.152 0.000 0.985 26 T CA -0.746 61.429 62.100 0.125 0.000 0.955 26 T CB 0.537 69.451 68.868 0.076 0.000 0.930 26 T HN 0.315 nan 8.240 nan 0.000 0.451 27 V N 4.089 124.064 119.914 0.102 0.000 2.389 27 V HA 0.290 4.411 4.120 0.002 0.000 0.264 27 V C 0.592 176.767 176.094 0.135 0.000 1.049 27 V CA -0.639 61.718 62.300 0.095 0.000 0.932 27 V CB 0.353 32.183 31.823 0.013 0.000 1.011 27 V HN 0.855 nan 8.190 nan 0.000 0.475 28 E N 5.033 125.343 120.200 0.185 0.000 2.214 28 E HA 0.482 4.832 4.350 0.002 0.000 0.274 28 E C -0.431 176.256 176.600 0.145 0.000 0.977 28 E CA -0.677 55.825 56.400 0.170 0.000 0.827 28 E CB 1.491 31.343 29.700 0.253 0.000 1.130 28 E HN 0.886 nan 8.360 nan 0.000 0.394 29 E N 1.423 121.653 120.200 0.050 0.000 2.263 29 E HA 0.527 4.878 4.350 0.002 0.000 0.264 29 E C -1.176 175.268 176.600 -0.261 0.000 0.923 29 E CA -1.068 55.266 56.400 -0.111 0.000 0.802 29 E CB 2.049 31.619 29.700 -0.217 0.000 1.228 29 E HN 0.195 nan 8.360 nan 0.000 0.417 30 V N 2.526 122.221 119.914 -0.365 0.000 2.443 30 V HA 0.130 4.251 4.120 0.002 0.000 0.293 30 V C 0.049 175.927 176.094 -0.360 0.000 1.021 30 V CA -0.757 61.373 62.300 -0.282 0.000 0.848 30 V CB 1.158 32.889 31.823 -0.155 0.000 0.998 30 V HN 0.746 nan 8.190 nan 0.000 0.424 31 H N 1.436 120.449 119.070 -0.094 0.000 2.536 31 H HA 0.179 4.736 4.556 0.002 0.000 0.276 31 H C -0.286 174.992 175.328 -0.082 0.000 1.019 31 H CA -0.007 55.984 56.048 -0.095 0.000 1.159 31 H CB 0.329 30.052 29.762 -0.065 0.000 1.373 31 H HN 0.585 nan 8.280 nan 0.000 0.584 32 D N 1.461 121.854 120.400 -0.012 0.000 2.249 32 D HA 0.242 4.883 4.640 0.002 0.000 0.246 32 D C 0.567 176.837 176.300 -0.050 0.000 1.114 32 D CA 0.028 54.014 54.000 -0.024 0.000 0.854 32 D CB 1.959 42.744 40.800 -0.026 0.000 1.132 32 D HN 0.289 nan 8.370 nan 0.000 0.461 33 S N -0.519 115.156 115.700 -0.042 0.000 2.800 33 S HA 0.305 4.776 4.470 0.002 0.000 0.293 33 S C -0.132 174.442 174.600 -0.043 0.000 1.209 33 S CA -0.850 57.321 58.200 -0.048 0.000 0.884 33 S CB 0.690 63.860 63.200 -0.050 0.000 1.244 33 S HN 0.196 nan 8.310 nan 0.000 0.540 34 S N -0.032 115.642 115.700 -0.044 0.000 3.544 34 S HA 0.242 4.713 4.470 0.002 0.000 0.227 34 S C -0.130 174.442 174.600 -0.047 0.000 1.387 34 S CA -0.378 57.797 58.200 -0.043 0.000 1.182 34 S CB -1.016 62.160 63.200 -0.039 0.000 1.243 34 S HN 0.561 nan 8.310 nan 0.000 0.467 35 Q N 2.443 122.213 119.800 -0.050 0.000 2.314 35 Q HA 0.308 4.649 4.340 0.002 0.000 0.259 35 Q C -0.206 175.750 176.000 -0.073 0.000 0.951 35 Q CA -0.471 55.297 55.803 -0.058 0.000 0.909 35 Q CB 1.452 30.159 28.738 -0.052 0.000 1.236 35 Q HN 0.705 nan 8.270 nan 0.000 0.444 36 S N 1.411 117.059 115.700 -0.088 0.000 2.555 36 S HA 0.097 4.568 4.470 0.002 0.000 0.293 36 S C 0.518 175.032 174.600 -0.143 0.000 1.248 36 S CA -0.455 57.675 58.200 -0.116 0.000 1.096 36 S CB 0.373 63.494 63.200 -0.133 0.000 0.881 36 S HN 0.699 nan 8.310 nan 0.000 0.498 37 G N 3.158 111.872 108.800 -0.143 0.000 2.621 37 G HA2 0.346 4.307 3.960 0.002 0.000 0.306 37 G HA3 0.346 4.307 3.960 0.002 0.000 0.306 37 G C -0.057 174.693 174.900 -0.249 0.000 0.893 37 G CA -0.601 44.411 45.100 -0.148 0.000 1.486 37 G HN 0.924 nan 8.290 nan 0.000 0.477 38 C N 5.634 124.771 119.300 -0.272 0.000 2.347 38 C HA 0.596 5.057 4.460 0.002 0.000 0.353 38 C C -1.427 173.453 174.990 -0.183 0.000 1.273 38 C CA -1.685 57.099 59.018 -0.389 0.000 1.861 38 C CB 0.796 28.311 27.740 -0.375 0.000 2.420 38 C HN 0.648 nan 8.230 nan 0.000 0.542 39 P HA 0.347 nan 4.420 nan 0.000 0.279 39 P C 0.592 178.047 177.300 0.259 0.000 1.252 39 P CA 0.658 63.819 63.100 0.102 0.000 0.811 39 P CB 0.795 32.597 31.700 0.170 0.000 1.035 40 G N 0.624 109.546 108.800 0.203 0.000 2.205 40 G HA2 -0.265 3.696 3.960 0.002 0.000 0.269 40 G HA3 -0.265 3.696 3.960 0.002 0.000 0.269 40 G C 0.181 175.244 174.900 0.271 0.000 0.977 40 G CA 0.171 45.405 45.100 0.224 0.000 0.652 40 G HN 0.492 nan 8.290 nan 0.000 0.539 41 L N -0.420 120.937 121.223 0.222 0.000 2.467 41 L HA 0.453 4.794 4.340 0.002 0.000 0.270 41 L C 1.347 178.265 176.870 0.080 0.000 1.205 41 L CA 0.532 55.463 54.840 0.151 0.000 0.828 41 L CB 1.209 43.274 42.059 0.010 0.000 1.101 41 L HN 0.318 nan 8.230 nan 0.000 0.479 42 A N 3.042 125.898 122.820 0.060 0.000 2.630 42 A HA 0.406 4.727 4.320 0.002 0.000 0.287 42 A C 0.754 178.343 177.584 0.008 0.000 1.040 42 A CA -0.261 51.793 52.037 0.029 0.000 0.971 42 A CB 0.154 19.172 19.000 0.030 0.000 1.241 42 A HN 0.698 nan 8.150 nan 0.000 0.558 43 I N -0.074 120.494 120.570 -0.003 0.000 4.240 43 I HA 0.135 4.306 4.170 0.002 0.000 0.331 43 I C -2.066 174.032 176.117 -0.032 0.000 1.381 43 I CA -1.331 59.959 61.300 -0.017 0.000 1.136 43 I CB -0.032 37.955 38.000 -0.022 0.000 1.137 43 I HN 0.035 nan 8.210 nan 0.000 0.411 44 P HA -0.137 nan 4.420 nan 0.000 0.261 44 P C -0.623 176.645 177.300 -0.053 0.000 1.133 44 P CA 1.090 64.159 63.100 -0.053 0.000 0.756 44 P CB 0.195 31.862 31.700 -0.055 0.000 0.726 45 Q N 1.667 121.433 119.800 -0.056 0.000 2.312 45 Q HA 0.288 4.629 4.340 0.002 0.000 0.263 45 Q C 0.002 175.971 176.000 -0.052 0.000 0.995 45 Q CA -0.949 54.825 55.803 -0.049 0.000 0.853 45 Q CB 1.990 30.703 28.738 -0.041 0.000 1.300 45 Q HN 0.267 nan 8.270 nan 0.000 0.448 46 K N 1.707 122.077 120.400 -0.049 0.000 2.315 46 K HA 0.184 4.505 4.320 0.002 0.000 0.291 46 K C 0.226 176.817 176.600 -0.014 0.000 1.074 46 K CA 0.054 56.314 56.287 -0.044 0.000 0.936 46 K CB 0.220 32.693 32.500 -0.044 0.000 1.049 46 K HN 0.824 nan 8.250 nan 0.000 0.471 47 G N 4.593 113.387 108.800 -0.009 0.000 2.726 47 G HA2 0.217 4.178 3.960 0.002 0.000 0.221 47 G HA3 0.217 4.178 3.960 0.002 0.000 0.221 47 G C -1.921 172.987 174.900 0.012 0.000 1.327 47 G CA 0.066 45.164 45.100 -0.003 0.000 0.884 47 G HN 0.661 nan 8.290 nan 0.000 0.581 48 P HA 0.510 nan 4.420 nan 0.000 0.349 48 P C -1.608 175.661 177.300 -0.051 0.000 1.533 48 P CA -0.963 62.133 63.100 -0.008 0.000 1.373 48 P CB 2.085 33.778 31.700 -0.011 0.000 2.166 49 C N 1.022 120.221 119.300 -0.167 0.000 2.455 49 C HA 0.788 5.249 4.460 0.002 0.000 0.320 49 C C 0.020 174.578 174.990 -0.721 0.000 1.226 49 C CA -1.046 57.754 59.018 -0.363 0.000 1.569 49 C CB -0.080 27.398 27.740 -0.436 0.000 2.200 49 C HN 0.502 nan 8.230 nan 0.000 0.491 50 L N 2.449 123.358 121.223 -0.522 0.000 2.418 50 L HA 0.514 4.855 4.340 0.002 0.000 0.265 50 L C -0.411 176.119 176.870 -0.566 0.000 1.143 50 L CA -0.210 54.360 54.840 -0.449 0.000 0.809 50 L CB 0.474 42.425 42.059 -0.179 0.000 1.124 50 L HN 0.705 nan 8.230 nan 0.000 0.456 51 Y N 0.190 120.489 120.300 -0.003 0.000 2.598 51 Y HA 0.714 5.265 4.550 0.001 0.000 0.340 51 Y C -0.141 175.781 175.900 0.036 0.000 1.038 51 Y CA -1.186 56.913 58.100 -0.002 0.000 1.100 51 Y CB 1.446 39.909 38.460 0.005 0.000 1.281 51 Y HN 0.477 nan 8.280 nan 0.000 0.488 52 R N 0.127 120.739 120.500 0.187 0.000 2.771 52 R HA 0.874 5.215 4.340 0.002 0.000 0.274 52 R C -1.919 174.427 176.300 0.078 0.000 0.987 52 R CA -0.633 55.530 56.100 0.105 0.000 0.908 52 R CB 1.652 31.955 30.300 0.005 0.000 1.213 52 R HN 0.802 nan 8.270 nan 0.000 0.468 53 C N 1.801 121.116 119.300 0.024 0.000 2.507 53 C HA 0.564 5.024 4.460 0.002 0.000 0.319 53 C C -0.809 174.138 174.990 -0.072 0.000 1.208 53 C CA -0.415 58.618 59.018 0.025 0.000 1.619 53 C CB 1.213 28.985 27.740 0.053 0.000 2.230 53 C HN 0.894 nan 8.230 nan 0.000 0.492 54 H N 4.560 123.673 119.070 0.072 0.000 2.597 54 H HA 0.399 4.956 4.556 0.001 0.000 0.303 54 H C -0.695 174.651 175.328 0.030 0.000 1.057 54 H CA -0.188 55.887 56.048 0.046 0.000 1.261 54 H CB 1.656 31.438 29.762 0.033 0.000 1.397 54 H HN 0.525 nan 8.280 nan 0.000 0.461 55 L N 4.615 125.876 121.223 0.064 0.000 2.276 55 L HA 0.238 4.579 4.340 0.002 0.000 0.286 55 L C -0.297 176.478 176.870 -0.158 0.000 1.024 55 L CA -0.275 54.512 54.840 -0.089 0.000 0.826 55 L CB 1.084 43.043 42.059 -0.167 0.000 1.211 55 L HN 0.526 nan 8.230 nan 0.000 0.422 56 Q N 5.841 125.533 119.800 -0.180 0.000 2.307 56 Q HA 0.637 4.978 4.340 0.002 0.000 0.262 56 Q C -1.290 174.574 176.000 -0.226 0.000 0.961 56 Q CA -0.545 55.157 55.803 -0.168 0.000 0.882 56 Q CB 2.437 31.121 28.738 -0.090 0.000 1.264 56 Q HN 0.640 nan 8.270 nan 0.000 0.446 57 L N 2.677 123.753 121.223 -0.245 0.000 2.303 57 L HA 0.440 4.781 4.340 0.002 0.000 0.256 57 L C -1.473 175.314 176.870 -0.139 0.000 1.034 57 L CA -1.932 52.780 54.840 -0.214 0.000 0.832 57 L CB 1.808 43.697 42.059 -0.282 0.000 1.403 57 L HN 0.443 nan 8.230 nan 0.000 0.419 58 P HA -0.220 nan 4.420 nan 0.000 0.216 58 P C 0.895 178.201 177.300 0.010 0.000 1.154 58 P CA 1.442 64.527 63.100 -0.024 0.000 0.865 58 P CB 0.444 32.142 31.700 -0.002 0.000 0.789 59 E N -0.363 119.851 120.200 0.023 0.000 2.016 59 E HA -0.028 4.323 4.350 0.002 0.000 0.190 59 E C 1.336 178.097 176.600 0.270 0.000 0.985 59 E CA 1.044 57.539 56.400 0.160 0.000 0.802 59 E CB -0.087 29.780 29.700 0.278 0.000 0.762 59 E HN 0.402 nan 8.360 nan 0.000 0.448 60 F N -2.251 117.704 119.950 0.008 0.000 3.698 60 F HA 0.474 5.002 4.527 0.002 0.000 0.330 60 F C -0.918 174.883 175.800 0.002 0.000 1.176 60 F CA -0.870 57.134 58.000 0.007 0.000 0.899 60 F CB 0.791 39.798 39.000 0.011 0.000 1.645 60 F HN -0.200 nan 8.300 nan 0.000 0.522 61 S N 0.158 115.905 115.700 0.078 0.000 2.588 61 S HA 0.884 5.355 4.470 0.002 0.000 0.275 61 S C -1.633 173.054 174.600 0.144 0.000 1.130 61 S CA -0.614 57.552 58.200 -0.057 0.000 0.855 61 S CB 1.759 64.987 63.200 0.046 0.000 1.116 61 S HN 0.932 nan 8.310 nan 0.000 0.472 62 V N 0.560 120.493 119.914 0.032 0.000 2.962 62 V HA 0.787 4.908 4.120 0.002 0.000 0.313 62 V C -0.937 175.177 176.094 0.033 0.000 1.099 62 V CA -0.779 61.588 62.300 0.111 0.000 0.971 62 V CB 1.907 33.792 31.823 0.103 0.000 1.028 62 V HN 0.895 nan 8.190 nan 0.000 0.430 63 V N 1.756 121.671 119.914 0.002 0.000 2.638 63 V HA 0.645 4.766 4.120 0.002 0.000 0.306 63 V C 0.040 176.095 176.094 -0.066 0.000 1.052 63 V CA -0.450 61.771 62.300 -0.133 0.000 0.885 63 V CB 2.121 33.780 31.823 -0.273 0.000 0.999 63 V HN 1.064 nan 8.190 nan 0.000 0.424 64 S N 3.109 118.780 115.700 -0.048 0.000 2.617 64 S HA 0.540 5.011 4.470 0.002 0.000 0.283 64 S C -0.159 174.448 174.600 0.012 0.000 1.189 64 S CA -0.859 57.363 58.200 0.037 0.000 1.036 64 S CB 1.392 64.678 63.200 0.143 0.000 1.014 64 S HN 0.873 nan 8.310 nan 0.000 0.522 65 N N 0.754 119.448 118.700 -0.010 0.000 2.354 65 N HA 0.132 4.873 4.740 0.002 0.000 0.246 65 N C -0.281 175.118 175.510 -0.186 0.000 1.285 65 N CA -0.661 52.321 53.050 -0.115 0.000 0.925 65 N CB -0.324 38.059 38.487 -0.174 0.000 1.174 65 N HN 0.465 nan 8.380 nan 0.000 0.478 66 V N 0.547 120.328 119.914 -0.222 0.000 2.673 66 V HA 0.112 4.232 4.120 0.002 0.000 0.303 66 V C -0.058 175.789 176.094 -0.412 0.000 1.046 66 V CA 0.451 62.637 62.300 -0.191 0.000 1.126 66 V CB -1.227 30.512 31.823 -0.140 0.000 0.934 66 V HN 0.494 nan 8.190 nan 0.000 0.487 67 F N 2.264 122.230 119.950 0.027 0.000 2.611 67 F HA 0.467 4.995 4.527 0.001 0.000 0.324 67 F C 0.914 176.758 175.800 0.073 0.000 1.061 67 F CA -0.951 57.072 58.000 0.038 0.000 0.954 67 F CB 1.994 41.016 39.000 0.038 0.000 1.301 67 F HN 0.290 nan 8.300 nan 0.000 0.482 68 K N 0.246 120.813 120.400 0.279 0.000 2.361 68 K HA 0.139 4.460 4.320 0.002 0.000 0.196 68 K C -0.504 176.262 176.600 0.278 0.000 1.039 68 K CA 0.652 57.053 56.287 0.190 0.000 1.001 68 K CB 0.270 32.834 32.500 0.108 0.000 0.795 68 K HN 0.475 nan 8.250 nan 0.000 0.495 69 K N 0.544 121.098 120.400 0.257 0.000 2.244 69 K HA 0.153 4.474 4.320 0.002 0.000 0.260 69 K C 0.074 176.673 176.600 -0.002 0.000 0.951 69 K CA -0.551 55.812 56.287 0.126 0.000 0.826 69 K CB 2.103 34.612 32.500 0.016 0.000 1.108 69 K HN -0.189 nan 8.250 nan 0.000 0.433 70 K N 2.692 122.906 120.400 -0.310 0.000 2.032 70 K HA -0.215 4.106 4.320 0.002 0.000 0.209 70 K C 1.621 178.024 176.600 -0.328 0.000 1.048 70 K CA 1.737 57.665 56.287 -0.600 0.000 0.927 70 K CB 0.141 32.179 32.500 -0.770 0.000 0.712 70 K HN 0.484 nan 8.250 nan 0.000 0.441 71 K N 0.295 120.536 120.400 -0.265 0.000 2.097 71 K HA -0.139 4.182 4.320 0.002 0.000 0.205 71 K C 1.463 177.895 176.600 -0.280 0.000 1.050 71 K CA 1.823 57.960 56.287 -0.250 0.000 0.938 71 K CB -0.013 32.367 32.500 -0.199 0.000 0.718 71 K HN 0.122 nan 8.250 nan 0.000 0.442 72 D N -0.325 119.899 120.400 -0.294 0.000 2.309 72 D HA -0.110 4.531 4.640 0.002 0.000 0.212 72 D C 1.803 177.624 176.300 -0.798 0.000 0.968 72 D CA 1.070 54.784 54.000 -0.476 0.000 0.882 72 D CB 0.170 40.715 40.800 -0.425 0.000 0.918 72 D HN 0.271 nan 8.370 nan 0.000 0.503 73 S N -0.437 114.988 115.700 -0.459 0.000 2.387 73 S HA -0.026 4.445 4.470 0.002 0.000 0.221 73 S C 1.783 176.284 174.600 -0.165 0.000 1.041 73 S CA 0.221 58.282 58.200 -0.232 0.000 0.959 73 S CB -0.259 63.016 63.200 0.126 0.000 0.843 73 S HN 0.163 nan 8.310 nan 0.000 0.488 74 E N 1.101 121.176 120.200 -0.209 0.000 2.209 74 E HA -0.136 4.215 4.350 0.002 0.000 0.196 74 E C 2.376 178.834 176.600 -0.238 0.000 0.993 74 E CA 1.114 57.365 56.400 -0.248 0.000 0.819 74 E CB -0.116 29.314 29.700 -0.450 0.000 0.745 74 E HN 0.521 nan 8.360 nan 0.000 0.477 75 Q N 0.328 119.976 119.800 -0.254 0.000 1.993 75 Q HA -0.150 4.191 4.340 0.002 0.000 0.202 75 Q C 2.399 178.336 176.000 -0.105 0.000 0.984 75 Q CA 1.188 56.882 55.803 -0.182 0.000 0.837 75 Q CB -0.741 27.862 28.738 -0.224 0.000 0.902 75 Q HN 0.155 nan 8.270 nan 0.000 0.423 76 S N 0.493 116.104 115.700 -0.149 0.000 2.380 76 S HA -0.249 4.222 4.470 0.002 0.000 0.229 76 S C 1.976 176.606 174.600 0.049 0.000 1.043 76 S CA 1.601 59.802 58.200 0.003 0.000 1.038 76 S CB -0.247 63.067 63.200 0.190 0.000 0.872 76 S HN 0.460 nan 8.310 nan 0.000 0.456 77 A N 1.286 124.129 122.820 0.037 0.000 1.892 77 A HA 0.054 4.374 4.320 0.002 0.000 0.218 77 A C 2.484 180.075 177.584 0.012 0.000 1.188 77 A CA 2.212 54.277 52.037 0.045 0.000 0.631 77 A CB -1.475 17.574 19.000 0.083 0.000 0.822 77 A HN 0.797 nan 8.150 nan 0.000 0.447 78 A N -0.392 122.448 122.820 0.034 0.000 1.877 78 A HA -0.184 4.137 4.320 0.002 0.000 0.216 78 A C 2.029 179.667 177.584 0.089 0.000 1.186 78 A CA 1.933 53.924 52.037 -0.077 0.000 0.620 78 A CB -0.687 18.402 19.000 0.148 0.000 0.822 78 A HN 0.702 nan 8.150 nan 0.000 0.443 79 E N 0.012 120.274 120.200 0.104 0.000 2.086 79 E HA -0.227 4.124 4.350 0.002 0.000 0.200 79 E C 1.888 178.551 176.600 0.105 0.000 1.012 79 E CA 1.589 58.052 56.400 0.105 0.000 0.812 79 E CB -0.312 29.424 29.700 0.060 0.000 0.743 79 E HN 0.606 nan 8.360 nan 0.000 0.453 80 L N 0.181 121.455 121.223 0.085 0.000 2.083 80 L HA -0.163 4.178 4.340 0.002 0.000 0.209 80 L C 2.690 179.635 176.870 0.125 0.000 1.083 80 L CA 0.927 55.822 54.840 0.092 0.000 0.752 80 L CB -0.560 41.548 42.059 0.083 0.000 0.899 80 L HN 0.287 nan 8.230 nan 0.000 0.433 81 A N 0.238 123.117 122.820 0.097 0.000 1.902 81 A HA -0.161 4.160 4.320 0.002 0.000 0.217 81 A C 2.249 179.960 177.584 0.212 0.000 1.181 81 A CA 1.334 53.435 52.037 0.106 0.000 0.623 81 A CB -0.583 18.339 19.000 -0.130 0.000 0.818 81 A HN 0.344 nan 8.150 nan 0.000 0.443 82 L N -0.515 120.856 121.223 0.246 0.000 2.027 82 L HA -0.183 4.158 4.340 0.002 0.000 0.206 82 L C 2.241 179.138 176.870 0.044 0.000 1.074 82 L CA 1.437 56.316 54.840 0.065 0.000 0.745 82 L CB -0.801 41.249 42.059 -0.014 0.000 0.898 82 L HN 0.359 nan 8.230 nan 0.000 0.433 83 D N 0.550 120.991 120.400 0.068 0.000 2.108 83 D HA -0.218 4.422 4.640 0.002 0.000 0.190 83 D C 2.136 178.476 176.300 0.066 0.000 0.995 83 D CA 1.478 55.509 54.000 0.052 0.000 0.834 83 D CB -0.176 40.657 40.800 0.055 0.000 0.967 83 D HN 0.218 nan 8.370 nan 0.000 0.446 84 K N 0.226 120.693 120.400 0.112 0.000 2.063 84 K HA -0.079 4.242 4.320 0.002 0.000 0.208 84 K C 2.302 178.988 176.600 0.144 0.000 1.048 84 K CA 0.630 56.992 56.287 0.126 0.000 0.928 84 K CB -0.201 32.430 32.500 0.219 0.000 0.713 84 K HN 0.124 nan 8.250 nan 0.000 0.442 85 L N -0.832 120.505 121.223 0.191 0.000 2.362 85 L HA -0.064 4.277 4.340 0.002 0.000 0.219 85 L C 1.376 178.284 176.870 0.063 0.000 1.134 85 L CA 0.931 55.864 54.840 0.156 0.000 0.807 85 L CB -0.223 41.906 42.059 0.116 0.000 0.927 85 L HN 0.577 nan 8.230 nan 0.000 0.447 86 G N 0.111 108.930 108.800 0.031 0.000 2.179 86 G HA2 -0.244 3.717 3.960 0.002 0.000 0.220 86 G HA3 -0.244 3.717 3.960 0.002 0.000 0.220 86 G C 0.314 175.201 174.900 -0.022 0.000 0.990 86 G CA -0.308 44.797 45.100 0.008 0.000 0.646 86 G HN 0.275 nan 8.290 nan 0.000 0.517 87 I N 2.017 122.546 120.570 -0.068 0.000 2.373 87 I HA 0.289 4.460 4.170 0.002 0.000 0.287 87 I C 1.297 177.360 176.117 -0.089 0.000 1.124 87 I CA -0.530 60.701 61.300 -0.115 0.000 1.273 87 I CB 0.032 37.864 38.000 -0.281 0.000 1.578 87 I HN 0.086 nan 8.210 nan 0.000 0.572 88 R N 3.849 124.323 120.500 -0.043 0.000 2.738 88 R HA 0.196 4.537 4.340 0.002 0.000 0.275 88 R C -0.999 175.285 176.300 -0.027 0.000 1.121 88 R CA -1.142 54.942 56.100 -0.027 0.000 1.207 88 R CB 0.556 30.850 30.300 -0.009 0.000 1.141 88 R HN 0.120 nan 8.270 nan 0.000 0.571 89 P HA -0.146 nan 4.420 nan 0.000 0.236 89 P C 0.493 177.791 177.300 -0.003 0.000 1.172 89 P CA 1.217 64.312 63.100 -0.009 0.000 0.759 89 P CB 0.149 31.848 31.700 -0.002 0.000 0.843 90 Q N 0.302 120.100 119.800 -0.003 0.000 2.398 90 Q HA -0.040 4.301 4.340 0.002 0.000 0.204 90 Q C 1.841 177.842 176.000 0.003 0.000 0.932 90 Q CA 0.383 56.187 55.803 0.002 0.000 0.916 90 Q CB -0.237 28.503 28.738 0.003 0.000 1.024 90 Q HN 0.086 nan 8.270 nan 0.000 0.504 91 N N 0.574 119.274 118.700 -0.000 0.000 2.494 91 N HA -0.138 4.602 4.740 0.002 0.000 0.182 91 N C 1.364 176.880 175.510 0.011 0.000 1.076 91 N CA 0.826 53.880 53.050 0.006 0.000 0.908 91 N CB 0.036 38.524 38.487 0.001 0.000 0.967 91 N HN 0.214 nan 8.380 nan 0.000 0.449 92 D N 0.308 120.712 120.400 0.007 0.000 2.178 92 D HA -0.134 4.507 4.640 0.002 0.000 0.202 92 D C -0.622 175.685 176.300 0.012 0.000 0.974 92 D CA 0.625 54.632 54.000 0.012 0.000 0.841 92 D CB -0.310 40.495 40.800 0.008 0.000 0.953 92 D HN 0.263 nan 8.370 nan 0.000 0.478 93 D N 1.122 121.527 120.400 0.009 0.000 2.402 93 D HA 0.005 4.646 4.640 0.002 0.000 0.268 93 D C 0.021 176.325 176.300 0.006 0.000 1.294 93 D CA 0.315 54.319 54.000 0.007 0.000 0.945 93 D CB 0.348 41.151 40.800 0.006 0.000 1.112 93 D HN 0.270 nan 8.370 nan 0.000 0.517 94 L N 2.721 123.946 121.223 0.002 0.000 2.265 94 L HA 0.178 4.519 4.340 0.002 0.000 0.289 94 L C 0.875 177.741 176.870 -0.007 0.000 1.033 94 L CA -0.612 54.227 54.840 -0.002 0.000 0.814 94 L CB 1.044 43.100 42.059 -0.005 0.000 1.203 94 L HN 0.130 nan 8.230 nan 0.000 0.423 95 T N 1.793 116.344 114.554 -0.005 0.000 2.932 95 T HA -0.016 4.335 4.350 0.002 0.000 0.312 95 T C 1.614 176.306 174.700 -0.013 0.000 1.071 95 T CA -0.485 61.611 62.100 -0.006 0.000 1.128 95 T CB 1.534 70.401 68.868 -0.002 0.000 0.984 95 T HN 0.364 nan 8.240 nan 0.000 0.549 96 V N 1.970 121.876 119.914 -0.013 0.000 2.982 96 V HA -0.138 3.983 4.120 0.002 0.000 0.265 96 V C 1.797 177.881 176.094 -0.018 0.000 1.122 96 V CA 1.606 63.894 62.300 -0.021 0.000 1.143 96 V CB -0.527 31.290 31.823 -0.010 0.000 0.726 96 V HN 0.813 nan 8.190 nan 0.000 0.507 97 D N -0.400 119.995 120.400 -0.010 0.000 2.338 97 D HA -0.035 4.606 4.640 0.002 0.000 0.224 97 D C 2.092 178.385 176.300 -0.011 0.000 0.967 97 D CA 0.574 54.570 54.000 -0.006 0.000 0.896 97 D CB 0.028 40.827 40.800 -0.001 0.000 1.028 97 D HN 0.503 nan 8.370 nan 0.000 0.493 98 E N 1.402 121.595 120.200 -0.011 0.000 2.160 98 E HA -0.123 4.228 4.350 0.002 0.000 0.195 98 E C 2.029 178.617 176.600 -0.020 0.000 0.991 98 E CA 0.883 57.276 56.400 -0.013 0.000 0.810 98 E CB 0.025 29.721 29.700 -0.008 0.000 0.742 98 E HN 0.146 nan 8.360 nan 0.000 0.466 99 A N 1.396 124.200 122.820 -0.027 0.000 1.898 99 A HA -0.145 4.176 4.320 0.002 0.000 0.216 99 A C 2.072 179.632 177.584 -0.040 0.000 1.181 99 A CA 1.146 53.158 52.037 -0.041 0.000 0.620 99 A CB -0.247 18.715 19.000 -0.063 0.000 0.819 99 A HN 0.049 nan 8.150 nan 0.000 0.442 100 R N -0.703 119.779 120.500 -0.030 0.000 2.148 100 R HA -0.072 4.269 4.340 0.002 0.000 0.223 100 R C 1.839 178.134 176.300 -0.009 0.000 1.088 100 R CA 1.160 57.253 56.100 -0.011 0.000 0.985 100 R CB -0.238 30.067 30.300 0.008 0.000 0.880 100 R HN 0.621 nan 8.270 nan 0.000 0.451 101 D N 0.785 121.176 120.400 -0.015 0.000 2.097 101 D HA -0.160 4.481 4.640 0.002 0.000 0.197 101 D C 1.576 177.861 176.300 -0.024 0.000 0.984 101 D CA 1.245 55.233 54.000 -0.019 0.000 0.826 101 D CB 0.192 40.981 40.800 -0.017 0.000 0.973 101 D HN 0.032 nan 8.370 nan 0.000 0.460 102 E N 0.308 120.493 120.200 -0.025 0.000 2.031 102 E HA -0.124 4.227 4.350 0.002 0.000 0.193 102 E C 2.558 179.142 176.600 -0.027 0.000 0.994 102 E CA 0.548 56.931 56.400 -0.029 0.000 0.800 102 E CB -0.433 29.250 29.700 -0.030 0.000 0.752 102 E HN 0.473 nan 8.360 nan 0.000 0.447 103 I N 0.872 121.430 120.570 -0.020 0.000 2.151 103 I HA -0.280 3.891 4.170 0.002 0.000 0.243 103 I C 2.511 178.625 176.117 -0.005 0.000 1.080 103 I CA 0.927 62.222 61.300 -0.008 0.000 1.339 103 I CB -0.457 37.547 38.000 0.007 0.000 1.039 103 I HN -0.064 nan 8.210 nan 0.000 0.409 104 V N 1.097 121.005 119.914 -0.011 0.000 2.287 104 V HA -0.257 3.864 4.120 0.002 0.000 0.248 104 V C 2.590 178.663 176.094 -0.034 0.000 1.053 104 V CA 2.357 64.643 62.300 -0.023 0.000 1.027 104 V CB -1.422 30.380 31.823 -0.036 0.000 0.646 104 V HN 0.600 nan 8.190 nan 0.000 0.447 105 G N -0.545 108.234 108.800 -0.035 0.000 2.432 105 G HA2 -0.295 3.666 3.960 0.002 0.000 0.219 105 G HA3 -0.295 3.666 3.960 0.002 0.000 0.219 105 G C 1.686 176.588 174.900 0.003 0.000 1.135 105 G CA 0.907 45.990 45.100 -0.029 0.000 0.767 105 G HN 0.422 nan 8.290 nan 0.000 0.550 106 R N 0.411 120.903 120.500 -0.013 0.000 2.090 106 R HA 0.184 4.525 4.340 0.002 0.000 0.228 106 R C 2.447 178.746 176.300 -0.001 0.000 1.110 106 R CA 0.770 56.858 56.100 -0.019 0.000 0.973 106 R CB -0.508 29.758 30.300 -0.056 0.000 0.869 106 R HN 0.423 nan 8.270 nan 0.000 0.440 107 I N 1.446 122.029 120.570 0.021 0.000 2.226 107 I HA -0.310 3.861 4.170 0.002 0.000 0.245 107 I C 2.239 178.459 176.117 0.172 0.000 1.100 107 I CA 1.809 63.164 61.300 0.091 0.000 1.374 107 I CB -0.459 37.592 38.000 0.086 0.000 1.057 107 I HN 0.278 nan 8.210 nan 0.000 0.413 108 K N 0.793 121.248 120.400 0.091 0.000 2.097 108 K HA -0.269 4.052 4.320 0.002 0.000 0.206 108 K C 2.329 179.023 176.600 0.157 0.000 1.049 108 K CA 1.712 58.061 56.287 0.104 0.000 0.933 108 K CB -0.776 31.695 32.500 -0.050 0.000 0.717 108 K HN 0.291 nan 8.250 nan 0.000 0.442 109 Y N 2.111 122.405 120.300 -0.010 0.000 2.200 109 Y HA -0.052 4.499 4.550 0.001 0.000 0.290 109 Y C 1.946 177.771 175.900 -0.125 0.000 1.137 109 Y CA 1.266 59.345 58.100 -0.034 0.000 1.163 109 Y CB -0.050 38.362 38.460 -0.081 0.000 0.988 109 Y HN -0.053 nan 8.280 nan 0.000 0.518 110 I N -0.873 119.487 120.570 -0.351 0.000 2.454 110 I HA -0.297 3.874 4.170 0.002 0.000 0.254 110 I C 1.066 176.876 176.117 -0.511 0.000 1.156 110 I CA 1.295 62.068 61.300 -0.879 0.000 1.433 110 I CB -0.370 37.052 38.000 -0.963 0.000 1.082 110 I HN 0.148 nan 8.210 nan 0.000 0.432 111 F N 0.556 120.435 119.950 -0.117 0.000 2.693 111 F HA 0.106 4.634 4.527 0.001 0.000 0.303 111 F C 1.591 177.394 175.800 0.004 0.000 1.097 111 F CA -0.400 57.601 58.000 0.002 0.000 1.330 111 F CB -0.092 38.889 39.000 -0.031 0.000 1.067 111 F HN -0.073 nan 8.300 nan 0.000 0.565 112 S N -0.533 115.199 115.700 0.053 0.000 2.580 112 S HA 0.052 4.523 4.470 0.002 0.000 0.274 112 S C 1.077 175.732 174.600 0.091 0.000 1.329 112 S CA -0.770 57.440 58.200 0.017 0.000 1.036 112 S CB 0.926 64.037 63.200 -0.149 0.000 0.919 112 S HN 0.155 nan 8.310 nan 0.000 0.515 113 D N 1.923 122.407 120.400 0.140 0.000 2.228 113 D HA -0.138 4.503 4.640 0.002 0.000 0.203 113 D C 1.636 177.979 176.300 0.072 0.000 0.988 113 D CA 1.640 55.758 54.000 0.197 0.000 0.864 113 D CB -0.102 40.789 40.800 0.151 0.000 0.928 113 D HN 0.836 nan 8.370 nan 0.000 0.469 114 E N -0.357 119.846 120.200 0.006 0.000 2.072 114 E HA -0.101 4.249 4.350 0.002 0.000 0.190 114 E C 1.828 178.403 176.600 -0.041 0.000 0.982 114 E CA 0.230 56.624 56.400 -0.010 0.000 0.803 114 E CB -0.247 29.468 29.700 0.025 0.000 0.755 114 E HN 0.233 nan 8.360 nan 0.000 0.453 115 F N 1.571 121.362 119.950 -0.265 0.000 2.365 115 F HA -0.084 4.444 4.527 0.001 0.000 0.300 115 F C 1.866 177.570 175.800 -0.161 0.000 1.090 115 F CA 0.395 58.258 58.000 -0.228 0.000 1.408 115 F CB 0.136 38.891 39.000 -0.409 0.000 1.060 115 F HN 0.001 nan 8.300 nan 0.000 0.534 116 L N 0.178 121.355 121.223 -0.076 0.000 2.549 116 L HA -0.107 4.234 4.340 0.002 0.000 0.230 116 L C 1.944 178.667 176.870 -0.245 0.000 1.162 116 L CA 1.821 56.547 54.840 -0.189 0.000 0.834 116 L CB -0.966 40.887 42.059 -0.343 0.000 0.947 116 L HN 0.282 nan 8.230 nan 0.000 0.452 117 S N -2.229 113.322 115.700 -0.247 0.000 2.632 117 S HA 0.438 4.909 4.470 0.002 0.000 0.237 117 S C 0.992 175.445 174.600 -0.246 0.000 1.037 117 S CA -0.011 58.067 58.200 -0.203 0.000 1.009 117 S CB -0.269 62.859 63.200 -0.120 0.000 0.974 117 S HN 0.350 nan 8.310 nan 0.000 0.544 118 A N 2.109 124.689 122.820 -0.399 0.000 2.561 118 A HA 0.265 4.585 4.320 0.002 0.000 0.234 118 A C 0.933 178.352 177.584 -0.274 0.000 1.055 118 A CA 0.034 51.839 52.037 -0.387 0.000 0.756 118 A CB 0.102 18.637 19.000 -0.775 0.000 0.986 118 A HN 0.388 nan 8.150 nan 0.000 0.505 119 E N 1.091 121.237 120.200 -0.090 0.000 2.416 119 E HA -0.018 4.333 4.350 0.002 0.000 0.189 119 E C 0.459 177.051 176.600 -0.014 0.000 1.091 119 E CA 0.156 56.555 56.400 -0.002 0.000 0.889 119 E CB -0.393 29.375 29.700 0.113 0.000 1.015 119 E HN 0.700 nan 8.360 nan 0.000 0.479 120 H N 0.999 119.861 119.070 -0.346 0.000 2.679 120 H HA 0.053 4.610 4.556 0.001 0.000 0.369 120 H C -1.583 173.299 175.328 -0.742 0.000 1.178 120 H CA -1.594 53.954 56.048 -0.833 0.000 1.419 120 H CB 1.407 30.890 29.762 -0.465 0.000 1.458 120 H HN -0.228 nan 8.280 nan 0.000 0.605 121 P HA -0.107 nan 4.420 nan 0.000 0.217 121 P C 1.822 179.190 177.300 0.114 0.000 1.150 121 P CA 1.085 64.008 63.100 -0.295 0.000 0.832 121 P CB 0.210 31.729 31.700 -0.301 0.000 0.787 122 L N -1.281 120.123 121.223 0.303 0.000 2.042 122 L HA -0.145 4.196 4.340 0.002 0.000 0.210 122 L C 2.565 179.550 176.870 0.191 0.000 1.076 122 L CA 1.954 56.956 54.840 0.270 0.000 0.749 122 L CB -1.557 40.659 42.059 0.262 0.000 0.893 122 L HN 0.091 nan 8.230 nan 0.000 0.432 123 G N -0.878 107.932 