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 2nyn_1_C DATA FIRST_RESID 25 DATA SEQUENCE NVIIGNQKLT INDVARVARN GTLVSLTNNT DILQGIQASC DYINNAVESG DATA SEQUENCE XXXXXXXXXX XXXXXXXISR EQASELQTNL VWFLKTGAGN KLPLADVRAA DATA SEQUENCE MLLRANSHMR GASGIRLELI KRMEIFLNAG VTPYVYEFGS IGXXXDLVPL DATA SEQUENCE SYITGSLIGL DPSFKVDFNG KEMDAPTALR QLNLSPLTLL PKEGLAMMNG DATA SEQUENCE TSVMTGIAAN CVYDTQILTA IAMGVHALDI QALNGTNQSF HPFIHNSKPH DATA SEQUENCE PGQLWAADQM ISLLANSQLV RDELDGKXXX XXXXXIQDRY SLRCLPQYLG DATA SEQUENCE PIVDGISQIA KQIEIEINSV TDNPLIDVDN QASYHGGNFL GQYVGMGMDH DATA SEQUENCE LRYYIGLLAK HLDVQIALLA SPEFSNGLPP SLLGNRERKV NMGLKGLQIC DATA SEQUENCE GNSIMPLLTF YGNSIADRFP THAEQFNQNI NSQGYTSATL ARRSVDIFQN DATA SEQUENCE YVAIALMFGV QAVDLRTYKK TGHYDARACL SPATERLYSA VRHVVGQKPT DATA SEQUENCE SDRPYIWNDN EQGLDEHIAR ISADIAAGGV IVQAVQDIL 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.507 175.510 -0.005 0.000 1.280 25 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 25 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 26 V N 3.700 123.609 119.914 -0.007 0.000 2.385 26 V HA 0.453 4.573 4.120 -0.001 0.000 0.269 26 V C 0.324 176.412 176.094 -0.009 0.000 1.043 26 V CA -0.213 62.081 62.300 -0.010 0.000 0.906 26 V CB 1.044 32.857 31.823 -0.016 0.000 0.995 26 V HN 0.049 nan 8.190 nan 0.000 0.467 27 I N 6.053 126.619 120.570 -0.008 0.000 2.392 27 I HA 0.464 4.634 4.170 -0.001 0.000 0.295 27 I C -0.250 175.861 176.117 -0.010 0.000 0.985 27 I CA -0.408 60.887 61.300 -0.007 0.000 1.221 27 I CB 1.645 39.642 38.000 -0.005 0.000 1.366 27 I HN 0.423 nan 8.210 nan 0.000 0.467 28 I N 5.059 125.623 120.570 -0.010 0.000 2.354 28 I HA 0.507 4.676 4.170 -0.001 0.000 0.292 28 I C 0.935 177.047 176.117 -0.008 0.000 0.989 28 I CA -0.019 61.274 61.300 -0.012 0.000 1.188 28 I CB 1.449 39.440 38.000 -0.015 0.000 1.342 28 I HN 0.940 nan 8.210 nan 0.000 0.457 29 G N 4.517 113.312 108.800 -0.008 0.000 2.617 29 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.197 29 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.197 29 G C 0.718 175.614 174.900 -0.006 0.000 1.017 29 G CA -0.247 44.850 45.100 -0.005 0.000 0.713 29 G HN 0.507 nan 8.290 nan 0.000 0.481 30 N N 1.040 119.736 118.700 -0.006 0.000 2.255 30 N HA 0.107 4.847 4.740 -0.001 0.000 0.192 30 N C 1.338 176.843 175.510 -0.008 0.000 1.049 30 N CA 1.411 54.457 53.050 -0.006 0.000 0.886 30 N CB -0.335 38.149 38.487 -0.005 0.000 1.064 30 N HN 0.798 nan 8.380 nan 0.000 0.457 31 Q N 0.955 120.750 119.800 -0.008 0.000 2.205 31 Q HA 0.376 4.716 4.340 -0.001 0.000 0.249 31 Q C -0.726 175.267 176.000 -0.012 0.000 0.948 31 Q CA -0.673 55.124 55.803 -0.009 0.000 0.895 31 Q CB 1.501 30.234 28.738 -0.007 0.000 1.249 31 Q HN -0.074 nan 8.270 nan 0.000 0.458 32 K N 1.404 121.796 120.400 -0.014 0.000 2.382 32 K HA 0.185 4.505 4.320 -0.001 0.000 0.275 32 K C -0.264 176.326 176.600 -0.016 0.000 1.009 32 K CA -0.145 56.131 56.287 -0.018 0.000 0.970 32 K CB 0.446 32.934 32.500 -0.020 0.000 0.934 32 K HN 0.457 nan 8.250 nan 0.000 0.479 33 L N 2.346 123.557 121.223 -0.020 0.000 2.397 33 L HA 0.140 4.480 4.340 -0.001 0.000 0.271 33 L C 0.985 177.846 176.870 -0.016 0.000 1.148 33 L CA -0.267 54.562 54.840 -0.019 0.000 0.825 33 L CB 0.798 42.842 42.059 -0.025 0.000 1.117 33 L HN 0.798 nan 8.230 nan 0.000 0.456 34 T N -1.593 112.954 114.554 -0.011 0.000 2.948 34 T HA 0.439 4.789 4.350 -0.001 0.000 0.285 34 T C 1.233 175.933 174.700 0.000 0.000 1.019 34 T CA -0.817 61.283 62.100 -0.001 0.000 1.013 34 T CB 1.493 70.367 68.868 0.010 0.000 