108.800 0.016 0.000 2.448 123 G HA2 -0.117 3.844 3.960 0.002 0.000 0.218 123 G HA3 -0.117 3.844 3.960 0.002 0.000 0.218 123 G C 1.776 176.568 174.900 -0.180 0.000 1.135 123 G CA 0.642 45.659 45.100 -0.139 0.000 0.784 123 G HN 0.449 nan 8.290 nan 0.000 0.543 124 A N 0.336 123.016 122.820 -0.233 0.000 1.902 124 A HA -0.085 4.236 4.320 0.002 0.000 0.217 124 A C 2.123 179.333 177.584 -0.623 0.000 1.181 124 A CA 1.611 53.384 52.037 -0.441 0.000 0.623 124 A CB -0.690 18.012 19.000 -0.498 0.000 0.818 124 A HN 0.431 nan 8.150 nan 0.000 0.443 125 H N -0.396 118.438 119.070 -0.395 0.000 2.253 125 H HA -0.069 4.488 4.556 0.001 0.000 0.299 125 H C 2.215 177.437 175.328 -0.176 0.000 1.064 125 H CA 1.785 57.710 56.048 -0.206 0.000 1.264 125 H CB -0.624 29.134 29.762 -0.007 0.000 1.371 125 H HN 0.374 nan 8.280 nan 0.000 0.493 126 L N 0.529 121.759 121.223 0.012 0.000 1.997 126 L HA -0.321 4.020 4.340 0.002 0.000 0.227 126 L C 2.947 179.776 176.870 -0.068 0.000 1.087 126 L CA 1.668 56.486 54.840 -0.038 0.000 0.797 126 L CB -0.415 41.613 42.059 -0.052 0.000 0.902 126 L HN 0.287 nan 8.230 nan 0.000 0.441 127 R N -0.698 119.726 120.500 -0.127 0.000 2.117 127 R HA -0.201 4.140 4.340 0.002 0.000 0.243 127 R C 2.206 178.454 176.300 -0.087 0.000 1.143 127 R CA 1.431 57.452 56.100 -0.131 0.000 0.968 127 R CB -0.511 29.695 30.300 -0.156 0.000 0.863 127 R HN 0.464 nan 8.270 nan 0.000 0.444 128 A N 0.838 123.592 122.820 -0.109 0.000 2.066 128 A HA 0.031 4.352 4.320 0.002 0.000 0.218 128 A C 2.205 179.814 177.584 0.042 0.000 1.157 128 A CA 1.294 53.327 52.037 -0.007 0.000 0.670 128 A CB -0.264 18.751 19.000 0.024 0.000 0.804 128 A HN 0.379 nan 8.150 nan 0.000 0.453 129 A N -0.757 122.057 122.820 -0.010 0.000 2.119 129 A HA 0.228 4.549 4.320 0.002 0.000 0.216 129 A C 1.874 179.477 177.584 0.032 0.000 1.152 129 A CA 0.769 52.803 52.037 -0.005 0.000 0.708 129 A CB -0.337 18.661 19.000 -0.003 0.000 0.805 129 A HN 0.444 nan 8.150 nan 0.000 0.460 130 L N -1.349 119.889 121.223 0.025 0.000 2.509 130 L HA 0.062 4.403 4.340 0.002 0.000 0.222 130 L C 2.282 179.167 176.870 0.024 0.000 1.123 130 L CA 0.308 55.167 54.840 0.032 0.000 0.856 130 L CB -0.074 41.990 42.059 0.009 0.000 0.985 130 L HN 0.314 nan 8.230 nan 0.000 0.456 131 R N -0.328 120.189 120.500 0.029 0.000 2.297 131 R HA 0.079 4.420 4.340 0.002 0.000 0.197 131 R C 0.336 176.660 176.300 0.041 0.000 0.943 131 R CA -0.120 56.000 56.100 0.033 0.000 1.038 131 R CB 0.078 30.406 30.300 0.046 0.000 0.957 131 R HN 0.268 nan 8.270 nan 0.000 0.484 132 R N 1.396 121.924 120.500 0.045 0.000 2.590 132 R HA 0.007 4.348 4.340 0.002 0.000 0.274 132 R C -0.379 175.930 176.300 0.014 0.000 1.061 132 R CA -0.158 55.968 56.100 0.043 0.000 1.081 132 R CB 0.263 30.590 30.300 0.045 0.000 0.984 132 R HN -0.070 nan 8.270 nan 0.000 0.448 133 D N 0.829 121.237 120.400 0.012 0.000 2.345 133 D HA 0.304 4.945 4.640 0.002 0.000 0.247 133 D C 0.936 177.221 176.300 -0.026 0.000 1.108 133 D CA 1.435 55.434 54.000 -0.002 0.000 0.894 133 D CB 0.947 41.751 40.800 0.005 0.000 1.203 133 D HN 0.575 nan 8.370 nan 0.000 0.430 134 G N 3.090 111.871 108.800 -0.032 0.000 2.564 134 G HA2 -0.366 3.595 3.960 0.002 0.000 0.273 134 G HA3 -0.366 3.595 3.960 0.002 0.000 0.273 134 G C 0.931 175.764 174.900 -0.112 0.000 1.242 134 G CA 0.453 45.522 45.100 -0.052 0.000 0.951 134 G HN 0.643 nan 8.290 nan 0.000 0.564 135 E N 0.592 120.692 120.200 -0.167 0.000 2.273 135 E HA -0.194 4.157 4.350 0.002 0.000 0.198 135 E C 2.601 178.820 176.600 -0.635 0.000 1.002 135 E CA 1.420 57.611 56.400 -0.348 0.000 0.828 135 E CB -0.139 29.361 29.700 -0.333 0.000 0.747 135 E HN 0.533 nan 8.360 nan 0.000 0.491 136 R N 0.113 120.336 120.500 -0.462 0.000 2.236 136 R HA 0.047 4.388 4.340 0.002 0.000 0.208 136 R C 1.171 177.398 176.300 -0.121 0.000 1.036 136 R CA 0.044 55.965 56.100 -0.298 0.000 1.001 136 R CB -0.383 29.883 30.300 -0.056 0.000 0.896 136 R HN 0.086 nan 8.270 nan 0.000 0.464 137 C N 1.498 120.740 119.300 -0.097 0.000 2.634 137 C HA 0.294 4.755 4.460 0.002 0.000 0.418 137 C C 1.772 176.761 174.990 -0.001 0.000 1.373 137 C CA 1.150 60.151 59.018 -0.028 0.000 1.756 137 C CB -0.739 26.989 27.740 -0.020 0.000 2.589 137 C HN 0.893 nan 8.230 nan 0.000 0.602 138 G N 4.696 113.525 108.800 0.048 0.000 2.179 138 G HA2 -0.188 3.773 3.960 0.002 0.000 0.260 138 G HA3 -0.188 3.773 3.960 0.002 0.000 0.260 138 G C 0.140 175.107 174.900 0.112 0.000 0.977 138 G CA 0.436 45.597 45.100 0.102 0.000 0.641 138 G HN 1.010 nan 8.290 nan 0.000 0.533 139 S N -0.545 115.201 115.700 0.076 0.000 2.451 139 S HA 0.681 5.152 4.470 0.002 0.000 0.301 139 S C 0.046 174.701 174.600 0.091 0.000 1.116 139 S CA -0.544 57.710 58.200 0.091 0.000 1.093 139 S CB 2.577 65.826 63.200 0.082 0.000 1.017 139 S HN 0.575 nan 8.310 nan 0.000 0.482 140 V N 5.188 125.183 119.914 0.136 0.000 2.459 140 V HA 0.394 4.515 4.120 0.002 0.000 0.295 140 V C -2.385 173.749 176.094 0.067 0.000 1.029 140 V CA -2.295 60.053 62.300 0.080 0.000 0.874 140 V CB 1.738 33.650 31.823 0.149 0.000 0.985 140 V HN 0.618 nan 8.190 nan 0.000 0.438 141 P HA 0.080 nan 4.420 nan 0.000 0.267 141 P C 0.960 178.289 177.300 0.048 0.000 1.205 141 P CA 0.101 63.226 63.100 0.041 0.000 0.765 141 P CB 0.779 32.507 31.700 0.045 0.000 0.828 142 V N 2.776 122.728 119.914 0.063 0.000 2.287 142 V HA -0.293 3.828 4.120 0.002 0.000 0.248 142 V C 2.267 178.389 176.094 0.047 0.000 1.053 142 V CA 2.692 65.029 62.300 0.062 0.000 1.027 142 V CB -1.716 30.149 31.823 0.069 0.000 0.646 142 V HN 0.663 nan 8.190 nan 0.000 0.447 143 S N 0.562 116.292 115.700 0.050 0.000 2.392 143 S HA -0.237 4.234 4.470 0.002 0.000 0.232 143 S C 1.928 176.542 174.600 0.023 0.000 1.041 143 S CA 1.799 60.021 58.200 0.035 0.000 1.026 143 S CB -1.067 62.167 63.200 0.058 0.000 0.845 143 S HN 0.378 nan 8.310 nan 0.000 0.465 144 V N 2.404 122.323 119.914 0.008 0.000 2.287 144 V HA -0.160 3.961 4.120 0.002 0.000 0.248 144 V C 2.566 178.603 176.094 -0.096 0.000 1.053 144 V CA 1.662 63.907 62.300 -0.091 0.000 1.027 144 V CB -0.816 30.887 31.823 -0.199 0.000 0.646 144 V HN 0.449 nan 8.190 nan 0.000 0.447 145 I N 0.679 121.224 120.570 -0.042 0.000 2.179 145 I HA -0.187 3.984 4.170 0.002 0.000 0.242 145 I C 2.590 178.705 176.117 -0.003 0.000 1.088 145 I CA 2.094 63.381 61.300 -0.022 0.000 1.357 145 I CB -1.477 36.548 38.000 0.040 0.000 1.051 145 I HN 0.344 nan 8.210 nan 0.000 0.409 146 A N -0.382 122.448 122.820 0.017 0.000 2.167 146 A HA -0.062 4.259 4.320 0.002 0.000 0.214 146 A C 2.264 179.858 177.584 0.017 0.000 1.151 146 A CA 1.565 53.618 52.037 0.027 0.000 0.735 146 A CB -0.551 18.473 19.000 0.040 0.000 0.802 146 A HN 0.427 nan 8.150 nan 0.000 0.467 147 T N -1.498 113.062 114.554 0.011 0.000 3.045 147 T HA 0.044 4.395 4.350 0.002 0.000 0.239 147 T C 1.771 176.498 174.700 0.046 0.000 1.008 147 T CA 1.141 63.253 62.100 0.021 0.000 1.143 147 T CB -0.061 68.823 68.868 0.027 0.000 0.894 147 T HN 0.096 nan 8.240 nan 0.000 0.451 148 V N 1.615 121.553 119.914 0.041 0.000 2.591 148 V HA 0.032 4.153 4.120 0.002 0.000 0.249 148 V C 0.917 177.076 176.094 0.110 0.000 1.053 148 V CA 0.745 63.093 62.300 0.081 0.000 1.068 148 V CB -0.299 31.553 31.823 0.049 0.000 0.689 148 V HN 0.399 nan 8.190 nan 0.000 0.462 149 D N 0.309 120.744 120.400 0.059 0.000 2.343 149 D HA 0.311 4.952 4.640 0.002 0.000 0.255 149 D C 1.017 177.370 176.300 0.089 0.000 1.187 149 D CA 0.646 54.686 54.000 0.067 0.000 0.875 149 D CB 1.742 42.523 40.800 -0.032 0.000 1.136 149 D HN 0.134 nan 8.370 nan 0.000 0.469 150 A N 5.138 128.049 122.820 0.152 0.000 1.877 150 A HA -0.179 4.142 4.320 0.002 0.000 0.216 150 A C 1.991 179.623 177.584 0.080 0.000 1.186 150 A CA 1.642 53.755 52.037 0.127 0.000 0.620 150 A CB -0.406 18.699 19.000 0.175 0.000 0.822 150 A HN 0.670 nan 8.150 nan 0.000 0.443 151 K N -0.585 119.859 120.400 0.072 0.000 2.103 151 K HA -0.122 4.199 4.320 0.002 0.000 0.207 151 K C 1.735 178.341 176.600 0.010 0.000 1.048 151 K CA 1.431 57.737 56.287 0.032 0.000 0.930 151 K CB -0.200 32.307 32.500 0.012 0.000 0.716 151 K HN 0.376 nan 8.250 nan 0.000 0.444 152 I N 1.889 122.463 120.570 0.007 0.000 2.252 152 I HA -0.255 3.916 4.170 0.002 0.000 0.245 152 I C 1.945 178.065 176.117 0.005 0.000 1.102 152 I CA 1.226 62.527 61.300 0.001 0.000 1.385 152 I CB -1.250 36.752 38.000 0.002 0.000 1.064 152 I HN 0.312 nan 8.210 nan 0.000 0.414 153 N N 0.996 119.707 118.700 0.018 0.000 2.039 153 N HA -0.160 4.580 4.740 0.002 0.000 0.193 153 N C 2.080 177.591 175.510 0.002 0.000 1.044 153 N CA 2.096 55.155 53.050 0.016 0.000 0.847 153 N CB -0.296 38.210 38.487 0.032 0.000 1.030 153 N HN 0.397 nan 8.380 nan 0.000 0.422 154 S N 1.361 117.068 115.700 0.011 0.000 2.370 154 S HA -0.064 4.407 4.470 0.002 0.000 0.226 154 S C 1.926 176.515 174.600 -0.018 0.000 1.033 154 S CA 0.697 58.899 58.200 0.004 0.000 1.011 154 S CB -0.162 63.048 63.200 0.018 0.000 0.852 154 S HN 0.164 nan 8.310 nan 0.000 0.457 155 R N 0.667 121.154 120.500 -0.022 0.000 2.070 155 R HA 0.025 4.365 4.340 0.002 0.000 0.233 155 R C 2.694 178.943 176.300 -0.084 0.000 1.137 155 R CA 1.249 57.323 56.100 -0.043 0.000 0.945 155 R CB -1.876 28.402 30.300 -0.036 0.000 0.845 155 R HN 0.564 nan 8.270 nan 0.000 0.430 156 C N 1.422 120.671 119.300 -0.085 0.000 2.413 156 C HA -0.093 4.368 4.460 0.002 0.000 0.277 156 C C 2.506 177.384 174.990 -0.185 0.000 1.265 156 C CA 0.811 59.736 59.018 -0.154 0.000 1.752 156 C CB -0.614 27.091 27.740 -0.059 0.000 1.998 156 C HN 0.433 nan 8.230 nan 0.000 0.489 157 K N 0.428 120.772 120.400 -0.093 0.000 2.026 157 K HA -0.122 4.199 4.320 0.002 0.000 0.208 157 K C 1.606 178.152 176.600 -0.089 0.000 1.048 157 K CA 1.749 57.995 56.287 -0.070 0.000 0.929 157 K CB -0.327 32.154 32.500 -0.031 0.000 0.713 157 K HN 0.541 nan 8.250 nan 0.000 0.439 158 I N 1.275 121.795 120.570 -0.084 0.000 2.208 158 I HA -0.301 3.870 4.170 0.002 0.000 0.245 158 I C 2.285 178.339 176.117 -0.105 0.000 1.097 158 I CA 1.315 62.571 61.300 -0.073 0.000 1.363 158 I CB -0.517 37.450 38.000 -0.056 0.000 1.051 158 I HN 0.113 nan 8.210 nan 0.000 0.413 159 I N 0.213 120.669 120.570 -0.189 0.000 2.194 159 I HA -0.253 3.918 4.170 0.002 0.000 0.246 159 I C 0.737 176.743 176.117 -0.184 0.000 1.093 159 I CA 1.355 62.506 61.300 -0.248 0.000 1.355 159 I CB -0.211 37.472 38.000 -0.527 0.000 1.046 159 I HN 0.373 nan 8.210 nan 0.000 0.413 160 N N -0.830 117.762 118.700 -0.179 0.000 2.875 160 N HA 0.149 4.890 4.740 0.002 0.000 0.253 160 N C -2.209 173.296 175.510 -0.008 0.000 1.296 160 N CA -1.222 51.809 53.050 -0.032 0.000 0.816 160 N CB 1.227 39.777 38.487 0.105 0.000 1.504 160 N HN -0.292 nan 8.380 nan 0.000 0.582 161 P HA -0.200 nan 4.420 nan 0.000 0.217 161 P C 1.364 178.680 177.300 0.026 0.000 1.151 161 P CA 1.666 64.768 63.100 0.004 0.000 0.849 161 P CB 0.202 31.905 31.700 0.006 0.000 0.787 162 S N -1.097 114.631 115.700 0.047 0.000 2.444 162 S HA -0.196 4.275 4.470 0.002 0.000 0.244 162 S C 1.874 176.517 174.600 0.072 0.000 1.025 162 S CA 1.624 59.861 58.200 0.062 0.000 0.995 162 S CB -1.888 61.361 63.200 0.081 0.000 0.781 162 S HN -0.005 nan 8.310 nan 0.000 0.496 163 V N 2.012 121.979 119.914 0.089 0.000 2.453 163 V HA -0.243 3.878 4.120 0.002 0.000 0.252 163 V C 2.709 178.825 176.094 0.036 0.000 1.068 163 V CA 2.328 64.685 62.300 0.095 0.000 1.070 163 V CB -1.007 30.882 31.823 0.109 0.000 0.664 163 V HN 0.604 nan 8.190 nan 0.000 0.461 164 E N 0.616 120.826 120.200 0.017 0.000 2.118 164 E HA -0.201 4.150 4.350 0.002 0.000 0.195 164 E C 2.358 178.948 176.600 -0.018 0.000 0.992 164 E CA 1.646 58.040 56.400 -0.009 0.000 0.804 164 E CB -0.208 29.484 29.700 -0.014 0.000 0.741 164 E HN 0.836 nan 8.360 nan 0.000 0.458 165 S N 1.306 117.006 115.700 0.000 0.000 2.338 165 S HA -0.127 4.344 4.470 0.002 0.000 0.218 165 S C 0.729 175.329 174.600 0.000 0.000 1.032 165 S CA 1.111 59.311 58.200 -0.001 0.000 0.999 165 S CB -0.285 62.928 63.200 0.020 0.000 0.905 165 S HN 0.230 nan 8.310 nan 0.000 0.439 166 D N 1.317 121.735 120.400 0.031 0.000 2.481 166 D HA 0.383 5.024 4.640 0.002 0.000 0.246 166 D C -2.371 173.923 176.300 -0.009 0.000 1.109 166 D CA -2.455 51.576 54.000 0.051 0.000 0.845 166 D CB 1.626 42.532 40.800 0.177 0.000 1.160 166 D HN 0.120 nan 8.370 nan 0.000 0.534 167 P HA -0.043 nan 4.420 nan 0.000 0.231 167 P C 1.195 178.358 177.300 -0.229 0.000 1.168 167 P CA 0.203 63.180 63.100 -0.206 0.000 0.779 167 P CB -0.028 31.506 31.700 -0.276 0.000 0.844 168 F N 0.276 120.118 119.950 -0.180 0.000 2.271 168 F HA -0.170 4.358 4.527 0.002 0.000 0.302 168 F C 2.463 178.081 175.800 -0.302 0.000 1.063 168 F CA 0.874 58.664 58.000 -0.350 0.000 1.362 168 F CB -1.436 37.091 39.000 -0.789 0.000 1.060 168 F HN -0.193 nan 8.300 nan 0.000 0.521 169 L N -0.212 120.998 121.223 -0.022 0.000 2.012 169 L HA -0.276 4.065 4.340 0.002 0.000 0.210 169 L C 2.812 179.605 176.870 -0.128 0.000 1.073 169 L CA 1.273 56.049 54.840 -0.107 0.000 0.748 169 L CB -1.116 41.024 42.059 0.135 0.000 0.891 169 L HN 0.210 nan 8.230 nan 0.000 0.431 170 A N 0.237 123.186 122.820 0.215 0.000 1.908 170 A HA -0.198 4.123 4.320 0.002 0.000 0.218 170 A C 2.169 179.846 177.584 0.154 0.000 1.181 170 A CA 1.448 53.685 52.037 0.333 0.000 0.627 170 A CB -0.545 18.555 19.000 0.166 0.000 0.818 170 A HN 0.289 nan 8.150 nan 0.000 0.445 171 I N 0.109 120.713 120.570 0.058 0.000 2.194 171 I HA -0.200 3.971 4.170 0.002 0.000 0.246 171 I C 2.542 178.700 176.117 0.068 0.000 1.093 171 I CA 1.863 63.201 61.300 0.063 0.000 1.355 171 I CB -1.481 36.565 38.000 0.077 0.000 1.046 171 I HN 0.235 nan 8.210 nan 0.000 0.413 172 S N -0.594 115.116 115.700 0.016 0.000 2.414 172 S HA -0.096 4.375 4.470 0.002 0.000 0.227 172 S C 1.991 176.554 174.600 -0.061 0.000 1.022 172 S CA 0.650 58.838 58.200 -0.021 0.000 0.958 172 S CB -0.253 62.927 63.200 -0.034 0.000 0.797 172 S HN 0.386 nan 8.310 nan 0.000 0.493 173 Y N 0.837 121.182 120.300 0.075 0.000 2.224 173 Y HA -0.110 4.441 4.550 0.002 0.000 0.289 173 Y C 2.380 178.301 175.900 0.036 0.000 1.146 173 Y CA 0.634 58.764 58.100 0.048 0.000 1.182 173 Y CB -0.353 38.129 38.460 0.037 0.000 0.983 173 Y HN 0.074 nan 8.280 nan 0.000 0.524 174 V N -0.565 119.457 119.914 0.179 0.000 2.379 174 V HA -0.290 3.831 4.120 0.002 0.000 0.245 174 V C 2.274 178.412 176.094 0.073 0.000 1.044 174 V CA 1.325 63.691 62.300 0.111 0.000 1.036 174 V CB -0.469 31.410 31.823 0.094 0.000 0.664 174 V HN 0.384 nan 8.190 nan 0.000 0.453 175 M N -0.026 119.612 119.600 0.063 0.000 2.080 175 M HA -0.190 4.291 4.480 0.002 0.000 0.260 175 M C 2.162 178.479 176.300 0.029 0.000 1.068 175 M CA 1.815 57.139 55.300 0.040 0.000 1.109 175 M CB -1.146 31.479 32.600 0.041 0.000 1.342 175 M HN 0.324 nan 8.290 nan 0.000 0.405 176 K N -0.280 120.143 120.400 0.039 0.000 2.097 176 K HA -0.061 4.260 4.320 0.002 0.000 0.206 176 K C 2.053 178.674 176.600 0.034 0.000 1.049 176 K CA 1.418 57.726 56.287 0.035 0.000 0.933 176 K CB -0.204 32.327 32.500 0.052 0.000 0.717 176 K HN 0.308 nan 8.250 nan 0.000 0.442 177 A N 1.399 124.247 122.820 0.046 0.000 1.929 177 A HA 0.009 4.330 4.320 0.002 0.000 0.216 177 A C 2.351 179.935 177.584 -0.001 0.000 1.176 177 A CA 1.438 53.491 52.037 0.027 0.000 0.628 177 A CB -0.479 18.544 19.000 0.039 0.000 0.816 177 A HN 0.294 nan 8.150 nan 0.000 0.444 178 A N 0.001 122.821 122.820 -0.001 0.000 1.933 178 A HA 0.182 4.503 4.320 0.002 0.000 0.218 178 A C 2.424 179.987 177.584 -0.035 0.000 1.175 178 A CA 1.892 53.910 52.037 -0.031 0.000 0.628 178 A CB -0.866 18.110 19.000 -0.040 0.000 0.814 178 A HN 1.012 nan 8.150 nan 0.000 0.444 179 A N -0.178 122.630 122.820 -0.020 0.000 2.015 179 A HA -0.092 4.229 4.320 0.002 0.000 0.219 179 A C 1.970 179.544 177.584 -0.017 0.000 1.163 179 A CA 1.517 53.543 52.037 -0.018 0.000 0.646 179 A CB -0.344 18.650 19.000 -0.010 0.000 0.806 179 A HN 0.548 nan 8.150 nan 0.000 0.448 180 K N -1.449 118.940 120.400 -0.017 0.000 2.432 180 K HA 0.083 4.404 4.320 0.002 0.000 0.196 180 K C -0.378 176.199 176.600 -0.037 0.000 1.038 180 K CA 0.203 56.478 56.287 -0.021 0.000 0.986 180 K CB -0.035 32.455 32.500 -0.017 0.000 0.782 180 K HN 0.335 nan 8.250 nan 0.000 0.485 181 L N 0.182 121.375 121.223 -0.048 0.000 2.356 181 L HA 0.291 4.632 4.340 0.002 0.000 0.264 181 L C 0.293 177.161 176.870 -0.004 0.000 1.029 181 L CA -0.132 54.667 54.840 -0.068 0.000 0.897 181 L CB 1.001 42.970 42.059 -0.150 0.000 1.256 181 L HN -0.065 nan 8.230 nan 0.000 0.444 182 A N 2.237 125.075 122.820 0.030 0.000 1.924 182 A HA 0.056 4.377 4.320 0.002 0.000 0.211 182 A C 1.498 179.117 177.584 0.059 0.000 1.198 182 A CA 0.878 52.931 52.037 0.028 0.000 0.657 182 A CB -0.202 18.806 19.000 0.014 0.000 0.852 182 A HN 0.727 nan 8.150 nan 0.000 0.454 183 D N -1.172 119.302 120.400 0.122 0.000 2.309 183 D HA -0.150 4.491 4.640 0.002 0.000 0.212 183 D C 1.154 177.495 176.300 0.068 0.000 0.968 183 D CA 1.142 55.198 54.000 0.093 0.000 0.882 183 D CB -0.397 40.472 40.800 0.114 0.000 0.918 183 D HN 0.539 nan 8.370 nan 0.000 0.503 184 Y N 0.112 120.368 120.300 -0.074 0.000 2.464 184 Y HA 0.388 4.939 4.550 0.001 0.000 0.288 184 Y C 1.236 177.040 175.900 -0.160 0.000 1.133 184 Y CA -0.285 57.758 58.100 -0.096 0.000 1.223 184 Y CB 0.564 38.982 38.460 -0.071 0.000 1.187 184 Y HN -0.136 nan 8.280 nan 0.000 0.539 185 I N -0.195 120.376 120.570 0.002 0.000 2.740 185 I HA 0.465 4.636 4.170 0.002 0.000 0.303 185 I C -1.278 174.756 176.117 -0.138 0.000 1.044 185 I CA -1.117 60.076 61.300 -0.178 0.000 1.064 185 I CB 2.614 40.450 38.000 -0.275 0.000 1.249 185 I HN -0.454 nan 8.210 nan 0.000 0.433 186 V N 3.600 123.408 119.914 -0.177 0.000 2.483 186 V HA 0.519 4.639 4.120 0.002 0.000 0.297 186 V C 0.035 176.070 176.094 -0.100 0.000 1.027 186 V CA -0.754 61.481 62.300 -0.109 0.000 0.855 186 V CB 1.657 33.428 31.823 -0.086 0.000 0.995 186 V HN 0.811 nan 8.190 nan 0.000 0.424 187 A N 3.442 126.225 122.820 -0.063 0.000 2.376 187 A HA 0.612 4.933 4.320 0.002 0.000 0.298 187 A C 0.418 177.994 177.584 -0.013 0.000 1.271 187 A CA 0.031 52.045 52.037 -0.038 0.000 0.926 187 A CB 0.307 19.292 19.000 -0.025 0.000 1.141 187 A HN 0.905 nan 8.150 nan 0.000 0.539 188 S N 3.897 119.603 115.700 0.009 0.000 2.437 188 S HA 0.540 5.011 4.470 0.002 0.000 0.305 188 S C -1.650 172.978 174.600 0.046 0.000 1.109 188 S CA -1.509 56.720 58.200 0.048 0.000 1.099 188 S CB 1.069 64.329 63.200 0.099 0.000 1.004 188 S HN 0.370 nan 8.310 nan 0.000 0.475 189 P HA -0.245 nan 4.420 nan 0.000 0.225 189 P C 0.991 178.237 177.300 -0.089 0.000 1.154 189 P CA 1.672 64.724 63.100 -0.079 0.000 0.885 189 P CB -0.129 31.474 31.700 -0.162 0.000 0.785 190 H N -1.540 117.541 119.070 0.018 0.000 2.489 190 H HA 0.125 4.682 4.556 0.001 0.000 0.293 190 H C 1.457 176.802 175.328 0.029 0.000 1.066 190 H CA 1.578 57.641 56.048 0.025 0.000 1.305 190 H CB -0.256 29.520 29.762 0.023 0.000 1.386 190 H HN 0.237 nan 8.280 nan 0.000 0.551 191 G N -0.634 108.246 108.800 0.134 0.000 2.369 191 G HA2 0.047 4.007 3.960 0.002 0.000 0.307 191 G HA3 0.047 4.007 3.960 0.002 0.000 0.307 191 G C -1.192 173.748 174.900 0.067 0.000 1.327 191 G CA -0.873 44.282 45.100 0.092 0.000 0.963 191 G HN 0.075 nan 8.290 nan 0.000 0.590 192 L N 0.267 121.525 121.223 0.058 0.000 2.439 192 L HA 0.588 4.928 4.340 0.002 0.000 0.269 192 L C 1.025 177.869 176.870 -0.043 0.000 1.179 192 L CA -0.148 54.678 54.840 -0.024 0.000 0.828 192 L CB 0.975 43.015 42.059 -0.031 0.000 1.106 192 L HN 0.651 nan 8.230 nan 0.000 0.467 193 R N 1.600 121.993 120.500 -0.177 0.000 2.837 193 R HA 0.396 4.737 4.340 0.002 0.000 0.271 193 R C -0.663 175.453 176.300 -0.307 0.000 0.993 193 R CA -1.013 55.004 56.100 -0.138 0.000 0.931 193 R CB 1.787 32.055 30.300 -0.053 0.000 1.206 193 R HN 0.455 nan 8.270 nan 0.000 0.474 194 R N 2.418 122.810 120.500 -0.180 0.000 2.491 194 R HA 0.036 4.377 4.340 0.002 0.000 0.283 194 R C 0.680 176.864 176.300 -0.193 0.000 1.072 194 R CA 0.424 56.386 56.100 -0.229 0.000 1.048 194 R CB 1.100 31.259 30.300 -0.234 0.000 0.983 194 R HN 0.705 nan 8.270 nan 0.000 0.450 195 K N 2.645 122.931 120.400 -0.189 0.000 2.021 195 K HA -0.007 4.314 4.320 0.002 0.000 0.205 195 K C -0.170 176.351 176.600 -0.132 0.000 1.047 195 K CA 0.934 57.137 56.287 -0.140 0.000 0.943 195 K CB 0.234 32.660 32.500 -0.123 0.000 0.725 195 K HN 0.473 nan 8.250 nan 0.000 0.439 196 N N 0.947 119.550 118.700 -0.162 0.000 2.392 196 N HA 0.197 4.938 4.740 0.002 0.000 0.283 196 N C -0.886 174.525 175.510 -0.165 0.000 1.003 196 N CA -0.146 52.821 53.050 -0.138 0.000 0.892 196 N CB 1.804 40.207 38.487 -0.139 0.000 1.193 196 N HN 0.204 nan 8.380 nan 0.000 0.487 197 A N 2.150 124.907 122.820 -0.105 0.000 2.614 197 A HA -0.054 4.267 4.320 0.002 0.000 0.231 197 A C -0.438 177.098 177.584 -0.080 0.000 1.076 197 A CA 0.482 52.476 52.037 -0.073 0.000 0.767 197 A CB -0.345 18.658 19.000 0.006 0.000 1.012 197 A HN 0.583 nan 8.150 nan 0.000 0.512 198 Y N 1.689 121.993 120.300 0.007 0.000 2.425 198 Y HA 0.268 4.819 4.550 0.001 0.000 0.331 198 Y C -1.281 174.617 175.900 -0.002 0.000 1.157 198 Y CA -1.279 56.825 58.100 0.007 0.000 1.372 198 Y CB 0.175 38.642 38.460 0.012 0.000 1.253 198 Y HN 0.501 nan 8.280 nan 0.000 0.536 199 P HA -0.088 nan 4.420 nan 0.000 0.264 199 P C 0.568 177.916 177.300 0.080 0.000 1.183 199 P CA 0.328 63.474 63.100 0.077 0.000 0.763 199 P CB 1.438 33.171 31.700 0.054 0.000 0.807 200 S N 2.811 118.542 115.700 0.052 0.000 2.378 200 S HA -0.263 4.208 4.470 0.002 0.000 0.229 200 S C 1.529 176.143 174.600 0.024 0.000 1.052 200 S CA 2.239 60.461 58.200 0.037 0.000 1.084 200 S CB -0.596 62.618 63.200 0.022 0.000 0.950 200 S HN 0.567 nan 8.310 nan 0.000 0.440 201 E N 1.027 121.239 120.200 0.020 0.000 2.164 201 E HA -0.217 4.134 4.350 0.002 0.000 0.206 201 E C 1.838 178.441 176.600 0.005 0.000 1.032 201 E CA 1.784 58.191 56.400 0.011 0.000 0.832 201 E CB -0.472 29.236 29.700 0.013 0.000 0.742 201 E HN 0.608 nan 8.360 nan 0.000 0.460 202 I N 0.099 120.676 120.570 0.012 0.000 2.179 202 I HA -0.243 3.928 4.170 0.002 0.000 0.242 202 I C 2.121 178.211 176.117 -0.045 0.000 1.088 202 I CA 0.902 62.197 61.300 -0.009 0.000 1.357 202 I CB -0.298 37.707 38.000 0.008 0.000 1.051 202 I HN 0.023 nan 8.210 nan 0.000 0.409 203 V N 0.887 120.775 119.914 -0.044 0.000 2.469 203 V HA -0.267 3.854 4.120 0.002 0.000 0.251 203 V C 2.242 178.309 176.094 -0.045 0.000 1.064 203 V CA 1.859 64.120 62.300 -0.065 0.000 1.066 203 V CB -0.763 31.037 31.823 -0.039 0.000 0.667 203 V HN 0.442 nan 8.190 nan 0.000 0.461 204 E N 0.491 120.675 120.200 -0.028 0.000 2.107 204 E HA -0.086 4.265 4.350 0.002 0.000 0.191 204 E C 2.297 178.878 176.600 -0.032 0.000 0.982 204 E CA 1.223 57.607 56.400 -0.026 0.000 0.809 204 E CB -0.425 29.264 29.700 -0.017 0.000 0.756 204 E HN 0.599 nan 8.360 nan 0.000 0.459 205 A N 0.897 123.700 122.820 -0.028 0.000 1.930 205 A HA -0.129 4.192 4.320 0.002 0.000 0.217 205 A C 2.138 179.708 177.584 -0.024 0.000 1.175 205 A CA 0.949 52.972 52.037 -0.023 0.000 0.627 205 A CB -0.558 18.436 19.000 -0.011 0.000 0.815 205 A HN 0.151 nan 8.150 nan 0.000 0.443 206 L N -0.721 120.482 121.223 -0.033 0.000 2.083 206 L HA -0.168 4.172 4.340 0.002 0.000 0.209 206 L C 2.923 179.776 176.870 -0.027 0.000 1.083 206 L CA 0.912 55.737 54.840 -0.025 0.000 0.752 206 L CB -0.656 41.361 42.059 -0.069 0.000 0.899 206 L HN 0.418 nan 8.230 nan 0.000 0.433 207 A N -0.486 122.307 122.820 -0.044 0.000 2.245 207 A HA -0.191 4.130 4.320 0.002 0.000 0.217 207 A C 2.187 179.725 177.584 -0.076 0.000 1.171 207 A CA 2.066 54.074 52.037 -0.048 0.000 0.688 207 A CB -0.763 18.211 19.000 -0.042 0.000 0.781 207 A HN 0.433 nan 8.150 nan 0.000 0.479 208 T N -0.869 113.610 114.554 -0.125 0.000 3.054 208 T HA 0.068 4.419 4.350 0.002 0.000 0.259 208 T C 0.327 174.785 174.700 -0.403 0.000 1.092 208 T CA 0.423 62.371 62.100 -0.254 0.000 1.121 208 T CB -0.111 68.570 68.868 -0.313 0.000 0.912 208 T HN 0.581 nan 8.240 nan 0.000 0.489 209 H N 0.845 119.898 119.070 -0.028 0.000 2.638 209 H HA 0.641 5.198 4.556 0.001 0.000 0.317 209 H C -0.701 174.609 175.328 -0.030 0.000 1.006 209 H CA -0.332 55.700 56.048 -0.027 0.000 1.222 209 H CB 1.118 30.861 29.762 -0.032 0.000 1.419 209 H HN 0.000 nan 8.280 nan 0.000 0.489 210 V N 1.460 121.411 119.914 0.062 0.000 3.167 210 V HA 0.243 4.364 4.120 0.002 0.000 0.310 210 V C 0.368 176.487 176.094 0.042 0.000 1.207 210 V CA -1.091 61.228 62.300 0.031 0.000 1.059 210 V CB 2.106 33.932 31.823 0.005 0.000 1.079 210 V HN 0.856 nan 8.190 nan 0.000 0.446 211 S N -0.202 115.521 115.700 0.039 0.000 2.580 211 S HA 0.027 4.498 4.470 0.002 0.000 0.266 211 S C 0.638 175.269 174.600 0.051 0.000 1.354 211 S CA 0.516 58.748 58.200 0.055 0.000 1.008 211 S CB 0.603 63.842 63.200 0.064 0.000 0.898 211 S HN 0.861 nan 8.310 nan 0.000 0.555 212 D N 0.257 120.692 120.400 0.060 0.000 2.144 212 D HA 0.040 4.681 4.640 0.002 0.000 0.207 212 D C 0.361 176.697 176.300 0.059 0.000 0.970 212 D CA 0.971 55.004 54.000 0.054 0.000 0.853 212 D CB 0.188 41.020 40.800 0.053 0.000 1.007 212 D HN 0.521 nan 8.370 nan 0.000 0.469 213 S N -0.209 115.535 115.700 0.073 0.000 2.605 213 S HA 0.458 4.929 4.470 0.002 0.000 0.308 213 S C -0.450 174.204 174.600 0.089 0.000 1.113 213 S CA -0.675 57.583 58.200 0.095 0.000 1.049 213 S CB 0.676 63.941 63.200 0.109 0.000 1.001 213 S HN 0.141 nan 8.310 nan 0.000 0.480 214 L N 6.904 128.165 121.223 0.063 0.000 2.598 214 L HA 0.482 4.823 4.340 0.002 0.000 0.241 214 L C 0.137 176.919 176.870 -0.147 0.000 1.244 214 L CA -0.118 54.707 54.840 -0.026 0.000 1.198 214 L CB -0.455 41.562 42.059 -0.069 0.000 1.448 214 L HN 0.631 nan 8.230 nan 0.000 0.406 215 H N -0.683 118.403 119.070 0.028 0.000 2.933 215 H HA 0.276 4.832 4.556 0.002 0.000 0.310 215 H C -0.438 174.907 175.328 0.029 0.000 1.351 215 H CA -0.726 55.336 56.048 0.024 0.000 1.137 215 H CB 2.202 31.977 29.762 0.023 0.000 1.853 215 H HN 0.197 nan 8.280 nan 0.000 0.539 216 S N 1.533 117.363 115.700 0.217 0.000 2.488 216 S HA 0.403 4.874 4.470 0.002 0.000 0.278 216 S C 0.192 174.855 174.600 0.105 0.000 1.259 216 S CA -0.566 57.714 58.200 0.133 0.000 1.061 216 S CB 0.491 63.762 63.200 0.119 0.000 0.910 216 S HN 0.337 nan 8.310 nan 0.000 0.491 217 R N 1.970 122.510 120.500 0.066 0.000 2.494 217 R HA 0.364 4.705 4.340 0.002 0.000 0.305 217 R C -0.645 175.618 176.300 -0.063 0.000 0.959 217 R CA -0.488 55.612 56.100 0.001 0.000 0.864 217 R CB 1.706 31.981 30.300 -0.041 0.000 1.159 217 R HN 0.721 nan 8.270 nan 0.000 0.446 218 E N 2.448 122.600 120.200 -0.080 0.000 2.113 218 E HA 0.273 4.624 4.350 0.002 0.000 0.273 218 E C -0.782 175.659 176.600 -0.264 0.000 0.924 218 E CA -0.612 55.687 56.400 -0.169 0.000 0.764 218 E CB 2.238 31.898 29.700 -0.067 0.000 1.104 218 E HN 0.148 nan 8.360 nan 0.000 0.406 219 V N 1.934 121.624 119.914 -0.374 0.000 2.547 219 V HA 0.492 4.613 4.120 0.002 0.000 0.299 219 V C 0.040 175.997 176.094 -0.229 0.000 1.040 219 V CA -0.876 61.210 62.300 -0.355 0.000 0.913 219 V CB 1.666 33.187 31.823 -0.503 0.000 0.992 219 V HN 0.762 nan 8.190 nan 0.000 0.449 220 A N 3.560 126.309 122.820 -0.120 0.000 2.269 220 A HA 0.852 5.173 4.320 0.002 0.000 0.302 220 A C 0.191 177.748 177.584 -0.045 0.000 1.266 220 A CA 0.117 52.107 52.037 -0.077 0.000 0.894 220 A CB 0.327 19.311 19.000 -0.026 0.000 1.147 220 A HN 1.328 nan 8.150 nan 0.000 0.537 221 A N 2.148 124.940 122.820 -0.047 0.000 2.437 221 A HA 0.826 5.147 4.320 0.002 0.000 0.292 221 A C -0.880 176.718 177.584 0.024 0.000 1.173 221 A CA -0.550 51.485 52.037 -0.003 0.000 0.785 221 A CB 1.326 20.320 19.000 -0.011 0.000 1.351 221 A HN 1.060 nan 8.150 nan 0.000 0.431 222 V N 0.364 120.304 119.914 0.043 0.000 2.540 222 V HA 0.311 4.432 4.120 0.002 0.000 0.302 222 V C -1.312 174.813 176.094 0.051 0.000 1.035 222 V CA -0.378 61.943 62.300 0.035 0.000 0.873 222 V CB 1.493 33.309 31.823 -0.011 0.000 0.992 222 V HN 0.754 nan 8.190 nan 0.000 0.428 223 Y N 5.583 125.841 120.300 -0.070 0.000 2.477 223 Y HA 0.543 5.094 4.550 0.002 0.000 0.349 223 Y C 0.038 175.866 175.900 -0.120 0.000 0.977 223 Y CA -0.625 57.436 58.100 -0.065 0.000 1.214 223 Y CB 0.574 39.015 38.460 -0.032 0.000 1.124 223 Y HN 0.516 nan 8.280 nan 0.000 0.521 224 I N 9.666 129.943 120.570 -0.489 0.000 2.365 224 I HA 0.306 4.477 4.170 0.002 0.000 0.291 224 I C -2.195 173.532 176.117 -0.650 0.000 1.004 224 I CA -1.930 59.076 61.300 -0.489 0.000 1.311 224 I CB 1.402 39.164 38.000 -0.396 0.000 1.401 224 I HN 0.483 nan 8.210 nan 0.000 0.491 225 P HA 0.185 nan 4.420 nan 0.000 0.292 225 P C 0.255 177.471 177.300 -0.139 0.000 1.300 225 P CA -0.667 62.268 63.100 -0.274 0.000 0.900 225 P CB 1.974 33.641 31.700 -0.054 0.000 1.139 226 C N 2.852 122.103 119.300 -0.080 0.000 2.413 226 C HA -0.036 4.425 4.460 0.002 0.000 0.278 226 C C 1.361 176.346 174.990 -0.008 0.000 1.224 226 C CA 0.530 59.530 59.018 -0.030 0.000 1.732 226 C CB -1.240 26.503 27.740 0.005 0.000 2.050 226 C HN 0.440 nan 8.230 nan 0.000 0.463 227 I N 2.652 123.228 120.570 0.008 0.000 2.452 227 I HA 0.078 4.249 4.170 0.002 0.000 0.287 227 I C 0.832 176.960 176.117 0.018 0.000 1.079 227 I CA 0.050 61.360 61.300 0.017 0.000 1.387 227 I CB 0.447 38.463 38.000 0.026 0.000 1.404 227 I HN 0.391 nan 8.210 nan 0.000 0.522 228 D N 4.796 125.206 120.400 0.016 0.000 2.311 228 D HA -0.167 4.474 4.640 0.002 0.000 0.212 228 D C 1.407 177.729 176.300 0.037 0.000 0.972 228 D CA 1.251 55.265 54.000 0.023 0.000 0.887 228 D CB 0.110 40.919 40.800 0.015 0.000 0.915 228 D HN 0.645 nan 8.370 nan 0.000 0.497 229 E N 0.574 120.795 120.200 0.035 0.000 2.299 229 E HA -0.015 4.336 4.350 0.002 0.000 0.193 229 E C 0.317 176.948 176.600 0.052 0.000 0.998 229 E CA 0.227 56.651 56.400 0.041 0.000 0.851 229 E CB 0.223 29.943 29.700 0.034 0.000 0.795 229 E HN 0.440 nan 8.360 nan 0.000 0.492 230 E N 1.152 121.383 120.200 0.053 0.000 2.366 230 E HA 0.160 4.511 4.350 0.002 0.000 0.266 230 E C -0.595 176.053 176.600 0.079 0.000 1.051 230 E CA -0.375 56.064 56.400 0.065 0.000 0.884 230 E CB 1.761 31.502 29.700 0.068 0.000 1.006 230 E HN -0.148 nan 8.360 nan 0.000 0.417 231 V N 2.915 122.885 119.914 0.094 0.000 2.649 231 V HA 0.049 4.170 4.120 0.002 0.000 0.292 231 V C 0.335 176.501 176.094 0.120 0.000 1.055 231 V CA -0.621 61.751 62.300 0.119 0.000 1.023 231 V CB 1.307 33.200 31.823 0.116 0.000 0.992 231 V HN 0.419 nan 8.190 nan 0.000 0.480 232 V N 4.577 124.572 119.914 0.134 0.000 2.715 232 V HA 0.226 4.347 4.120 0.002 0.000 0.299 232 V C 0.304 176.473 176.094 0.125 0.000 1.054 232 V CA -0.048 62.291 62.300 0.066 0.000 1.077 232 V CB 0.777 32.570 31.823 -0.049 0.000 0.972 232 V HN 0.973 nan 8.190 nan 0.000 0.484 233 E N 2.020 122.293 120.200 0.121 0.000 2.392 233 E HA 0.488 4.839 4.350 0.002 0.000 0.269 233 E C -1.327 175.335 176.600 0.103 0.000 0.924 233 E CA -1.159 55.314 56.400 0.121 0.000 0.784 233 E CB 2.575 32.343 29.700 0.114 0.000 1.292 233 E HN 0.462 nan 8.360 nan 0.000 0.447 234 L N 2.113 123.384 121.223 0.079 0.000 2.278 234 L HA 0.259 4.600 4.340 0.002 0.000 0.287 234 L C -0.888 175.999 176.870 0.027 0.000 1.072 234 L CA 0.261 55.134 54.840 0.056 0.000 0.819 234 L CB 0.308 42.396 42.059 0.049 0.000 1.176 234 L HN 0.336 nan 8.230 nan 0.000 0.435 235 D N 2.755 123.166 120.400 0.018 0.000 2.192 235 D HA 0.399 5.040 4.640 0.002 0.000 0.246 235 D C -0.861 175.382 176.300 -0.096 0.000 1.042 235 D CA -0.180 53.804 54.000 -0.026 0.000 0.847 235 D CB 1.701 42.507 40.800 0.011 0.000 1.186 235 D HN 0.498 nan 8.370 nan 0.000 0.461 236 T N 3.134 117.581 114.554 -0.179 0.000 2.767 236 T HA 0.403 4.754 4.350 0.002 0.000 0.284 236 T C 0.371 174.718 174.700 -0.589 0.000 0.973 236 T CA -0.579 61.296 62.100 -0.375 0.000 0.996 236 T CB 0.563 69.149 68.868 -0.470 0.000 0.927 236 T HN 0.126 nan 8.240 nan 0.000 0.456 237 L N 3.677 124.613 121.223 -0.479 0.000 2.305 237 L HA 0.414 4.755 4.340 0.002 0.000 0.281 237 L C -0.724 175.825 176.870 -0.535 0.000 1.085 237 L CA -0.803 53.797 54.840 -0.400 0.000 0.813 237 L CB 0.395 42.305 42.059 -0.248 0.000 1.157 237 L HN 0.668 nan 8.230 nan 0.000 0.436 238 Y N 3.950 124.202 120.300 -0.080 0.000 2.417 238 Y HA 0.494 5.045 4.550 0.002 0.000 0.336 238 Y C 0.197 176.053 175.900 -0.072 0.000 0.961 238 Y CA -0.689 57.367 58.100 -0.073 0.000 1.215 238 Y CB 0.877 39.310 38.460 -0.045 0.000 1.120 238 Y HN 0.351 nan 8.280 nan 0.000 0.499 239 I N 1.691 122.266 120.570 0.009 0.000 2.412 239 I HA 0.651 4.822 4.170 0.002 0.000 0.296 239 I C -0.230 175.904 176.117 0.028 0.000 0.987 239 I CA -0.597 60.698 61.300 -0.009 0.000 1.180 239 I CB 1.778 39.720 38.000 -0.096 0.000 1.340 239 I HN 0.379 nan 8.210 nan 0.000 0.455 240 S N 1.643 117.371 115.700 0.046 0.000 2.599 240 S HA 0.247 4.718 4.470 0.002 0.000 0.287 240 S C 0.808 175.450 174.600 0.069 0.000 1.105 240 S CA -0.567 57.664 58.200 0.053 0.000 0.899 240 S CB 2.026 65.253 63.200 0.044 0.000 1.100 240 S HN 0.830 nan 8.310 nan 0.000 0.482 241 S N 1.827 117.566 115.700 0.066 0.000 2.423 241 S HA -0.173 4.298 4.470 0.002 0.000 0.231 241 S C 1.458 176.108 174.600 0.084 0.000 1.014 241 S CA 1.540 59.791 58.200 0.085 0.000 0.965 241 S CB -0.647 62.590 63.200 0.063 0.000 0.785 241 S HN 0.789 nan 8.310 nan 0.000 0.495 242 N N 1.926 120.661 118.700 0.059 0.000 2.331 242 N HA -0.104 4.637 4.740 0.002 0.000 0.180 242 N C 0.701 176.256 175.510 0.074 0.000 1.019 242 N CA 0.684 53.766 53.050 0.053 0.000 0.881 242 N CB -0.468 38.036 38.487 0.028 0.000 0.972 242 N HN 0.532 nan 8.380 nan 0.000 0.435 243 R N 0.209 120.762 120.500 0.087 0.000 2.310 243 R HA 0.135 4.476 4.340 0.002 0.000 0.324 243 R C -0.988 175.401 176.300 0.148 0.000 0.955 243 R CA -0.717 55.443 56.100 0.101 0.000 0.830 243 R CB 0.351 30.692 30.300 0.069 0.000 1.154 243 R HN 0.207 nan 8.270 nan 0.000 0.458 244 H N 3.453 122.570 119.070 0.078 0.000 3.064 244 H HA -0.158 4.399 4.556 0.002 0.000 0.329 244 H C 0.589 175.963 175.328 0.076 0.000 1.020 244 H CA 0.826 56.937 56.048 0.105 0.000 1.402 244 H CB 0.559 30.360 29.762 0.065 0.000 1.379 244 H HN 0.666 nan 8.280 nan 0.000 0.594 245 Y N 3.173 123.155 120.300 -0.528 0.000 2.556 245 Y HA -0.104 4.447 4.550 0.001 0.000 0.290 245 Y C 1.224 176.851 175.900 -0.455 0.000 1.149 245 Y CA 1.149 58.976 58.100 -0.456 0.000 1.329 245 Y CB -0.404 37.780 38.460 -0.460 0.000 0.975 245 Y HN 0.568 nan 8.280 nan 0.000 0.561 246 L N -0.165 120.403 121.223 -1.091 0.000 2.416 246 L HA -0.042 4.299 4.340 0.002 0.000 0.216 246 L C 1.859 178.618 176.870 -0.185 0.000 1.098 246 L CA 0.505 54.978 54.840 -0.611 0.000 0.840 246 L CB -0.261 41.614 42.059 -0.307 0.000 0.981 246 L HN 0.194 nan 8.230 nan 0.000 0.462 247 D N -0.151 120.208 120.400 -0.070 0.000 2.078 247 D HA -0.176 4.465 4.640 0.002 0.000 0.193 247 D C 2.277 178.573 176.300 -0.007 0.000 0.990 247 D CA 1.922 55.933 54.000 0.019 0.000 0.827 247 D CB -0.095 40.748 40.800 0.072 0.000 0.975 247 D HN 0.315 nan 8.370 nan 0.000 0.451 248 S N 1.164 116.851 115.700 -0.022 0.000 2.365 248 S HA -0.182 4.289 4.470 0.002 0.000 0.225 248 S C 2.367 176.952 174.600 -0.025 0.000 1.039 248 S CA 0.816 59.014 58.200 -0.004 0.000 1.033 248 S CB -0.912 62.290 63.200 0.003 0.000 0.887 248 S HN 0.269 nan 8.310 nan 0.000 0.447 249 I N 2.628 123.149 120.570 -0.082 0.000 2.194 249 I HA -0.271 3.900 4.170 0.002 0.000 0.246 249 I C 3.075 179.188 176.117 -0.008 0.000 1.093 249 I CA 1.391 62.641 61.300 -0.083 0.000 1.355 249 I CB -0.784 37.092 38.000 -0.206 0.000 1.046 249 I HN 0.455 nan 8.210 nan 0.000 0.413 250 A N 0.294 123.113 122.820 -0.002 0.000 1.933 250 A HA -0.231 4.090 4.320 0.002 0.000 0.218 250 A C 2.187 179.800 177.584 0.048 0.000 1.175 250 A CA 1.759 53.820 52.037 0.041 0.000 0.628 250 A CB -0.529 18.496 19.000 0.043 0.000 0.814 250 A HN 0.487 nan 8.150 nan 0.000 0.444 251 E N -0.660 119.562 120.200 0.035 0.000 2.047 251 E HA -0.120 4.231 4.350 0.002 0.000 0.191 251 E C 1.881 178.499 176.600 0.030 0.000 0.987 251 E CA 0.718 57.139 56.400 0.036 0.000 0.799 251 E CB -0.147 29.575 29.700 0.038 0.000 0.752 251 E HN 0.297 nan 8.360 nan 0.000 0.449 252 R N 0.438 120.954 120.500 0.026 0.000 2.339 252 R HA -0.017 4.324 4.340 0.002 0.000 0.199 252 R C 1.752 178.068 176.300 0.027 0.000 1.018 252 R CA 0.374 56.476 56.100 0.003 0.000 1.036 252 R CB -0.093 30.202 30.300 -0.008 0.000 0.899 252 R HN 0.175 nan 8.270 nan 0.000 0.473 253 L N -1.326 119.950 121.223 0.087 0.000 2.537 253 L HA 0.321 4.661 4.340 0.002 0.000 0.224 253 L C 0.937 177.899 176.870 0.153 0.000 1.065 253 L CA 1.440 56.394 54.840 0.190 0.000 0.860 253 L CB 0.569 42.734 42.059 0.177 0.000 1.086 253 L HN 0.305 nan 8.230 nan 0.000 0.482 254 G N -0.565 108.287 108.800 0.088 0.000 2.151 254 G HA2 -0.117 3.843 3.960 0.002 0.000 0.140 254 G HA3 -0.117 3.843 3.960 0.002 0.000 0.140 254 G C -0.037 174.901 174.900 0.063 0.000 1.020 254 G CA 0.132 45.275 45.100 0.071 0.000 0.688 254 G HN 0.235 nan 8.290 nan 0.000 0.500 255 L N -1.008 120.253 121.223 0.062 0.000 2.464 255 L HA 0.668 5.009 4.340 0.002 0.000 0.264 255 L C 1.590 178.486 176.870 0.043 0.000 1.062 255 L CA -0.757 54.115 54.840 0.053 0.000 0.935 255 L CB 0.957 43.053 42.059 0.062 0.000 1.603 255 L HN 0.016 nan 8.230 nan 0.000 0.528 256 K N -0.996 119.427 120.400 0.038 0.000 2.367 256 K HA 0.115 4.436 4.320 0.002 0.000 0.195 256 K C -0.510 176.120 176.600 0.051 0.000 1.060 256 K CA 0.229 56.538 56.287 0.037 0.000 1.022 256 K CB 0.767 33.280 32.500 0.022 0.000 0.894 256 K HN 0.513 nan 8.250 nan 0.000 0.540 257 D N -1.922 118.510 120.400 0.052 0.000 2.736 257 D HA 0.167 4.807 4.640 0.002 0.000 0.223 257 D C 0.228 176.572 176.300 0.074 0.000 1.231 257 D CA -0.290 53.755 54.000 0.075 0.000 0.818 257 D CB 2.045 42.892 40.800 0.079 0.000 1.587 257 D HN 0.089 nan 8.370 nan 0.000 0.463 258 G N 1.623 110.475 108.800 0.086 0.000 2.559 258 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 258 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 258 G C 1.165 176.119 174.900 0.090 0.000 1.126 258 G CA 0.388 45.536 45.100 0.081 0.000 0.778 258 G HN 0.502 nan 8.290 nan 0.000 0.543 259 N N 0.427 119.180 118.700 0.088 0.000 2.573 259 N HA -0.053 4.687 4.740 0.002 0.000 0.187 259 N C 2.055 177.614 175.510 0.081 0.000 1.107 259 N CA 0.728 53.826 53.050 0.081 0.000 0.918 259 N CB -0.073 38.457 38.487 0.072 0.000 0.966 259 N HN 0.472 nan 8.380 nan 0.000 0.448 260 Q N -0.988 118.862 119.800 0.083 0.000 2.356 260 Q HA 0.184 4.525 4.340 0.002 0.000 0.205 260 Q C -0.178 175.898 176.000 0.126 0.000 0.901 260 Q CA -0.027 55.834 55.803 0.096 0.000 0.938 260 Q CB 0.999 29.783 28.738 0.078 0.000 1.081 260 Q HN 0.117 nan 8.270 nan 0.000 0.517 261 V N 1.650 121.638 119.914 0.122 0.000 2.732 261 V HA 0.170 4.291 4.120 0.002 0.000 0.297 261 V C -0.162 176.021 176.094 0.149 0.000 1.060 261 V CA -0.369 62.021 62.300 0.150 0.000 1.038 261 V CB 1.101 33.013 31.823 0.149 0.000 1.003 261 V HN 0.214 nan 8.190 nan 0.000 0.481 262 M N 5.058 124.740 119.600 0.136 0.000 2.294 262 M HA 0.579 5.060 4.480 0.002 0.000 0.335 262 M C -0.905 175.376 176.300 -0.031 0.000 1.079 262 M CA -0.343 54.962 55.300 0.009 0.000 0.982 262 M CB 1.272 33.786 32.600 -0.143 0.000 1.651 262 M HN 0.482 nan 8.290 nan 0.000 0.437 263 I N 3.874 124.399 120.570 -0.076 0.000 2.312 263 I HA 0.327 4.498 4.170 0.002 0.000 0.290 263 I C 0.245 176.246 176.117 -0.194 0.000 1.008 263 I CA -0.602 60.597 61.300 -0.168 0.000 1.226 263 I CB 1.052 39.035 38.000 -0.029 0.000 1.371 263 I HN 0.821 nan 8.210 nan 0.000 0.468 264 S N 5.943 121.508 115.700 -0.224 0.000 2.624 264 S HA 0.444 4.915 4.470 0.002 0.000 0.263 264 S C 0.248 174.815 174.600 -0.054 0.000 1.287 264 S CA -0.928 57.197 58.200 -0.125 0.000 0.990 264 S CB 0.837 64.002 63.200 -0.057 0.000 0.950 264 S HN 0.710 nan 8.310 nan 0.000 0.561 265 R N 0.607 121.110 120.500 0.005 0.000 2.811 265 R HA 0.310 4.651 4.340 0.002 0.000 0.265 265 R C 0.408 176.789 176.300 0.136 0.000 1.026 265 R CA -0.276 55.855 56.100 0.051 0.000 1.142 265 R CB -0.198 30.129 30.300 0.045 0.000 1.027 265 R HN 0.820 nan 8.270 nan 0.000 0.465 266 M N 1.744 121.385 119.600 0.068 0.000 2.249 266 M HA 0.554 5.035 4.480 0.002 0.000 0.351 266 M C -1.148 175.180 176.300 0.046 0.000 1.180 266 M CA -0.492 54.786 55.300 -0.036 0.000 1.127 266 M CB 0.897 33.459 32.600 -0.064 0.000 1.546 266 M HN 0.733 nan 8.290 nan 0.000 0.461 267 F N -0.534 119.398 119.950 -0.030 0.000 2.741 267 F HA 0.845 5.373 4.527 0.001 0.000 0.313 267 F C 0.211 175.997 175.800 -0.024 0.000 1.153 267 F CA -0.269 57.712 58.000 -0.032 0.000 0.931 267 F CB 0.943 39.904 39.000 -0.066 0.000 1.335 267 F HN 0.866 nan 8.300 nan 0.000 0.460 268 G N 0.666 109.531 108.800 0.108 0.000 2.218 268 G HA2 -0.310 3.651 3.960 0.002 0.000 0.216 268 G HA3 -0.310 3.651 3.960 0.002 0.000 0.216 268 G C 0.979 175.876 174.900 -0.006 0.000 0.994 268 G CA 0.275 45.405 45.100 0.049 0.000 0.637 268 G HN 1.065 nan 8.290 nan 0.000 0.505 269 K N 0.937 121.320 120.400 -0.029 0.000 2.034 269 K HA 0.006 4.327 4.320 0.002 0.000 0.214 269 K C 2.901 179.493 176.600 -0.012 0.000 1.051 269 K CA 2.666 58.936 56.287 -0.029 0.000 0.931 269 K CB -0.503 31.977 32.500 -0.033 0.000 0.715 269 K HN 0.849 nan 8.250 nan 0.000 0.446 270 A N 0.722 123.539 122.820 -0.004 0.000 1.859 270 A HA -0.279 4.042 4.320 0.002 0.000 0.218 270 A C 2.243 179.832 177.584 0.008 0.000 1.209 270 A CA 3.107 55.144 52.037 -0.001 0.000 0.639 270 A CB -1.244 17.757 19.000 0.002 0.000 0.835 270 A HN 0.636 nan 8.150 nan 0.000 0.450 271 S N -1.893 113.819 115.700 0.019 0.000 2.395 271 S HA -0.140 4.331 4.470 0.002 0.000 0.225 271 S C 2.049 176.667 174.600 0.030 0.000 1.027 271 S CA 1.207 59.423 58.200 0.026 0.000 0.965 271 S CB -1.111 62.109 63.200 0.033 0.000 0.812 271 S HN 0.892 nan 8.310 nan 0.000 0.482 272 C N 1.321 120.640 119.300 0.031 0.000 2.551 272 C HA 0.555 5.016 4.460 0.002 0.000 0.277 272 C C 2.153 177.150 174.990 0.012 0.000 1.349 272 C CA 0.566 59.603 59.018 0.031 0.000 1.750 272 C CB -0.990 26.771 27.740 0.035 0.000 2.058 272 C HN 0.962 nan 8.230 nan 0.000 0.518 273 G N 0.641 109.440 108.800 -0.002 0.000 2.157 273 G HA2 -0.147 3.813 3.960 0.002 0.000 0.248 273 G HA3 -0.147 3.813 3.960 0.002 0.000 0.248 273 G C 0.111 174.997 174.900 -0.022 0.000 0.979 273 G CA 0.446 45.539 45.100 -0.011 0.000 0.650 273 G HN 0.848 nan 8.290 nan 0.000 0.529 274 S N -0.036 115.646 115.700 -0.031 0.000 2.543 274 S HA 0.454 4.925 4.470 0.002 0.000 0.271 274 S C -0.533 174.017 174.600 -0.083 0.000 1.148 274 S CA -0.841 57.331 58.200 -0.047 0.000 0.914 274 S CB 1.691 64.872 63.200 -0.033 0.000 1.096 274 S HN 0.437 nan 8.310 nan 0.000 0.471 275 E N 1.302 121.447 120.200 -0.091 0.000 2.417 275 E HA 0.243 4.594 4.350 0.002 0.000 0.261 275 E C -0.613 175.859 176.600 -0.213 0.000 1.000 275 E CA 0.042 56.358 56.400 -0.139 0.000 0.919 275 E CB 0.242 29.890 29.700 -0.086 0.000 0.955 275 E HN 0.404 nan 8.360 nan 0.000 0.455 276 C N 2.938 121.976 119.300 -0.436 0.000 2.779 276 C HA 0.619 5.080 4.460 0.002 0.000 0.314 276 C C 0.019 174.580 174.990 -0.716 0.000 1.231 276 C CA -0.800 57.890 59.018 -0.547 0.000 1.652 276 C CB 1.303 28.645 27.740 -0.663 0.000 2.198 276 C HN 0.766 nan 8.230 nan 0.000 0.483 277 R N 0.585 120.833 120.500 -0.421 0.000 2.668 277 R HA 0.592 4.933 4.340 0.002 0.000 0.272 277 R C -1.860 174.270 176.300 -0.282 0.000 1.019 277 R CA -0.782 55.112 56.100 -0.343 0.000 0.894 277 R CB 1.811 31.870 30.300 -0.403 0.000 1.228 277 R HN 0.520 nan 8.270 nan 0.000 0.460 278 L N 3.177 124.310 121.223 -0.150 0.000 2.262 278 L HA 0.378 4.718 4.340 0.002 0.000 0.288 278 L C -1.370 175.364 176.870 -0.227 0.000 1.035 278 L CA -0.228 54.570 54.840 -0.071 0.000 0.820 278 L CB 0.386 42.487 42.059 0.070 0.000 1.204 278 L HN 0.469 nan 8.230 nan 0.000 0.424 279 Y N 3.658 123.992 120.300 0.057 0.000 2.452 279 Y HA 0.483 5.034 4.550 0.001 0.000 0.348 279 Y C 0.746 176.674 175.900 0.048 0.000 0.985 279 Y CA -0.212 57.918 58.100 0.051 0.000 1.214 279 Y CB 0.720 39.215 38.460 0.058 0.000 1.136 279 Y HN 0.653 nan 8.280 nan 0.000 0.523 280 S N 1.391 117.177 115.700 0.144 0.000 2.599 280 S HA 0.508 4.978 4.470 0.002 0.000 0.294 280 S C -0.825 173.885 174.600 0.183 0.000 1.094 280 S CA -1.394 56.890 58.200 0.140 0.000 0.931 280 S CB 1.532 64.797 63.200 0.107 0.000 1.093 280 S HN 0.643 nan 8.310 nan 0.000 0.488 281 E N 1.045 121.356 120.200 0.186 0.000 2.384 281 E HA 0.314 4.665 4.350 0.002 0.000 0.266 281 E C -0.805 175.957 176.600 0.270 0.000 1.012 281 E CA -0.367 56.148 56.400 0.190 0.000 0.901 281 E CB 0.219 30.003 29.700 0.139 0.000 0.967 281 E HN 0.600 nan 8.360 nan 0.000 0.435 282 I N 4.047 124.775 120.570 0.263 0.000 2.336 282 I HA 0.213 4.383 4.170 0.002 0.000 0.292 282 I C -1.898 174.283 176.117 0.107 0.000 0.991 282 I CA -2.804 58.699 61.300 0.338 0.000 1.227 282 I CB 1.324 39.553 38.000 0.382 0.000 1.366 282 I HN 0.455 nan 8.210 nan 0.000 0.466 283 P HA -0.024 nan 4.420 nan 0.000 0.261 283 P C -0.310 177.019 177.300 0.049 0.000 1.183 283 P CA -0.020 63.058 63.100 -0.037 0.000 0.761 283 P CB 0.415 32.057 31.700 -0.096 0.000 0.785 284 K N 2.358 122.765 120.400 0.013 0.000 2.687 284 K HA -0.060 4.261 4.320 0.002 0.000 0.197 284 K C 1.302 177.889 176.600 -0.020 0.000 1.018 284 K CA 0.438 56.730 56.287 0.008 0.000 1.035 284 K CB -0.009 32.485 32.500 -0.009 0.000 0.834 284 K HN 0.338 nan 8.250 nan 0.000 0.496 285 K N -0.496 119.883 120.400 -0.035 0.000 2.276 285 K HA 0.038 4.359 4.320 0.002 0.000 0.198 285 K C 1.281 177.745 176.600 -0.227 0.000 1.052 285 K CA 0.948 57.136 56.287 -0.165 0.000 0.984 285 K CB 0.181 32.513 32.500 -0.281 0.000 0.836 285 K HN 0.208 nan 8.250 nan 0.000 0.490 286 Y N 0.533 120.789 120.300 -0.072 0.000 2.500 286 Y HA 0.152 4.703 4.550 0.001 0.000 0.270 286 Y C 1.942 177.834 175.900 -0.014 0.000 1.134 286 Y CA 0.245 58.320 58.100 -0.042 0.000 1.293 286 Y CB 0.008 38.461 38.460 -0.011 0.000 1.063 286 Y HN -0.142 nan 8.280 nan 0.000 0.534 287 L N -0.958 120.342 121.223 0.129 0.000 2.265 287 L HA -0.015 4.326 4.340 0.002 0.000 0.195 287 L C 1.716 178.603 176.870 0.027 0.000 1.083 287 L CA 0.590 55.478 54.840 0.081 0.000 0.798 287 L CB -0.342 41.764 42.059 0.079 0.000 0.989 287 L HN 0.000 nan 8.230 nan 0.000 0.472 288 D N 0.411 120.813 120.400 0.004 0.000 2.084 288 D HA -0.174 4.467 4.640 0.002 0.000 0.194 288 D C 1.850 178.134 176.300 -0.026 0.000 0.990 288 D CA 1.013 55.003 54.000 -0.017 0.000 0.826 288 D CB -0.537 40.246 40.800 -0.028 0.000 0.971 288 D HN 0.185 nan 8.370 nan 0.000 0.453 289 N N 0.812 119.487 118.700 -0.041 0.000 2.073 289 N HA -0.154 4.587 4.740 0.002 0.000 0.199 289 N C 1.441 176.930 175.510 -0.034 0.000 1.023 289 N CA 1.919 54.940 53.050 -0.048 0.000 0.880 289 N CB -0.280 38.163 38.487 -0.074 0.000 1.052 289 N HN 0.219 nan 8.380 nan 0.000 0.449 290 S N -0.906 114.780 115.700 -0.024 0.000 2.582 290 S HA 0.218 4.688 4.470 0.002 0.000 0.234 290 S C 0.626 175.219 174.600 -0.011 0.000 0.961 290 S CA -0.617 57.574 58.200 -0.016 0.000 0.953 290 S CB 0.217 63.411 63.200 -0.011 0.000 0.800 290 S HN 0.319 nan 8.310 nan 0.000 0.471 305 V N 4.467 124.351 119.914 -0.050 0.000 2.421 305 V HA 0.121 4.242 4.120 0.002 0.000 0.271 305 V C 0.897 176.964 176.094 -0.045 0.000 1.031 305 V CA 0.208 62.460 62.300 -0.079 0.000 1.032 305 V CB 0.390 32.134 31.823 -0.132 0.000 1.009 305 V HN 0.416 nan 8.190 nan 0.000 0.477 306 K N 2.872 123.266 120.400 -0.011 0.000 2.120 306 K HA 0.313 4.634 4.320 0.002 0.000 0.245 306 K C 0.644 177.280 176.600 0.060 0.000 1.024 306 K CA -0.329 55.974 56.287 0.026 0.000 0.906 306 K CB 0.611 33.138 32.500 0.045 0.000 1.051 306 K HN 0.611 nan 8.250 nan 0.000 0.491 307 S N 0.610 116.349 115.700 0.065 0.000 2.573 307 S HA -0.025 4.445 4.470 0.002 0.000 0.277 307 S C 0.268 174.954 174.600 0.144 0.000 1.346 307 S CA -0.465 57.788 58.200 0.088 0.000 1.034 307 S CB 0.471 63.700 63.200 0.050 0.000 0.879 307 S HN 0.594 nan 8.310 nan 0.000 0.528 308 R N 2.753 123.348 120.500 0.159 0.000 2.640 308 R HA 0.004 4.345 4.340 0.002 0.000 0.270 308 R C -0.312 175.987 176.300 -0.002 0.000 1.024 308 R CA -0.091 56.047 56.100 0.063 0.000 1.085 308 R CB 0.138 30.433 30.300 -0.008 0.000 0.963 308 R HN 0.638 nan 8.270 nan 0.000 0.426 309 N N 2.892 121.561 118.700 -0.052 0.000 2.482 309 N HA 0.084 4.825 4.740 0.002 0.000 0.242 309 N C 0.503 175.989 175.510 -0.041 0.000 1.100 309 N CA 0.370 53.392 53.050 -0.047 0.000 0.946 309 N CB 1.262 39.709 38.487 -0.068 0.000 1.227 309 N HN 0.688 nan 8.380 nan 0.000 0.508 310 A N 4.769 127.578 122.820 -0.019 0.000 1.859 310 A HA -0.232 4.089 4.320 0.002 0.000 0.217 310 A C 2.080 179.687 177.584 0.039 0.000 1.198 310 A CA 1.532 53.568 52.037 -0.001 0.000 0.629 310 A CB -0.240 18.755 19.000 -0.008 0.000 0.830 310 A HN 0.714 nan 8.150 nan 0.000 0.446 311 R N -0.177 120.352 120.500 0.048 0.000 2.081 311 R HA 0.002 4.343 4.340 0.002 0.000 0.235 311 R C 2.448 178.848 176.300 0.167 0.000 1.131 311 R CA 1.444 57.625 56.100 0.135 0.000 0.960 311 R CB -0.726 29.688 30.300 0.190 0.000 0.856 311 R HN 0.517 nan 8.270 nan 0.000 0.436 312 A N 0.626 123.476 122.820 0.049 0.000 1.865 312 A HA -0.194 4.127 4.320 0.002 0.000 0.217 312 A C 2.209 179.784 177.584 -0.016 0.000 1.191 312 A CA 2.066 54.105 52.037 0.003 0.000 0.623 312 A CB -0.795 18.169 19.000 -0.059 0.000 0.826 312 A HN 0.302 nan 8.150 nan 0.000 0.444 313 S N -1.724 113.962 115.700 -0.023 0.000 2.399 313 S HA -0.161 4.310 4.470 0.002 0.000 0.231 313 S C 1.758 176.342 174.600 -0.026 0.000 1.022 313 S CA 1.476 59.644 58.200 -0.054 0.000 0.983 313 S CB -0.542 62.620 63.200 -0.064 0.000 0.803 313 S HN 0.684 nan 8.310 nan 0.000 0.480 314 Y N 2.545 122.803 120.300 -0.069 0.000 2.092 314 Y HA -0.118 4.433 4.550 0.002 0.000 0.282 314 Y C 2.011 177.849 175.900 -0.103 0.000 1.126 314 Y CA 1.285 59.358 58.100 -0.045 0.000 1.111 314 Y CB -0.518 37.946 38.460 0.007 0.000 0.987 314 Y HN 0.074 nan 8.280 nan 0.000 0.489 315 I N 0.003 120.496 120.570 -0.129 0.000 2.300 315 I HA -0.389 3.782 4.170 0.002 0.000 0.252 315 I C 2.338 177.969 176.117 -0.811 0.000 1.119 315 I CA 1.425 62.523 61.300 -0.336 0.000 1.384 315 I CB -1.801 36.198 38.000 -0.002 0.000 1.062 315 I HN 0.463 nan 8.210 nan 0.000 0.426 316 C N -0.366 118.516 119.300 -0.697 0.000 2.507 316 C HA 0.364 4.825 4.460 0.002 0.000 0.280 316 C C 2.241 176.922 174.990 -0.515 0.000 1.345 316 C CA 0.641 59.170 59.018 -0.815 0.000 1.736 316 C CB -0.295 27.195 27.740 -0.417 0.000 2.060 316 C HN 0.733 nan 8.230 nan 0.000 0.498 317 G N -0.130 108.454 108.800 -0.359 0.000 2.308 317 G HA2 -0.186 3.775 3.960 0.002 0.000 0.221 317 G HA3 -0.186 3.775 3.960 0.002 0.000 0.221 317 G C 0.060 174.868 174.900 -0.154 0.000 1.032 317 G CA 0.114 45.071 45.100 -0.239 0.000 0.623 317 G HN 0.561 nan 8.290 nan 0.000 0.506 318 Q N 0.584 120.288 119.800 -0.160 0.000 2.185 318 Q HA 0.501 4.842 4.340 0.002 0.000 0.225 318 Q C -0.706 175.236 176.000 -0.096 0.000 0.983 318 Q CA -0.643 55.096 55.803 -0.106 0.000 0.950 318 Q CB 1.128 29.802 28.738 -0.106 0.000 1.176 318 Q HN 0.322 nan 8.270 nan 0.000 0.510 319 D N 0.747 121.110 120.400 -0.062 0.000 2.302 319 D HA 0.250 4.891 4.640 0.002 0.000 0.248 319 D C -0.983 175.253 176.300 -0.107 0.000 1.094 319 D CA -0.031 53.923 54.000 -0.078 0.000 0.897 319 D CB 0.717 41.514 40.800 -0.006 0.000 1.200 319 D HN 0.262 nan 8.370 nan 0.000 0.429 320 I N 3.041 123.473 120.570 -0.231 0.000 2.769 320 I HA 0.251 4.421 4.170 0.002 0.000 0.298 320 I C -0.154 175.719 176.117 -0.408 0.000 1.128 320 I CA -0.603 60.585 61.300 -0.185 0.000 1.031 320 I CB 2.022 39.962 38.000 -0.099 0.000 1.235 320 I HN 0.474 nan 8.210 nan 0.000 0.423 321 H N 1.856 120.988 119.070 0.103 0.000 2.731 321 H HA 0.586 5.143 4.556 0.001 0.000 0.368 321 H C 0.656 176.008 175.328 0.040 0.000 1.168 321 H CA 0.413 56.498 56.048 0.061 0.000 1.181 321 H CB 2.145 31.937 29.762 0.050 0.000 1.743 321 H HN 0.843 nan 8.280 nan 0.000 0.547 322 G N 2.224 111.123 108.800 0.165 0.000 2.581 322 G HA2 -0.269 3.691 3.960 0.002 0.000 0.291 322 G HA3 -0.269 3.691 3.960 0.002 0.000 0.291 322 G C -0.155 174.756 174.900 0.018 0.000 1.277 322 G CA 0.273 45.424 45.100 0.086 0.000 0.959 322 G HN 0.656 nan 8.290 nan 0.000 0.554 323 D N 0.997 121.398 120.400 0.000 0.000 2.411 323 D HA 0.636 5.277 4.640 0.002 0.000 0.251 323 D C 0.646 176.888 176.300 -0.097 0.000 1.201 323 D CA 1.097 55.021 54.000 -0.126 0.000 0.996 323 D CB 1.313 42.054 40.800 -0.099 0.000 1.101 323 D HN 1.400 nan 8.370 nan 0.000 0.504 324 A N 0.298 122.990 122.820 -0.214 0.000 2.605 324 A HA 0.459 4.780 4.320 0.002 0.000 0.294 324 A C -1.515 176.019 177.584 -0.084 0.000 1.062 324 A CA -0.665 51.327 52.037 -0.075 0.000 0.682 324 A CB 1.200 20.170 19.000 -0.050 0.000 1.278 324 A HN 0.328 nan 8.150 nan 0.000 0.410 325 I N 1.616 122.234 120.570 0.080 0.000 2.412 325 I HA 0.436 4.607 4.170 0.002 0.000 0.296 325 I C -0.635 175.576 176.117 0.157 0.000 0.987 325 I CA -0.603 60.778 61.300 0.134 0.000 1.180 325 I CB 1.468 39.587 38.000 