1.117 34 T HN 0.413 nan 8.240 nan 0.000 0.533 35 I N 0.823 121.406 120.570 0.021 0.000 2.286 35 I HA -0.144 4.026 4.170 -0.001 0.000 0.248 35 I C 2.703 178.827 176.117 0.012 0.000 1.115 35 I CA 1.478 62.797 61.300 0.032 0.000 1.392 35 I CB -0.493 37.559 38.000 0.086 0.000 1.065 35 I HN 0.763 nan 8.210 nan 0.000 0.418 36 N N 0.869 119.601 118.700 0.054 0.000 2.104 36 N HA -0.229 4.511 4.740 -0.001 0.000 0.190 36 N C 1.516 176.990 175.510 -0.059 0.000 1.024 36 N CA 1.592 54.666 53.050 0.040 0.000 0.853 36 N CB 0.059 38.603 38.487 0.094 0.000 1.008 36 N HN 0.202 nan 8.380 nan 0.000 0.424 37 D N -0.395 119.984 120.400 -0.035 0.000 2.104 37 D HA -0.126 4.513 4.640 -0.001 0.000 0.194 37 D C 2.026 178.281 176.300 -0.076 0.000 0.994 37 D CA 0.932 54.904 54.000 -0.045 0.000 0.830 37 D CB -0.438 40.345 40.800 -0.028 0.000 0.959 37 D HN 0.125 nan 8.370 nan 0.000 0.452 38 V N 1.608 121.473 119.914 -0.081 0.000 2.343 38 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 38 V C 2.586 178.587 176.094 -0.155 0.000 1.051 38 V CA 1.797 64.041 62.300 -0.093 0.000 1.036 38 V CB -0.848 30.933 31.823 -0.070 0.000 0.654 38 V HN 0.175 nan 8.190 nan 0.000 0.451 39 A N 0.164 122.821 122.820 -0.272 0.000 1.908 39 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 39 A C 2.380 179.772 177.584 -0.321 0.000 1.181 39 A CA 1.937 53.691 52.037 -0.471 0.000 0.627 39 A CB -0.488 17.776 19.000 -1.227 0.000 0.818 39 A HN 0.539 nan 8.150 nan 0.000 0.445 40 R N -0.744 119.619 120.500 -0.228 0.000 2.081 40 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 40 R C 2.029 178.278 176.300 -0.085 0.000 1.131 40 R CA 1.498 57.523 56.100 -0.124 0.000 0.960 40 R CB -0.628 29.628 30.300 -0.074 0.000 0.856 40 R HN 0.396 nan 8.270 nan 0.000 0.436 41 V N 1.019 120.885 119.914 -0.080 0.000 2.358 41 V HA -0.201 3.919 4.120 -0.001 0.000 0.246 41 V C 2.440 178.503 176.094 -0.051 0.000 1.047 41 V CA 1.962 64.230 62.300 -0.053 0.000 1.035 41 V CB -0.657 31.139 31.823 -0.045 0.000 0.658 41 V HN 0.403 nan 8.190 nan 0.000 0.452 42 A N -0.164 122.613 122.820 -0.072 0.000 1.873 42 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 42 A C 2.371 179.924 177.584 -0.051 0.000 1.186 42 A CA 1.341 53.343 52.037 -0.059 0.000 0.616 42 A CB -0.287 18.670 19.000 -0.072 0.000 0.823 42 A HN 0.418 nan 8.150 nan 0.000 0.442 43 R N -0.608 119.847 120.500 -0.074 0.000 2.175 43 R HA 0.103 4.442 4.340 -0.001 0.000 0.202 43 R C 0.496 176.780 176.300 -0.027 0.000 1.018 43 R CA 0.765 56.837 56.100 -0.047 0.000 1.029 43 R CB -0.389 29.877 30.300 -0.057 0.000 0.959 43 R HN 0.497 nan 8.270 nan 0.000 0.480 44 N N 0.148 118.826 118.700 -0.037 0.000 2.236 44 N HA 0.052 4.792 4.740 -0.001 0.000 0.196 44 N C 0.733 176.235 175.510 -0.012 0.000 1.114 44 N CA 0.756 53.796 53.050 -0.018 0.000 0.859 44 N CB 0.923 39.400 38.487 -0.018 0.000 0.982 44 N HN 0.313 nan 8.380 nan 0.000 0.493 45 G N 1.224 110.015 108.800 -0.015 0.000 2.225 45 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.267 45 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.267 45 G C 0.085 174.981 174.900 -0.007 0.000 1.024 45 G CA 0.570 45.666 45.100 -0.007 0.000 0.784 45 G HN 0.280 nan 8.290 nan 0.000 0.507 46 T N 1.125 115.671 114.554 -0.015 0.000 2.902 46 T HA 0.351 4.701 4.350 -0.001 0.000 0.301 46 T C 1.288 175.983 174.700 -0.008 0.000 1.012 46 T CA -0.046 62.047 62.100 -0.012 0.000 1.151 46 T CB 0.743 69.600 68.868 -0.019 0.000 0.946 46 T HN 0.358 nan 8.240 nan 0.000 0.542 47 L N 3.297 124.518 121.223 -0.003 0.000 2.461 47 L HA 0.314 4.653 