0.198 0.000 1.340 325 I HN 0.662 nan 8.210 nan 0.000 0.455 326 L N 6.711 127.993 121.223 0.099 0.000 2.272 326 L HA 0.822 5.163 4.340 0.002 0.000 0.289 326 L C -0.374 176.574 176.870 0.130 0.000 1.032 326 L CA 0.149 55.051 54.840 0.105 0.000 0.810 326 L CB 0.946 43.035 42.059 0.050 0.000 1.205 326 L HN 0.741 nan 8.230 nan 0.000 0.422 327 A N 3.037 125.961 122.820 0.174 0.000 2.599 327 A HA 0.720 5.041 4.320 0.002 0.000 0.290 327 A C -1.194 176.473 177.584 0.138 0.000 1.101 327 A CA -0.304 51.831 52.037 0.164 0.000 0.674 327 A CB 1.564 20.680 19.000 0.193 0.000 1.277 327 A HN 0.646 nan 8.150 nan 0.000 0.419 328 S N 0.463 116.209 115.700 0.078 0.000 2.399 328 S HA 0.611 5.082 4.470 0.002 0.000 0.215 328 S C -0.774 173.844 174.600 0.031 0.000 1.456 328 S CA 0.083 58.307 58.200 0.040 0.000 1.199 328 S CB -0.568 62.638 63.200 0.010 0.000 1.063 328 S HN 2.018 nan 8.310 nan 0.000 0.476 329 V N 0.832 120.748 119.914 0.003 0.000 3.188 329 V HA 1.091 5.212 4.120 0.002 0.000 0.305 329 V C 0.290 176.193 176.094 -0.319 0.000 1.232 329 V CA -0.195 61.984 62.300 -0.201 0.000 1.043 329 V CB 1.123 32.717 31.823 -0.381 0.000 1.068 329 V HN 1.050 nan 8.190 nan 0.000 0.439 330 G N -0.089 108.341 108.800 -0.617 0.000 2.343 330 G HA2 0.445 4.405 3.960 0.002 0.000 0.289 330 G HA3 0.445 4.405 3.960 0.002 0.000 0.289 330 G C -2.453 172.117 174.900 -0.550 0.000 1.295 330 G CA -0.677 44.124 45.100 -0.498 0.000 0.869 330 G HN 0.971 nan 8.290 nan 0.000 0.522 331 Y N 0.597 120.824 120.300 -0.123 0.000 2.429 331 Y HA 0.719 5.270 4.550 0.002 0.000 0.342 331 Y C 1.252 177.119 175.900 -0.054 0.000 1.004 331 Y CA -0.886 57.143 58.100 -0.119 0.000 1.075 331 Y CB 1.823 40.175 38.460 -0.179 0.000 1.214 331 Y HN 0.440 nan 8.280 nan 0.000 0.455 332 R N 0.539 121.114 120.500 0.125 0.000 2.601 332 R HA 0.322 4.663 4.340 0.002 0.000 0.220 332 R C -1.101 175.280 176.300 0.134 0.000 1.329 332 R CA -0.727 55.467 56.100 0.157 0.000 1.043 332 R CB 0.386 30.772 30.300 0.143 0.000 1.807 332 R HN 0.634 nan 8.270 nan 0.000 0.537 333 W N 0.207 121.503 121.300 -0.007 0.000 2.415 333 W HA 0.346 5.006 4.660 0.001 0.000 0.355 333 W C 0.361 176.860 176.519 -0.033 0.000 1.161 333 W CA -0.506 56.821 57.345 -0.031 0.000 1.315 333 W CB 0.263 29.685 29.460 -0.063 0.000 1.261 333 W HN 0.438 nan 8.180 nan 0.000 0.636 334 K N 0.977 121.492 120.400 0.192 0.000 3.177 334 K HA -0.181 4.140 4.320 0.002 0.000 0.266 334 K C -0.498 176.129 176.600 0.045 0.000 0.937 334 K CA 1.109 57.441 56.287 0.075 0.000 0.702 334 K CB -1.809 30.733 32.500 0.069 0.000 1.365 334 K HN 0.548 nan 8.250 nan 0.000 0.466 335 S N -1.478 114.247 115.700 0.042 0.000 2.583 335 S HA 0.213 4.684 4.470 0.002 0.000 0.294 335 S C -0.640 174.000 174.600 0.065 0.000 1.121 335 S CA -1.156 57.074 58.200 0.049 0.000 0.910 335 S CB 1.434 64.671 63.200 0.062 0.000 1.102 335 S HN 0.060 nan 8.310 nan 0.000 0.451 336 D N 1.646 122.082 120.400 0.060 0.000 2.336 336 D HA 0.215 4.856 4.640 0.002 0.000 0.228 336 D C -0.692 175.723 176.300 0.193 0.000 1.120 336 D CA 0.284 54.324 54.000 0.066 0.000 0.839 336 D CB 0.110 40.922 40.800 0.019 0.000 0.932 336 D HN 0.629 nan 8.370 nan 0.000 0.509 337 D N 0.228 120.739 120.400 0.184 0.000 2.193 337 D HA 0.206 4.847 4.640 0.002 0.000 0.244 337 D C -0.227 176.123 176.300 0.084 0.000 1.064 337 D CA -0.671 53.416 54.000 0.146 0.000 0.845 337 D CB 1.824 42.666 40.800 0.070 0.000 1.148 337 D HN -0.123 nan 8.370 nan 0.000 0.464 338 L N 2.795 123.999 121.223 -0.033 0.000 2.500 338 L HA 0.115 4.456 4.340 0.002 0.000 0.272 338 L C -0.271 176.523 176.870 -0.127 0.000 1.149 338 L CA 0.236 54.871 54.840 -0.341 0.000 0.897 338 L CB 0.169 42.018 42.059 -0.350 0.000 1.178 338 L HN 0.355 nan 8.230 nan 0.000 0.473 339 D N 4.061 124.322 120.400 -0.231 0.000 2.277 339 D HA 0.437 5.078 4.640 0.002 0.000 0.249 339 D C -1.039 175.167 176.300 -0.157 0.000 1.134 339 D CA 0.125 54.002 54.000 -0.206 0.000 0.863 339 D CB 0.407 41.122 40.800 -0.142 0.000 1.143 339 D HN 0.403 nan 8.370 nan 0.000 0.458 340 Y N 0.338 120.535 120.300 -0.172 0.000 2.689 340 Y HA 0.629 5.180 4.550 0.002 0.000 0.333 340 Y C -1.801 174.036 175.900 -0.106 0.000 1.208 340 Y CA -1.237 56.765 58.100 -0.163 0.000 1.055 340 Y CB 1.057 39.397 38.460 -0.201 0.000 1.304 340 Y HN 0.136 nan 8.280 nan 0.000 0.455 341 D N 0.072 120.566 120.400 0.158 0.000 2.596 341 D HA 0.275 4.915 4.640 0.002 0.000 0.234 341 D C -1.859 174.522 176.300 0.135 0.000 1.181 341 D CA -0.521 53.535 54.000 0.094 0.000 0.856 341 D CB 2.248 43.049 40.800 0.001 0.000 1.498 341 D HN 0.649 nan 8.370 nan 0.000 0.446 342 D N 0.358 120.813 120.400 0.093 0.000 2.365 342 D HA 0.312 4.953 4.640 0.002 0.000 0.237 342 D C -0.337 175.989 176.300 0.043 0.000 1.190 342 D CA -0.061 53.976 54.000 0.061 0.000 0.867 342 D CB 0.979 41.811 40.800 0.053 0.000 1.050 342 D HN -0.096 nan 8.370 nan 0.000 0.491 343 V N 2.491 122.429 119.914 0.040 0.000 2.539 343 V HA 0.650 4.771 4.120 0.002 0.000 0.292 343 V C 0.784 176.915 176.094 0.062 0.000 1.045 343 V CA -0.555 61.776 62.300 0.052 0.000 0.945 343 V CB 1.498 33.351 31.823 0.051 0.000 0.993 343 V HN 0.714 nan 8.190 nan 0.000 0.464 344 T N -0.357 114.252 114.554 0.092 0.000 2.838 344 T HA 0.448 4.799 4.350 0.002 0.000 0.292 344 T C 0.813 175.615 174.700 0.170 0.000 1.113 344 T CA -0.322 61.841 62.100 0.104 0.000 1.008 344 T CB 1.415 70.334 68.868 0.086 0.000 1.259 344 T HN 0.103 nan 8.240 nan 0.000 0.520 345 V N 2.168 122.188 119.914 0.176 0.000 2.363 345 V HA -0.266 3.855 4.120 0.002 0.000 0.254 345 V C 2.913 179.236 176.094 0.383 0.000 1.074 345 V CA 2.611 65.074 62.300 0.272 0.000 1.069 345 V CB -1.192 30.760 31.823 0.215 0.000 0.659 345 V HN 1.011 nan 8.190 nan 0.000 0.455 346 N N -0.269 118.582 118.700 0.253 0.000 2.250 346 N HA -0.124 4.617 4.740 0.002 0.000 0.181 346 N C 1.794 177.446 175.510 0.237 0.000 1.017 346 N CA 1.630 54.823 53.050 0.238 0.000 0.866 346 N CB -0.230 38.331 38.487 0.122 0.000 0.985 346 N HN 0.411 nan 8.380 nan 0.000 0.429 347 S N 0.564 116.383 115.700 0.198 0.000 2.387 347 S HA -0.107 4.364 4.470 0.002 0.000 0.230 347 S C 1.402 176.139 174.600 0.229 0.000 1.035 347 S CA 1.004 59.305 58.200 0.169 0.000 1.014 347 S CB -0.576 62.705 63.200 0.134 0.000 0.836 347 S HN 0.467 nan 8.310 nan 0.000 0.466 348 F N 1.593 121.607 119.950 0.106 0.000 2.031 348 F HA -0.131 4.397 4.527 0.001 0.000 0.295 348 F C 1.905 177.705 175.800 0.000 0.000 1.133 348 F CA 1.187 59.212 58.000 0.041 0.000 1.188 348 F CB -1.220 37.772 39.000 -0.014 0.000 0.974 348 F HN 0.176 nan 8.300 nan 0.000 0.473 349 Y N 0.324 120.509 120.300 -0.191 0.000 2.193 349 Y HA -0.260 4.290 4.550 0.002 0.000 0.285 349 Y C 2.799 178.604 175.900 -0.158 0.000 1.166 349 Y CA 2.157 60.067 58.100 -0.316 0.000 1.181 349 Y CB -0.701 37.686 38.460 -0.122 0.000 0.976 349 Y HN 0.062 nan 8.280 nan 0.000 0.520 350 R N 0.120 120.675 120.500 0.091 0.000 2.152 350 R HA -0.133 4.208 4.340 0.002 0.000 0.232 350 R C 1.830 178.152 176.300 0.037 0.000 1.117 350 R CA 1.194 57.336 56.100 0.069 0.000 0.981 350 R CB -0.251 30.100 30.300 0.084 0.000 0.870 350 R HN 0.288 nan 8.270 nan 0.000 0.451 351 I N -0.409 120.178 120.570 0.029 0.000 2.406 351 I HA -0.238 3.933 4.170 0.002 0.000 0.249 351 I C 2.065 178.183 176.117 0.002 0.000 1.122 351 I CA 0.811 62.147 61.300 0.059 0.000 1.431 351 I CB -0.869 37.235 38.000 0.174 0.000 1.087 351 I HN 0.300 nan 8.210 nan 0.000 0.424 352 C N 0.631 119.873 119.300 -0.096 0.000 2.425 352 C HA -0.158 4.303 4.460 0.002 0.000 0.277 352 C C 3.155 178.156 174.990 0.019 0.000 1.280 352 C CA 0.384 59.372 59.018 -0.050 0.000 1.744 352 C CB -1.223 26.344 27.740 -0.288 0.000 1.989 352 C HN 0.573 nan 8.230 nan 0.000 0.491 353 C N 1.092 120.391 119.300 -0.001 0.000 2.440 353 C HA 0.031 4.492 4.460 0.002 0.000 0.278 353 C C 2.989 177.974 174.990 -0.008 0.000 1.295 353 C CA 1.054 60.080 59.018 0.014 0.000 1.738 353 C CB -1.908 25.852 27.740 0.034 0.000 1.987 353 C HN 0.751 nan 8.230 nan 0.000 0.492 354 G N 1.294 110.093 108.800 -0.003 0.000 2.507 354 G HA2 -0.263 3.698 3.960 0.002 0.000 0.221 354 G HA3 -0.263 3.698 3.960 0.002 0.000 0.221 354 G C 1.473 176.345 174.900 -0.047 0.000 1.119 354 G CA 1.254 46.347 45.100 -0.011 0.000 0.751 354 G HN 0.400 nan 8.290 nan 0.000 0.574 355 M N 1.787 121.341 119.600 -0.077 0.000 2.067 355 M HA 0.012 4.493 4.480 0.002 0.000 0.260 355 M C 2.017 178.192 176.300 -0.208 0.000 1.069 355 M CA 0.776 56.017 55.300 -0.099 0.000 1.117 355 M CB -1.806 30.798 32.600 0.007 0.000 1.334 355 M HN 0.292 nan 8.290 nan 0.000 0.407 356 S N 1.731 117.123 115.700 -0.512 0.000 2.573 356 S HA 0.088 4.559 4.470 0.002 0.000 0.277 356 S C -1.603 172.883 174.600 -0.190 0.000 1.346 356 S CA -1.020 56.776 58.200 -0.673 0.000 1.034 356 S CB 0.465 63.469 63.200 -0.327 0.000 0.879 356 S HN 0.139 nan 8.310 nan 0.000 0.528 357 P HA -0.100 nan 4.420 nan 0.000 0.217 357 P C 1.224 178.544 177.300 0.033 0.000 1.154 357 P CA 1.189 64.232 63.100 -0.095 0.000 0.841 357 P CB -0.131 31.425 31.700 -0.241 0.000 0.788 358 N N 0.101 118.818 118.700 0.029 0.000 2.084 358 N HA -0.119 4.622 4.740 0.002 0.000 0.190 358 N C 2.183 177.770 175.510 0.128 0.000 1.030 358 N CA 1.312 54.410 53.050 0.080 0.000 0.849 358 N CB -0.595 37.928 38.487 0.060 0.000 1.012 358 N HN 0.009 nan 8.380 nan 0.000 0.423 359 G N 1.338 110.179 108.800 0.068 0.000 2.440 359 G HA2 -0.211 3.750 3.960 0.002 0.000 0.218 359 G HA3 -0.211 3.750 3.960 0.002 0.000 0.218 359 G C 1.555 176.501 174.900 0.077 0.000 1.154 359 G CA 0.640 45.777 45.100 0.062 0.000 0.767 359 G HN 0.303 nan 8.290 nan 0.000 0.552 360 I N -0.792 119.830 120.570 0.086 0.000 2.179 360 I HA -0.189 3.982 4.170 0.002 0.000 0.242 360 I C 2.435 178.624 176.117 0.119 0.000 1.088 360 I CA 1.360 62.718 61.300 0.097 0.000 1.357 360 I CB -0.351 37.724 38.000 0.125 0.000 1.051 360 I HN 0.239 nan 8.210 nan 0.000 0.409 361 Y N 2.137 122.469 120.300 0.053 0.000 2.114 361 Y HA -0.335 4.216 4.550 0.001 0.000 0.282 361 Y C 2.499 178.418 175.900 0.032 0.000 1.165 361 Y CA 1.816 59.950 58.100 0.056 0.000 1.148 361 Y CB -0.238 38.257 38.460 0.057 0.000 0.972 361 Y HN -0.000 nan 8.280 nan 0.000 0.504 362 K N -0.034 120.422 120.400 0.094 0.000 2.032 362 K HA -0.178 4.143 4.320 0.002 0.000 0.209 362 K C 1.964 178.537 176.600 -0.046 0.000 1.048 362 K CA 2.222 58.517 56.287 0.013 0.000 0.927 362 K CB -0.402 32.147 32.500 0.082 0.000 0.712 362 K HN 0.404 nan 8.250 nan 0.000 0.441 363 I N 0.662 121.225 120.570 -0.012 0.000 2.394 363 I HA -0.251 3.920 4.170 0.002 0.000 0.251 363 I C 2.654 178.744 176.117 -0.046 0.000 1.136 363 I CA 0.843 62.135 61.300 -0.013 0.000 1.425 363 I CB -0.407 37.599 38.000 0.010 0.000 1.079 363 I HN 0.138 nan 8.210 nan 0.000 0.425 364 S N 1.488 117.140 115.700 -0.080 0.000 2.353 364 S HA -0.169 4.302 4.470 0.002 0.000 0.222 364 S C 2.086 176.605 174.600 -0.135 0.000 1.035 364 S CA 1.348 59.489 58.200 -0.098 0.000 1.025 364 S CB -0.200 62.935 63.200 -0.109 0.000 0.902 364 S HN 0.392 nan 8.310 nan 0.000 0.440 365 R N 0.452 120.818 120.500 -0.224 0.000 2.319 365 R HA 0.190 4.531 4.340 0.002 0.000 0.204 365 R C 0.476 176.721 176.300 -0.091 0.000 0.954 365 R CA 0.411 56.393 56.100 -0.197 0.000 1.066 365 R CB -0.233 29.888 30.300 -0.299 0.000 0.991 365 R HN 0.568 nan 8.270 nan 0.000 0.486 366 Q N -1.500 118.265 119.800 -0.057 0.000 2.450 366 Q HA -0.214 4.127 4.340 0.002 0.000 0.255 366 Q C -0.387 175.643 176.000 0.049 0.000 1.003 366 Q CA 0.855 56.653 55.803 -0.008 0.000 1.097 366 Q CB -1.062 27.668 28.738 -0.014 0.000 1.544 366 Q HN 0.454 nan 8.270 nan 0.000 0.531 367 A N -0.194 122.663 122.820 0.061 0.000 3.248 367 A HA 0.470 4.791 4.320 0.002 0.000 0.315 367 A C 1.020 178.649 177.584 0.076 0.000 0.974 367 A CA -0.253 51.870 52.037 0.144 0.000 0.939 367 A CB 0.458 19.594 19.000 0.227 0.000 1.061 367 A HN 0.120 nan 8.150 nan 0.000 0.481 368 V N 0.381 120.330 119.914 0.058 0.000 2.317 368 V HA -0.321 3.800 4.120 0.002 0.000 0.251 368 V C 2.146 178.259 176.094 0.032 0.000 1.065 368 V CA 2.855 65.181 62.300 0.042 0.000 1.049 368 V CB -0.660 31.187 31.823 0.039 0.000 0.651 368 V HN 0.826 nan 8.190 nan 0.000 0.450 369 I N -0.535 120.043 120.570 0.013 0.000 3.035 369 I HA 0.052 4.223 4.170 0.002 0.000 0.271 369 I C 2.365 178.444 176.117 -0.063 0.000 1.190 369 I CA 0.967 62.258 61.300 -0.014 0.000 1.472 369 I CB -0.280 37.696 38.000 -0.039 0.000 1.116 369 I HN 0.237 nan 8.210 nan 0.000 0.443 370 A N 0.760 123.484 122.820 -0.159 0.000 2.044 370 A HA 0.516 4.837 4.320 0.002 0.000 0.213 370 A C 1.319 178.739 177.584 -0.273 0.000 1.169 370 A CA 0.460 52.315 52.037 -0.303 0.000 0.724 370 A CB -0.158 18.393 19.000 -0.749 0.000 0.840 370 A HN 0.259 nan 8.150 nan 0.000 0.463 371 A N -0.670 122.121 122.820 -0.049 0.000 2.295 371 A HA 0.679 5.000 4.320 0.002 0.000 0.318 371 A C -0.280 177.352 177.584 0.080 0.000 1.134 371 A CA -0.420 51.643 52.037 0.044 0.000 0.827 371 A CB 0.773 19.939 19.000 0.276 0.000 1.136 371 A HN 0.440 nan 8.150 nan 0.000 0.493 372 Q N 0.072 119.932 119.800 0.100 0.000 2.495 372 Q HA 0.560 4.901 4.340 0.002 0.000 0.287 372 Q C -1.672 174.255 176.000 -0.122 0.000 1.078 372 Q CA -0.873 54.954 55.803 0.040 0.000 0.793 372 Q CB 1.956 30.653 28.738 -0.069 0.000 1.459 372 Q HN 0.732 nan 8.270 nan 0.000 0.422 373 L N 3.397 124.494 121.223 -0.210 0.000 2.360 373 L HA 0.428 4.769 4.340 0.002 0.000 0.276 373 L C -2.449 174.192 176.870 -0.381 0.000 1.121 373 L CA -1.130 53.392 54.840 -0.530 0.000 0.845 373 L CB 0.695 42.608 42.059 -0.245 0.000 1.143 373 L HN 0.482 nan 8.230 nan 0.000 0.452 374 P HA 0.133 nan 4.420 nan 0.000 0.274 374 P C -0.431 176.768 177.300 -0.169 0.000 1.231 374 P CA -0.018 62.846 63.100 -0.393 0.000 0.790 374 P CB 0.380 31.884 31.700 -0.327 0.000 0.951 375 F N -0.103 119.858 119.950 0.018 0.000 2.695 375 F HA 0.699 5.227 4.527 0.002 0.000 0.303 375 F C 0.257 176.103 175.800 0.076 0.000 1.091 375 F CA -1.358 56.664 58.000 0.036 0.000 1.300 375 F CB -0.641 38.364 39.000 0.009 0.000 1.071 375 F HN 0.166 nan 8.300 nan 0.000 0.578 376 A N 0.425 123.412 122.820 0.277 0.000 2.488 376 A HA 0.569 4.890 4.320 0.002 0.000 0.298 376 A C -1.848 175.892 177.584 0.259 0.000 1.044 376 A CA -0.505 51.721 52.037 0.314 0.000 0.693 376 A CB 0.624 19.857 19.000 0.388 0.000 1.272 376 A HN 0.279 nan 8.150 nan 0.000 0.402 377 F N 2.778 122.807 119.950 0.132 0.000 2.361 377 F HA 0.441 4.969 4.527 0.002 0.000 0.364 377 F C 1.046 176.936 175.800 0.151 0.000 1.120 377 F CA 0.093 58.141 58.000 0.081 0.000 1.102 377 F CB 1.509 40.407 39.000 -0.169 0.000 1.183 377 F HN 0.639 nan 8.300 nan 0.000 0.476 378 T N 2.324 116.915 114.554 0.061 0.000 2.837 378 T HA 0.127 4.478 4.350 0.002 0.000 0.242 378 T C -0.011 174.843 174.700 0.256 0.000 1.044 378 T CA 0.624 62.837 62.100 0.188 0.000 1.202 378 T CB 0.062 68.977 68.868 0.079 0.000 0.905 378 T HN 0.474 nan 8.240 nan 0.000 0.413 379 T N 0.736 115.312 114.554 0.038 0.000 2.993 379 T HA 0.345 4.696 4.350 0.002 0.000 0.312 379 T C 0.416 175.171 174.700 0.090 0.000 1.115 379 T CA -0.763 61.450 62.100 0.190 0.000 1.027 379 T CB 2.808 71.763 68.868 0.145 0.000 1.116 379 T HN 0.039 nan 8.240 nan 0.000 0.464 380 K N 1.226 121.819 120.400 0.321 0.000 2.228 380 K HA -0.127 4.194 4.320 0.002 0.000 0.205 380 K C 1.881 178.594 176.600 0.189 0.000 1.045 380 K CA 1.534 58.010 56.287 0.315 0.000 0.931 380 K CB -0.015 32.660 32.500 0.293 0.000 0.727 380 K HN 0.430 nan 8.250 nan 0.000 0.458 381 S N 0.575 116.353 115.700 0.131 0.000 2.425 381 S HA 0.009 4.480 4.470 0.002 0.000 0.225 381 S C 1.270 175.907 174.600 0.061 0.000 1.024 381 S CA 0.668 58.923 58.200 0.091 0.000 0.951 381 S CB -0.055 63.190 63.200 0.076 0.000 0.796 381 S HN 0.396 nan 8.310 nan 0.000 0.498 382 N N 0.163 118.888 118.700 0.042 0.000 2.395 382 N HA -0.003 4.738 4.740 0.002 0.000 0.175 382 N C 0.399 175.903 175.510 -0.010 0.000 1.029 382 N CA 0.160 53.215 53.050 0.008 0.000 0.897 382 N CB -0.159 38.327 38.487 -0.001 0.000 0.991 382 N HN 0.501 nan 8.380 nan 0.000 0.441 383 W N 3.090 124.244 121.300 -0.243 0.000 2.158 383 W HA 0.094 4.755 4.660 0.002 0.000 0.339 383 W C -0.370 176.103 176.519 -0.077 0.000 1.294 383 W CA 0.392 57.579 57.345 -0.263 0.000 1.231 383 W CB 0.550 29.697 29.460 -0.521 0.000 1.143 383 W HN -0.116 nan 8.180 nan 0.000 0.571 384 R N 2.457 122.468 120.500 -0.814 0.000 2.888 384 R HA 0.552 4.893 4.340 0.002 0.000 0.264 384 R C 0.548 176.483 176.300 -0.607 0.000 1.045 384 R CA 0.155 55.950 56.100 -0.508 0.000 0.962 384 R CB 0.828 30.951 30.300 -0.295 0.000 1.210 384 R HN 0.856 nan 8.270 nan 0.000 0.479 385 G N 1.714 110.360 108.800 -0.256 0.000 2.514 385 G HA2 -0.235 3.726 3.960 0.002 0.000 0.265 385 G HA3 -0.235 3.726 3.960 0.002 0.000 0.265 385 G C -2.457 172.503 174.900 0.100 0.000 1.150 385 G CA -0.348 44.640 45.100 -0.186 0.000 0.959 385 G HN 0.530 nan 8.290 nan 0.000 0.556 386 P HA 0.633 nan 4.420 nan 0.000 0.303 386 P C 0.265 178.018 177.300 0.756 0.000 1.350 386 P CA -0.767 62.572 63.100 0.399 0.000 0.880 386 P CB 1.156 33.007 31.700 0.252 0.000 1.018 387 L N 4.798 126.342 121.223 0.534 0.000 2.503 387 L HA 0.023 4.364 4.340 0.002 0.000 0.287 387 L C -0.587 176.380 176.870 0.162 0.000 1.252 387 L CA -1.149 53.831 54.840 0.232 0.000 0.835 387 L CB -0.257 41.832 42.059 0.050 0.000 1.099 387 L HN 0.303 nan 8.230 nan 0.000 0.516 388 P HA -0.166 nan 4.420 nan 0.000 0.217 388 P C 1.336 178.653 177.300 0.028 0.000 1.151 388 P CA 1.109 64.193 63.100 -0.026 0.000 0.828 388 P CB 0.066 31.641 31.700 -0.209 0.000 0.788 389 R N 1.005 121.481 120.500 -0.040 0.000 2.081 389 R HA -0.134 4.207 4.340 0.002 0.000 0.235 389 R C 2.073 178.414 176.300 0.068 0.000 1.131 389 R CA 1.734 57.836 56.100 0.004 0.000 0.960 389 R CB -1.390 28.875 30.300 -0.058 0.000 0.856 389 R HN -0.001 nan 8.270 nan 0.000 0.436 390 E N 0.640 120.886 120.200 0.076 0.000 2.072 390 E HA -0.110 4.241 4.350 0.002 0.000 0.191 390 E C 2.132 178.817 176.600 0.142 0.000 0.985 390 E CA 1.505 57.967 56.400 0.103 0.000 0.801 390 E CB -0.327 29.437 29.700 0.107 0.000 0.750 390 E HN 0.473 nan 8.360 nan 0.000 0.452 391 I N 0.555 121.232 120.570 0.179 0.000 2.226 391 I HA -0.269 3.902 4.170 0.002 0.000 0.245 391 I C 2.401 178.647 176.117 0.215 0.000 1.100 391 I CA 0.580 62.004 61.300 0.205 0.000 1.374 391 I CB -0.280 37.868 38.000 0.247 0.000 1.057 391 I HN 0.090 nan 8.210 nan 0.000 0.413 392 L N 1.316 122.668 121.223 0.214 0.000 2.013 392 L HA -0.157 4.184 4.340 0.002 0.000 0.212 392 L C 2.407 179.474 176.870 0.328 0.000 1.073 392 L CA 2.331 57.347 54.840 0.293 0.000 0.753 392 L CB -1.273 40.971 42.059 0.309 0.000 0.890 392 L HN 0.223 nan 8.230 nan 0.000 0.432 393 G N -1.060 107.879 108.800 0.231 0.000 2.422 393 G HA2 -0.208 3.752 3.960 0.002 0.000 0.218 393 G HA3 -0.208 3.752 3.960 0.002 0.000 0.218 393 G C 1.607 176.618 174.900 0.185 0.000 1.146 393 G CA 0.943 46.160 45.100 0.194 0.000 0.769 393 G HN 0.427 nan 8.290 nan 0.000 0.547 394 L N -0.830 120.496 121.223 0.171 0.000 2.056 394 L HA 0.058 4.399 4.340 0.002 0.000 0.207 394 L C 2.530 179.488 176.870 0.146 0.000 1.078 394 L CA 0.852 55.774 54.840 0.136 0.000 0.749 394 L CB -0.405 41.724 42.059 0.117 0.000 0.901 394 L HN 0.252 nan 8.230 nan 0.000 0.433 395 F N 0.049 120.027 119.950 0.045 0.000 2.234 395 F HA -0.207 4.321 4.527 0.002 0.000 0.299 395 F C 2.356 178.174 175.800 0.031 0.000 1.087 395 F CA 1.119 59.123 58.000 0.007 0.000 1.340 395 F CB -0.295 38.682 39.000 -0.038 0.000 1.031 395 F HN 0.051 nan 8.300 nan 0.000 0.500 396 C N -0.444 118.899 119.300 0.071 0.000 2.475 396 C HA -0.124 4.337 4.460 0.002 0.000 0.279 396 C C 2.801 177.765 174.990 -0.044 0.000 1.322 396 C CA 1.066 60.092 59.018 0.014 0.000 1.734 396 C CB -1.452 26.422 27.740 0.223 0.000 2.005 396 C HN 0.580 nan 8.230 nan 0.000 0.495 397 H N 0.748 119.778 119.070 -0.067 0.000 2.403 397 H HA -0.048 4.509 4.556 0.001 0.000 0.298 397 H C 2.112 177.341 175.328 -0.166 0.000 1.059 397 H CA 1.431 57.430 56.048 -0.081 0.000 1.363 397 H CB -0.145 29.593 29.762 -0.039 0.000 1.410 397 H HN 0.543 nan 8.280 nan 0.000 0.528 398 Q N -0.329 119.395 119.800 -0.127 0.000 2.124 398 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 398 Q C 0.333 175.967 176.000 -0.609 0.000 0.977 398 Q CA 0.948 56.550 55.803 -0.334 0.000 0.850 398 Q CB 0.124 28.596 28.738 -0.444 0.000 0.901 398 Q HN 0.522 nan 8.270 nan 0.000 0.429 399 H N -0.472 118.355 119.070 -0.406 0.000 2.517 399 H HA 0.307 4.864 4.556 0.002 0.000 0.346 399 H C -0.149 174.992 175.328 -0.312 0.000 1.222 399 H CA -0.416 55.391 56.048 -0.402 0.000 1.314 399 H CB 0.714 30.131 29.762 -0.575 0.000 1.609 399 H HN -0.005 nan 8.280 nan 0.000 0.571 400 R N 1.690 122.120 120.500 -0.116 0.000 2.608 400 R HA 0.254 4.595 4.340 0.002 0.000 0.277 400 R C -0.526 175.731 176.300 -0.072 0.000 1.341 400 R CA -0.175 55.848 56.100 -0.128 0.000 1.199 400 R CB -0.064 30.176 30.300 -0.100 0.000 1.156 400 R HN 0.193 nan 8.270 nan 0.000 0.558 401 L N 1.394 122.573 121.223 -0.074 0.000 2.354 401 L HA 0.550 4.891 4.340 0.002 0.000 0.269 401 L C 0.116 176.999 176.870 0.022 0.000 1.005 401 L CA -0.958 53.889 54.840 0.012 0.000 0.819 401 L CB 1.995 44.084 42.059 0.051 0.000 1.311 401 L HN 0.472 nan 8.230 nan 0.000 0.423 402 A N 1.918 124.768 122.820 0.050 0.000 2.302 402 A HA 0.244 4.565 4.320 0.002 0.000 0.295 402 A C 0.418 178.024 177.584 0.038 0.000 1.235 402 A CA -0.387 51.650 52.037 -0.000 0.000 0.876 402 A CB 0.033 19.007 19.000 -0.043 0.000 1.133 402 A HN 0.817 nan 8.150 nan 0.000 0.533 403 E N 4.813 125.029 120.200 0.027 0.000 3.495 403 E HA -0.094 4.256 4.350 0.002 0.000 0.272 403 E C -1.620 174.978 176.600 -0.003 0.000 0.845 403 E CA -0.658 55.772 56.400 0.051 0.000 0.974 403 E CB 0.238 29.962 29.700 0.039 0.000 0.919 403 E HN 0.522 nan 8.360 nan 0.000 0.556 404 P HA -0.117 nan 4.420 nan 0.000 0.264 404 P C -0.312 176.832 177.300 -0.259 0.000 1.173 404 P CA 0.841 63.708 63.100 -0.388 0.000 0.761 404 P CB 0.350 31.761 31.700 -0.483 0.000 0.794 405 I N 3.103 123.488 120.570 -0.308 0.000 2.325 405 I HA 0.137 4.308 4.170 0.002 0.000 0.291 405 I C 0.503 176.526 176.117 -0.157 0.000 1.019 405 I CA -0.616 60.593 61.300 -0.152 0.000 1.302 405 I CB 0.832 38.774 38.000 -0.097 0.000 1.401 405 I HN 0.202 nan 8.210 nan 0.000 0.485 406 L N 8.002 129.168 121.223 -0.094 0.000 2.353 406 L HA 0.412 4.753 4.340 0.002 0.000 0.270 406 L C -0.173 176.666 176.870 -0.051 0.000 1.003 406 L CA -0.081 54.710 54.840 -0.081 0.000 0.862 406 L CB 1.120 43.134 42.059 -0.075 0.000 1.221 406 L HN 0.581 nan 8.230 nan 0.000 0.430 407 S N 2.373 118.046 115.700 -0.045 0.000 2.596 407 S HA 0.803 5.274 4.470 0.002 0.000 0.318 407 S C -0.338 174.251 174.600 -0.019 0.000 1.097 407 S CA -0.319 57.865 58.200 -0.026 0.000 1.080 407 S CB 1.199 64.388 63.200 -0.018 0.000 0.991 407 S HN 0.723 nan 8.310 nan 0.000 0.471 408 S N 2.643 118.335 115.700 -0.013 0.000 2.549 408 S HA 0.847 5.318 4.470 0.002 0.000 0.297 408 S C 0.110 174.720 174.600 0.017 0.000 1.115 408 S CA -0.525 57.675 58.200 0.000 0.000 1.059 408 S CB 1.280 64.474 63.200 -0.009 0.000 1.046 408 S HN 1.206 nan 8.310 nan 0.000 0.506 454 C N 0.844 120.348 119.300 0.339 0.000 2.451 454 C HA 0.979 5.439 4.460 0.002 0.000 0.391 454 C C 0.014 175.078 174.990 0.123 0.000 1.286 454 C CA 0.024 59.243 59.018 0.336 0.000 1.935 454 C CB 1.946 29.962 27.740 0.460 0.000 2.188 454 C HN 0.918 nan 8.230 nan 0.000 0.523 455 E N -0.729 119.497 120.200 0.044 0.000 2.375 455 E HA 0.748 5.099 4.350 0.002 0.000 0.280 455 E C -1.533 175.052 176.600 -0.024 0.000 0.972 455 E CA -0.170 56.226 56.400 -0.008 0.000 0.782 455 E CB 1.936 31.605 29.700 -0.051 0.000 1.229 455 E HN 0.894 nan 8.360 nan 0.000 0.439 456 V N 2.736 122.632 119.914 -0.029 0.000 2.876 456 V HA 0.703 4.824 4.120 0.002 0.000 0.312 456 V C -0.804 175.265 176.094 -0.042 0.000 1.085 456 V CA -1.016 61.267 62.300 -0.030 0.000 0.945 456 V CB 2.148 33.959 31.823 -0.019 0.000 1.017 456 V HN 0.468 nan 8.190 nan 0.000 0.428 457 K N 4.390 124.772 120.400 -0.029 0.000 2.541 457 K HA 0.711 5.032 4.320 0.002 0.000 0.250 457 K C -1.241 175.356 176.600 -0.005 0.000 0.950 457 K CA -0.235 56.034 56.287 -0.030 0.000 0.805 457 K CB 2.314 34.846 32.500 0.053 0.000 1.166 457 K HN 0.873 nan 8.250 nan 0.000 0.430 458 I N -0.819 119.670 120.570 -0.136 0.000 2.802 458 I HA 0.628 4.799 4.170 0.002 0.000 0.298 458 I C -1.142 174.804 176.117 -0.284 0.000 1.176 458 I CA -1.058 60.218 61.300 -0.040 0.000 1.025 458 I CB 1.796 39.792 38.000 -0.006 0.000 1.243 458 I HN 0.162 nan 8.210 nan 0.000 0.424 459 F N 1.089 121.118 119.950 0.132 0.000 2.556 459 F HA 0.800 5.328 4.527 0.002 0.000 0.327 459 F C 0.030 175.908 175.800 0.131 0.000 1.059 459 F CA -0.736 57.363 58.000 0.165 0.000 0.953 459 F CB 2.520 41.689 39.000 0.282 0.000 1.227 459 F HN 0.415 nan 8.300 nan 0.000 0.478 460 T N 1.399 116.121 114.554 0.281 0.000 3.143 460 T HA 0.297 4.648 4.350 0.002 0.000 0.312 460 T C -0.972 173.817 174.700 0.148 0.000 0.986 460 T CA -0.985 61.218 62.100 0.173 0.000 1.024 460 T CB 1.167 70.086 68.868 0.084 0.000 1.030 460 T HN 0.345 nan 8.240 nan 0.000 0.448 461 K N 1.975 122.458 120.400 0.138 0.000 2.263 461 K HA 0.484 4.804 4.320 0.002 0.000 0.272 461 K C -0.028 176.606 176.600 0.057 0.000 1.033 461 K CA -0.544 55.798 56.287 0.092 0.000 0.884 461 K CB 1.170 33.729 32.500 0.098 0.000 1.107 461 K HN 0.731 nan 8.250 nan 0.000 0.460 462 S N 3.318 119.034 115.700 0.025 0.000 3.608 462 S HA -0.217 4.254 4.470 0.002 0.000 0.382 462 S C 0.198 174.812 174.600 0.023 0.000 0.945 462 S CA 1.004 59.212 58.200 0.012 0.000 1.256 462 S CB -1.356 61.853 63.200 0.015 0.000 0.913 462 S HN 0.943 nan 8.310 nan 0.000 0.518 463 Q N -2.318 117.496 119.800 0.022 0.000 2.362 463 Q HA -0.224 4.117 4.340 0.002 0.000 0.220 463 Q C -0.801 175.228 176.000 0.048 0.000 0.713 463 Q CA 1.751 57.574 55.803 0.034 0.000 1.345 463 Q CB -0.884 27.872 28.738 0.031 0.000 1.570 463 Q HN 0.769 nan 8.270 nan 0.000 0.701 464 D N 0.432 120.868 120.400 0.060 0.000 2.362 464 D HA 0.406 5.047 4.640 0.002 0.000 0.247 464 D C 0.160 176.519 176.300 0.099 0.000 1.050 464 D CA -0.547 53.496 54.000 0.072 0.000 0.839 464 D CB 1.068 41.910 40.800 0.070 0.000 1.283 464 D HN 0.064 nan 8.370 nan 0.000 0.477 465 L N 1.613 122.896 121.223 0.100 0.000 2.490 465 L HA 0.037 4.378 4.340 0.002 0.000 0.274 465 L C 1.343 178.317 176.870 0.174 0.000 1.201 465 L CA -0.219 54.697 54.840 0.128 0.000 0.869 465 L CB 0.666 42.783 42.059 0.097 0.000 1.123 465 L HN 0.247 nan 8.230 nan 0.000 0.484 466 V N 3.710 123.774 119.914 0.251 0.000 2.908 466 V HA 0.238 4.359 4.120 0.002 0.000 0.240 466 V C 0.155 176.448 176.094 0.331 0.000 1.117 466 V CA 0.382 62.878 62.300 0.327 0.000 1.133 466 V CB 0.779 32.859 31.823 0.428 0.000 0.857 466 V HN 0.617 nan 8.190 nan 0.000 0.478 467 L N -0.676 120.737 121.223 0.316 0.000 2.794 467 L HA 0.561 4.902 4.340 0.002 0.000 0.261 467 L C -1.759 175.194 176.870 0.138 0.000 0.989 467 L CA -0.216 54.710 54.840 0.144 0.000 0.900 467 L CB 2.381 44.490 42.059 0.083 0.000 1.473 467 L HN 0.075 nan 8.230 nan 0.000 0.414 468 E N 1.727 121.911 120.200 -0.027 0.000 2.256 468 E HA 0.657 5.008 4.350 0.002 0.000 0.268 468 E C -1.839 174.713 176.600 -0.080 0.000 0.877 468 E CA -0.580 55.807 56.400 -0.021 0.000 0.757 468 E CB 2.054 31.728 29.700 -0.044 0.000 1.183 468 E HN 0.621 nan 8.360 nan 0.000 0.418 469 C N 1.861 121.141 119.300 -0.032 0.000 2.783 469 C HA 0.678 5.139 4.460 0.002 0.000 0.312 469 C C -1.073 173.892 174.990 -0.043 0.000 1.182 469 C CA -0.494 58.490 59.018 -0.056 0.000 1.432 469 C CB 1.392 29.120 27.740 -0.020 0.000 1.933 469 C HN 0.805 nan 8.230 nan 0.000 0.473 470 S N 3.402 119.066 115.700 -0.059 0.000 2.546 470 S HA 0.885 5.356 4.470 0.002 0.000 0.272 470 S C -3.364 171.189 174.600 -0.078 0.000 1.140 470 S CA -0.734 57.431 58.200 -0.058 0.000 0.920 470 S CB 1.915 65.087 63.200 -0.047 0.000 1.083 470 S HN 0.611 nan 8.310 nan 0.000 0.476 471 P HA 0.619 nan 4.420 nan 0.000 0.295 471 P C -0.483 176.674 177.300 -0.237 0.000 1.319 471 P CA -0.958 62.072 63.100 -0.117 0.000 0.940 471 P CB 1.474 33.136 31.700 -0.064 0.000 1.192 472 R N 0.322 120.672 120.500 -0.250 0.000 2.317 472 R HA 0.163 4.504 4.340 0.002 0.000 0.208 472 R C 0.177 176.113 176.300 -0.607 0.000 0.914 472 R CA 0.178 56.039 56.100 -0.397 0.000 1.060 472 R CB 0.214 30.406 30.300 -0.179 0.000 1.015 472 R HN 0.367 nan 8.270 nan 0.000 0.498 473 K N 1.545 121.678 120.400 -0.446 0.000 2.347 473 K HA 0.196 4.517 4.320 0.002 0.000 0.262 473 K C -1.006 175.335 176.600 -0.431 0.000 1.052 473 K CA -0.421 55.638 56.287 -0.379 0.000 0.946 473 K CB 0.752 33.121 32.500 -0.217 0.000 1.220 473 K HN -0.130 nan 8.250 nan 0.000 0.450 474 F N 2.716 122.602 119.950 -0.106 0.000 2.541 474 F HA 0.082 4.610 4.527 0.001 0.000 0.378 474 F C 0.453 176.152 175.800 -0.167 0.000 1.068 474 F CA -0.258 57.710 58.000 -0.054 0.000 1.199 474 F CB -0.075 38.908 39.000 -0.028 0.000 1.091 474 F HN 0.365 nan 8.300 nan 0.000 0.555 475 Y N 1.997 122.371 120.300 0.122 0.000 2.335 475 Y HA 0.174 4.725 4.550 0.002 0.000 0.323 475 Y C 1.491 177.435 175.900 0.073 0.000 1.224 475 Y CA -0.833 57.310 58.100 0.072 0.000 1.241 475 Y CB 0.710 39.175 38.460 0.008 0.000 1.235 475 Y HN 0.607 nan 8.280 nan 0.000 0.492 476 E N 1.075 121.389 120.200 0.190 0.000 2.016 476 E HA -0.117 4.234 4.350 0.002 0.000 0.190 476 E C 0.211 176.879 176.600 0.113 0.000 0.985 476 E CA 0.798 57.272 56.400 0.123 0.000 0.802 476 E CB 0.076 29.837 29.700 0.102 0.000 0.762 476 E HN 0.344 nan 8.360 nan 0.000 0.448 477 K N 0.949 121.422 120.400 0.121 0.000 2.156 477 K HA 0.022 4.343 4.320 0.002 0.000 0.271 477 K C 0.601 177.224 176.600 0.038 0.000 0.995 477 K CA -0.311 56.017 56.287 0.069 0.000 0.890 477 K CB 1.133 33.668 32.500 0.059 0.000 1.073 477 K HN -0.178 nan 8.250 nan 0.000 0.454 478 E N 2.210 122.417 120.200 0.011 0.000 2.160 478 E HA -0.228 4.123 4.350 0.002 0.000 0.195 478 E C 1.275 177.819 176.600 -0.093 0.000 0.991 478 E CA 1.359 57.746 56.400 -0.023 0.000 0.810 478 E CB -0.328 29.363 29.700 -0.015 0.000 0.742 478 E HN 0.674 nan 8.360 nan 0.000 0.466 479 N N 1.293 119.933 118.700 -0.099 0.000 2.084 479 N HA -0.148 4.593 4.740 0.002 0.000 0.190 479 N C 0.790 176.100 175.510 -0.333 0.000 1.030 479 N CA 1.542 54.492 53.050 -0.166 0.000 0.849 479 N CB -0.107 38.317 38.487 -0.105 0.000 1.012 479 N HN -0.038 nan 8.380 nan 0.000 0.423 480 D N -0.876 119.332 120.400 -0.320 0.000 2.378 480 D HA 0.119 4.760 4.640 0.002 0.000 0.227 480 D C 1.278 177.072 176.300 -0.843 0.000 1.012 480 D CA 0.566 54.206 54.000 -0.600 0.000 0.905 480 D CB 0.020 40.716 40.800 -0.174 0.000 0.895 480 D HN 0.454 nan 8.370 nan 0.000 0.532 481 A N -0.101 122.430 122.820 -0.481 0.000 1.887 481 A HA 0.055 4.376 4.320 0.002 0.000 0.212 481 A C 2.034 179.367 177.584 -0.418 0.000 1.198 481 A CA 0.276 52.088 52.037 -0.374 0.000 0.628 481 A CB -0.289 18.682 19.000 -0.048 0.000 0.847 481 A HN 0.120 nan 8.150 nan 0.000 0.449 482 I N -0.203 120.162 120.570 -0.342 0.000 2.090 482 I HA -0.285 3.886 4.170 0.002 0.000 0.236 482 I C 2.666 178.547 176.117 -0.393 0.000 1.064 482 I CA 1.265 62.394 61.300 -0.286 0.000 1.324 482 I CB -0.599 37.269 38.000 -0.220 0.000 1.044 482 I HN 0.290 nan 8.210 nan 0.000 0.399 483 Q N 0.807 120.259 119.800 -0.579 0.000 2.103 483 Q HA -0.320 4.021 4.340 0.002 0.000 0.213 483 Q C 1.914 177.539 176.000 -0.624 0.000 1.008 483 Q CA 2.029 57.386 55.803 -0.744 0.000 0.879 483 Q CB -1.266 26.608 28.738 -1.441 0.000 0.946 483 Q HN 0.583 nan 8.270 nan 0.000 0.413 484 N N -0.094 118.163 118.700 -0.738 0.000 2.519 484 N HA -0.092 4.649 4.740 0.002 0.000 0.186 484 N C 1.230 176.633 175.510 -0.178 0.000 1.062 484 N CA 0.995 53.829 53.050 -0.360 0.000 0.910 484 N CB 0.199 38.416 38.487 -0.451 0.000 0.958 484 N HN 0.253 nan 8.380 nan 0.000 0.445 485 A N -0.505 122.188 122.820 -0.212 0.000 1.973 485 A HA 0.131 4.452 4.320 0.002 0.000 0.210 485 A C 2.294 179.854 177.584 -0.040 0.000 1.200 485 A CA 0.460 52.436 52.037 -0.101 0.000 0.707 485 A CB -0.254 18.682 19.000 -0.108 0.000 0.862 485 A HN 0.283 nan 8.150 nan 0.000 0.461 486 S N -0.023 115.635 115.700 -0.070 0.000 2.423 486 S HA -0.091 4.380 4.470 0.002 0.000 0.231 486 S C 1.778 176.410 174.600 0.053 0.000 1.014 486 S CA 1.299 59.514 58.200 0.026 0.000 0.965 486 S CB -0.303 62.883 63.200 -0.024 0.000 0.785 486 S HN 0.516 nan 8.310 nan 0.000 0.495 487 L N 1.248 122.464 121.223 -0.011 0.000 2.179 487 L HA 0.013 4.354 4.340 0.002 0.000 0.208 487 L C 2.154 179.055 176.870 0.051 0.000 1.096 487 L CA 1.257 56.115 54.840 0.029 0.000 0.779 487 L CB -0.221 41.854 42.059 0.025 0.000 0.922 487 L HN 0.091 nan 8.230 nan 0.000 0.443 488 K N 0.659 121.080 120.400 0.036 0.000 1.991 488 K HA -0.169 4.152 4.320 0.002 0.000 0.212 488 K C 1.975 178.589 176.600 0.024 0.000 1.049 488 K CA 2.047 58.352 56.287 0.029 0.000 0.932 488 K CB -0.742 31.761 32.500 0.005 0.000 0.717 488 K HN 0.354 nan 8.250 nan 0.000 0.441 489 A N 1.086 123.935 122.820 0.048 0.000 1.869 489 A HA -0.203 4.118 4.320 0.002 0.000 0.218 489 A C 2.373 179.942 177.584 -0.026 0.000 1.203 489 A CA 2.151 54.199 52.037 0.017 0.000 0.638 489 A CB -1.145 18.008 19.000 0.256 0.000 0.831 489 A HN 0.397 nan 8.150 nan 0.000 0.450 490 L N -1.069 120.212 121.223 0.097 0.000 2.089 490 L HA -0.256 4.085 4.340 0.002 0.000 0.213 490 L C 2.673 179.521 176.870 -0.037 0.000 1.079 490 L CA 1.460 56.331 54.840 0.052 0.000 0.758 490 L CB -0.439 41.645 42.059 0.042 0.000 0.891 490 L HN 0.445 nan 8.230 nan 0.000 0.433 491 L N -1.715 119.499 121.223 -0.015 0.000 2.056 491 L HA -0.251 4.089 4.340 0.002 0.000 0.207 491 L C 2.349 179.165 176.870 -0.090 0.000 1.078 491 L CA 1.364 56.191 54.840 -0.022 0.000 0.749 491 L CB -0.419 41.661 42.059 0.036 0.000 0.901 491 L HN 0.438 nan 8.230 nan 0.000 0.433 492 W N 0.132 121.235 121.300 -0.328 0.000 2.388 492 W HA -0.217 4.444 4.660 0.001 0.000 0.294 492 W C 2.082 178.160 176.519 -0.735 0.000 1.212 492 W CA 1.251 58.310 57.345 -0.477 0.000 1.271 492 W CB -0.544 28.577 29.460 -0.565 0.000 1.126 492 W HN 0.029 nan 8.180 nan 0.000 0.535 493 F N 0.379 119.802 119.950 -0.879 0.000 2.202 493 F HA -0.251 4.277 4.527 0.002 0.000 0.301 493 F C 2.621 177.751 175.800 -1.117 0.000 1.082 493 F CA 1.608 58.770 58.000 -1.397 0.000 1.313 493 F CB -0.880 37.524 39.000 -0.993 0.000 1.024 493 F HN -0.303 nan 8.300 nan 0.000 0.495 494 S N -0.360 115.107 115.700 -0.388 0.000 2.537 494 S HA -0.154 4.316 4.470 0.002 0.000 0.240 494 S C 1.628 176.104 174.600 -0.207 0.000 0.981 494 S CA 0.789 58.912 58.200 -0.129 0.000 0.948 494 S CB -0.319 62.859 63.200 -0.038 0.000 0.759 494 S HN 0.357 nan 8.310 nan 0.000 0.531 495 K N 0.126 120.266 120.400 -0.434 0.000 2.439 495 K HA 0.084 4.405 4.320 0.002 0.000 0.197 495 K C 1.003 177.584 176.600 -0.031 0.000 1.041 495 K CA 0.726 56.900 56.287 -0.189 0.000 0.970 495 K CB -0.089 32.315 32.500 -0.162 0.000 0.773 495 K HN 0.502 nan 8.250 nan 0.000 0.479 496 F N -0.249 119.190 119.950 -0.852 0.000 2.698 496 F HA 0.147 4.675 4.527 0.001 0.000 0.295 496 F C 0.324 175.498 175.800 -1.042 0.000 1.124 496 F CA -0.499 56.644 58.000 -1.429 0.000 1.426 496 F CB 0.350 37.698 39.000 -2.753 0.000 1.120 496 F HN -0.150 nan 8.300 nan 0.000 0.583 497 F N -0.211 119.784 119.950 0.075 0.000 2.613 497 F HA 0.699 5.227 4.527 0.001 0.000 0.314 497 F C -0.309 175.532 175.800 0.069 0.000 1.075 497 F CA -1.616 56.452 58.000 0.113 0.000 0.945 497 F CB 1.317 40.387 39.000 0.117 0.000 1.310 497 F HN -0.353 nan 8.300 nan 0.000 0.467 498 A N 1.451 124.428 122.820 0.261 0.000 2.466 498 A HA 0.689 5.010 4.320 0.002 0.000 0.291 498 A C -1.711 175.958 177.584 0.141 0.000 1.234 498 A CA -0.536 51.597 52.037 0.160 0.000 0.752 498 A CB 0.383 19.451 19.000 0.114 0.000 1.153 498 A HN 0.642 nan 8.150 nan 0.000 0.458 499 D N 1.692 122.168 120.400 0.126 0.000 2.575 499 D HA 0.441 5.082 4.640 0.002 0.000 0.236 499 D C 0.832 177.182 176.300 0.083 0.000 1.075 499 D CA -0.402 53.657 54.000 0.099 0.000 0.860 499 D CB 1.753 42.609 40.800 0.093 0.000 1.475 499 D HN 0.547 nan 8.370 nan 0.000 0.474 521 P HA 0.244 nan 4.420 nan 0.000 0.239 521 P C -0.190 177.199 177.300 0.149 0.000 1.188 521 P CA 0.388 63.569 63.100 0.134 0.000 0.794 521 P CB 0.267 32.078 31.700 0.184 0.000 0.937 522 N N -0.568 118.241 118.700 0.182 0.000 2.815 522 N HA 0.369 5.110 4.740 0.002 0.000 0.315 522 N C -1.015 174.594 175.510 0.165 0.000 1.320 522 N CA -0.570 52.596 53.050 0.194 0.000 0.846 522 N CB 1.796 40.456 38.487 0.288 0.000 1.344 522 N HN -0.315 nan 8.380 nan 0.000 0.593 523 V N 1.469 121.487 119.914 0.174 0.000 2.448 523 V HA 0.619 4.740 4.120 0.002 0.000 0.295 523 V C -1.191 175.055 176.094 0.254 0.000 1.025 523 V CA -0.640 61.730 62.300 0.116 0.000 0.859 523 V CB 0.398 32.249 31.823 0.047 0.000 0.988 523 V HN 0.656 nan 8.190 nan 0.000 0.431 524 F N 2.703 122.636 119.950 -0.028 0.000 2.881 524 F HA 0.847 5.375 4.527 0.001 0.000 0.348 524 F C -0.416 175.406 175.800 0.037 0.000 1.240 524 F CA -0.905 57.155 58.000 0.101 0.000 1.130 524 F CB 0.560 39.595 39.000 0.058 0.000 1.417 524 F HN 0.550 nan 8.300 nan 0.000 0.585 525 A N 3.012 125.818 122.820 -0.023 0.000 2.276 525 A HA 0.879 5.200 4.320 0.002 0.000 0.316 525 A C 0.035 177.461 177.584 -0.263 0.000 1.229 525 A CA -0.290 51.631 52.037 -0.193 0.000 0.851 525 A CB 0.657 19.596 19.000 -0.101 0.000 1.165 525 A HN 1.534 nan 8.150 nan 0.000 0.513 526 A N 3.752 126.442 122.820 -0.216 0.000 2.388 526 A HA 0.616 4.937 4.320 0.002 0.000 0.257 526 A C -1.321 176.133 177.584 -0.216 0.000 1.095 526 A CA -1.009 50.911 52.037 -0.195 0.000 0.791 526 A CB 0.007 18.966 19.000 -0.069 0.000 1.029 526 A HN 0.668 nan 8.150 nan 0.000 0.489 527 P HA 0.199 nan 4.420 nan 0.000 0.272 527 P C -1.966 175.309 177.300 -0.041 0.000 1.276 527 P CA 0.073 63.090 63.100 -0.139 0.000 0.871 527 P CB -0.306 31.296 31.700 -0.163 0.000 1.313 536 S N 0.086 115.780 115.700 -0.010 0.000 2.745 536 S HA 0.538 5.009 4.470 0.002 0.000 0.283 536 S C -0.537 174.056 174.600 -0.012 0.000 1.170 536 S CA -0.602 57.600 58.200 0.003 0.000 1.119 536 S CB 1.229 64.435 63.200 0.010 0.000 1.035 536 S HN 0.676 nan 8.310 nan 0.000 0.483 537 E N 2.866 123.053 120.200 -0.022 0.000 2.328 537 E HA 0.267 4.618 4.350 0.002 0.000 0.265 537 E C -0.506 176.093 176.600 -0.002 0.000 1.057 537 E CA -0.042 56.333 56.400 -0.041 0.000 0.916 537 E CB 0.302 29.931 29.700 -0.119 0.000 0.993 537 E HN 0.726 nan 8.360 nan 0.000 0.446 538 S N 4.117 119.846 115.700 0.049 0.000 2.756 538 S HA 0.360 4.831 4.470 0.002 0.000 0.303 538 S C -0.460 174.196 174.600 0.093 0.000 1.135 538 S CA -1.109 57.124 58.200 0.056 0.000 1.066 538 S CB 1.538 64.768 63.200 0.050 0.000 1.008 538 S HN 0.499 nan 8.310 nan 0.000 0.482 548 K N 0.362 120.765 120.400 0.005 0.000 2.350 548 K HA 0.208 4.528 4.320 0.002 0.000 0.196 548 K C 1.689 178.293 176.600 0.007 0.000 1.084 548 K CA 0.878 57.167 56.287 0.004 0.000 0.967 548 K CB 0.055 32.557 32.500 0.002 0.000 0.950 548 K HN 0.318 nan 8.250 nan 0.000 0.512 549 R N 0.038 120.543 120.500 0.008 0.000 2.057 549 R HA 0.072 4.413 4.340 0.002 0.000 0.224 549 R C 2.303 178.611 176.300 0.013 0.000 1.136 549 R CA 1.228 57.334 56.100 0.010 0.000 0.968 549 R CB -0.336 29.970 30.300 0.010 0.000 0.863 549 R HN 0.177 nan 8.270 nan 0.000 0.433 550 V N 1.136 121.058 119.914 0.013 0.000 2.346 550 V HA -0.169 3.952 4.120 0.002 0.000 0.244 550 V C 2.166 178.270 176.094 0.018 0.000 1.037 550 V CA 1.648 63.957 62.300 0.016 0.000 1.029 550 V CB -0.355 31.477 31.823 0.016 0.000 0.663 550 V HN 0.306 nan 8.190 nan 0.000 0.454 551 Q N -0.459 119.351 119.800 0.016 0.000 2.107 551 Q HA 0.086 4.427 4.340 0.002 0.000 0.195 551 Q C 1.060 177.069 176.000 0.015 0.000 0.964 551 Q CA 0.410 56.223 55.803 0.017 0.000 0.833 551 Q CB 0.063 28.811 28.738 0.017 0.000 0.910 551 Q HN 0.430 nan 8.270 nan 0.000 0.465 552 S N 1.118 116.824 115.700 0.010 0.000 2.515 552 S HA 0.120 4.591 4.470 0.002 0.000 0.285 552 S C 0.179 174.786 174.600 0.011 0.000 1.265 552 S CA -0.053 58.150 58.200 0.006 0.000 1.079 552 S CB 0.082 63.284 63.200 0.003 0.000 0.877 552 S HN 0.134 nan 8.310 nan 0.000 0.493 553 I N 2.335 122.913 120.570 0.013 0.000 2.970 553 I HA 0.172 4.343 4.170 0.002 0.000 0.310 553 I C 1.049 177.176 176.117 0.016 0.000 1.010 553 I CA -0.618 60.692 61.300 0.017 0.000 1.228 553 I CB 0.682 38.695 38.000 0.022 0.000 1.433 553 I HN 0.394 nan 8.210 nan 0.000 0.573 554 T N 2.441 117.006 114.554 0.019 0.000 2.860 554 T HA 0.049 4.399 4.350 0.002 0.000 0.299 554 T C 1.174 175.887 174.700 0.022 0.000 1.045 554 T CA -0.439 61.673 62.100 0.020 0.000 1.071 554 T CB 0.439 69.321 68.868 0.023 0.000 0.985 554 T HN 0.492 nan 8.240 nan 0.000 0.537 555 N N 1.896 120.611 118.700 0.025 0.000 2.084 555 N HA -0.083 4.658 4.740 0.002 0.000 0.190 555 N C 2.206 177.732 175.510 0.027 0.000 1.030 555 N CA 1.258 54.325 53.050 0.028 0.000 0.849 555 N CB -0.636 37.874 38.487 0.039 0.000 1.012 555 N HN 0.789 nan 8.380 nan 0.000 0.423 556 G N 0.480 109.299 108.800 0.031 0.000 2.559 556 G HA2 -0.104 3.857 3.960 0.002 0.000 0.216 556 G HA3 -0.104 3.857 3.960 0.002 0.000 0.216 556 G C 0.590 175.506 174.900 0.025 0.000 1.126 556 G CA 0.149 45.267 45.100 0.031 0.000 0.778 556 G HN 0.173 nan 8.290 nan 0.000 0.543 557 S N -0.819 114.896 115.700 0.024 0.000 2.579 557 S HA 0.334 4.805 4.470 0.002 0.000 0.275 557 S C -0.054 174.560 174.600 0.024 0.000 1.345 557 S CA -0.328 57.887 58.200 0.024 0.000 1.031 557 S CB 1.944 65.159 63.200 0.026 0.000 0.892 557 S HN -0.005 nan 8.310 nan 0.000 0.529 558 V N 3.860 123.788 119.914 0.023 0.000 2.313 558 V HA 0.267 4.388 4.120 0.002 0.000 0.278 558 V C -0.128 175.983 176.094 0.028 0.000 1.017 558 V CA -0.619 61.693 62.300 0.021 0.000 0.823 558 V CB 1.205 33.030 31.823 0.003 0.000 1.010 558 V HN 0.662 nan 8.190 nan 0.000 0.443 559 V N 3.736 123.684 119.914 0.057 0.000 2.546 559 V HA 0.341 4.462 4.120 0.002 0.000 0.284 559 V C 0.644 176.763 176.094 0.042 0.000 1.050 559 V CA -0.034 62.307 62.300 0.068 0.000 0.981 559 V CB 1.776 33.667 31.823 0.114 0.000 0.990 559 V HN 0.815 nan 8.190 nan 0.000 0.474 560 S N 5.475 121.192 115.700 0.028 0.000 2.528 560 S HA 0.626 5.097 4.470 0.002 0.000 0.303 560 S C -0.510 174.113 174.600 0.040 0.000 1.123 560 S CA -0.654 57.543 58.200 -0.004 0.000 1.138 560 S CB -0.328 62.864 63.200 -0.013 0.000 0.984 560 S HN 0.586 nan 8.310 nan 0.000 0.474 561 I N 1.644 122.258 120.570 0.072 0.000 2.693 561 I HA 0.729 4.900 4.170 0.002 0.000 0.303 561 I C -0.344 175.855 176.117 0.137 0.000 1.025 561 I CA -1.156 60.224 61.300 0.134 0.000 1.086 561 I CB 1.724 39.857 38.000 0.222 0.000 1.268 561 I HN 0.499 nan 8.210 nan 0.000 0.440 562 C N 6.705 126.080 119.300 0.124 0.000 2.264 562 C HA 0.699 5.160 4.460 0.002 0.000 0.322 562 C C -0.082 174.974 174.990 0.111 0.000 1.210 562 C CA -0.501 58.558 59.018 0.068 0.000 1.539 562 C CB -0.841 26.918 27.740 0.031 0.000 2.167 562 C HN 0.819 nan 8.230 nan 0.000 0.463 563 Y N 3.604 123.938 120.300 0.057 0.000 2.618 563 Y HA 0.871 5.421 4.550 0.001 0.000 0.326 563 Y C -0.114 175.788 175.900 0.003 0.000 1.168 563 Y CA -0.643 57.479 58.100 0.037 0.000 1.269 563 Y CB 1.221 39.722 38.460 0.069 0.000 1.388 563 Y HN 0.736 nan 8.280 nan 0.000 0.528 564 S N 1.646 117.388 115.700 0.070 0.000 2.392 564 S HA 0.363 4.834 4.470 0.002 0.000 0.246 564 S C -1.987 172.610 174.600 -0.004 0.000 0.999 564 S CA -0.737 57.432 58.200 -0.051 0.000 1.059 564 S CB 0.342 63.508 63.200 -0.058 0.000 1.194 564 S HN 0.915 nan 8.310 nan 0.000 0.421 565 L N 2.622 123.844 121.223 -0.001 0.000 2.292 565 L HA 0.844 5.184 4.340 0.002 0.000 0.284 565 L C -0.087 176.681 176.870 -0.170 0.000 1.065 565 L CA 0.438 55.154 54.840 -0.208 0.000 0.806 565 L CB 1.629 43.501 42.059 -0.313 0.000 1.175 565 L HN 0.869 nan 8.230 nan 0.000 0.431 566 S N 4.637 120.222 115.700 -0.193 0.000 2.521 566 S HA 0.738 5.209 4.470 0.002 0.000 0.295 566 S C -1.289 173.242 174.600 -0.114 0.000 1.098 566 S CA -0.644 57.485 58.200 -0.119 0.000 0.999 566 S CB 1.162 64.316 63.200 -0.076 0.000 1.034 566 S HN 0.643 nan 8.310 nan 0.000 0.483 567 L N 4.375 125.549 121.223 -0.081 0.000 2.346 567 L HA 0.997 5.338 4.340 0.002 0.000 0.276 567 L C -0.443 176.402 176.870 -0.041 0.000 1.006 567 L CA 0.233 55.036 54.840 -0.061 0.000 0.817 567 L CB 1.307 43.331 42.059 -0.058 0.000 1.272 567 L HN 0.972 nan 8.230 nan 0.000 0.421 568 A N 3.174 125.976 122.820 -0.030 0.000 2.522 568 A HA 0.561 4.882 4.320 0.002 0.000 0.291 568 A C -1.691 175.881 177.584 -0.020 0.000 1.039 568 A CA -0.569 51.453 52.037 -0.025 0.000 0.643 568 A CB 0.531 19.517 19.000 -0.023 0.000 1.310 568 A HN 0.444 nan 8.150 nan 0.000 0.436 569 V N 2.054 121.954 119.914 -0.024 0.000 2.439 569 V HA 0.282 4.403 4.120 0.002 0.000 0.271 569 V C -0.007 176.071 176.094 -0.026 0.000 1.040 569 V CA 0.623 62.907 62.300 -0.028 0.000 1.002 569 V CB 0.731 32.529 31.823 -0.040 0.000 1.000 569 V HN 0.868 nan 8.190 nan 0.000 0.477 570 D N 4.607 124.999 120.400 -0.014 0.000 2.626 570 D HA 0.138 4.779 4.640 0.002 0.000 0.274 570 D C -1.613 174.691 176.300 0.006 0.000 1.045 570 D CA 0.421 54.422 54.000 0.002 0.000 0.925 570 D CB -0.421 40.391 40.800 0.021 0.000 1.260 570 D HN 0.440 nan 8.370 nan 0.000 0.490 571 P HA 0.088 nan 4.420 nan 0.000 0.235 571 P C 0.296 177.572 177.300 -0.039 0.000 1.720 571 P CA 0.326 63.437 63.100 0.018 0.000 1.003 571 P CB -0.345 31.367 31.700 0.020 0.000 1.968 572 E N -0.071 120.063 120.200 -0.110 0.000 2.209 572 E HA -0.168 4.183 4.350 0.002 0.000 0.196 572 E C 0.068 176.303 176.600 -0.608 0.000 0.993 572 E CA 1.299 57.453 56.400 -0.410 0.000 0.819 572 E CB -0.263 29.058 29.700 -0.632 0.000 0.745 572 E HN 0.497 nan 8.360 nan 0.000 0.477 600 S N 1.488 117.181 115.700 -0.012 0.000 2.584 600 S HA -0.054 4.417 4.470 0.002 0.000 0.240 600 S C 1.772 176.360 174.600 -0.019 0.000 0.975 600 S CA 1.476 59.666 58.200 -0.015 0.000 0.949 600 S CB -0.569 62.622 63.200 -0.016 0.000 0.761 600 S HN 0.503 nan 8.310 nan 0.000 0.536 601 S N -0.378 115.312 115.700 -0.016 0.000 2.527 601 S HA 0.397 4.868 4.470 0.002 0.000 0.227 601 S C 0.254 174.845 174.600 -0.015 0.000 1.059 601 S CA -0.116 58.075 58.200 -0.017 0.000 0.919 601 S CB 0.252 63.445 63.200 -0.012 0.000 0.805 601 S HN 0.305 nan 8.310 nan 0.000 0.500 602 V N 1.564 121.469 119.914 -0.015 0.000 2.653 602 V HA 0.510 4.631 4.120 0.002 0.000 0.298 602 V C -1.389 174.692 176.094 -0.021 0.000 1.097 602 V CA -0.506 61.783 62.300 -0.017 0.000 0.908 602 V CB 1.732 33.548 31.823 -0.011 0.000 1.024 602 V HN 0.471 nan 8.190 nan 0.000 0.435 603 E N 6.844 127.027 120.200 -0.027 0.000 2.224 603 E HA 0.548 4.899 4.350 0.002 0.000 0.265 603 E C -2.744 173.833 176.600 -0.038 0.000 0.878 603 E CA -2.184 54.199 56.400 -0.029 0.000 0.759 603 E CB 3.068 32.752 29.700 -0.027 0.000 1.164 603 E HN 0.436 nan 8.360 nan 0.000 0.414 604 P HA 0.119 nan 4.420 nan 0.000 0.276 604 P C -0.059 177.215 177.300 -0.043 0.000 1.230 604 P CA 0.130 63.204 63.100 -0.044 0.000 0.776 604 P CB 1.449 33.126 31.700 -0.039 0.000 0.888 605 I N 1.458 121.998 120.570 -0.051 0.000 3.649 605 I HA 0.150 4.321 4.170 0.002 0.000 0.234 605 I C 1.176 177.280 176.117 -0.021 0.000 1.053 605 I CA 0.398 61.673 61.300 -0.042 0.000 1.538 605 I CB 0.067 38.031 38.000 -0.061 0.000 1.445 605 I HN 0.411 nan 8.210 nan 0.000 0.464 606 E N 1.318 121.519 120.200 0.000 0.000 2.317 606 E HA 0.518 4.869 4.350 0.002 0.000 0.270 606 E C -1.313 175.304 176.600 0.029 0.000 0.885 606 E CA -0.605 55.819 56.400 0.040 0.000 0.760 606 E CB 2.487 32.254 29.700 0.112 0.000 1.227 606 E HN 0.213 nan 8.360 nan 0.000 0.434 607 S N 2.804 118.427 115.700 -0.128 0.000 2.566 607 S HA 0.471 4.942 4.470 0.002 0.000 0.273 607 S C -1.249 173.025 174.600 -0.544 0.000 1.157 607 S CA -1.048 56.880 58.200 -0.452 0.000 0.938 607 S CB 1.356 64.396 63.200 -0.266 0.000 1.087 607 S HN 0.515 nan 8.310 nan 0.000 0.474 608 N N 1.513 119.622 118.700 -0.985 0.000 2.321 608 N HA 0.297 5.038 4.740 0.002 0.000 0.299 608 N C 0.691 175.989 175.510 -0.354 0.000 1.048 608 N CA -0.546 52.210 53.050 -0.489 0.000 0.836 608 N CB 2.047 40.371 38.487 -0.272 0.000 1.269 608 N HN 0.939 nan 8.380 nan 0.000 0.486 609 E N 0.324 120.411 120.200 -0.189 0.000 2.442 609 E HA 0.042 4.393 4.350 0.002 0.000 0.195 609 E C -0.355 176.198 176.600 -0.078 0.000 1.030 609 E CA 0.714 57.041 56.400 -0.121 0.000 0.869 609 E CB 0.910 30.559 29.700 -0.086 0.000 0.857 609 E HN 0.390 nan 8.360 nan 0.000 0.505 610 E N 0.728 120.878 120.200 -0.083 0.000 2.406 610 E HA 0.387 4.738 4.350 0.002 0.000 0.297 610 E C -1.767 174.779 176.600 -0.090 0.000 0.917 610 E CA -0.387 55.975 56.400 -0.063 0.000 0.795 610 E CB 1.585 31.252 29.700 -0.056 0.000 1.285 610 E HN 0.154 nan 8.360 nan 0.000 0.400 611 I N 2.643 123.144 120.570 -0.115 0.000 2.787 611 I HA 0.201 4.372 4.170 0.002 0.000 0.294 611 I C -0.911 174.966 176.117 -0.401 0.000 1.365 611 I CA -0.558 60.583 61.300 -0.265 0.000 1.029 611 I CB 2.438 40.265 38.000 -0.288 0.000 1.313 611 I HN 0.394 nan 8.210 nan 0.000 0.431 612 E N 5.357 125.273 120.200 -0.473 0.000 2.179 612 E HA 0.608 4.959 4.350 0.002 0.000 0.275 612 E C -1.645 174.635 176.600 -0.534 0.000 0.945 612 E CA -0.440 55.735 56.400 -0.376 0.000 0.792 612 E CB 2.139 31.723 29.700 -0.193 0.000 1.125 612 E HN 0.238 nan 8.360 nan 0.000 0.397 613 F N 1.000 120.927 119.950 -0.039 0.000 2.547 613 F HA 0.254 4.782 4.527 0.002 0.000 0.316 613 F C 0.578 176.333 175.800 -0.074 0.000 1.121 613 F CA -1.081 56.879 58.000 -0.066 0.000 0.911 613 F CB 1.746 40.714 39.000 -0.053 0.000 1.179 613 F HN 0.318 nan 8.300 nan 0.000 0.443 614 E N 1.054 121.310 120.200 0.092 0.000 2.415 614 E HA 0.105 4.456 4.350 0.002 0.000 0.262 614 E C 0.244 176.850 176.600 0.009 0.000 1.038 614 E CA -0.052 56.353 56.400 0.008 0.000 0.921 614 E CB 1.163 30.825 29.700 -0.063 0.000 0.950 614 E HN 0.491 nan 8.360 nan 0.000 0.438 615 V N 2.206 122.121 119.914 0.003 0.000 3.431 615 V HA 0.043 4.164 4.120 0.002 0.000 0.253 615 V C 1.545 177.628 176.094 -0.019 0.000 1.184 615 V CA 1.182 63.480 62.300 -0.004 0.000 1.104 615 V CB 0.509 32.341 31.823 0.016 0.000 0.799 615 V HN 0.861 nan 8.190 nan 0.000 0.462 616 G N 1.174 109.966 108.800 -0.014 0.000 2.411 616 G HA2 -0.059 3.902 3.960 0.002 0.000 0.213 616 G HA3 -0.059 3.902 3.960 0.002 0.000 0.213 616 G C 0.985 175.881 174.900 -0.006 0.000 1.166 616 G CA 1.111 46.220 45.100 0.015 0.000 0.802 616 G HN 0.566 nan 8.290 nan 0.000 0.533 617 T N -2.021 112.443 114.554 -0.151 0.000 2.788 617 T HA 0.476 4.827 4.350 0.002 0.000 0.280 617 T C 1.215 175.542 174.700 -0.621 0.000 0.984 617 T CA 0.026 61.798 62.100 -0.546 0.000 0.972 617 T CB 1.601 70.151 68.868 -0.530 0.000 1.039 617 T HN 0.192 nan 8.240 nan 0.000 0.530 618 G N 0.297 108.433 108.800 -1.107 0.000 3.325 618 G HA2 0.164 4.125 3.960 0.002 0.000 0.242 618 G HA3 0.164 4.125 3.960 0.002 0.000 0.242 618 G C 1.107 175.773 174.900 -0.389 0.000 1.120 618 G CA 0.098 44.887 45.100 -0.519 0.000 1.778 618 G HN 0.765 nan 8.290 nan 0.000 0.610 619 S N 0.527 116.024 115.700 -0.339 0.000 2.419 619 S HA 0.010 4.481 4.470 0.002 0.000 0.233 619 S C 1.225 175.675 174.600 -0.250 0.000 1.016 619 S CA 1.152 59.208 58.200 -0.241 0.000 0.974 619 S CB -0.316 62.813 63.200 -0.118 0.000 0.786 619 S HN 0.651 nan 8.310 nan 0.000 0.492 620 M N -0.219 119.163 119.600 -0.364 0.000 2.664 620 M HA 0.494 4.974 4.480 0.002 0.000 0.279 620 M C -0.693 175.426 176.300 -0.303 0.000 1.275 620 M CA -0.945 54.048 55.300 -0.512 0.000 0.829 620 M CB 0.884 32.851 32.600 -1.054 0.000 1.727 620 M HN -0.065 nan 8.290 nan 0.000 0.459 621 N N 1.806 120.359 118.700 -0.244 0.000 2.292 621 N HA 0.100 4.841 4.740 0.002 0.000 0.258 621 N C -2.219 173.219 175.510 -0.120 0.000 1.261 621 N CA -0.217 52.770 53.050 -0.105 0.000 0.845 621 N CB 0.646 39.132 38.487 -0.002 0.000 1.064 621 N HN 0.349 nan 8.380 nan 0.000 0.471 622 P HA -0.233 nan 4.420 nan 0.000 0.214 622 P C 0.790 177.938 177.300 -0.252 0.000 1.169 622 P CA 1.590 64.563 63.100 -0.210 0.000 0.908 622 P CB -0.089 31.440 31.700 -0.285 0.000 0.791 623 H N -1.191 117.775 119.070 -0.174 0.000 2.466 623 H HA -0.096 4.461 4.556 0.002 0.000 0.297 623 H C 1.850 176.990 175.328 -0.314 0.000 1.113 623 H CA 1.103 56.964 56.048 -0.312 0.000 1.273 623 H CB -0.649 28.925 29.762 -0.313 0.000 1.371 623 H HN 0.248 nan 8.280 nan 0.000 0.528 624 I N 0.059 120.623 120.570 -0.010 0.000 3.728 624 I HA -0.061 4.110 4.170 0.002 0.000 0.307 624 I C 2.038 178.132 176.117 -0.038 0.000 1.276 624 I CA 0.344 61.682 61.300 0.063 0.000 1.285 624 I CB 0.081 38.117 38.000 0.061 0.000 1.038 624 I HN 0.170 nan 8.210 nan 0.000 0.445 625 E N 0.823 120.958 120.200 -0.107 0.000 2.102 625 E HA -0.115 4.236 4.350 0.002 0.000 0.190 625 E C 2.320 178.869 176.600 -0.085 0.000 0.971 625 E CA 1.139 57.480 56.400 -0.097 0.000 0.821 625 E CB 0.254 29.885 29.700 -0.115 0.000 0.777 625 