4.340 -0.001 0.000 0.272 47 L C 0.204 177.073 176.870 -0.003 0.000 1.197 47 L CA -0.416 54.424 54.840 0.000 0.000 0.836 47 L CB 0.269 42.330 42.059 0.004 0.000 1.105 47 L HN 0.333 nan 8.230 nan 0.000 0.477 48 V N 1.512 121.425 119.914 -0.001 0.000 2.815 48 V HA 0.576 4.696 4.120 -0.001 0.000 0.314 48 V C -0.253 175.841 176.094 -0.000 0.000 1.064 48 V CA -0.462 61.836 62.300 -0.003 0.000 0.952 48 V CB 2.167 33.986 31.823 -0.006 0.000 1.020 48 V HN 0.837 nan 8.190 nan 0.000 0.439 49 S N 2.755 118.454 115.700 -0.002 0.000 2.546 49 S HA 0.625 5.095 4.470 -0.001 0.000 0.272 49 S C -0.859 173.740 174.600 -0.002 0.000 1.140 49 S CA -0.617 57.583 58.200 -0.000 0.000 0.920 49 S CB 1.515 64.715 63.200 0.001 0.000 1.083 49 S HN 0.527 nan 8.310 nan 0.000 0.476 50 L N 1.958 123.180 121.223 -0.001 0.000 2.417 50 L HA 0.365 4.705 4.340 -0.001 0.000 0.268 50 L C 1.249 178.119 176.870 -0.001 0.000 1.158 50 L CA -0.367 54.472 54.840 -0.001 0.000 0.819 50 L CB 0.633 42.692 42.059 0.001 0.000 1.112 50 L HN 0.607 nan 8.230 nan 0.000 0.458 51 T N 1.164 115.717 114.554 -0.001 0.000 2.903 51 T HA -0.014 4.336 4.350 -0.001 0.000 0.314 51 T C 1.176 175.876 174.700 -0.000 0.000 1.078 51 T CA -0.374 61.726 62.100 -0.001 0.000 1.114 51 T CB 0.302 69.169 68.868 -0.002 0.000 0.987 51 T HN 0.829 nan 8.240 nan 0.000 0.548 52 N N 3.195 121.894 118.700 -0.001 0.000 2.299 52 N HA -0.063 4.677 4.740 -0.001 0.000 0.187 52 N C 0.444 175.954 175.510 -0.001 0.000 1.099 52 N CA -0.256 52.794 53.050 -0.000 0.000 0.867 52 N CB -0.381 38.106 38.487 -0.000 0.000 0.974 52 N HN 0.551 nan 8.380 nan 0.000 0.477 53 N N 2.690 121.390 118.700 -0.001 0.000 2.332 53 N HA -0.092 4.647 4.740 -0.001 0.000 0.274 53 N C 1.043 176.553 175.510 -0.001 0.000 1.351 53 N CA 0.574 53.624 53.050 -0.001 0.000 0.875 53 N CB 0.760 39.246 38.487 -0.002 0.000 1.140 53 N HN 0.324 nan 8.380 nan 0.000 0.489 54 T N 0.631 115.185 114.554 -0.001 0.000 2.881 54 T HA -0.139 4.211 4.350 -0.001 0.000 0.270 54 T C 0.998 175.697 174.700 -0.001 0.000 1.068 54 T CA 1.132 63.232 62.100 -0.001 0.000 1.131 54 T CB 0.061 68.929 68.868 -0.001 0.000 0.871 54 T HN 0.458 nan 8.240 nan 0.000 0.479 55 D N 1.307 121.706 120.400 -0.001 0.000 2.144 55 D HA -0.008 4.632 4.640 -0.001 0.000 0.200 55 D C 2.146 178.445 176.300 -0.002 0.000 0.978 55 D CA 0.742 54.741 54.000 -0.002 0.000 0.833 55 D CB -0.055 40.744 40.800 -0.002 0.000 0.961 55 D HN 0.343 nan 8.370 nan 0.000 0.470 56 I N 1.291 121.860 120.570 -0.001 0.000 2.163 56 I HA -0.180 3.989 4.170 -0.001 0.000 0.240 56 I C 2.664 178.781 176.117 0.000 0.000 1.081 56 I CA 0.754 62.054 61.300 -0.000 0.000 1.353 56 I CB -1.131 36.869 38.000 0.000 0.000 1.054 56 I HN 0.020 nan 8.210 nan 0.000 0.407 57 L N 0.184 121.407 121.223 -0.000 0.000 2.127 57 L HA -0.252 4.087 4.340 -0.001 0.000 0.211 57 L C 2.617 179.486 176.870 -0.002 0.000 1.089 57 L CA 1.142 55.981 54.840 -0.001 0.000 0.757 57 L CB -0.626 41.433 42.059 -0.002 0.000 0.899 57 L HN 0.300 nan 8.230 nan 0.000 0.434 58 Q N 0.639 120.438 119.800 -0.001 0.000 2.046 58 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 58 Q C 2.156 178.155 176.000 -0.001 0.000 0.975 58 Q CA 2.045 57.847 55.803 -0.001 0.000 0.836 58 Q CB -0.634 28.104 28.738 -0.001 0.000 0.896 58 Q HN 0.359 nan 8.270 nan 0.000 0.428 59 G N 0.561 109.359 108.800 -0.003 0.000 2.440 59 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 59 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 59 G C 1.477 176.374 174.900 -0.005 0.000 1.154 59 G CA 0.996 46.093 45.100 -0.005 