E HN 0.439 nan 8.360 nan 0.000 0.460 626 S N 1.411 117.035 115.700 -0.127 0.000 2.365 626 S HA -0.264 4.207 4.470 0.002 0.000 0.221 626 S C 1.861 176.407 174.600 -0.090 0.000 1.037 626 S CA 1.353 59.480 58.200 -0.120 0.000 1.060 626 S CB -0.616 62.480 63.200 -0.172 0.000 0.974 626 S HN 0.231 nan 8.310 nan 0.000 0.427 627 E N 0.859 120.992 120.200 -0.110 0.000 2.038 627 E HA -0.115 4.236 4.350 0.002 0.000 0.195 627 E C 2.278 178.879 176.600 0.001 0.000 1.000 627 E CA 1.525 57.896 56.400 -0.049 0.000 0.803 627 E CB -0.553 29.139 29.700 -0.014 0.000 0.750 627 E HN 0.412 nan 8.360 nan 0.000 0.448 628 V N 1.295 121.220 119.914 0.019 0.000 2.380 628 V HA -0.264 3.857 4.120 0.002 0.000 0.251 628 V C 2.234 178.345 176.094 0.027 0.000 1.063 628 V CA 2.169 64.494 62.300 0.042 0.000 1.055 628 V CB -0.774 31.085 31.823 0.061 0.000 0.657 628 V HN 0.341 nan 8.190 nan 0.000 0.455 629 T N 0.348 114.905 114.554 0.005 0.000 2.995 629 T HA -0.158 4.193 4.350 0.002 0.000 0.269 629 T C 1.563 176.266 174.700 0.004 0.000 1.091 629 T CA 1.330 63.432 62.100 0.003 0.000 1.128 629 T CB -0.216 68.646 68.868 -0.011 0.000 0.891 629 T HN 0.827 nan 8.240 nan 0.000 0.492 630 Q N -0.166 119.634 119.800 0.001 0.000 2.220 630 Q HA 0.324 4.665 4.340 0.002 0.000 0.205 630 Q C 0.313 176.323 176.000 0.016 0.000 0.865 630 Q CA -0.128 55.677 55.803 0.003 0.000 0.960 630 Q CB -0.073 28.659 28.738 -0.010 0.000 1.097 630 Q HN 0.405 nan 8.270 nan 0.000 0.493 631 M N 0.620 120.235 119.600 0.026 0.000 2.753 631 M HA 0.441 4.922 4.480 0.002 0.000 0.299 631 M C -0.497 175.827 176.300 0.040 0.000 1.219 631 M CA -0.650 54.672 55.300 0.038 0.000 0.900 631 M CB 2.332 34.961 32.600 0.049 0.000 1.628 631 M HN -0.138 nan 8.290 nan 0.000 0.502 632 T N 0.595 115.178 114.554 0.047 0.000 2.855 632 T HA 0.397 4.748 4.350 0.002 0.000 0.281 632 T C -0.443 174.288 174.700 0.051 0.000 1.007 632 T CA -0.714 61.413 62.100 0.045 0.000 1.009 632 T CB 1.330 70.224 68.868 0.043 0.000 0.983 632 T HN 0.375 nan 8.240 nan 0.000 0.455 633 V N 3.388 123.328 119.914 0.044 0.000 2.486 633 V HA 0.320 4.441 4.120 0.002 0.000 0.290 633 V C 1.550 177.673 176.094 0.049 0.000 0.991 633 V CA 1.800 64.127 62.300 0.046 0.000 1.142 633 V CB -0.383 31.461 31.823 0.036 0.000 0.926 633 V HN 1.314 nan 8.190 nan 0.000 0.472 634 G N 3.521 112.358 108.800 0.062 0.000 2.307 634 G HA2 -0.191 3.770 3.960 0.002 0.000 0.210 634 G HA3 -0.191 3.770 3.960 0.002 0.000 0.210 634 G C 0.283 175.238 174.900 0.092 0.000 1.005 634 G CA 0.138 45.277 45.100 0.065 0.000 0.634 634 G HN 0.711 nan 8.290 nan 0.000 0.496 635 E N -0.133 120.125 120.200 0.096 0.000 2.404 635 E HA 0.497 4.848 4.350 0.002 0.000 0.261 635 E C -0.783 175.932 176.600 0.191 0.000 1.074 635 E CA -0.649 55.825 56.400 0.124 0.000 0.917 635 E CB 0.419 30.174 29.700 0.093 0.000 0.965 635 E HN 0.403 nan 8.360 nan 0.000 0.433 636 Y N 1.456 121.787 120.300 0.052 0.000 2.499 636 Y HA 0.614 5.165 4.550 0.002 0.000 0.347 636 Y C -1.213 174.731 175.900 0.074 0.000 0.987 636 Y CA -0.438 57.699 58.100 0.060 0.000 1.044 636 Y CB 1.795 40.283 38.460 0.046 0.000 1.245 636 Y HN 0.580 nan 8.280 nan 0.000 0.461 637 A N 2.587 125.160 122.820 -0.412 0.000 2.587 637 A HA 0.803 5.124 4.320 0.002 0.000 0.293 637 A C -1.437 175.951 177.584 -0.327 0.000 1.087 637 A CA -0.240 51.679 52.037 -0.197 0.000 0.692 637 A CB 1.315 20.309 19.000 -0.010 0.000 1.291 637 A HN 1.156 nan 8.150 nan 0.000 0.407 638 S N 0.182 115.843 115.700 -0.065 0.000 2.614 638 S HA 0.811 5.282 4.470 0.002 0.000 0.275 638 S C -0.816 173.858 174.600 0.124 0.000 1.161 638 S CA -0.560 57.616 58.200 -0.039 0.000 0.969 638 S CB 0.615 63.806 63.200 -0.014 0.000 1.059 638 S HN 1.907 nan 8.310 nan 0.000 0.482 639 F N 0.366 120.335 119.950 0.031 0.000 2.643 639 F HA 0.914 5.442 4.527 0.002 0.000 0.314 639 F C -1.194 174.643 175.800 0.062 0.000 1.096 639 F CA -1.065 56.945 58.000 0.016 0.000 0.953 639 F CB 1.629 40.603 39.000 -0.043 0.000 1.345 639 F HN 0.802 nan 8.300 nan 0.000 0.468 640 K N 2.454 123.019 120.400 0.275 0.000 2.501 640 K HA 0.608 4.929 4.320 0.002 0.000 0.252 640 K C -1.675 175.026 176.600 0.169 0.000 0.934 640 K CA -0.968 55.422 56.287 0.170 0.000 0.797 640 K CB 2.275 34.829 32.500 0.091 0.000 1.270 640 K HN 0.673 nan 8.250 nan 0.000 0.431 641 M N 3.318 122.990 119.600 0.121 0.000 2.061 641 M HA 0.162 4.643 4.480 0.002 0.000 0.346 641 M C 0.392 176.711 176.300 0.033 0.000 1.112 641 M CA -0.413 54.902 55.300 0.024 0.000 1.021 641 M CB 0.741 33.300 32.600 -0.068 0.000 1.530 641 M HN 0.805 nan 8.290 nan 0.000 0.437 642 T N 2.880 117.450 114.554 0.027 0.000 2.803 642 T HA -0.021 4.330 4.350 0.002 0.000 0.269 642 T C -1.715 172.995 174.700 0.017 0.000 1.052 642 T CA 1.310 63.425 62.100 0.025 0.000 1.136 642 T CB -0.767 68.116 68.868 0.026 0.000 0.864 642 T HN 0.454 nan 8.240 nan 0.000 0.467 643 P HA 0.348 nan 4.420 nan 0.000 0.238 643 P C -2.609 174.698 177.300 0.010 0.000 1.758 643 P CA -2.159 60.947 63.100 0.010 0.000 1.142 643 P CB 0.611 32.317 31.700 0.010 0.000 1.722 644 P HA -0.213 nan 4.420 nan 0.000 0.228 644 P C 0.976 178.300 177.300 0.040 0.000 1.031 644 P CA 0.935 64.057 63.100 0.037 0.000 0.917 644 P CB 0.061 31.774 31.700 0.022 0.000 0.847 645 D N 2.826 123.248 120.400 0.037 0.000 2.228 645 D HA -0.167 4.473 4.640 0.002 0.000 0.203 645 D C 0.611 176.965 176.300 0.090 0.000 0.988 645 D CA 1.008 55.028 54.000 0.033 0.000 0.864 645 D CB -0.151 40.599 40.800 -0.084 0.000 0.928 645 D HN 0.334 nan 8.370 nan 0.000 0.469 646 A N 0.357 123.236 122.820 0.098 0.000 2.282 646 A HA 0.635 4.956 4.320 0.002 0.000 0.319 646 A C 0.281 177.898 177.584 0.054 0.000 1.121 646 A CA -0.133 51.954 52.037 0.083 0.000 0.836 646 A CB 1.044 20.091 19.000 0.079 0.000 1.146 646 A HN 0.338 nan 8.150 nan 0.000 0.494 647 A N 0.365 123.217 122.820 0.053 0.000 2.483 647 A HA 0.340 4.661 4.320 0.002 0.000 0.238 647 A C 1.030 178.626 177.584 0.021 0.000 1.070 647 A CA -0.074 51.990 52.037 0.044 0.000 0.770 647 A CB 0.033 19.068 19.000 0.059 0.000 1.008 647 A HN 0.850 nan 8.150 nan 0.000 0.497 648 E N 1.529 121.734 120.200 0.008 0.000 2.118 648 E HA -0.237 4.114 4.350 0.002 0.000 0.195 648 E C 2.254 178.801 176.600 -0.088 0.000 0.992 648 E CA 1.555 57.932 56.400 -0.039 0.000 0.804 648 E CB -0.578 29.102 29.700 -0.032 0.000 0.741 648 E HN 0.791 nan 8.360 nan 0.000 0.458 649 A N 1.227 124.045 122.820 -0.004 0.000 1.940 649 A HA -0.131 4.189 4.320 0.002 0.000 0.219 649 A C 2.331 179.937 177.584 0.036 0.000 1.176 649 A CA 1.043 53.124 52.037 0.074 0.000 0.631 649 A CB -0.593 18.514 19.000 0.177 0.000 0.814 649 A HN 0.184 nan 8.150 nan 0.000 0.446 650 L N -0.814 120.424 121.223 0.026 0.000 2.313 650 L HA -0.019 4.322 4.340 0.002 0.000 0.214 650 L C 2.184 179.049 176.870 -0.009 0.000 1.119 650 L CA 0.625 55.480 54.840 0.024 0.000 0.809 650 L CB -0.269 41.811 42.059 0.036 0.000 0.933 650 L HN 0.400 nan 8.230 nan 0.000 0.449 651 I N -0.676 119.869 120.570 -0.042 0.000 2.584 651 I HA -0.208 3.963 4.170 0.002 0.000 0.255 651 I C 2.156 178.218 176.117 -0.093 0.000 1.145 651 I CA 0.821 62.085 61.300 -0.060 0.000 1.462 651 I CB 0.008 37.971 38.000 -0.061 0.000 1.102 651 I HN 0.186 nan 8.210 nan 0.000 0.433 652 L N 0.638 121.756 121.223 -0.176 0.000 2.240 652 L HA -0.031 4.310 4.340 0.002 0.000 0.211 652 L C 2.700 179.510 176.870 -0.099 0.000 1.106 652 L CA 0.786 55.479 54.840 -0.246 0.000 0.793 652 L CB -0.550 41.099 42.059 -0.683 0.000 0.927 652 L HN 0.194 nan 8.230 nan 0.000 0.446 653 A N -0.543 122.263 122.820 -0.023 0.000 2.066 653 A HA -0.014 4.307 4.320 0.002 0.000 0.218 653 A C 2.066 179.673 177.584 0.039 0.000 1.157 653 A CA 1.054 53.128 52.037 0.062 0.000 0.670 653 A CB -0.185 18.866 19.000 0.085 0.000 0.804 653 A HN 0.236 nan 8.150 nan 0.000 0.453 654 V N -0.885 119.037 119.914 0.012 0.000 3.523 654 V HA 0.165 4.286 4.120 0.002 0.000 0.255 654 V C 1.510 177.606 176.094 0.003 0.000 1.226 654 V CA 0.441 62.749 62.300 0.013 0.000 1.092 654 V CB -0.347 31.484 31.823 0.014 0.000 0.817 654 V HN 0.479 nan 8.190 nan 0.000 0.458 655 G N 0.774 109.567 108.800 -0.012 0.000 2.378 655 G HA2 0.309 4.270 3.960 0.002 0.000 0.255 655 G HA3 0.309 4.270 3.960 0.002 0.000 0.255 655 G C 0.972 175.871 174.900 -0.001 0.000 1.270 655 G CA 0.603 45.693 45.100 -0.016 0.000 0.876 655 G HN 0.425 nan 8.290 nan 0.000 0.521 656 S N 0.582 116.282 115.700 -0.000 0.000 2.501 656 S HA 0.017 4.488 4.470 0.002 0.000 0.220 656 S C 0.739 175.345 174.600 0.010 0.000 0.997 656 S CA 0.463 58.668 58.200 0.009 0.000 0.919 656 S CB 0.424 63.626 63.200 0.004 0.000 0.778 656 S HN 0.487 nan 8.310 nan 0.000 0.523 657 D N 1.740 122.142 120.400 0.003 0.000 2.551 657 D HA 0.285 4.926 4.640 0.002 0.000 0.294 657 D C 0.451 176.752 176.300 0.002 0.000 1.201 657 D CA -0.065 53.938 54.000 0.004 0.000 0.941 657 D CB 0.602 41.401 40.800 -0.001 0.000 0.995 657 D HN 0.139 nan 8.370 nan 0.000 0.502 658 T N -0.296 114.264 114.554 0.011 0.000 2.778 658 T HA -0.135 4.216 4.350 0.002 0.000 0.269 658 T C 2.017 176.720 174.700 0.005 0.000 1.050 658 T CA 1.057 63.160 62.100 0.005 0.000 1.137 658 T CB 0.222 69.112 68.868 0.037 0.000 0.860 658 T HN 0.240 nan 8.240 nan 0.000 0.468 659 V N 1.009 120.932 119.914 0.016 0.000 2.591 659 V HA -0.044 4.076 4.120 0.002 0.000 0.249 659 V C 2.550 178.647 176.094 0.004 0.000 1.053 659 V CA 1.182 63.492 62.300 0.016 0.000 1.068 659 V CB -0.578 31.259 31.823 0.023 0.000 0.689 659 V HN 0.379 nan 8.190 nan 0.000 0.462 660 R N -0.070 120.429 120.500 -0.001 0.000 2.092 660 R HA 0.014 4.355 4.340 0.002 0.000 0.231 660 R C 2.260 178.551 176.300 -0.015 0.000 1.119 660 R CA 1.362 57.458 56.100 -0.007 0.000 0.970 660 R CB -0.332 29.963 30.300 -0.008 0.000 0.864 660 R HN 0.442 nan 8.270 nan 0.000 0.440 661 I N 0.451 121.008 120.570 -0.021 0.000 2.226 661 I HA -0.271 3.900 4.170 0.002 0.000 0.245 661 I C 2.383 178.480 176.117 -0.034 0.000 1.100 661 I CA 1.340 62.619 61.300 -0.035 0.000 1.374 661 I CB -0.277 37.692 38.000 -0.052 0.000 1.057 661 I HN 0.110 nan 8.210 nan 0.000 0.413 662 R N 0.069 120.552 120.500 -0.027 0.000 2.105 662 R HA -0.170 4.171 4.340 0.002 0.000 0.239 662 R C 2.552 178.848 176.300 -0.007 0.000 1.135 662 R CA 1.704 57.794 56.100 -0.016 0.000 0.967 662 R CB -0.405 29.897 30.300 0.004 0.000 0.861 662 R HN 0.300 nan 8.270 nan 0.000 0.442 663 S N 0.649 116.346 115.700 -0.006 0.000 2.371 663 S HA 0.009 4.480 4.470 0.002 0.000 0.224 663 S C 1.931 176.525 174.600 -0.010 0.000 1.029 663 S CA 0.618 58.815 58.200 -0.004 0.000 0.978 663 S CB -0.009 63.190 63.200 -0.003 0.000 0.833 663 S HN 0.202 nan 8.310 nan 0.000 0.466 664 L N 1.162 122.376 121.223 -0.015 0.000 2.141 664 L HA -0.032 4.309 4.340 0.002 0.000 0.209 664 L C 2.250 179.109 176.870 -0.017 0.000 1.094 664 L CA 0.856 55.685 54.840 -0.018 0.000 0.763 664 L CB -0.484 41.562 42.059 -0.023 0.000 0.908 664 L HN 0.356 nan 8.230 nan 0.000 0.437 665 L N -0.683 120.529 121.223 -0.018 0.000 2.156 665 L HA -0.128 4.213 4.340 0.002 0.000 0.208 665 L C 2.852 179.718 176.870 -0.006 0.000 1.095 665 L CA 1.233 56.064 54.840 -0.015 0.000 0.770 665 L CB -0.546 41.500 42.059 -0.023 0.000 0.914 665 L HN 0.365 nan 8.230 nan 0.000 0.439 666 S N -0.292 115.405 115.700 -0.004 0.000 2.371 666 S HA -0.121 4.350 4.470 0.002 0.000 0.224 666 S C 0.907 175.506 174.600 -0.001 0.000 1.029 666 S CA 0.224 58.425 58.200 0.002 0.000 0.978 666 S CB -0.452 62.751 63.200 0.005 0.000 0.833 666 S HN 0.593 nan 8.310 nan 0.000 0.466 667 E N 1.166 121.363 120.200 -0.006 0.000 2.330 667 E HA 0.315 4.666 4.350 0.002 0.000 0.256 667 E C -0.840 175.754 176.600 -0.011 0.000 1.146 667 E CA -1.184 55.209 56.400 -0.010 0.000 0.945 667 E CB 0.448 30.139 29.700 -0.017 0.000 1.182 667 E HN 0.147 nan 8.360 nan 0.000 0.480 668 R N 1.363 121.854 120.500 -0.015 0.000 2.513 668 R HA 0.066 4.407 4.340 0.002 0.000 0.333 668 R C -1.909 174.383 176.300 -0.013 0.000 0.925 668 R CA -0.597 55.495 56.100 -0.013 0.000 1.072 668 R CB -0.507 29.782 30.300 -0.018 0.000 0.914 668 R HN 0.412 nan 8.270 nan 0.000 0.408 669 P HA 0.285 nan 4.420 nan 0.000 0.290 669 P C -0.933 176.367 177.300 -0.000 0.000 1.283 669 P CA -0.765 62.331 63.100 -0.007 0.000 0.869 669 P CB 1.762 33.458 31.700 -0.007 0.000 1.100 670 C N 3.124 122.424 119.300 -0.000 0.000 2.811 670 C HA 0.539 5.000 4.460 0.002 0.000 0.352 670 C C -1.206 173.789 174.990 0.009 0.000 1.098 670 C CA -0.588 58.437 59.018 0.012 0.000 1.295 670 C CB 0.092 27.840 27.740 0.014 0.000 1.758 670 C HN 0.484 nan 8.230 nan 0.000 0.488 671 L N 5.922 127.167 121.223 0.038 0.000 2.289 671 L HA 0.505 4.846 4.340 0.002 0.000 0.285 671 L C -0.325 176.570 176.870 0.041 0.000 1.049 671 L CA -0.136 54.720 54.840 0.027 0.000 0.804 671 L CB 1.145 43.281 42.059 0.128 0.000 1.195 671 L HN 0.694 nan 8.230 nan 0.000 0.428 672 N N 3.573 122.227 118.700 -0.077 0.000 2.476 672 N HA 0.268 5.009 4.740 0.002 0.000 0.257 672 N C -1.373 174.002 175.510 -0.225 0.000 0.970 672 N CA -0.444 52.555 53.050 -0.085 0.000 0.938 672 N CB 1.449 39.897 38.487 -0.065 0.000 1.144 672 N HN 0.321 nan 8.380 nan 0.000 0.500 673 Y N 1.175 121.163 120.300 -0.520 0.000 2.353 673 Y HA 0.295 4.846 4.550 0.002 0.000 0.340 673 Y C 0.285 175.916 175.900 -0.449 0.000 0.972 673 Y CA -0.655 57.078 58.100 -0.611 0.000 1.157 673 Y CB 0.798 38.431 38.460 -1.379 0.000 1.157 673 Y HN 0.264 nan 8.280 nan 0.000 0.495 674 N N 5.347 123.965 118.700 -0.137 0.000 2.372 674 N HA 0.508 5.249 4.740 0.002 0.000 0.285 674 N C -0.931 174.516 175.510 -0.105 0.000 1.008 674 N CA -0.516 52.423 53.050 -0.186 0.000 0.880 674 N CB 2.163 40.587 38.487 -0.105 0.000 1.239 674 N HN 0.688 nan 8.380 nan 0.000 0.484 675 I N -1.142 119.322 120.570 -0.177 0.000 2.545 675 I HA 0.579 4.750 4.170 0.002 0.000 0.292 675 I C -1.383 174.700 176.117 -0.058 0.000 1.040 675 I CA -1.094 60.209 61.300 0.004 0.000 1.068 675 I CB 2.114 40.183 38.000 0.114 0.000 1.251 675 I HN 0.149 nan 8.210 nan 0.000 0.424 676 L N 6.265 127.538 121.223 0.082 0.000 2.325 676 L HA 0.517 4.857 4.340 0.002 0.000 0.281 676 L C -0.950 175.994 176.870 0.123 0.000 1.004 676 L CA -0.611 54.318 54.840 0.149 0.000 0.823 676 L CB 1.581 43.774 42.059 0.224 0.000 1.236 676 L HN 0.702 nan 8.230 nan 0.000 0.415 677 L N 5.792 127.081 121.223 0.111 0.000 2.361 677 L HA 0.260 4.601 4.340 0.002 0.000 0.278 677 L C 0.209 177.127 176.870 0.080 0.000 1.113 677 L CA 0.729 55.625 54.840 0.092 0.000 0.849 677 L CB 0.432 42.539 42.059 0.079 0.000 1.155 677 L HN 0.721 nan 8.230 nan 0.000 0.452 678 L N 5.145 126.408 121.223 0.067 0.000 2.693 678 L HA 0.522 4.863 4.340 0.002 0.000 0.235 678 L C 0.753 177.644 176.870 0.035 0.000 1.127 678 L CA 0.209 55.078 54.840 0.048 0.000 0.914 678 L CB -0.216 41.866 42.059 0.037 0.000 1.193 678 L HN 0.847 nan 8.230 nan 0.000 0.502 679 G N -0.601 108.222 108.800 0.039 0.000 2.320 679 G HA2 0.393 4.354 3.960 0.002 0.000 0.297 679 G HA3 0.393 4.354 3.960 0.002 0.000 0.297 679 G C -1.916 173.003 174.900 0.032 0.000 1.344 679 G CA -0.530 44.588 45.100 0.030 0.000 0.851 679 G HN -0.297 nan 8.290 nan 0.000 0.567 680 V N 0.077 120.007 119.914 0.027 0.000 2.950 680 V HA 0.576 4.697 4.120 0.002 0.000 0.295 680 V C -0.906 175.202 176.094 0.022 0.000 1.297 680 V CA -1.038 61.279 62.300 0.028 0.000 0.962 680 V CB 2.234 34.076 31.823 0.031 0.000 1.081 680 V HN 0.810 nan 8.190 nan 0.000 0.432 681 K N 2.288 122.700 120.400 0.020 0.000 2.463 681 K HA 0.624 4.945 4.320 0.002 0.000 0.255 681 K C 0.339 176.952 176.600 0.022 0.000 0.942 681 K CA -0.524 55.775 56.287 0.019 0.000 0.814 681 K CB 2.363 34.871 32.500 0.014 0.000 1.122 681 K HN 0.939 nan 8.250 nan 0.000 0.425 682 G N 3.401 112.215 108.800 0.023 0.000 2.690 682 G HA2 0.083 4.043 3.960 0.002 0.000 0.239 682 G HA3 0.083 4.043 3.960 0.002 0.000 0.239 682 G C -2.058 172.858 174.900 0.027 0.000 1.233 682 G CA -0.706 44.409 45.100 0.025 0.000 0.847 682 G HN 0.333 nan 8.290 nan 0.000 0.588 683 P HA 0.111 nan 4.420 nan 0.000 0.266 683 P C -0.011 177.311 177.300 0.036 0.000 1.195 683 P CA -0.025 63.095 63.100 0.033 0.000 0.768 683 P CB 0.928 32.648 31.700 0.034 0.000 0.838 684 S N 0.913 116.637 115.700 0.040 0.000 2.593 684 S HA 0.576 5.047 4.470 0.002 0.000 0.297 684 S C -0.301 174.330 174.600 0.052 0.000 1.112 684 S CA -0.674 57.553 58.200 0.044 0.000 1.043 684 S CB 2.096 65.323 63.200 0.044 0.000 1.054 684 S HN 0.548 nan 8.310 nan 0.000 0.516 685 E N -0.088 120.144 120.200 0.053 0.000 2.316 685 E HA 0.488 4.839 4.350 0.002 0.000 0.258 685 E C -1.225 175.412 176.600 0.062 0.000 0.952 685 E CA -0.802 55.633 56.400 0.058 0.000 0.818 685 E CB 1.579 31.311 29.700 0.053 0.000 1.260 685 E HN 0.787 nan 8.360 nan 0.000 0.416 686 E N 0.967 121.206 120.200 0.065 0.000 2.158 686 E HA 0.221 4.572 4.350 0.002 0.000 0.271 686 E C -0.948 175.690 176.600 0.062 0.000 0.911 686 E CA -0.716 55.724 56.400 0.066 0.000 0.767 686 E CB 1.075 30.819 29.700 0.073 0.000 1.120 686 E HN 0.335 nan 8.360 nan 0.000 0.405 687 R N 5.874 126.411 120.500 0.062 0.000 2.357 687 R HA 0.120 4.460 4.340 0.002 0.000 0.330 687 R C -0.573 175.762 176.300 0.059 0.000 1.102 687 R CA 0.227 56.364 56.100 0.062 0.000 0.974 687 R CB 0.148 30.488 30.300 0.067 0.000 1.002 687 R HN 0.632 nan 8.270 nan 0.000 0.463 688 M N 3.923 123.558 119.600 0.059 0.000 2.205 688 M HA 0.203 4.684 4.480 0.002 0.000 0.344 688 M C -0.374 175.963 176.300 0.062 0.000 1.085 688 M CA -0.387 54.947 55.300 0.057 0.000 1.001 688 M CB 2.046 34.678 32.600 0.053 0.000 1.626 688 M HN 0.404 nan 8.290 nan 0.000 0.442 689 E N 2.230 122.466 120.200 0.060 0.000 2.257 689 E HA 0.401 4.752 4.350 0.002 0.000 0.278 689 E C -0.538 176.109 176.600 0.079 0.000 1.049 689 E CA -0.336 56.105 56.400 0.069 0.000 0.876 689 E CB 0.896 30.632 29.700 0.060 0.000 1.035 689 E HN 0.656 nan 8.360 nan 0.000 0.419 690 A N 2.669 125.552 122.820 0.105 0.000 2.287 690 A HA 0.550 4.871 4.320 0.002 0.000 0.317 690 A C 0.002 177.679 177.584 0.156 0.000 1.220 690 A CA -0.690 51.411 52.037 0.108 0.000 0.835 690 A CB 1.111 20.174 19.000 0.106 0.000 1.180 690 A HN 0.666 nan 8.150 nan 0.000 0.500 691 A N 2.616 125.512 122.820 0.128 0.000 2.785 691 A HA 0.390 4.711 4.320 0.002 0.000 0.294 691 A C 0.686 178.392 177.584 0.202 0.000 1.597 691 A CA -0.310 51.828 52.037 0.169 0.000 1.283 691 A CB -1.027 18.043 19.000 0.116 0.000 1.088 691 A HN 0.986 nan 8.150 nan 0.000 0.568 692 F N 2.344 122.371 119.950 0.129 0.000 2.063 692 F HA -0.158 4.370 4.527 0.001 0.000 0.298 692 F C 0.534 176.329 175.800 -0.008 0.000 1.109 692 F CA 1.864 59.910 58.000 0.076 0.000 1.212 692 F CB -0.136 38.963 39.000 0.165 0.000 0.973 692 F HN 0.503 nan 8.300 nan 0.000 0.480 693 F N 0.954 121.059 119.950 0.257 0.000 2.384 693 F HA 0.236 4.763 4.527 0.002 0.000 0.338 693 F C 1.223 177.063 175.800 0.067 0.000 1.103 693 F CA -1.009 57.082 58.000 0.152 0.000 1.157 693 F CB 0.624 39.709 39.000 0.142 0.000 1.167 693 F HN -0.204 nan 8.300 nan 0.000 0.529 694 K N 1.904 122.407 120.400 0.170 0.000 1.990 694 K HA -0.139 4.182 4.320 0.002 0.000 0.225 694 K C -1.486 175.180 176.600 0.110 0.000 1.053 694 K CA 1.302 57.648 56.287 0.097 0.000 0.982 694 K CB -1.464 31.083 32.500 0.077 0.000 0.734 694 K HN 0.386 nan 8.250 nan 0.000 0.448 695 P HA 0.262 nan 4.420 nan 0.000 0.296 695 P C -2.724 174.646 177.300 0.116 0.000 1.306 695 P CA -2.100 61.054 63.100 0.090 0.000 0.818 695 P CB 1.017 32.757 31.700 0.067 0.000 0.969 696 P HA -0.132 nan 4.420 nan 0.000 0.259 696 P C 1.256 178.571 177.300 0.026 0.000 1.155 696 P CA 0.078 63.235 63.100 0.094 0.000 0.759 696 P CB 0.232 31.968 31.700 0.060 0.000 0.753 697 L N 4.773 125.965 121.223 -0.052 0.000 1.991 697 L HA -0.270 4.071 4.340 0.002 0.000 0.221 697 L C 2.272 179.041 176.870 -0.169 0.000 1.079 697 L CA 2.565 57.248 54.840 -0.262 0.000 0.778 697 L CB -1.584 40.103 42.059 -0.620 0.000 0.893 697 L HN 0.363 nan 8.230 nan 0.000 0.437 698 S N -1.569 114.056 115.700 -0.124 0.000 2.493 698 S HA -0.184 4.287 4.470 0.002 0.000 0.243 698 S C 1.820 176.393 174.600 -0.046 0.000 0.991 698 S CA 1.372 59.523 58.200 -0.082 0.000 0.957 698 S CB -0.355 62.812 63.200 -0.055 0.000 0.756 698 S HN 0.584 nan 8.310 nan 0.000 0.521 699 K N -0.236 120.146 120.400 -0.031 0.000 2.352 699 K HA 0.182 4.503 4.320 0.002 0.000 0.194 699 K C 2.105 178.704 176.600 -0.001 0.000 1.038 699 K CA 0.258 56.542 56.287 -0.005 0.000 1.023 699 K CB 0.051 32.557 32.500 0.011 0.000 0.840 699 K HN 0.419 nan 8.250 nan 0.000 0.519 700 Q N 0.331 120.120 119.800 -0.018 0.000 2.354 700 Q HA 0.039 4.380 4.340 0.002 0.000 0.203 700 Q C 1.614 177.619 176.000 0.008 0.000 0.933 700 Q CA 0.511 56.312 55.803 -0.003 0.000 0.901 700 Q CB 0.355 29.083 28.738 -0.017 0.000 1.007 700 Q HN 0.212 nan 8.270 nan 0.000 0.495 701 R N -0.338 120.149 120.500 -0.021 0.000 2.148 701 R HA -0.038 4.303 4.340 0.002 0.000 0.223 701 R C 2.121 178.459 176.300 0.063 0.000 1.088 701 R CA 0.854 56.954 56.100 -0.000 0.000 0.985 701 R CB -0.133 30.140 30.300 -0.046 0.000 0.880 701 R HN 0.051 nan 8.270 nan 0.000 0.451 702 V N 1.555 121.494 119.914 0.042 0.000 2.427 702 V HA -0.189 3.932 4.120 0.002 0.000 0.248 702 V C 2.212 178.344 176.094 0.063 0.000 1.051 702 V CA 1.622 63.953 62.300 0.052 0.000 1.048 702 V CB -0.359 31.484 31.823 0.034 0.000 0.666 702 V HN 0.233 nan 8.190 nan 0.000 0.456 703 E N -0.420 119.812 120.200 0.054 0.000 2.023 703 E HA -0.256 4.095 4.350 0.002 0.000 0.196 703 E C 2.097 178.736 176.600 0.064 0.000 1.003 703 E CA 1.786 58.206 56.400 0.034 0.000 0.809 703 E CB -0.533 29.183 29.700 0.027 0.000 0.755 703 E HN 0.708 nan 8.360 nan 0.000 0.449 704 Y N 1.217 121.518 120.300 0.002 0.000 2.165 704 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 704 Y C 2.331 178.309 175.900 0.129 0.000 1.155 704 Y CA 1.793 59.921 58.100 0.046 0.000 1.164 704 Y CB -0.276 38.211 38.460 0.044 0.000 0.978 704 Y HN 0.067 nan 8.280 nan 0.000 0.513 705 A N -0.135 122.848 122.820 0.271 0.000 1.858 705 A HA -0.166 4.155 4.320 0.002 0.000 0.216 705 A C 2.217 179.887 177.584 0.143 0.000 1.190 705 A CA 1.854 54.020 52.037 0.215 0.000 0.617 705 A CB -1.125 17.966 19.000 0.151 0.000 0.827 705 A HN 0.493 nan 8.150 nan 0.000 0.443 706 L N -0.744 120.529 121.223 0.084 0.000 2.141 706 L HA -0.178 4.163 4.340 0.002 0.000 0.209 706 L C 2.545 179.423 176.870 0.014 0.000 1.094 706 L CA 1.473 56.343 54.840 0.051 0.000 0.763 706 L CB -0.470 41.608 42.059 0.032 0.000 0.908 706 L HN 0.364 nan 8.230 nan 0.000 0.437 707 K N -0.976 119.398 120.400 -0.043 0.000 2.057 707 K HA -0.166 4.155 4.320 0.002 0.000 0.207 707 K C 2.193 178.715 176.600 -0.129 0.000 1.049 707 K CA 1.076 57.283 56.287 -0.132 0.000 0.931 707 K CB -0.207 32.141 32.500 -0.253 0.000 0.714 707 K HN 0.344 nan 8.250 nan 0.000 0.440 708 H N 0.752 119.763 119.070 -0.098 0.000 2.326 708 H HA -0.011 4.546 4.556 0.002 0.000 0.301 708 H C 2.227 177.556 175.328 0.003 0.000 1.081 708 H CA 1.282 57.298 56.048 -0.053 0.000 1.334 708 H CB -0.086 29.668 29.762 -0.013 0.000 1.385 708 H HN 0.131 nan 8.280 nan 0.000 0.504 709 I N 0.510 121.175 120.570 0.159 0.000 2.208 709 I HA -0.270 3.901 4.170 0.002 0.000 0.245 709 I C 2.404 178.567 176.117 0.078 0.000 1.097 709 I CA 1.303 62.670 61.300 0.112 0.000 1.363 709 I CB -0.156 37.903 38.000 0.098 0.000 1.051 709 I HN 0.146 nan 8.210 nan 0.000 0.413 710 R N 0.353 120.884 120.500 0.052 0.000 2.200 710 R HA -0.052 4.289 4.340 0.002 0.000 0.208 710 R C 1.935 178.249 176.300 0.023 0.000 1.033 710 R CA 0.538 56.659 56.100 0.036 0.000 1.000 710 R CB -0.134 30.179 30.300 0.022 0.000 0.906 710 R HN 0.388 nan 8.270 nan 0.000 0.462 711 E N 0.840 121.048 120.200 0.013 0.000 2.268 711 E HA -0.071 4.280 4.350 0.002 0.000 0.195 711 E C 0.092 176.710 176.600 0.030 0.000 0.995 711 E CA 0.866 57.267 56.400 0.000 0.000 0.836 711 E CB 0.272 29.951 29.700 -0.034 0.000 0.763 711 E HN 0.245 nan 8.360 nan 0.000 0.491 712 S N -0.292 115.440 115.700 0.053 0.000 2.607 712 S HA 0.431 4.902 4.470 0.002 0.000 0.303 712 S C -0.138 174.494 174.600 0.054 0.000 1.086 712 S CA -1.036 57.200 58.200 0.061 0.000 0.995 712 S CB 1.899 65.150 63.200 0.085 0.000 1.084 712 S HN 0.052 nan 8.310 nan 0.000 0.507 713 S N 0.459 116.188 115.700 0.049 0.000 2.545 713 S HA 0.777 5.248 4.470 0.002 0.000 0.275 713 S C -0.170 174.459 174.600 0.050 0.000 1.299 713 S CA -0.417 57.809 58.200 0.044 0.000 1.048 713 S CB 0.397 63.619 63.200 0.036 0.000 0.938 713 S HN 1.762 nan 8.310 nan 0.000 0.496 714 A N 2.047 124.896 122.820 0.048 0.000 2.594 714 A HA 0.660 4.981 4.320 0.002 0.000 0.296 714 A C 0.404 178.016 177.584 0.047 0.000 1.056 714 A CA -0.247 51.821 52.037 0.052 0.000 0.693 714 A CB 0.550 19.587 19.000 0.063 0.000 1.278 714 A HN 1.219 nan 8.150 nan 0.000 0.408 715 S N 0.102 115.828 115.700 0.043 0.000 2.517 715 S HA 0.263 4.733 4.470 0.002 0.000 0.228 715 S C 1.035 175.663 174.600 0.047 0.000 1.060 715 S CA 1.225 59.448 58.200 0.039 0.000 0.937 715 S CB -0.564 62.652 63.200 0.027 0.000 0.840 715 S HN 1.878 nan 8.310 nan 0.000 0.546 716 T N 0.674 115.258 114.554 0.049 0.000 2.943 716 T HA 0.733 5.084 4.350 0.002 0.000 0.284 716 T C -0.876 173.860 174.700 0.059 0.000 1.015 716 T CA -0.747 61.387 62.100 0.057 0.000 1.042 716 T CB 1.503 70.408 68.868 0.062 0.000 1.055 716 T HN 0.479 nan 8.240 nan 0.000 0.500 717 L N 1.431 122.685 121.223 0.052 0.000 2.588 717 L HA 0.674 5.015 4.340 0.002 0.000 0.263 717 L C -1.658 175.208 176.870 -0.008 0.000 0.935 717 L CA -0.641 54.223 54.840 0.040 0.000 0.891 717 L CB 1.997 44.085 42.059 0.049 0.000 1.318 717 L HN 0.675 nan 8.230 nan 0.000 0.409 718 V N 3.460 123.338 119.914 -0.061 0.000 2.459 718 V HA 0.483 4.604 4.120 0.002 0.000 0.295 718 V C -0.909 175.014 176.094 -0.285 0.000 1.029 718 V CA -0.351 61.790 62.300 -0.265 0.000 0.874 718 V CB 1.748 33.254 31.823 -0.530 0.000 0.985 718 V HN 0.796 nan 8.190 nan 0.000 0.438 719 D N 4.221 124.444 120.400 -0.295 0.000 2.479 719 D HA 0.328 4.969 4.640 0.002 0.000 0.247 719 D C -0.471 175.708 176.300 -0.201 0.000 1.119 719 D CA -0.463 53.449 54.000 -0.147 0.000 0.922 719 D CB 0.128 40.891 40.800 -0.061 0.000 1.014 719 D HN 0.248 nan 8.370 nan 0.000 0.510 720 F N 2.187 122.115 119.950 -0.037 0.000 2.538 720 F HA 0.339 4.867 4.527 0.002 0.000 0.382 720 F C 1.837 177.559 175.800 -0.131 0.000 1.069 720 F CA 0.425 58.375 58.000 -0.082 0.000 1.138 720 F CB 0.533 39.520 39.000 -0.022 0.000 1.068 720 F HN 0.513 nan 8.300 nan 0.000 0.556 721 G N 1.712 110.489 108.800 -0.037 0.000 2.414 721 G HA2 -0.257 