0.000 0.767 59 G HN 0.424 nan 8.290 nan 0.000 0.552 60 I N 0.118 120.686 120.570 -0.003 0.000 2.179 60 I HA -0.202 3.967 4.170 -0.001 0.000 0.242 60 I C 2.829 178.941 176.117 -0.009 0.000 1.088 60 I CA 1.541 62.837 61.300 -0.007 0.000 1.357 60 I CB -0.162 37.835 38.000 -0.006 0.000 1.051 60 I HN 0.199 nan 8.210 nan 0.000 0.409 61 Q N 1.266 121.062 119.800 -0.005 0.000 2.079 61 Q HA -0.132 4.208 4.340 -0.001 0.000 0.200 61 Q C 2.152 178.156 176.000 0.008 0.000 0.974 61 Q CA 2.113 57.914 55.803 -0.002 0.000 0.840 61 Q CB -0.349 28.388 28.738 -0.002 0.000 0.898 61 Q HN 0.467 nan 8.270 nan 0.000 0.430 62 A N 0.033 122.859 122.820 0.009 0.000 1.908 62 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 62 A C 2.274 179.883 177.584 0.041 0.000 1.181 62 A CA 2.404 54.453 52.037 0.021 0.000 0.627 62 A CB -1.127 17.878 19.000 0.008 0.000 0.818 62 A HN 0.617 nan 8.150 nan 0.000 0.445 63 S N -1.119 114.595 115.700 0.022 0.000 2.423 63 S HA -0.171 4.299 4.470 -0.001 0.000 0.231 63 S C 1.884 176.530 174.600 0.078 0.000 1.014 63 S CA 1.275 59.498 58.200 0.038 0.000 0.965 63 S CB -1.224 61.974 63.200 -0.003 0.000 0.785 63 S HN 0.586 nan 8.310 nan 0.000 0.495 64 C N 2.216 121.538 119.300 0.036 0.000 2.446 64 C HA -0.001 4.458 4.460 -0.001 0.000 0.277 64 C C 2.591 177.602 174.990 0.035 0.000 1.275 64 C CA 0.608 59.639 59.018 0.021 0.000 1.727 64 C CB -1.176 26.561 27.740 -0.006 0.000 2.010 64 C HN 0.574 nan 8.230 nan 0.000 0.486 65 D N -0.363 120.063 120.400 0.043 0.000 2.149 65 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 65 D C 1.682 178.015 176.300 0.055 0.000 0.990 65 D CA 1.348 55.370 54.000 0.037 0.000 0.839 65 D CB -0.529 40.295 40.800 0.039 0.000 0.948 65 D HN 0.643 nan 8.370 nan 0.000 0.460 66 Y N 1.533 121.817 120.300 -0.026 0.000 2.128 66 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 66 Y C 2.152 178.035 175.900 -0.029 0.000 1.154 66 Y CA 1.277 59.360 58.100 -0.029 0.000 1.149 66 Y CB -0.185 38.255 38.460 -0.034 0.000 0.976 66 Y HN -0.128 nan 8.280 nan 0.000 0.505 67 I N 0.634 121.202 120.570 -0.004 0.000 2.252 67 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 67 I C 1.900 177.951 176.117 -0.110 0.000 1.102 67 I CA 1.220 62.469 61.300 -0.085 0.000 1.385 67 I CB -1.467 36.538 38.000 0.008 0.000 1.064 67 I HN 0.369 nan 8.210 nan 0.000 0.414 68 N N 1.791 120.452 118.700 -0.065 0.000 2.025 68 N HA -0.200 4.539 4.740 -0.001 0.000 0.194 68 N C 1.527 176.986 175.510 -0.084 0.000 1.044 68 N CA 1.562 54.576 53.050 -0.059 0.000 0.851 68 N CB -0.806 37.660 38.487 -0.035 0.000 1.036 68 N HN 0.359 nan 8.380 nan 0.000 0.422 69 N N 1.019 119.662 118.700 -0.095 0.000 2.272 69 N HA -0.063 4.677 4.740 -0.001 0.000 0.185 69 N C 1.531 176.946 175.510 -0.158 0.000 1.014 69 N CA 1.093 54.080 53.050 -0.105 0.000 0.870 69 N CB -0.268 38.166 38.487 -0.088 0.000 0.975 69 N HN 0.305 nan 8.380 nan 0.000 0.433 70 A N -0.115 122.557 122.820 -0.246 0.000 1.968 70 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 70 A C 2.152 179.645 177.584 -0.153 0.000 1.169 70 A CA 0.858 52.730 52.037 -0.276 0.000 0.638 70 A CB -0.327 18.416 19.000 -0.427 0.000 0.812 70 A HN 0.124 nan 8.150 nan 0.000 0.446 71 V N 0.060 119.905 119.914 -0.116 0.000 2.719 71 V HA -0.155 3.965 4.120 -0.001 0.000 0.252 71 V C 2.076 178.135 176.094 -0.059 0.000 1.065 71 V CA 1.752 64.009 62.300 -0.072 0.000 1.086 71 V CB -0.667 31.123 31.823 -0.055 0.000 0.700 71 V HN 0.614 nan 8.190 nan 0.000 0.467 72 E N -0.339 119.822 120.200 -0.064 0.000 2.347 72 E HA -0.070 4.279 4.350 -0.001 0.000 0.196 72 E C 1.802 178.374 176.600 -0.048 0.000 1.008 72 E CA 1.049 57.420 56.400 -0.049 0.000 0.852 72 E CB 0.184 29.856 29.700 -0.047 0.000 0.783 72 E HN 0.541 nan 8.360 nan 0.000 0.505 73 S N -1.116 114.546 115.700 -0.062 0.000 3.853 73 S HA 0.557 5.027 4.470 -0.001 0.000 0.186 73 S C 0.269 174.838 174.600 -0.051 0.000 0.956 73 S CA 0.054 58.221 58.200 -0.055 0.000 1.468 73 S CB 0.832 63.992 63.200 -0.065 0.000 0.854 73 S HN 0.183 nan 8.310 nan 0.000 0.807 93 S N 1.003 116.699 115.700 -0.008 0.000 3.027 93 S HA -0.105 4.365 4.470 -0.001 0.000 0.857 93 S C 1.033 175.629 174.600 -0.006 0.000 0.980 93 S CA 1.288 59.484 58.200 -0.006 0.000 1.337 93 S CB 0.004 63.203 63.200 -0.002 0.000 0.952 93 S HN 0.701 nan 8.310 nan 0.000 0.241 94 R N 4.166 124.661 120.500 -0.008 0.000 2.060 94 R HA 0.093 4.432 4.340 -0.001 0.000 0.225 94 R C 2.000 178.298 176.300 -0.003 0.000 1.155 94 R CA 2.318 58.413 56.100 -0.009 0.000 0.930 94 R CB -1.747 28.546 30.300 -0.012 0.000 0.829 94 R HN 0.903 nan 8.270 nan 0.000 0.433 95 E N 0.366 120.566 120.200 -0.000 0.000 2.097 95 E HA -0.288 4.062 4.350 -0.001 0.000 0.196 95 E C 2.281 178.887 176.600 0.011 0.000 1.000 95 E CA 1.573 57.976 56.400 0.005 0.000 0.804 95 E CB -0.096 29.607 29.700 0.005 0.000 0.740 95 E HN 0.728 nan 8.360 nan 0.000 0.454 96 Q N 0.390 120.196 119.800 0.009 0.000 2.170 96 Q HA -0.141 4.199 4.340 -0.001 0.000 0.203 96 Q C 2.035 178.046 176.000 0.019 0.000 0.976 96 Q CA 1.283 57.094 55.803 0.014 0.000 0.858 96 Q CB -0.048 28.695 28.738 0.010 0.000 0.907 96 Q HN 0.232 nan 8.270 nan 0.000 0.433 97 A N -0.393 122.435 122.820 0.013 0.000 2.014 97 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 97 A C 2.107 179.702 177.584 0.019 0.000 1.163 97 A CA 1.388 53.434 52.037 0.016 0.000 0.652 97 A CB -0.160 18.843 19.000 0.005 0.000 0.808 97 A HN 0.373 nan 8.150 nan 0.000 0.449 98 S N -0.341 115.368 115.700 0.016 0.000 2.406 98 S HA -0.060 4.410 4.470 -0.001 0.000 0.224 98 S C 1.729 176.349 174.600 0.033 0.000 1.030 98 S CA 1.088 59.297 58.200 0.016 0.000 0.958 98 S CB -0.142 63.063 63.200 0.008 0.000 0.811 98 S HN 0.705 nan 8.310 nan 0.000 0.489 99 E N 1.170 121.394 120.200 0.040 0.000 2.110 99 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 99 E C 1.997 178.646 176.600 0.082 0.000 0.988 99 E CA 0.823 57.259 56.400 0.060 0.000 0.804 99 E CB -0.229 29.500 29.700 0.049 0.000 0.745 99 E HN 0.243 nan 8.360 nan 0.000 0.458 100 L N 1.082 122.346 121.223 0.070 0.000 2.017 100 L HA -0.236 4.104 4.340 -0.001 0.000 0.208 100 L C 2.047 178.979 176.870 0.104 0.000 1.073 100 L CA 1.769 56.662 54.840 0.089 0.000 0.745 100 L CB -0.248 41.852 42.059 0.068 0.000 0.894 100 L HN 0.042 nan 8.230 nan 0.000 0.432 101 Q N -0.900 118.940 119.800 0.066 0.000 2.119 101 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 101 Q C 2.161 178.183 176.000 0.037 0.000 0.972 101 Q CA 2.079 57.908 55.803 0.042 0.000 0.847 101 Q CB -0.789 27.955 28.738 0.010 0.000 0.903 101 Q HN 0.551 nan 8.270 nan 0.000 0.433 102 T N 1.235 115.825 114.554 0.060 0.000 2.857 102 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 102 T C 1.690 176.499 174.700 0.183 0.000 1.048 102 T CA 1.322 63.467 62.100 0.075 0.000 1.139 102 T CB -0.247 68.686 68.868 0.108 0.000 0.874 102 T HN 0.284 nan 8.240 nan 0.000 0.455 103 N N 0.834 119.679 118.700 0.242 0.000 2.223 103 N HA -0.046 4.694 4.740 -0.001 0.000 0.185 103 N C 1.667 177.394 175.510 0.363 0.000 1.016 103 N CA 0.469 53.737 53.050 0.364 0.000 0.863 103 N CB -0.415 38.245 38.487 0.288 0.000 