3.704 3.960 0.002 0.000 0.256 721 G HA3 -0.257 3.704 3.960 0.002 0.000 0.256 721 G C 0.662 175.500 174.900 -0.104 0.000 1.128 721 G CA -0.256 44.777 45.100 -0.110 0.000 0.944 721 G HN 0.985 nan 8.290 nan 0.000 0.500 722 C N -1.098 118.147 119.300 -0.093 0.000 2.453 722 C HA 0.447 4.908 4.460 0.002 0.000 0.277 722 C C 3.034 177.974 174.990 -0.083 0.000 1.262 722 C CA 1.278 60.251 59.018 -0.075 0.000 1.718 722 C CB -1.275 26.426 27.740 -0.064 0.000 2.031 722 C HN 2.409 nan 8.230 nan 0.000 0.480 723 G N 1.763 110.506 108.800 -0.094 0.000 2.646 723 G HA2 -0.446 3.515 3.960 0.002 0.000 0.324 723 G HA3 -0.446 3.515 3.960 0.002 0.000 0.324 723 G C 1.371 176.226 174.900 -0.075 0.000 1.195 723 G CA 2.686 47.730 45.100 -0.093 0.000 0.976 723 G HN 1.287 nan 8.290 nan 0.000 0.546 724 S N 0.463 116.122 115.700 -0.069 0.000 2.372 724 S HA 0.129 4.600 4.470 0.002 0.000 0.227 724 S C 2.844 177.409 174.600 -0.059 0.000 1.044 724 S CA 2.604 60.769 58.200 -0.059 0.000 1.050 724 S CB -0.835 62.336 63.200 -0.048 0.000 0.901 724 S HN 2.885 nan 8.310 nan 0.000 0.447 725 G N 0.260 109.029 108.800 -0.053 0.000 2.176 725 G HA2 -0.314 3.647 3.960 0.002 0.000 0.232 725 G HA3 -0.314 3.647 3.960 0.002 0.000 0.232 725 G C 1.034 175.915 174.900 -0.032 0.000 0.986 725 G CA 0.914 45.986 45.100 -0.046 0.000 0.643 725 G HN 1.078 nan 8.290 nan 0.000 0.522 726 S N 0.279 115.963 115.700 -0.028 0.000 2.369 726 S HA -0.219 4.251 4.470 0.002 0.000 0.225 726 S C 2.267 176.870 174.600 0.004 0.000 1.043 726 S CA 1.915 60.107 58.200 -0.013 0.000 1.074 726 S CB -0.485 62.707 63.200 -0.012 0.000 0.962 726 S HN 1.245 nan 8.310 nan 0.000 0.433 727 L N 1.768 122.994 121.223 0.006 0.000 2.013 727 L HA -0.022 4.319 4.340 0.002 0.000 0.212 727 L C 2.317 179.205 176.870 0.030 0.000 1.073 727 L CA 1.617 56.471 54.840 0.024 0.000 0.753 727 L CB -0.868 41.206 42.059 0.025 0.000 0.890 727 L HN 0.373 nan 8.230 nan 0.000 0.432 728 L N -0.479 120.755 121.223 0.017 0.000 2.083 728 L HA -0.218 4.123 4.340 0.002 0.000 0.209 728 L C 2.220 179.101 176.870 0.018 0.000 1.083 728 L CA 1.617 56.471 54.840 0.022 0.000 0.752 728 L CB -0.725 41.344 42.059 0.016 0.000 0.899 728 L HN 0.489 nan 8.230 nan 0.000 0.433 729 D N -0.425 119.977 120.400 0.004 0.000 2.088 729 D HA -0.192 4.449 4.640 0.002 0.000 0.196 729 D C 2.138 178.454 176.300 0.027 0.000 0.983 729 D CA 1.796 55.794 54.000 -0.003 0.000 0.846 729 D CB 0.039 40.830 40.800 -0.015 0.000 0.992 729 D HN 0.096 nan 8.370 nan 0.000 0.448 730 S N -0.295 115.437 115.700 0.052 0.000 2.409 730 S HA -0.251 4.219 4.470 0.002 0.000 0.237 730 S C 1.801 176.492 174.600 0.152 0.000 1.060 730 S CA 1.274 59.541 58.200 0.113 0.000 1.052 730 S CB -0.623 62.635 63.200 0.096 0.000 0.871 730 S HN 0.397 nan 8.310 nan 0.000 0.465 731 L N 1.236 122.518 121.223 0.099 0.000 2.005 731 L HA 0.098 4.439 4.340 0.002 0.000 0.207 731 L C 1.997 178.920 176.870 0.088 0.000 1.072 731 L CA 1.550 56.450 54.840 0.100 0.000 0.744 731 L CB -0.692 41.411 42.059 0.073 0.000 0.895 731 L HN 0.303 nan 8.230 nan 0.000 0.433 732 L N -0.278 120.973 121.223 0.047 0.000 2.549 732 L HA -0.113 4.228 4.340 0.002 0.000 0.229 732 L C 1.438 178.292 176.870 -0.028 0.000 1.158 732 L CA 1.275 56.125 54.840 0.016 0.000 0.842 732 L CB -0.829 41.226 42.059 -0.007 0.000 0.952 732 L HN 0.349 nan 8.230 nan 0.000 0.452 733 D N -1.533 118.848 120.400 -0.032 0.000 2.289 733 D HA -0.020 4.621 4.640 0.002 0.000 0.207 733 D C -0.363 175.645 176.300 -0.487 0.000 0.966 733 D CA 0.868 54.728 54.000 -0.234 0.000 0.868 733 D CB 0.109 40.767 40.800 -0.236 0.000 0.943 733 D HN 0.265 nan 8.370 nan 0.000 0.514 734 Y N 0.305 120.608 120.300 0.006 0.000 2.406 734 Y HA 0.296 4.847 4.550 0.002 0.000 0.340 734 Y C -1.996 173.911 175.900 0.012 0.000 0.975 734 Y CA -2.834 55.270 58.100 0.007 0.000 1.056 734 Y CB 1.484 39.947 38.460 0.006 0.000 1.210 734 Y HN -0.233 nan 8.280 nan 0.000 0.448 735 P HA -0.034 nan 4.420 nan 0.000 0.267 735 P C -0.563 176.787 177.300 0.084 0.000 1.175 735 P CA 0.630 63.780 63.100 0.083 0.000 0.763 735 P CB 0.887 32.627 31.700 0.068 0.000 0.795 736 T N 0.177 114.771 114.554 0.066 0.000 2.830 736 T HA 0.159 4.510 4.350 0.002 0.000 0.322 736 T C 1.065 175.796 174.700 0.052 0.000 1.501 736 T CA -0.083 62.054 62.100 0.060 0.000 1.036 736 T CB 0.929 69.838 68.868 0.068 0.000 1.379 736 T HN 0.379 nan 8.240 nan 0.000 0.493 737 S N 0.572 116.301 115.700 0.048 0.000 2.500 737 S HA 0.052 4.523 4.470 0.002 0.000 0.239 737 S C 0.907 175.535 174.600 0.045 0.000 0.989 737 S CA 0.239 58.465 58.200 0.043 0.000 0.951 737 S CB -0.795 62.429 63.200 0.040 0.000 0.759 737 S HN 0.558 nan 8.310 nan 0.000 0.523 738 L N 1.409 122.664 121.223 0.053 0.000 2.525 738 L HA 0.048 4.389 4.340 0.002 0.000 0.278 738 L C 1.505 178.409 176.870 0.057 0.000 1.218 738 L CA 0.299 55.173 54.840 0.057 0.000 0.878 738 L CB 0.201 42.299 42.059 0.064 0.000 1.127 738 L HN 0.326 nan 8.230 nan 0.000 0.492 739 Q N 0.382 120.215 119.800 0.055 0.000 2.459 739 Q HA 0.142 4.482 4.340 0.002 0.000 0.260 739 Q C -0.379 175.659 176.000 0.063 0.000 0.828 739 Q CA 0.237 56.073 55.803 0.054 0.000 0.987 739 Q CB 1.190 29.949 28.738 0.035 0.000 1.216 739 Q HN 0.703 nan 8.270 nan 0.000 0.558 740 T N 2.539 117.130 114.554 0.062 0.000 2.864 740 T HA 0.530 4.881 4.350 0.002 0.000 0.310 740 T C -0.272 174.473 174.700 0.075 0.000 1.040 740 T CA -0.467 61.674 62.100 0.068 0.000 0.977 740 T CB 0.701 69.605 68.868 0.060 0.000 0.976 740 T HN 0.144 nan 8.240 nan 0.000 0.459 741 I N 1.159 121.782 120.570 0.089 0.000 2.525 741 I HA 0.791 4.962 4.170 0.002 0.000 0.301 741 I C -0.768 175.399 176.117 0.083 0.000 0.992 741 I CA -1.303 60.045 61.300 0.080 0.000 1.162 741 I CB 1.324 39.376 38.000 0.087 0.000 1.332 741 I HN 0.447 nan 8.210 nan 0.000 0.458 742 I N 3.102 123.704 120.570 0.053 0.000 2.769 742 I HA 0.729 4.900 4.170 0.002 0.000 0.298 742 I C 0.033 176.148 176.117 -0.005 0.000 1.128 742 I CA -0.483 60.856 61.300 0.066 0.000 1.031 742 I CB 2.330 40.375 38.000 0.076 0.000 1.235 742 I HN 0.819 nan 8.210 nan 0.000 0.423 743 G N 3.509 112.325 108.800 0.027 0.000 2.524 743 G HA2 0.747 4.708 3.960 0.002 0.000 0.310 743 G HA3 0.747 4.708 3.960 0.002 0.000 0.310 743 G C -1.664 173.204 174.900 -0.054 0.000 1.279 743 G CA -0.591 44.483 45.100 -0.043 0.000 0.974 743 G HN 0.346 nan 8.290 nan 0.000 0.484 744 V N 1.731 121.547 119.914 -0.163 0.000 2.686 744 V HA 0.689 4.810 4.120 0.002 0.000 0.306 744 V C -1.018 174.951 176.094 -0.209 0.000 1.065 744 V CA -0.653 61.501 62.300 -0.244 0.000 0.894 744 V CB 2.037 33.628 31.823 -0.386 0.000 1.004 744 V HN 0.876 nan 8.190 nan 0.000 0.424 745 D N 2.001 122.269 120.400 -0.220 0.000 2.710 745 D HA 0.358 4.999 4.640 0.002 0.000 0.276 745 D C -0.603 175.607 176.300 -0.151 0.000 1.267 745 D CA -0.330 53.571 54.000 -0.166 0.000 0.772 745 D CB 2.449 43.173 40.800 -0.126 0.000 1.299 745 D HN 0.435 nan 8.370 nan 0.000 0.421 746 I N -0.914 119.588 120.570 -0.114 0.000 4.154 746 I HA 0.262 4.433 4.170 0.002 0.000 0.334 746 I C 0.568 176.647 176.117 -0.063 0.000 1.371 746 I CA -0.225 61.028 61.300 -0.079 0.000 1.110 746 I CB 0.330 38.294 38.000 -0.060 0.000 1.085 746 I HN 0.082 nan 8.210 nan 0.000 0.398 747 S N 4.313 119.969 115.700 -0.073 0.000 2.473 747 S HA 0.379 4.850 4.470 0.002 0.000 0.312 747 S C -1.076 173.490 174.600 -0.056 0.000 1.087 747 S CA -1.326 56.837 58.200 -0.062 0.000 1.077 747 S CB 0.331 63.488 63.200 -0.072 0.000 1.065 747 S HN 0.150 nan 8.310 nan 0.000 0.510 748 P HA -0.177 nan 4.420 nan 0.000 0.215 748 P C 0.958 178.231 177.300 -0.046 0.000 1.153 748 P CA 1.275 64.350 63.100 -0.041 0.000 0.853 748 P CB 0.147 31.829 31.700 -0.031 0.000 0.788 749 K N -0.449 119.925 120.400 -0.043 0.000 2.160 749 K HA -0.099 4.222 4.320 0.002 0.000 0.206 749 K C 2.427 178.994 176.600 -0.054 0.000 1.047 749 K CA 1.691 57.951 56.287 -0.045 0.000 0.930 749 K CB -0.773 31.705 32.500 -0.037 0.000 0.720 749 K HN 0.245 nan 8.250 nan 0.000 0.450 750 G N 1.132 109.897 108.800 -0.058 0.000 2.417 750 G HA2 -0.152 3.809 3.960 0.002 0.000 0.212 750 G HA3 -0.152 3.809 3.960 0.002 0.000 0.212 750 G C 1.478 176.335 174.900 -0.072 0.000 1.187 750 G CA 0.121 45.182 45.100 -0.066 0.000 0.804 750 G HN 0.053 nan 8.290 nan 0.000 0.534 751 L N 1.137 122.320 121.223 -0.068 0.000 2.021 751 L HA -0.212 4.129 4.340 0.002 0.000 0.215 751 L C 3.408 180.230 176.870 -0.080 0.000 1.074 751 L CA 1.418 56.219 54.840 -0.064 0.000 0.760 751 L CB -0.431 41.597 42.059 -0.050 0.000 0.889 751 L HN 0.301 nan 8.230 nan 0.000 0.433 752 A N -0.456 122.316 122.820 -0.080 0.000 1.940 752 A HA -0.223 4.098 4.320 0.002 0.000 0.219 752 A C 2.431 179.935 177.584 -0.133 0.000 1.176 752 A CA 1.649 53.625 52.037 -0.102 0.000 0.631 752 A CB -0.499 18.451 19.000 -0.083 0.000 0.814 752 A HN 0.331 nan 8.150 nan 0.000 0.446 753 R N -0.907 119.526 120.500 -0.112 0.000 2.090 753 R HA -0.031 4.310 4.340 0.002 0.000 0.228 753 R C 2.529 178.744 176.300 -0.142 0.000 1.110 753 R CA 1.062 57.092 56.100 -0.118 0.000 0.973 753 R CB -0.421 29.826 30.300 -0.088 0.000 0.869 753 R HN 0.527 nan 8.270 nan 0.000 0.440 754 A N 1.183 123.925 122.820 -0.129 0.000 1.883 754 A HA -0.161 4.159 4.320 0.002 0.000 0.217 754 A C 2.338 179.787 177.584 -0.224 0.000 1.186 754 A CA 1.881 53.837 52.037 -0.133 0.000 0.624 754 A CB -0.595 18.353 19.000 -0.087 0.000 0.822 754 A HN 0.408 nan 8.150 nan 0.000 0.444 755 A N -0.316 122.328 122.820 -0.292 0.000 1.873 755 A HA -0.143 4.178 4.320 0.002 0.000 0.215 755 A C 2.089 179.293 177.584 -0.634 0.000 1.186 755 A CA 1.783 53.451 52.037 -0.616 0.000 0.616 755 A CB -0.499 18.132 19.000 -0.615 0.000 0.823 755 A HN 0.523 nan 8.150 nan 0.000 0.442 756 K N -0.771 119.387 120.400 -0.404 0.000 2.113 756 K HA -0.255 4.066 4.320 0.002 0.000 0.208 756 K C 2.135 178.580 176.600 -0.259 0.000 1.047 756 K CA 2.072 58.169 56.287 -0.316 0.000 0.928 756 K CB -0.416 31.951 32.500 -0.221 0.000 0.716 756 K HN 0.781 nan 8.250 nan 0.000 0.446 757 M N 0.154 119.612 119.600 -0.237 0.000 2.081 757 M HA -0.103 4.378 4.480 0.002 0.000 0.261 757 M C 1.757 177.930 176.300 -0.212 0.000 1.075 757 M CA 1.704 56.895 55.300 -0.181 0.000 1.133 757 M CB -0.493 32.023 32.600 -0.140 0.000 1.330 757 M HN -0.037 nan 8.290 nan 0.000 0.414 758 L N -0.232 120.818 121.223 -0.287 0.000 2.129 758 L HA -0.252 4.089 4.340 0.002 0.000 0.212 758 L C 3.044 179.694 176.870 -0.367 0.000 1.087 758 L CA 1.714 56.373 54.840 -0.301 0.000 0.757 758 L CB -1.629 40.255 42.059 -0.293 0.000 0.896 758 L HN 0.629 nan 8.230 nan 0.000 0.434 759 H N 0.163 118.892 119.070 -0.567 0.000 2.387 759 H HA -0.142 4.415 4.556 0.002 0.000 0.299 759 H C 2.121 177.289 175.328 -0.267 0.000 1.099 759 H CA 2.017 57.814 56.048 -0.418 0.000 1.315 759 H CB 0.280 29.802 29.762 -0.399 0.000 1.380 759 H HN 0.140 nan 8.280 nan 0.000 0.513 760 V N 1.498 121.342 119.914 -0.117 0.000 2.283 760 V HA -0.182 3.939 4.120 0.002 0.000 0.243 760 V C 2.675 178.664 176.094 -0.176 0.000 1.039 760 V CA 1.603 63.841 62.300 -0.103 0.000 1.016 760 V CB -0.284 31.499 31.823 -0.067 0.000 0.650 760 V HN 0.276 nan 8.190 nan 0.000 0.449 761 K N 0.338 120.629 120.400 -0.183 0.000 2.057 761 K HA -0.037 4.284 4.320 0.002 0.000 0.207 761 K C 1.886 178.351 176.600 -0.224 0.000 1.049 761 K CA 1.306 57.489 56.287 -0.173 0.000 0.931 761 K CB -0.661 31.752 32.500 -0.144 0.000 0.714 761 K HN 0.375 nan 8.250 nan 0.000 0.440 762 L N 1.585 122.595 121.223 -0.356 0.000 2.650 762 L HA -0.034 4.307 4.340 0.002 0.000 0.235 762 L C 1.360 177.921 176.870 -0.515 0.000 1.149 762 L CA 0.123 54.630 54.840 -0.555 0.000 0.887 762 L CB -0.256 41.166 42.059 -1.061 0.000 1.021 762 L HN 0.126 nan 8.230 nan 0.000 0.441 763 N N 0.468 118.967 118.700 -0.335 0.000 2.439 763 N HA -0.051 4.690 4.740 0.002 0.000 0.176 763 N C 1.701 177.160 175.510 -0.086 0.000 1.029 763 N CA 0.827 53.763 53.050 -0.191 0.000 0.886 763 N CB 0.312 38.673 38.487 -0.210 0.000 1.057 763 N HN 0.474 nan 8.380 nan 0.000 0.437 764 K N 0.512 120.853 120.400 -0.099 0.000 2.240 764 K HA 0.206 4.527 4.320 0.002 0.000 0.202 764 K C 0.376 176.946 176.600 -0.051 0.000 1.053 764 K CA 0.518 56.769 56.287 -0.060 0.000 0.973 764 K CB 0.041 32.502 32.500 -0.065 0.000 0.924 764 K HN -0.078 nan 8.250 nan 0.000 0.477 765 E N 1.685 121.842 120.200 -0.072 0.000 2.598 765 E HA 0.252 4.603 4.350 0.002 0.000 0.233 765 E C -1.084 175.496 176.600 -0.032 0.000 1.173 765 E CA -0.469 55.897 56.400 -0.056 0.000 1.473 765 E CB 1.228 30.878 29.700 -0.083 0.000 1.398 765 E HN 0.361 nan 8.360 nan 0.000 0.431 766 A N 0.787 123.609 122.820 0.003 0.000 2.666 766 A HA 0.111 4.431 4.320 0.002 0.000 0.301 766 A C 1.212 178.839 177.584 0.073 0.000 1.470 766 A CA -0.449 51.630 52.037 0.071 0.000 1.159 766 A CB -0.588 18.538 19.000 0.210 0.000 1.116 766 A HN 0.542 nan 8.150 nan 0.000 0.548 767 C N 1.580 120.909 119.300 0.049 0.000 2.504 767 C HA -0.098 4.363 4.460 0.002 0.000 0.285 767 C C 2.390 177.412 174.990 0.054 0.000 1.225 767 C CA 1.582 60.625 59.018 0.041 0.000 1.755 767 C CB -0.615 27.146 27.740 0.036 0.000 2.065 767 C HN 0.962 nan 8.230 nan 0.000 0.452 768 N N -1.058 117.680 118.700 0.064 0.000 2.166 768 N HA 0.053 4.794 4.740 0.002 0.000 0.222 768 N C -0.219 175.337 175.510 0.076 0.000 1.282 768 N CA 0.119 53.205 53.050 0.059 0.000 0.890 768 N CB 0.187 38.702 38.487 0.047 0.000 1.114 768 N HN 0.195 nan 8.380 nan 0.000 0.494 769 V N 2.465 122.441 119.914 0.103 0.000 2.644 769 V HA -0.012 4.109 4.120 0.002 0.000 0.305 769 V C 1.140 177.346 176.094 0.187 0.000 1.053 769 V CA 0.850 63.235 62.300 0.142 0.000 1.186 769 V CB 0.796 32.720 31.823 0.168 0.000 0.895 769 V HN 0.220 nan 8.190 nan 0.000 0.490 770 K N 1.800 122.266 120.400 0.111 0.000 2.502 770 K HA 0.206 4.527 4.320 0.002 0.000 0.211 770 K C 0.402 176.922 176.600 -0.133 0.000 1.259 770 K CA 0.091 56.361 56.287 -0.029 0.000 0.983 770 K CB 1.164 33.616 32.500 -0.080 0.000 1.054 770 K HN 0.564 nan 8.250 nan 0.000 0.572 771 S N 0.653 116.361 115.700 0.014 0.000 2.532 771 S HA 0.705 5.176 4.470 0.002 0.000 0.299 771 S C -1.749 172.923 174.600 0.120 0.000 1.105 771 S CA -0.530 57.667 58.200 -0.004 0.000 1.018 771 S CB 1.613 64.801 63.200 -0.019 0.000 1.021 771 S HN 0.206 nan 8.310 nan 0.000 0.483 772 A N 3.960 126.861 122.820 0.135 0.000 2.530 772 A HA 0.655 4.976 4.320 0.002 0.000 0.279 772 A C -0.496 177.097 177.584 0.015 0.000 1.109 772 A CA -0.576 51.556 52.037 0.157 0.000 0.763 772 A CB 1.069 20.253 19.000 0.307 0.000 1.257 772 A HN 0.635 nan 8.150 nan 0.000 0.424 773 T N 3.142 117.703 114.554 0.011 0.000 2.856 773 T HA 0.681 5.032 4.350 0.002 0.000 0.283 773 T C -0.419 174.244 174.700 -0.061 0.000 1.008 773 T CA -0.414 61.616 62.100 -0.117 0.000 0.997 773 T CB 1.150 69.897 68.868 -0.201 0.000 0.992 773 T HN 0.480 nan 8.240 nan 0.000 0.454 774 L N 2.897 124.049 121.223 -0.117 0.000 2.341 774 L HA 0.601 4.942 4.340 0.002 0.000 0.278 774 L C -1.154 175.583 176.870 -0.221 0.000 1.005 774 L CA -1.042 53.772 54.840 -0.043 0.000 0.818 774 L CB 1.326 43.432 42.059 0.079 0.000 1.259 774 L HN 0.649 nan 8.230 nan 0.000 0.418 775 Y N 0.191 120.445 120.300 -0.078 0.000 2.621 775 Y HA 0.371 4.922 4.550 0.002 0.000 0.334 775 Y C 0.020 175.794 175.900 -0.210 0.000 1.074 775 Y CA -0.723 57.304 58.100 -0.122 0.000 1.149 775 Y CB 1.623 39.983 38.460 -0.167 0.000 1.302 775 Y HN 0.417 nan 8.280 nan 0.000 0.501 776 D N 0.630 121.023 120.400 -0.012 0.000 2.453 776 D HA 0.522 5.163 4.640 0.002 0.000 0.238 776 D C -0.711 175.494 176.300 -0.159 0.000 1.088 776 D CA 0.057 54.007 54.000 -0.083 0.000 0.854 776 D CB 0.989 41.785 40.800 -0.006 0.000 1.076 776 D HN 0.807 nan 8.370 nan 0.000 0.533 777 G N 1.142 109.733 108.800 -0.348 0.000 2.519 777 G HA2 0.246 4.207 3.960 0.002 0.000 0.292 777 G HA3 0.246 4.207 3.960 0.002 0.000 0.292 777 G C -1.139 173.644 174.900 -0.195 0.000 1.507 777 G CA -0.670 44.253 45.100 -0.295 0.000 0.806 777 G HN 0.251 nan 8.290 nan 0.000 0.523 778 S N -0.404 115.348 115.700 0.086 0.000 2.533 778 S HA 0.212 4.683 4.470 0.002 0.000 0.282 778 S C 1.724 176.434 174.600 0.184 0.000 1.304 778 S CA -0.223 58.034 58.200 0.094 0.000 1.063 778 S CB -0.042 63.235 63.200 0.128 0.000 0.881 778 S HN 0.987 nan 8.310 nan 0.000 0.493 779 I N 3.528 124.158 120.570 0.099 0.000 3.686 779 I HA 0.159 4.330 4.170 0.002 0.000 0.308 779 I C 0.544 176.831 176.117 0.282 0.000 1.254 779 I CA 0.443 61.868 61.300 0.210 0.000 1.175 779 I CB -0.393 37.655 38.000 0.080 0.000 1.009 779 I HN 0.526 nan 8.210 nan 0.000 0.459 780 L N -0.233 121.137 121.223 0.245 0.000 2.609 780 L HA 0.361 4.702 4.340 0.002 0.000 0.230 780 L C 0.854 177.897 176.870 0.288 0.000 1.087 780 L CA 0.185 55.186 54.840 0.269 0.000 0.874 780 L CB -0.082 42.086 42.059 0.181 0.000 1.114 780 L HN 0.237 nan 8.230 nan 0.000 0.488 781 E N 0.612 120.998 120.200 0.309 0.000 2.248 781 E HA 0.270 4.621 4.350 0.002 0.000 0.272 781 E C -1.309 175.514 176.600 0.371 0.000 1.008 781 E CA -0.542 56.036 56.400 0.296 0.000 0.856 781 E CB 2.311 32.160 29.700 0.248 0.000 1.120 781 E HN -0.150 nan 8.360 nan 0.000 0.397 782 F N 2.106 122.159 119.950 0.172 0.000 2.421 782 F HA 0.283 4.811 4.527 0.002 0.000 0.337 782 F C -0.363 175.416 175.800 -0.034 0.000 1.105 782 F CA -0.637 57.507 58.000 0.240 0.000 1.049 782 F CB 1.015 40.051 39.000 0.059 0.000 1.139 782 F HN 0.147 nan 8.300 nan 0.000 0.479 783 D N 3.611 123.425 120.400 -0.977 0.000 2.696 783 D HA 0.114 4.755 4.640 0.002 0.000 0.251 783 D C 0.588 176.243 176.300 -1.074 0.000 1.188 783 D CA 0.008 53.380 54.000 -1.048 0.000 0.876 783 D CB 2.194 42.267 40.800 -1.211 0.000 1.334 783 D HN 0.694 nan 8.370 nan 0.000 0.540 784 S N 3.933 119.109 115.700 -0.874 0.000 2.407 784 S HA -0.246 4.225 4.470 0.002 0.000 0.235 784 S C 1.520 175.870 174.600 -0.416 0.000 1.036 784 S CA 0.837 58.730 58.200 -0.512 0.000 1.013 784 S CB -0.240 62.822 63.200 -0.229 0.000 0.820 784 S HN 0.586 nan 8.310 nan 0.000 0.476 785 R N 0.602 120.851 120.500 -0.419 0.000 2.357 785 R HA 0.211 4.552 4.340 0.002 0.000 0.202 785 R C 0.278 176.358 176.300 -0.367 0.000 1.047 785 R CA 0.562 56.412 56.100 -0.416 0.000 1.034 785 R CB -0.430 29.728 30.300 -0.237 0.000 0.875 785 R HN 0.462 nan 8.270 nan 0.000 0.473 786 L N 1.917 123.014 121.223 -0.211 0.000 3.096 786 L HA 0.171 4.512 4.340 0.002 0.000 0.247 786 L C -0.528 176.487 176.870 0.242 0.000 1.321 786 L CA -0.845 54.023 54.840 0.046 0.000 1.044 786 L CB -0.112 41.993 42.059 0.076 0.000 1.434 786 L HN 0.171 nan 8.230 nan 0.000 0.533 787 H N -0.578 118.523 119.070 0.051 0.000 2.764 787 H HA 0.063 4.620 4.556 0.002 0.000 0.341 787 H C 0.583 175.921 175.328 0.017 0.000 1.072 787 H CA -1.351 54.713 56.048 0.026 0.000 1.444 787 H CB -0.040 29.729 29.762 0.013 0.000 1.458 787 H HN 0.508 nan 8.280 nan 0.000 0.572 788 D N 0.346 120.780 120.400 0.056 0.000 2.701 788 D HA -0.197 4.444 4.640 0.002 0.000 0.235 788 D C -0.849 175.477 176.300 0.044 0.000 1.155 788 D CA 0.468 54.458 54.000 -0.016 0.000 0.649 788 D CB -2.202 38.568 40.800 -0.050 0.000 1.050 788 D HN 0.307 nan 8.370 nan 0.000 0.425 789 V N 0.318 120.294 119.914 0.104 0.000 3.032 789 V HA -0.040 4.081 4.120 0.002 0.000 0.307 789 V C 1.650 177.805 176.094 0.102 0.000 1.097 789 V CA 0.727 63.096 62.300 0.115 0.000 1.191 789 V CB 0.983 32.898 31.823 0.154 0.000 0.964 789 V HN 0.235 nan 8.190 nan 0.000 0.494 790 D N 1.178 121.635 120.400 0.095 0.000 2.525 790 D HA 0.284 4.925 4.640 0.002 0.000 0.248 790 D C 0.354 176.725 176.300 0.118 0.000 1.000 790 D CA 0.776 54.835 54.000 0.100 0.000 0.923 790 D CB 0.810 41.656 40.800 0.077 0.000 1.101 790 D HN 0.386 nan 8.370 nan 0.000 0.493 791 I N 0.599 121.235 120.570 0.111 0.000 2.509 791 I HA 0.468 4.639 4.170 0.002 0.000 0.293 791 I C -0.073 176.125 176.117 0.134 0.000 1.020 791 I CA -0.774 60.597 61.300 0.119 0.000 1.088 791 I CB 2.467 40.530 38.000 0.104 0.000 1.267 791 I HN -0.176 nan 8.210 nan 0.000 0.430 792 G N 3.039 111.940 108.800 0.169 0.000 2.683 792 G HA2 0.559 4.520 3.960 0.002 0.000 0.299 792 G HA3 0.559 4.520 3.960 0.002 0.000 0.299 792 G C -0.969 174.081 174.900 0.249 0.000 1.432 792 G CA -0.233 45.032 45.100 0.275 0.000 0.978 792 G HN 0.438 nan 8.290 nan 0.000 0.513 793 T N 1.286 115.981 114.554 0.235 0.000 2.772 793 T HA 0.363 4.714 4.350 0.002 0.000 0.288 793 T C -0.526 174.318 174.700 0.242 0.000 0.994 793 T CA -0.319 61.897 62.100 0.194 0.000 0.951 793 T CB 0.934 69.878 68.868 0.126 0.000 0.933 793 T HN 0.727 nan 8.240 nan 0.000 0.447 794 C N 7.598 127.038 119.300 0.232 0.000 2.335 794 C HA 0.703 5.164 4.460 0.002 0.000 0.318 794 C C -0.736 174.319 174.990 0.108 0.000 1.150 794 C CA -0.880 58.259 59.018 0.201 0.000 1.466 794 C CB -1.923 25.980 27.740 0.271 0.000 2.024 794 C HN 0.850 nan 8.230 nan 0.000 0.429 795 L N 6.015 127.264 121.223 0.043 0.000 2.313 795 L HA 0.559 4.900 4.340 0.002 0.000 0.283 795 L C 0.438 177.274 176.870 -0.057 0.000 1.013 795 L CA -0.164 54.680 54.840 0.006 0.000 0.816 795 L CB 1.200 43.262 42.059 0.004 0.000 1.236 795 L HN 0.578 nan 8.230 nan 0.000 0.419 796 E N 1.843 122.006 120.200 -0.062 0.000 2.389 796 E HA -0.158 4.193 4.350 0.002 0.000 0.243 796 E C 0.278 176.748 176.600 -0.217 0.000 1.154 796 E CA 0.445 56.791 56.400 -0.090 0.000 0.723 796 E CB -1.094 28.571 29.700 -0.057 0.000 1.261 796 E HN 0.596 nan 8.360 nan 0.000 0.390 797 V N -1.003 118.782 119.914 -0.216 0.000 3.103 797 V HA 0.012 4.133 4.120 0.002 0.000 0.229 797 V C 2.228 178.144 176.094 -0.297 0.000 1.304 797 V CA 0.681 62.779 62.300 -0.337 0.000 1.298 797 V CB -0.348 31.274 31.823 -0.335 0.000 1.093 797 V HN 0.441 nan 8.190 nan 0.000 0.489 798 I N 1.401 121.815 120.570 -0.261 0.000 2.479 798 I HA -0.224 3.947 4.170 0.002 0.000 0.258 798 I C 2.056 177.992 176.117 -0.300 0.000 1.165 798 I CA 2.336 63.508 61.300 -0.214 0.000 1.422 798 I CB -0.469 37.507 38.000 -0.040 0.000 1.087 798 I HN 0.566 nan 8.210 nan 0.000 0.441 799 E N 1.154 121.039 120.200 -0.525 0.000 2.479 799 E HA -0.112 4.239 4.350 0.002 0.000 0.193 799 E C 0.952 176.997 176.600 -0.924 0.000 1.049 799 E CA 0.449 56.147 56.400 -1.171 0.000 0.870 799 E CB -0.681 28.273 29.700 -1.242 0.000 0.944 799 E HN 0.727 nan 8.360 nan 0.000 0.492 800 H N 1.242 119.914 119.070 -0.663 0.000 2.567 800 H HA 0.283 4.840 4.556 0.002 0.000 0.294 800 H C 0.564 175.695 175.328 -0.329 0.000 1.050 800 H CA 0.099 55.850 56.048 -0.494 0.000 1.168 800 H CB 0.035 29.556 29.762 -0.402 0.000 1.422 800 H HN 0.270 nan 8.280 nan 0.000 0.562 801 M N -1.064 118.407 119.600 -0.216 0.000 2.484 801 M HA 0.418 4.899 4.480 0.002 0.000 0.289 801 M C -1.036 175.261 176.300 -0.005 0.000 1.206 801 M CA -0.975 54.268 55.300 -0.094 0.000 0.892 801 M CB 2.816 35.376 32.600 -0.066 0.000 1.712 801 M HN -0.183 nan 8.290 nan 0.000 0.462 802 E N 1.604 121.832 120.200 0.046 0.000 2.442 802 E HA -0.080 4.271 4.350 0.002 0.000 0.262 802 E C 0.406 177.129 176.600 0.204 0.000 1.004 802 E CA 0.348 56.822 56.400 0.123 0.000 0.928 802 E CB 0.863 30.610 29.700 0.077 0.000 0.937 802 E HN 0.837 nan 8.360 nan 0.000 0.446 803 E N 2.317 122.644 120.200 0.211 0.000 2.253 803 E HA -0.289 4.062 4.350 0.002 0.000 0.202 803 E C 0.748 177.412 176.600 0.107 0.000 1.014 803 E CA 1.765 58.154 56.400 -0.018 0.000 0.823 803 E CB 0.213 29.831 29.700 -0.137 0.000 0.736 803 E HN 0.467 nan 8.360 nan 0.000 0.478 804 D N -0.222 120.257 120.400 0.132 0.000 2.162 804 D HA -0.134 4.507 4.640 0.002 0.000 0.203 804 D C 1.833 178.242 176.300 0.182 0.000 0.967 804 D CA 0.710 54.800 54.000 0.150 0.000 0.840 804 D CB -0.335 40.533 40.800 0.113 0.000 0.972 804 D HN 0.406 nan 8.370 nan 0.000 0.482 805 Q N 1.037 120.938 119.800 0.168 0.000 2.119 805 Q HA 0.008 4.349 4.340 0.002 0.000 0.201 805 Q C 2.353 178.514 176.000 0.268 0.000 0.972 805 Q CA 1.110 57.023 55.803 0.182 0.000 0.847 805 Q CB -0.188 28.626 28.738 0.127 0.000 0.903 805 Q HN 0.212 nan 8.270 nan 0.000 0.433 806 A N 1.106 124.091 122.820 0.276 0.000 1.892 806 A HA -0.245 4.076 4.320 0.002 0.000 0.218 806 A C 2.408 180.357 177.584 0.608 0.000 1.188 806 A CA 1.664 53.928 52.037 0.379 0.000 0.631 806 A CB -1.164 17.955 19.000 0.199 0.000 0.822 806 A HN 0.523 nan 8.150 nan 0.000 0.447 807 C N -0.897 118.738 119.300 0.559 0.000 2.436 807 C HA -0.110 4.351 4.460 0.002 0.000 0.277 807 C C 2.688 177.874 174.990 0.328 0.000 1.241 807 C CA 1.121 60.465 59.018 0.544 0.000 1.721 807 C CB -1.355 26.620 27.740 0.392 0.000 2.043 807 C HN 0.799 nan 8.230 nan 0.000 0.472 808 E N 0.402 120.763 120.200 0.269 0.000 2.086 808 E HA -0.308 4.043 4.350 0.002 0.000 0.200 808 E C 1.972 178.701 176.600 0.215 0.000 1.012 808 E CA 1.808 58.330 56.400 0.203 0.000 0.812 808 E CB -0.412 29.401 29.700 0.189 0.000 0.743 808 E HN 0.618 nan 8.360 nan 0.000 0.453 809 F N 1.234 121.266 119.950 0.138 0.000 2.120 809 F HA -0.115 4.413 4.527 0.002 0.000 0.300 809 F C 1.952 177.779 175.800 0.045 0.000 1.095 809 F CA 2.168 60.218 58.000 0.084 0.000 1.249 809 F CB -0.955 38.093 39.000 0.080 0.000 0.995 809 F HN 0.073 nan 8.300 nan 0.000 0.480 810 G N 0.347 109.082 108.800 -0.109 0.000 2.480 810 G HA2 -0.242 3.719 3.960 0.002 0.000 0.216 810 G HA3 -0.242 3.719 3.960 0.002 0.000 0.216 810 G C 1.557 176.257 174.900 -0.334 0.000 1.200 810 G CA 0.875 45.779 45.100 -0.326 0.000 0.782 810 G HN 0.383 nan 8.290 nan 0.000 0.554 811 E N 0.899 121.025 120.200 -0.123 0.000 2.021 811 E HA -0.152 4.199 4.350 0.002 0.000 0.200 811 E C 2.512 179.030 176.600 -0.137 0.000 1.015 811 E CA 1.083 57.439 56.400 -0.074 0.000 0.824 811 E CB -0.404 29.322 29.700 0.042 0.000 0.762 811 E HN 0.395 nan 8.360 nan 0.000 0.454 812 K N 0.571 120.940 120.400 -0.051 0.000 2.074 812 K HA -0.149 4.172 4.320 0.002 0.000 0.209 812 K C 2.335 178.955 176.600 0.033 0.000 1.048 812 K CA 1.376 57.675 56.287 0.020 0.000 0.926 812 K CB -0.345 32.253 32.500 0.163 0.000 0.713 812 K HN -0.019 nan 8.250 nan 0.000 0.444 813 V N 2.131 121.949 119.914 -0.160 0.000 2.220 813 V HA -0.273 3.848 4.120 0.002 0.000 0.246 813 V C 2.386 178.377 176.094 -0.171 0.000 1.049 813 V CA 1.780 63.967 62.300 -0.189 0.000 1.003 813 V CB -0.547 30.829 31.823 -0.745 0.000 0.634 813 V HN 0.267 nan 8.190 nan 0.000 0.444 814 L N 0.927 121.884 121.223 -0.444 0.000 2.012 814 L HA -0.202 4.139 4.340 0.002 0.000 0.210 814 L C 2.696 179.409 176.870 -0.262 0.000 1.073 814 L CA 2.121 56.654 54.840 -0.511 0.000 0.748 814 L CB -0.995 40.499 42.059 -0.942 0.000 0.891 814 L HN 0.580 nan 8.230 nan 0.000 0.431 815 S N -0.101 115.423 