0.983 103 N HN 0.132 nan 8.380 nan 0.000 0.429 104 L N 0.096 121.448 121.223 0.214 0.000 2.043 104 L HA -0.129 4.211 4.340 -0.001 0.000 0.212 104 L C 1.957 178.652 176.870 -0.292 0.000 1.075 104 L CA 1.399 56.227 54.840 -0.019 0.000 0.752 104 L CB -0.711 41.347 42.059 -0.001 0.000 0.891 104 L HN 0.062 nan 8.230 nan 0.000 0.432 105 V N -1.710 118.106 119.914 -0.163 0.000 2.392 105 V HA -0.324 3.796 4.120 -0.001 0.000 0.249 105 V C 2.183 178.152 176.094 -0.208 0.000 1.059 105 V CA 2.159 64.307 62.300 -0.254 0.000 1.051 105 V CB -0.981 30.622 31.823 -0.366 0.000 0.658 105 V HN 0.550 nan 8.190 nan 0.000 0.455 106 W N 0.292 121.587 121.300 -0.008 0.000 2.378 106 W HA -0.136 4.524 4.660 -0.001 0.000 0.313 106 W C 2.394 178.940 176.519 0.045 0.000 1.197 106 W CA 1.386 58.764 57.345 0.054 0.000 1.304 106 W CB -0.593 28.931 29.460 0.106 0.000 1.148 106 W HN 0.420 nan 8.180 nan 0.000 0.494 107 F N -1.054 119.056 119.950 0.267 0.000 2.699 107 F HA 0.127 4.654 4.527 -0.001 0.000 0.298 107 F C 1.275 177.143 175.800 0.112 0.000 1.154 107 F CA 0.975 59.072 58.000 0.160 0.000 1.457 107 F CB -1.008 38.058 39.000 0.110 0.000 1.106 107 F HN -0.165 nan 8.300 nan 0.000 0.585 108 L N 0.580 121.580 121.223 -0.371 0.000 2.607 108 L HA 0.148 4.488 4.340 -0.001 0.000 0.228 108 L C 1.211 178.043 176.870 -0.064 0.000 1.123 108 L CA 0.120 54.791 54.840 -0.282 0.000 0.890 108 L CB -0.250 41.556 42.059 -0.423 0.000 1.103 108 L HN 0.040 nan 8.230 nan 0.000 0.468 109 K N 1.565 121.925 120.400 -0.068 0.000 2.737 109 K HA 0.047 4.367 4.320 -0.001 0.000 0.251 109 K C 0.371 177.033 176.600 0.103 0.000 1.280 109 K CA 0.091 56.281 56.287 -0.162 0.000 1.219 109 K CB -0.188 32.122 32.500 -0.316 0.000 1.587 109 K HN 0.106 nan 8.250 nan 0.000 0.279 110 T N -1.954 112.730 114.554 0.217 0.000 3.380 110 T HA 0.247 4.597 4.350 -0.001 0.000 0.289 110 T C 0.652 175.436 174.700 0.140 0.000 1.012 110 T CA -0.722 61.478 62.100 0.166 0.000 0.944 110 T CB 0.819 69.760 68.868 0.122 0.000 1.172 110 T HN 0.240 nan 8.240 nan 0.000 0.502 111 G N 0.716 109.666 108.800 0.251 0.000 2.634 111 G HA2 0.648 4.608 3.960 -0.001 0.000 0.255 111 G HA3 0.648 4.608 3.960 -0.001 0.000 0.255 111 G C -0.325 174.208 174.900 -0.612 0.000 1.205 111 G CA -0.205 44.867 45.100 -0.046 0.000 0.884 111 G HN 0.939 nan 8.290 nan 0.000 0.549 112 A N -1.332 121.147 122.820 -0.568 0.000 2.599 112 A HA 1.002 5.322 4.320 -0.001 0.000 0.290 112 A C 0.284 177.707 177.584 -0.269 0.000 1.101 112 A CA 0.494 52.214 52.037 -0.530 0.000 0.674 112 A CB 1.015 19.974 19.000 -0.067 0.000 1.277 112 A HN 2.731 nan 8.150 nan 0.000 0.419 113 G N 0.401 109.101 108.800 -0.166 0.000 2.587 113 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.212 113 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.212 113 G C -0.622 174.199 174.900 -0.131 0.000 1.327 113 G CA -0.262 44.669 45.100 -0.281 0.000 0.898 113 G HN 1.202 nan 8.290 nan 0.000 0.551 114 N N 0.996 119.566 118.700 -0.217 0.000 2.467 114 N HA 0.334 5.073 4.740 -0.001 0.000 0.262 114 N C 0.435 175.888 175.510 -0.096 0.000 1.234 114 N CA -0.153 52.833 53.050 -0.108 0.000 0.952 114 N CB 0.517 38.933 38.487 -0.118 0.000 1.158 114 N HN 0.505 nan 8.380 nan 0.000 0.463 115 K N 1.051 121.376 120.400 -0.125 0.000 2.202 115 K HA 0.294 4.614 4.320 -0.001 0.000 0.264 115 K C 0.447 176.964 176.600 -0.138 0.000 1.010 115 K CA -0.379 55.794 56.287 -0.188 0.000 0.940 115 K CB 0.728 33.038 32.500 -0.317 0.000 0.983 115 K HN 0.393 nan 8.250 nan 0.000 0.475 116 L N 2.683 123.840 121.223 -0.110 0.000 