115.700 -0.294 0.000 2.362 815 S HA -0.046 4.425 4.470 0.002 0.000 0.221 815 S C 1.898 176.478 174.600 -0.034 0.000 1.032 815 S CA 0.683 58.802 58.200 -0.136 0.000 0.973 815 S CB -0.523 62.632 63.200 -0.074 0.000 0.849 815 S HN 0.357 nan 8.310 nan 0.000 0.465 816 L N -1.123 120.049 121.223 -0.085 0.000 2.253 816 L HA 0.366 4.707 4.340 0.002 0.000 0.205 816 L C 0.010 176.733 176.870 -0.245 0.000 1.078 816 L CA 0.479 55.160 54.840 -0.265 0.000 0.805 816 L CB -0.150 41.491 42.059 -0.696 0.000 0.963 816 L HN 0.215 nan 8.230 nan 0.000 0.459 817 F N 1.468 121.532 119.950 0.189 0.000 2.307 817 F HA 0.250 4.778 4.527 0.001 0.000 0.369 817 F C 0.049 175.876 175.800 0.045 0.000 1.076 817 F CA -0.844 57.211 58.000 0.092 0.000 1.149 817 F CB 0.450 39.548 39.000 0.164 0.000 1.410 817 F HN 0.068 nan 8.300 nan 0.000 0.481 818 H N 1.742 120.933 119.070 0.203 0.000 2.697 818 H HA 0.401 4.958 4.556 0.002 0.000 0.270 818 H C -3.215 172.253 175.328 0.233 0.000 1.188 818 H CA -3.110 53.065 56.048 0.212 0.000 1.322 818 H CB 0.528 30.428 29.762 0.229 0.000 1.405 818 H HN 0.254 nan 8.280 nan 0.000 0.502 819 P HA 0.178 nan 4.420 nan 0.000 0.285 819 P C 0.592 178.077 177.300 0.309 0.000 1.259 819 P CA -0.586 62.642 63.100 0.214 0.000 0.794 819 P CB 1.933 33.742 31.700 0.182 0.000 0.940 820 K N 1.118 121.654 120.400 0.226 0.000 2.362 820 K HA 0.010 4.331 4.320 0.002 0.000 0.200 820 K C 0.567 177.311 176.600 0.240 0.000 1.046 820 K CA 0.735 57.144 56.287 0.204 0.000 0.952 820 K CB -0.080 32.489 32.500 0.116 0.000 0.753 820 K HN 0.272 nan 8.250 nan 0.000 0.466 821 L N 0.472 121.827 121.223 0.220 0.000 2.445 821 L HA 0.495 4.835 4.340 0.002 0.000 0.262 821 L C -1.967 174.996 176.870 0.154 0.000 0.974 821 L CA -0.970 53.986 54.840 0.193 0.000 0.822 821 L CB 1.996 44.138 42.059 0.137 0.000 1.339 821 L HN -0.116 nan 8.230 nan 0.000 0.409 822 L N 4.978 126.280 121.223 0.132 0.000 2.455 822 L HA 0.696 5.037 4.340 0.002 0.000 0.264 822 L C -1.678 175.243 176.870 0.086 0.000 0.968 822 L CA -0.092 54.770 54.840 0.036 0.000 0.827 822 L CB 2.024 43.949 42.059 -0.222 0.000 1.317 822 L HN 0.548 nan 8.230 nan 0.000 0.407 823 I N 5.460 126.085 120.570 0.092 0.000 2.410 823 I HA 0.499 4.670 4.170 0.002 0.000 0.286 823 I C -0.832 175.381 176.117 0.160 0.000 1.009 823 I CA -0.783 60.595 61.300 0.130 0.000 1.111 823 I CB 1.839 39.906 38.000 0.112 0.000 1.262 823 I HN 0.242 nan 8.210 nan 0.000 0.443 824 V N 4.514 124.569 119.914 0.235 0.000 2.630 824 V HA 0.582 4.703 4.120 0.002 0.000 0.305 824 V C -0.035 176.219 176.094 0.265 0.000 1.046 824 V CA -0.415 62.060 62.300 0.291 0.000 0.934 824 V CB 1.991 34.095 31.823 0.468 0.000 1.003 824 V HN 0.770 nan 8.190 nan 0.000 0.451 825 S N 2.004 117.805 115.700 0.167 0.000 2.569 825 S HA 0.863 5.334 4.470 0.002 0.000 0.280 825 S C -0.817 173.754 174.600 -0.048 0.000 1.111 825 S CA -0.267 57.949 58.200 0.027 0.000 0.887 825 S CB 2.138 65.324 63.200 -0.023 0.000 1.095 825 S HN 0.873 nan 8.310 nan 0.000 0.476 826 T N 3.661 118.100 114.554 -0.193 0.000 2.957 826 T HA 0.462 4.813 4.350 0.002 0.000 0.336 826 T C -3.119 171.467 174.700 -0.191 0.000 1.462 826 T CA -0.645 61.338 62.100 -0.196 0.000 1.073 826 T CB 1.842 70.578 68.868 -0.221 0.000 1.319 826 T HN 0.358 nan 8.240 nan 0.000 0.485 827 P HA 0.207 nan 4.420 nan 0.000 0.271 827 P C -0.658 176.646 177.300 0.008 0.000 1.220 827 P CA -0.419 62.647 63.100 -0.058 0.000 0.768 827 P CB 0.350 32.036 31.700 -0.024 0.000 0.848 828 N N 2.778 121.498 118.700 0.032 0.000 2.420 828 N HA -0.042 4.699 4.740 0.002 0.000 0.262 828 N C 0.570 176.230 175.510 0.250 0.000 1.144 828 N CA 0.138 53.278 53.050 0.151 0.000 0.952 828 N CB -0.033 38.566 38.487 0.186 0.000 1.081 828 N HN 0.338 nan 8.380 nan 0.000 0.480 829 Y N 4.060 124.424 120.300 0.107 0.000 2.163 829 Y HA -0.114 4.437 4.550 0.002 0.000 0.288 829 Y C 1.485 177.413 175.900 0.047 0.000 1.136 829 Y CA 1.750 59.880 58.100 0.050 0.000 1.147 829 Y CB -0.141 38.359 38.460 0.066 0.000 0.987 829 Y HN 0.680 nan 8.280 nan 0.000 0.509 830 E N -0.966 119.262 120.200 0.046 0.000 2.136 830 E HA -0.312 4.039 4.350 0.002 0.000 0.202 830 E C 2.145 178.707 176.600 -0.062 0.000 1.019 830 E CA 1.804 58.151 56.400 -0.088 0.000 0.819 830 E CB -0.658 29.041 29.700 -0.002 0.000 0.739 830 E HN 0.501 nan 8.360 nan 0.000 0.458 831 F N 2.378 122.307 119.950 -0.035 0.000 2.146 831 F HA -0.155 4.373 4.527 0.002 0.000 0.298 831 F C 1.871 177.634 175.800 -0.061 0.000 1.096 831 F CA 1.466 59.456 58.000 -0.015 0.000 1.275 831 F CB -0.066 38.968 39.000 0.056 0.000 1.008 831 F HN 0.041 nan 8.300 nan 0.000 0.480 832 N N -1.209 117.612 118.700 0.202 0.000 2.635 832 N HA -0.121 4.620 4.740 0.002 0.000 0.191 832 N C 0.772 176.255 175.510 -0.046 0.000 1.155 832 N CA 1.415 54.511 53.050 0.077 0.000 0.927 832 N CB -1.058 37.461 38.487 0.054 0.000 0.976 832 N HN 0.111 nan 8.380 nan 0.000 0.448 833 T N -0.572 113.912 114.554 -0.118 0.000 3.060 833 T HA 0.297 4.648 4.350 0.002 0.000 0.249 833 T C 1.311 175.928 174.700 -0.138 0.000 1.079 833 T CA 0.072 62.079 62.100 -0.156 0.000 1.013 833 T CB 0.066 68.797 68.868 -0.227 0.000 0.975 833 T HN 0.276 nan 8.240 nan 0.000 0.518 834 I N 0.064 120.536 120.570 -0.164 0.000 3.854 834 I HA 0.206 4.377 4.170 0.002 0.000 0.312 834 I C 1.615 177.667 176.117 -0.108 0.000 1.273 834 I CA 0.428 61.624 61.300 -0.174 0.000 1.298 834 I CB 0.176 37.954 38.000 -0.371 0.000 1.071 834 I HN 0.170 nan 8.210 nan 0.000 0.428 835 L N 0.024 121.162 121.223 -0.142 0.000 2.249 835 L HA -0.023 4.318 4.340 0.002 0.000 0.207 835 L C 2.250 179.065 176.870 -0.092 0.000 1.090 835 L CA 0.843 55.522 54.840 -0.268 0.000 0.802 835 L CB -0.301 41.579 42.059 -0.298 0.000 0.947 835 L HN 0.235 nan 8.230 nan 0.000 0.453 836 Q N -0.122 119.642 119.800 -0.060 0.000 2.378 836 Q HA -0.057 4.284 4.340 0.002 0.000 0.205 836 Q C 2.050 178.049 176.000 -0.002 0.000 0.954 836 Q CA 0.636 56.425 55.803 -0.024 0.000 0.901 836 Q CB 0.240 28.959 28.738 -0.032 0.000 0.981 836 Q HN 0.496 nan 8.270 nan 0.000 0.483 837 R N 0.008 120.506 120.500 -0.003 0.000 2.112 837 R HA -0.007 4.334 4.340 0.002 0.000 0.216 837 R C 2.520 178.847 176.300 0.044 0.000 1.080 837 R CA 1.248 57.354 56.100 0.010 0.000 0.996 837 R CB 0.008 30.303 30.300 -0.009 0.000 0.902 837 R HN 0.168 nan 8.270 nan 0.000 0.449 838 S N 0.205 115.958 115.700 0.089 0.000 2.423 838 S HA -0.041 4.430 4.470 0.002 0.000 0.231 838 S C 1.169 175.845 174.600 0.127 0.000 1.014 838 S CA 0.629 58.921 58.200 0.153 0.000 0.965 838 S CB -0.248 63.178 63.200 0.377 0.000 0.785 838 S HN 0.066 nan 8.310 nan 0.000 0.495 853 P HA 0.301 nan 4.420 nan 0.000 0.286 853 P C -0.026 177.275 177.300 0.002 0.000 1.321 853 P CA -0.223 62.867 63.100 -0.016 0.000 0.790 853 P CB 1.280 32.907 31.700 -0.121 0.000 0.897 854 K N 1.969 122.390 120.400 0.035 0.000 2.293 854 K HA 0.219 4.540 4.320 0.002 0.000 0.248 854 K C 0.262 176.840 176.600 -0.037 0.000 1.094 854 K CA 0.423 56.782 56.287 0.119 0.000 0.824 854 K CB -0.073 32.493 32.500 0.110 0.000 1.106 854 K HN 0.364 nan 8.250 nan 0.000 0.514 855 F N -0.189 119.717 119.950 -0.074 0.000 2.546 855 F HA 0.362 4.890 4.527 0.002 0.000 0.320 855 F C 1.693 177.314 175.800 -0.300 0.000 1.076 855 F CA -0.784 57.114 58.000 -0.170 0.000 0.928 855 F CB 1.219 40.090 39.000 -0.215 0.000 1.189 855 F HN 0.327 nan 8.300 nan 0.000 0.465 856 R N 0.476 120.841 120.500 -0.225 0.000 2.119 856 R HA -0.213 4.128 4.340 0.002 0.000 0.246 856 R C 0.137 176.184 176.300 -0.422 0.000 1.146 856 R CA 1.625 57.524 56.100 -0.335 0.000 0.962 856 R CB -0.308 29.763 30.300 -0.381 0.000 0.863 856 R HN 0.579 nan 8.270 nan 0.000 0.442 857 N N -1.335 117.011 118.700 -0.589 0.000 2.242 857 N HA 0.055 4.796 4.740 0.002 0.000 0.292 857 N C -0.018 175.309 175.510 -0.305 0.000 1.125 857 N CA -0.505 52.311 53.050 -0.390 0.000 0.783 857 N CB 1.133 39.503 38.487 -0.194 0.000 1.558 857 N HN -0.048 nan 8.380 nan 0.000 0.472 858 H N 0.091 119.126 119.070 -0.058 0.000 2.559 858 H HA 0.025 4.582 4.556 0.002 0.000 0.273 858 H C -0.407 174.871 175.328 -0.084 0.000 1.000 858 H CA 0.741 56.750 56.048 -0.066 0.000 1.195 858 H CB 0.351 30.088 29.762 -0.042 0.000 1.368 858 H HN 0.542 nan 8.280 nan 0.000 0.592 859 D N 0.622 121.029 120.400 0.011 0.000 3.088 859 D HA 0.084 4.725 4.640 0.002 0.000 0.310 859 D C -0.743 175.394 176.300 -0.271 0.000 1.351 859 D CA -0.231 53.730 54.000 -0.065 0.000 0.921 859 D CB -0.250 40.549 40.800 -0.001 0.000 1.045 859 D HN 0.258 nan 8.370 nan 0.000 0.504 860 H N -0.009 118.776 119.070 -0.475 0.000 2.768 860 H HA 0.347 4.904 4.556 0.002 0.000 0.371 860 H C 0.834 175.844 175.328 -0.530 0.000 1.151 860 H CA -0.664 55.007 56.048 -0.628 0.000 1.165 860 H CB 1.880 31.339 29.762 -0.504 0.000 1.722 860 H HN -0.233 nan 8.280 nan 0.000 0.543 861 K N 1.669 121.761 120.400 -0.514 0.000 2.172 861 K HA 0.147 4.468 4.320 0.002 0.000 0.203 861 K C 0.139 176.548 176.600 -0.317 0.000 1.040 861 K CA 0.804 56.866 56.287 -0.374 0.000 0.974 861 K CB 0.382 32.739 32.500 -0.238 0.000 0.857 861 K HN 0.438 nan 8.250 nan 0.000 0.464 862 F N -0.229 119.569 119.950 -0.253 0.000 2.640 862 F HA 0.685 5.213 4.527 0.002 0.000 0.324 862 F C -0.892 174.847 175.800 -0.101 0.000 1.077 862 F CA -1.322 56.591 58.000 -0.144 0.000 0.965 862 F CB 1.488 40.332 39.000 -0.261 0.000 1.351 862 F HN -0.204 nan 8.300 nan 0.000 0.487 863 E N 1.544 121.868 120.200 0.208 0.000 2.621 863 E HA 0.195 4.546 4.350 0.002 0.000 0.263 863 E C -1.509 175.160 176.600 0.114 0.000 1.033 863 E CA -0.558 55.845 56.400 0.006 0.000 0.778 863 E CB 0.640 30.201 29.700 -0.231 0.000 1.426 863 E HN 0.481 nan 8.360 nan 0.000 0.394 864 W N 1.317 122.766 121.300 0.248 0.000 2.089 864 W HA 0.124 4.785 4.660 0.002 0.000 0.355 864 W C 0.702 177.366 176.519 0.242 0.000 1.305 864 W CA -0.236 57.237 57.345 0.214 0.000 1.281 864 W CB 0.284 29.888 29.460 0.241 0.000 1.183 864 W HN 0.233 nan 8.180 nan 0.000 0.604 865 T N 2.011 116.860 114.554 0.493 0.000 2.944 865 T HA 0.265 4.615 4.350 0.002 0.000 0.284 865 T C 1.509 176.396 174.700 0.312 0.000 1.010 865 T CA -0.725 61.591 62.100 0.360 0.000 1.025 865 T CB 1.398 70.432 68.868 0.277 0.000 1.079 865 T HN 0.215 nan 8.240 nan 0.000 0.516 866 R N 0.837 121.484 120.500 0.246 0.000 2.134 866 R HA -0.239 4.102 4.340 0.002 0.000 0.248 866 R C 2.416 178.830 176.300 0.189 0.000 1.143 866 R CA 2.384 58.627 56.100 0.240 0.000 0.957 866 R CB -0.303 30.088 30.300 0.151 0.000 0.867 866 R HN 0.839 nan 8.270 nan 0.000 0.441 867 E N 0.807 121.067 120.200 0.100 0.000 2.076 867 E HA -0.177 4.173 4.350 0.002 0.000 0.190 867 E C 1.941 178.534 176.600 -0.013 0.000 0.979 867 E CA 0.821 57.229 56.400 0.014 0.000 0.807 867 E CB -0.251 29.447 29.700 -0.004 0.000 0.761 867 E HN 0.360 nan 8.360 nan 0.000 0.454 868 Q N -0.021 119.776 119.800 -0.006 0.000 2.061 868 Q HA -0.185 4.155 4.340 0.002 0.000 0.204 868 Q C 2.131 177.965 176.000 -0.277 0.000 0.984 868 Q CA 1.864 57.548 55.803 -0.197 0.000 0.846 868 Q CB -0.413 28.157 28.738 -0.280 0.000 0.902 868 Q HN 0.396 nan 8.270 nan 0.000 0.421 869 F N 2.693 122.563 119.950 -0.134 0.000 2.102 869 F HA -0.217 4.311 4.527 0.002 0.000 0.298 869 F C 2.019 177.988 175.800 0.281 0.000 1.105 869 F CA 1.786 59.854 58.000 0.113 0.000 1.239 869 F CB -0.398 38.842 39.000 0.400 0.000 0.991 869 F HN 0.070 nan 8.300 nan 0.000 0.474 870 N N 0.237 118.922 118.700 -0.024 0.000 2.166 870 N HA -0.217 4.524 4.740 0.002 0.000 0.186 870 N C 1.740 177.157 175.510 -0.154 0.000 1.019 870 N CA 1.958 54.829 53.050 -0.297 0.000 0.856 870 N CB -0.597 37.528 38.487 -0.604 0.000 0.993 870 N HN 0.565 nan 8.380 nan 0.000 0.426 871 Q N -1.165 118.564 119.800 -0.119 0.000 2.050 871 Q HA -0.153 4.188 4.340 0.002 0.000 0.202 871 Q C 1.729 177.703 176.000 -0.044 0.000 0.980 871 Q CA 1.706 57.458 55.803 -0.085 0.000 0.840 871 Q CB -0.383 28.297 28.738 -0.096 0.000 0.898 871 Q HN 0.586 nan 8.270 nan 0.000 0.424 872 W N 1.025 122.157 121.300 -0.280 0.000 2.315 872 W HA -0.302 4.359 4.660 0.002 0.000 0.323 872 W C 2.267 178.732 176.519 -0.089 0.000 1.233 872 W CA 2.395 59.588 57.345 -0.252 0.000 1.267 872 W CB -0.559 28.592 29.460 -0.515 0.000 1.160 872 W HN 0.135 nan 8.180 nan 0.000 0.474 873 A N 0.075 122.921 122.820 0.043 0.000 1.908 873 A HA -0.250 4.071 4.320 0.002 0.000 0.218 873 A C 2.026 179.500 177.584 -0.184 0.000 1.181 873 A CA 2.630 54.592 52.037 -0.126 0.000 0.627 873 A CB -1.365 17.594 19.000 -0.068 0.000 0.818 873 A HN 0.369 nan 8.150 nan 0.000 0.445 874 S N -0.022 115.679 115.700 0.001 0.000 2.353 874 S HA -0.194 4.277 4.470 0.002 0.000 0.222 874 S C 1.910 176.459 174.600 -0.085 0.000 1.035 874 S CA 1.786 59.984 58.200 -0.002 0.000 1.025 874 S CB -0.329 62.904 63.200 0.056 0.000 0.902 874 S HN 0.652 nan 8.310 nan 0.000 0.440 875 K N 0.454 120.786 120.400 -0.114 0.000 2.211 875 K HA -0.025 4.295 4.320 0.002 0.000 0.204 875 K C 1.972 178.487 176.600 -0.140 0.000 1.047 875 K CA 0.814 57.028 56.287 -0.122 0.000 0.935 875 K CB -0.208 32.216 32.500 -0.127 0.000 0.728 875 K HN 0.168 nan 8.250 nan 0.000 0.452 876 L N -0.164 120.938 121.223 -0.201 0.000 2.162 876 L HA 0.090 4.431 4.340 0.002 0.000 0.205 876 L C 2.048 178.944 176.870 0.043 0.000 1.086 876 L CA 1.409 56.165 54.840 -0.139 0.000 0.778 876 L CB -0.491 41.342 42.059 -0.377 0.000 0.928 876 L HN 0.120 nan 8.230 nan 0.000 0.446 877 G N -1.082 107.710 108.800 -0.012 0.000 2.421 877 G HA2 -0.224 3.737 3.960 0.002 0.000 0.217 877 G HA3 -0.224 3.737 3.960 0.002 0.000 0.217 877 G C 1.716 176.644 174.900 0.047 0.000 1.143 877 G CA 0.534 45.653 45.100 0.032 0.000 0.784 877 G HN 0.313 nan 8.290 nan 0.000 0.541 878 K N -0.076 120.314 120.400 -0.017 0.000 2.186 878 K HA 0.114 4.435 4.320 0.002 0.000 0.202 878 K C 2.498 179.070 176.600 -0.046 0.000 1.052 878 K CA 0.168 56.440 56.287 -0.025 0.000 0.965 878 K CB -0.052 32.422 32.500 -0.042 0.000 0.746 878 K HN 0.164 nan 8.250 nan 0.000 0.457 879 R N -0.133 120.314 120.500 -0.090 0.000 2.081 879 R HA -0.080 4.261 4.340 0.002 0.000 0.235 879 R C 0.533 176.652 176.300 -0.303 0.000 1.131 879 R CA 1.142 57.105 56.100 -0.229 0.000 0.960 879 R CB 0.089 30.204 30.300 -0.307 0.000 0.856 879 R HN 0.224 nan 8.270 nan 0.000 0.436 880 H N -0.899 118.195 119.070 0.041 0.000 2.559 880 H HA 0.152 4.709 4.556 0.002 0.000 0.343 880 H C -0.140 175.281 175.328 0.155 0.000 1.209 880 H CA -0.726 55.392 56.048 0.116 0.000 1.287 880 H CB 0.773 30.652 29.762 0.195 0.000 1.650 880 H HN 0.116 nan 8.280 nan 0.000 0.567 881 N N 1.494 120.339 118.700 0.243 0.000 2.715 881 N HA -0.035 4.706 4.740 0.002 0.000 0.254 881 N C -0.937 174.497 175.510 -0.128 0.000 1.306 881 N CA 0.514 53.566 53.050 0.003 0.000 0.956 881 N CB -0.351 38.062 38.487 -0.124 0.000 1.296 881 N HN 0.312 nan 8.380 nan 0.000 0.512 882 Y N -0.585 119.759 120.300 0.072 0.000 2.446 882 Y HA 0.224 4.774 4.550 0.002 0.000 0.345 882 Y C 0.554 176.432 175.900 -0.036 0.000 0.984 882 Y CA -1.227 56.912 58.100 0.064 0.000 1.058 882 Y CB 1.323 39.903 38.460 0.200 0.000 1.220 882 Y HN -0.073 nan 8.280 nan 0.000 0.455 883 S N 1.010 116.751 115.700 0.069 0.000 2.541 883 S HA 0.769 5.239 4.470 0.002 0.000 0.283 883 S C -0.954 173.521 174.600 -0.208 0.000 1.196 883 S CA -0.739 57.432 58.200 -0.049 0.000 1.062 883 S CB 1.295 64.482 63.200 -0.022 0.000 1.009 883 S HN 0.359 nan 8.310 nan 0.000 0.502 884 V N 2.541 122.272 119.914 -0.305 0.000 2.326 884 V HA 0.420 4.540 4.120 0.002 0.000 0.281 884 V C 0.007 175.826 176.094 -0.458 0.000 1.015 884 V CA -0.587 61.337 62.300 -0.628 0.000 0.823 884 V CB 0.916 32.173 31.823 -0.944 0.000 1.009 884 V HN 1.041 nan 8.190 nan 0.000 0.436 885 E N 5.119 125.103 120.200 -0.360 0.000 2.014 885 E HA 0.430 4.781 4.350 0.002 0.000 0.275 885 E C -1.207 175.347 176.600 -0.077 0.000 0.997 885 E CA -0.521 55.827 56.400 -0.087 0.000 0.804 885 E CB 0.467 30.183 29.700 0.028 0.000 1.090 885 E HN 0.506 nan 8.360 nan 0.000 0.401 886 F N 2.271 122.284 119.950 0.104 0.000 2.378 886 F HA 0.472 5.000 4.527 0.002 0.000 0.325 886 F C 0.883 176.819 175.800 0.226 0.000 1.097 886 F CA -0.232 57.878 58.000 0.184 0.000 1.079 886 F CB 1.577 40.696 39.000 0.199 0.000 1.240 886 F HN 0.505 nan 8.300 nan 0.000 0.519 887 S N -0.456 115.509 115.700 0.441 0.000 2.683 887 S HA 0.799 5.270 4.470 0.002 0.000 0.264 887 S C -0.928 173.694 174.600 0.036 0.000 1.066 887 S CA -0.516 57.875 58.200 0.319 0.000 0.846 887 S CB 1.119 64.483 63.200 0.272 0.000 1.114 887 S HN 1.320 nan 8.310 nan 0.000 0.476 888 G N -0.694 107.793 108.800 -0.521 0.000 2.645 888 G HA2 0.667 4.628 3.960 0.002 0.000 0.292 888 G HA3 0.667 4.628 3.960 0.002 0.000 0.292 888 G C -1.781 172.204 174.900 -1.526 0.000 1.415 888 G CA -0.326 44.278 45.100 -0.827 0.000 0.785 888 G HN 1.331 nan 8.290 nan 0.000 0.483 889 V N -0.388 119.038 119.914 -0.815 0.000 2.715 889 V HA 0.832 4.953 4.120 0.002 0.000 0.310 889 V C 0.784 176.742 176.094 -0.226 0.000 1.054 889 V CA 0.399 62.381 62.300 -0.531 0.000 0.928 889 V CB 1.163 32.770 31.823 -0.360 0.000 1.007 889 V HN 2.325 nan 8.190 nan 0.000 0.437 890 G N 2.143 110.949 108.800 0.010 0.000 2.788 890 G HA2 0.429 4.390 3.960 0.002 0.000 0.249 890 G HA3 0.429 4.390 3.960 0.002 0.000 0.249 890 G C 0.385 175.616 174.900 0.552 0.000 1.008 890 G CA 0.010 45.264 45.100 0.256 0.000 1.220 890 G HN 2.286 nan 8.290 nan 0.000 0.506 891 G N -0.406 108.753 108.800 0.598 0.000 2.255 891 G HA2 0.556 4.517 3.960 0.002 0.000 0.216 891 G HA3 0.556 4.517 3.960 0.002 0.000 0.216 891 G C -0.275 174.864 174.900 0.399 0.000 1.307 891 G CA 0.254 45.676 45.100 0.537 0.000 1.162 891 G HN 1.952 nan 8.290 nan 0.000 0.494 892 S N -0.797 114.891 115.700 -0.020 0.000 2.548 892 S HA 0.592 5.063 4.470 0.002 0.000 0.276 892 S C 0.926 175.002 174.600 -0.873 0.000 1.129 892 S CA 0.388 58.405 58.200 -0.306 0.000 0.931 892 S CB 1.726 64.892 63.200 -0.057 0.000 1.068 892 S HN 1.888 nan 8.310 nan 0.000 0.480 893 G N 0.848 109.012 108.800 -1.061 0.000 2.625 893 G HA2 -0.046 3.915 3.960 0.002 0.000 0.214 893 G HA3 -0.046 3.915 3.960 0.002 0.000 0.214 893 G C 0.620 175.363 174.900 -0.262 0.000 1.132 893 G CA 0.655 45.333 45.100 -0.703 0.000 0.782 893 G HN 0.643 nan 8.290 nan 0.000 0.538 894 E N -0.384 119.699 120.200 -0.195 0.000 2.152 894 E HA 0.155 4.506 4.350 0.002 0.000 0.195 894 E C 1.375 177.927 176.600 -0.080 0.000 0.934 894 E CA -0.313 56.033 56.400 -0.090 0.000 0.869 894 E CB -0.061 29.613 29.700 -0.042 0.000 0.842 894 E HN 0.137 nan 8.360 nan 0.000 0.472 895 V N 3.020 122.885 119.914 -0.081 0.000 3.388 895 V HA -0.201 3.919 4.120 0.002 0.000 0.301 895 V C 1.536 177.592 176.094 -0.065 0.000 1.160 895 V CA 0.695 62.960 62.300 -0.057 0.000 1.277 895 V CB 0.262 32.065 31.823 -0.034 0.000 1.018 895 V HN 0.262 nan 8.190 nan 0.000 0.504 896 E N 2.537 122.697 120.200 -0.067 0.000 2.086 896 E HA -0.235 4.116 4.350 0.002 0.000 0.205 896 E C -0.406 176.144 176.600 -0.083 0.000 1.027 896 E CA 1.953 58.308 56.400 -0.075 0.000 0.830 896 E CB -1.127 28.519 29.700 -0.089 0.000 0.751 896 E HN 0.805 nan 8.360 nan 0.000 0.456 897 P HA -0.036 nan 4.420 nan 0.000 0.213 897 P C 1.034 178.362 177.300 0.047 0.000 1.170 897 P CA 1.903 64.942 63.100 -0.102 0.000 0.889 897 P CB 0.180 31.647 31.700 -0.388 0.000 0.782 898 G N -0.890 107.945 108.800 0.059 0.000 2.390 898 G HA2 -0.080 3.881 3.960 0.002 0.000 0.202 898 G HA3 -0.080 3.881 3.960 0.002 0.000 0.202 898 G C -0.878 174.035 174.900 0.021 0.000 1.210 898 G CA -0.574 44.508 45.100 -0.031 0.000 1.271 898 G HN 0.226 nan 8.290 nan 0.000 0.543 899 F N 0.967 121.074 119.950 0.262 0.000 2.509 899 F HA 0.649 5.177 4.527 0.002 0.000 0.334 899 F C 1.614 177.377 175.800 -0.063 0.000 1.060 899 F CA -0.228 57.853 58.000 0.135 0.000 0.997 899 F CB 2.097 41.123 39.000 0.044 0.000 1.271 899 F HN 0.679 nan 8.300 nan 0.000 0.488 900 A N 0.128 122.831 122.820 -0.195 0.000 1.878 900 A HA 0.082 4.403 4.320 0.002 0.000 0.213 900 A C 0.529 177.929 177.584 -0.307 0.000 1.192 900 A CA 0.755 52.392 52.037 -0.666 0.000 0.619 900 A CB -0.358 18.079 19.000 -0.939 0.000 0.837 900 A HN 0.447 nan 8.150 nan 0.000 0.446 901 S N 1.233 116.784 115.700 -0.249 0.000 2.667 901 S HA 0.360 4.831 4.470 0.002 0.000 0.304 901 S C -0.594 173.890 174.600 -0.193 0.000 1.135 901 S CA -0.704 57.364 58.200 -0.221 0.000 1.125 901 S CB 0.904 63.949 63.200 -0.259 0.000 0.996 901 S HN 0.582 nan 8.310 nan 0.000 0.474 902 Q N 2.963 122.670 119.800 -0.155 0.000 2.332 902 Q HA 0.544 4.885 4.340 0.002 0.000 0.263 902 Q C -0.200 175.668 176.000 -0.220 0.000 0.979 902 Q CA -0.291 55.456 55.803 -0.095 0.000 0.885 902 Q CB 0.477 29.171 28.738 -0.074 0.000 1.218 902 Q HN 0.764 nan 8.270 nan 0.000 0.405 903 I N -1.616 119.004 120.570 0.084 0.000 2.534 903 I HA 0.749 4.920 4.170 0.002 0.000 0.288 903 I C -1.239 175.169 176.117 0.485 0.000 1.077 903 I CA -1.269 60.172 61.300 0.236 0.000 1.051 903 I CB 2.062 40.047 38.000 -0.024 0.000 1.234 903 I HN 0.690 nan 8.210 nan 0.000 0.425 904 A N 7.602 130.837 122.820 0.692 0.000 2.260 904 A HA 0.774 5.095 4.320 0.002 0.000 0.308 904 A C -0.412 177.299 177.584 0.211 0.000 1.254 904 A CA -0.519 51.623 52.037 0.175 0.000 0.874 904 A CB 0.429 19.408 19.000 -0.034 0.000 1.153 904 A HN 0.757 nan 8.150 nan 0.000 0.527 905 I N 1.879 122.444 120.570 -0.008 0.000 2.428 905 I HA 0.470 4.641 4.170 0.002 0.000 0.296 905 I C -0.934 175.228 176.117 0.076 0.000 0.985 905 I CA -0.304 61.067 61.300 0.117 0.000 1.260 905 I CB 1.341 39.334 38.000 -0.012 0.000 1.389 905 I HN 0.503 nan 8.210 nan 0.000 0.484 906 F N 3.892 123.817 119.950 -0.042 0.000 2.520 906 F HA 0.619 5.147 4.527 0.002 0.000 0.322 906 F C -0.035 175.862 175.800 0.162 0.000 1.103 906 F CA -0.809 57.213 58.000 0.036 0.000 0.926 906 F CB 1.623 40.600 39.000 -0.039 0.000 1.154 906 F HN 0.213 nan 8.300 nan 0.000 0.453 907 R N 1.900 122.621 120.500 0.368 0.000 2.532 907 R HA 0.418 4.759 4.340 0.002 0.000 0.297 907 R C -0.265 176.093 176.300 0.096 0.000 0.984 907 R CA -1.025 55.220 56.100 0.240 0.000 0.884 907 R CB 2.818 33.184 30.300 0.111 0.000 1.182 907 R HN 0.643 nan 8.270 nan 0.000 0.442 908 R N 1.554 121.989 120.500 -0.108 0.000 2.801 908 R HA 0.078 4.419 4.340 0.002 0.000 0.273 908 R C -0.185 175.925 176.300 -0.316 0.000 1.080 908 R CA 0.276 55.991 56.100 -0.641 0.000 1.197 908 R CB 0.710 30.727 30.300 -0.472 0.000 1.109 908 R HN 0.546 nan 8.270 nan 0.000 0.535 919 S N 1.736 117.471 115.700 0.058 0.000 2.815 919 S HA 0.696 5.167 4.470 0.002 0.000 0.296 919 S C -1.050 173.622 174.600 0.120 0.000 1.224 919 S CA -0.366 57.875 58.200 0.068 0.000 0.938 919 S CB 1.292 64.517 63.200 0.042 0.000 1.285 919 S HN 0.724 nan 8.310 nan 0.000 0.549 920 S N 0.781 116.532 115.700 0.085 0.000 2.647 920 S HA 0.741 5.212 4.470 0.002 0.000 0.300 920 S C -0.622 173.994 174.600 0.027 0.000 1.129 920 S CA -0.754 57.472 58.200 0.043 0.000 1.029 920 S CB 0.968 64.170 63.200 0.003 0.000 1.007 920 S HN 1.452 nan 8.310 nan 0.000 0.484 921 M N 1.775 121.363 119.600 -0.019 0.000 2.265 921 M HA 0.389 4.870 4.480 0.002 0.000 0.251 921 M C -2.121 174.090 176.300 -0.147 0.000 1.005 921 M CA -0.447 54.834 55.300 -0.033 0.000 0.998 921 M CB 1.477 34.107 32.600 0.049 0.000 2.070 921 M HN 0.681 nan 8.290 nan 0.000 0.476 922 Q N 4.223 123.947 119.800 -0.127 0.000 2.430 922 Q HA 0.422 4.763 4.340 0.002 0.000 0.245 922 Q C -2.250 173.686 176.000 -0.107 0.000 1.021 922 Q CA -1.540 54.158 55.803 -0.174 0.000 0.867 922 Q CB 1.499 30.174 28.738 -0.105 0.000 1.210 922 Q HN 0.509 nan 8.270 nan 0.000 0.487 923 P HA -0.020 nan 4.420 nan 0.000 0.232 923 P C -0.598 176.797 177.300 0.159 0.000 1.170 923 P CA 0.478 63.574 63.100 -0.007 0.000 0.824 923 P CB 0.347 32.042 31.700 -0.009 0.000 0.896 924 Y N 0.876 121.186 120.300 0.017 0.000 2.357 924 Y HA 0.240 4.791 4.550 0.001 0.000 0.340 924 Y C 0.986 176.977 175.900 0.151 0.000 1.260 924 Y CA -0.986 57.168 58.100 0.089 0.000 1.425 924 Y CB 0.008 38.519 38.460 0.086 0.000 1.326 924 Y HN -0.238 nan 8.280 nan 0.000 0.580 925 K N 1.530 122.125 120.400 0.325 0.000 2.449 925 K HA 0.412 4.733 4.320 0.002 0.000 0.257 925 K C -1.216 175.451 176.600 0.111 0.000 0.989 925 K CA -0.666 55.728 56.287 0.179 0.000 0.916 925 K CB 1.392 33.952 32.500 0.099 0.000 1.136 925 K HN 0.322 nan 8.250 nan 0.000 0.439 926 V N 5.268 125.197 119.914 0.025 0.000 2.584 926 V HA -0.085 4.036 4.120 0.002 0.000 0.303 926 V C 1.331 177.359 176.094 -0.109 0.000 1.035 926 V CA 0.789 62.946 62.300 -0.240 0.000 1.172 926 V CB 0.038 31.714 31.823 -0.245 0.000 0.896 926 V HN 0.783 nan 8.190 nan 0.000 0.486 927 I N 3.285 123.794 120.570 -0.101 0.000 3.172 927 I HA 0.208 4.379 4.170 0.002 0.000 0.278 927 I C 0.389 176.577 176.117 0.117 0.000 1.174 927 I CA 0.621 61.927 61.300 0.010 0.000 1.445 927 I CB 0.483 38.494 38.000 0.018 0.000 1.175 927 I HN 0.674 nan 8.210 nan 0.000 0.447 928 W N 1.542 122.774 121.300 -0.114 0.000 3.259 928 W HA 0.460 5.120 4.660 0.001 0.000 0.331 928 W C -0.997 175.482 176.519 -0.066 0.000 1.144 928 W CA -0.804 56.505 57.345 -0.060 0.000 1.227 928 W CB 1.068 30.505 29.460 -0.038 0.000 1.371 928 W HN -0.102 nan 8.180 nan 0.000 0.491 929 E N 4.545 124.291 120.200 -0.757 0.000 2.293 929 E HA 0.589 4.940 4.350 0.002 0.000 0.270 929 E C -2.232 173.845 176.600 -0.873 0.000 0.879 929 E CA -0.753 55.232 56.400 -0.693 0.000 0.756 929 E CB 1.908 31.381 29.700 -0.378 0.000 1.208 929 E HN 0.444 nan 8.360 nan 0.000 0.428 930 W N 4.531 125.304 121.300 -0.878 0.000 3.089 930 W HA 0.407 5.068 4.660 0.001 0.000 0.333 930 W C -1.669 174.650 176.519 -0.333 0.000 1.053 930 W CA -0.462 56.487 57.345 -0.660 0.000 1.257 930 W CB 1.166 30.094 29.460 -0.886 0.000 1.281 930 W HN 0.425 nan 8.180 nan 0.000 0.427 931 K N 4.055 123.877 120.400 -0.962 0.000 2.207 931 K HA 0.355 4.676 4.320 0.002 0.000 0.255 931 K C -0.417 175.408 176.600 -1.291 0.000 0.941 931 K CA -1.187 54.547 56.287 -0.922 0.000 0.825 931 K CB 1.952 34.162 32.500 -0.484 0.000 1.119 931 K HN 0.061 nan 8.250 nan 0.000 0.430 932 K N 3.507 123.264 120.400 -1.072 0.000 2.267 932 K HA 0.172 4.493 4.320 0.002 0.000 0.282 932 K C -0.845 175.541 176.600 -0.356 0.000 1.078 932 K CA 0.213 56.063 56.287 -0.728 0.000 0.903 932 K CB 0.673 32.903 32.500 -0.450 0.000 1.111 932 K HN 0.623 nan 8.250 nan 0.000 0.475 933 E N 0.000 120.041 120.200 -0.266 0.000 2.725 933 E HA 0.000 4.351 4.350 0.002 0.000 0.291 933 E CA 0.000 56.305 56.400 -0.158 0.000 0.976 933 E CB 0.000 29.608 29.700 -0.153 0.000 0.812 933 E HN 0.000 nan 8.360 nan 0.000 0.440