2.453 116 L HA 0.179 4.518 4.340 -0.001 0.000 0.261 116 L C -1.814 175.019 176.870 -0.063 0.000 1.179 116 L CA -1.854 52.940 54.840 -0.076 0.000 0.813 116 L CB 0.122 42.158 42.059 -0.039 0.000 1.110 116 L HN 0.296 nan 8.230 nan 0.000 0.466 117 P HA 0.073 nan 4.420 nan 0.000 0.271 117 P C 0.761 178.055 177.300 -0.011 0.000 1.218 117 P CA -0.283 62.798 63.100 -0.032 0.000 0.780 117 P CB 0.620 32.303 31.700 -0.027 0.000 0.901 118 L N 1.628 122.854 121.223 0.005 0.000 2.079 118 L HA -0.273 4.067 4.340 -0.001 0.000 0.210 118 L C 2.270 179.148 176.870 0.013 0.000 1.081 118 L CA 2.015 56.870 54.840 0.025 0.000 0.752 118 L CB -0.964 41.118 42.059 0.037 0.000 0.896 118 L HN 0.467 nan 8.230 nan 0.000 0.433 119 A N -0.160 122.661 122.820 0.002 0.000 1.940 119 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 119 A C 1.917 179.494 177.584 -0.012 0.000 1.176 119 A CA 1.981 54.013 52.037 -0.008 0.000 0.631 119 A CB -0.455 18.537 19.000 -0.013 0.000 0.814 119 A HN 0.384 nan 8.150 nan 0.000 0.446 120 D N -0.356 120.037 120.400 -0.011 0.000 2.178 120 D HA -0.072 4.567 4.640 -0.001 0.000 0.202 120 D C 2.000 178.302 176.300 0.003 0.000 0.974 120 D CA 1.309 55.301 54.000 -0.013 0.000 0.841 120 D CB -0.231 40.551 40.800 -0.029 0.000 0.953 120 D HN 0.266 nan 8.370 nan 0.000 0.478 121 V N 0.979 120.902 119.914 0.015 0.000 2.548 121 V HA -0.143 3.976 4.120 -0.001 0.000 0.249 121 V C 2.422 178.531 176.094 0.026 0.000 1.055 121 V CA 1.180 63.500 62.300 0.033 0.000 1.065 121 V CB -0.309 31.544 31.823 0.050 0.000 0.681 121 V HN 0.088 nan 8.190 nan 0.000 0.462 122 R N 0.368 120.877 120.500 0.015 0.000 2.075 122 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 122 R C 2.466 178.762 176.300 -0.007 0.000 1.126 122 R CA 1.408 57.512 56.100 0.007 0.000 0.963 122 R CB -0.559 29.740 30.300 -0.001 0.000 0.858 122 R HN 0.517 nan 8.270 nan 0.000 0.435 123 A N 1.295 124.107 122.820 -0.014 0.000 1.902 123 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 123 A C 2.366 179.940 177.584 -0.017 0.000 1.181 123 A CA 1.694 53.717 52.037 -0.023 0.000 0.623 123 A CB -0.621 18.363 19.000 -0.026 0.000 0.818 123 A HN 0.398 nan 8.150 nan 0.000 0.443 124 A N -0.503 122.316 122.820 -0.002 0.000 1.902 124 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 124 A C 2.274 179.845 177.584 -0.021 0.000 1.181 124 A CA 1.843 53.882 52.037 0.003 0.000 0.623 124 A CB -0.536 18.484 19.000 0.033 0.000 0.818 124 A HN 0.536 nan 8.150 nan 0.000 0.443 125 M N -1.334 118.255 119.600 -0.017 0.000 2.132 125 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 125 M C 2.226 178.493 176.300 -0.055 0.000 1.065 125 M CA 1.370 56.648 55.300 -0.037 0.000 1.122 125 M CB -0.449 32.144 32.600 -0.012 0.000 1.365 125 M HN 0.474 nan 8.290 nan 0.000 0.411 126 L N 0.961 122.159 121.223 -0.041 0.000 2.042 126 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 126 L C 2.052 178.883 176.870 -0.064 0.000 1.076 126 L CA 1.843 56.655 54.840 -0.046 0.000 0.749 126 L CB -0.569 41.467 42.059 -0.038 0.000 0.893 126 L HN 0.251 nan 8.230 nan 0.000 0.432 127 L N -1.044 120.141 121.223 -0.064 0.000 2.109 127 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 127 L C 2.735 179.528 176.870 -0.129 0.000 1.086 127 L CA 1.203 55.999 54.840 -0.074 0.000 0.760 127 L CB -0.611 41.419 42.059 -0.049 0.000 0.910 127 L HN 0.289 nan 8.230 nan 0.000 0.437 128 R N 1.088 121.491 120.500 -0.161 0.000 2.073 128 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 128 R C 2.289 178.287 176.300 -0.503 0.000 1.134 128 R CA 1.833 57.746 56.100 -0.312 0.000 0.952 128 R CB -0.610 29.541 30.300 -0.247 0.000 0.850 128 R HN 0.276 nan 8.270 nan 0.000 0.433 129 A N 0.341 122.992 122.820 -0.282 0.000 1.933 129 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 129 A C 2.052 179.564 177.584 -0.120 0.000 1.175 129 A CA 1.860 53.794 52.037 -0.172 0.000 0.628 129 A CB -0.933 18.025 19.000 -0.070 0.000 0.814 129 A HN 0.563 nan 8.150 nan 0.000 0.444 130 N N -0.208 118.426 118.700 -0.111 0.000 2.223 130 N HA -0.132 4.608 4.740 -0.001 0.000 0.185 130 N C 1.889 177.362 175.510 -0.063 0.000 1.016 130 N CA 1.749 54.759 53.050 -0.067 0.000 0.863 130 N CB -0.259 38.193 38.487 -0.059 0.000 0.983 130 N HN 0.359 nan 8.380 nan 0.000 0.429 131 S N -1.137 114.492 115.700 -0.118 0.000 2.371 131 S HA -0.078 4.392 4.470 -0.001 0.000 0.224 131 S C 1.611 176.227 174.600 0.027 0.000 1.029 131 S CA 0.984 59.140 58.200 -0.074 0.000 0.978 131 S CB -0.471 62.654 63.200 -0.124 0.000 0.833 131 S HN 0.557 nan 8.310 nan 0.000 0.466 132 H N 0.077 119.136 119.070 -0.019 0.000 2.421 132 H HA 0.016 4.571 4.556 -0.001 0.000 0.298 132 H C 1.971 177.287 175.328 -0.020 0.000 1.087 132 H CA 1.277 57.313 56.048 -0.021 0.000 1.330 132 H CB -0.032 29.713 29.762 -0.029 0.000 1.388 132 H HN 0.347 nan 8.280 nan 0.000 0.526 133 M N 0.402 120.062 119.600 0.100 0.000 2.446 133 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 133 M C 1.620 177.938 176.300 0.029 0.000 1.066 133 M CA 0.980 56.308 55.300 0.047 0.000 1.087 133 M CB -0.467 32.145 32.600 0.021 0.000 1.406 133 M HN 0.229 nan 8.290 nan 0.000 0.459 134 R N 0.120 120.639 120.500 0.032 0.000 2.237 134 R HA 0.034 4.373 4.340 -0.001 0.000 0.219 134 R C 1.348 177.655 176.300 0.013 0.000 1.080 134 R CA 0.878 56.987 56.100 0.016 0.000 0.995 134 R CB -0.878 29.430 30.300 0.014 0.000 0.875 134 R HN 0.589 nan 8.270 nan 0.000 0.462 135 G N -0.385 108.427 108.800 0.019 0.000 2.160 135 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.251 135 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.251 135 G C 0.596 175.493 174.900 -0.005 0.000 1.008 135 G CA 0.474 45.576 45.100 0.005 0.000 0.724 135 G HN 0.526 nan 8.290 nan 0.000 0.514 136 A N -0.778 122.044 122.820 0.004 0.000 2.470 136 A HA 0.714 5.034 4.320 -0.001 0.000 0.251 136 A C 1.925 179.508 177.584 -0.001 0.000 1.245 136 A CA 1.489 53.522 52.037 -0.007 0.000 0.932 136 A CB 0.199 19.201 19.000 0.003 0.000 1.037 136 A HN 0.695 nan 8.150 nan 0.000 0.522 137 S N -0.950 114.752 115.700 0.004 0.000 2.492 137 S HA 0.346 4.815 4.470 -0.001 0.000 0.218 137 S C 1.397 175.971 174.600 -0.043 0.000 1.016 137 S CA 0.621 58.815 58.200 -0.010 0.000 0.916 137 S CB 0.190 63.389 63.200 -0.001 0.000 0.791 137 S HN 1.618 nan 8.310 nan 0.000 0.513 138 G N 1.914 110.689 108.800 -0.041 0.000 2.225 138 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.264 138 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.264 138 G C -0.139 174.715 174.900 -0.078 0.000 1.060 138 G CA 0.291 45.374 45.100 -0.028 0.000 0.833 138 G HN 0.545 nan 8.290 nan 0.000 0.498 139 I N -0.445 120.041 120.570 -0.142 0.000 2.493 139 I HA 0.601 4.771 4.170 -0.001 0.000 0.298 139 I C 0.719 176.751 176.117 -0.141 0.000 0.998 139 I CA -1.585 59.596 61.300 -0.198 0.000 1.137 139 I CB 0.849 38.591 38.000 -0.429 0.000 1.310 139 I HN 0.146 nan 8.210 nan 0.000 0.445 140 R N 4.919 125.352 120.500 -0.112 0.000 2.570 140 R HA 0.016 4.356 4.340 -0.001 0.000 0.277 140 R C 0.896 177.154 176.300 -0.070 0.000 1.039 140 R CA -0.318 55.736 56.100 -0.076 0.000 1.065 140 R CB 0.550 30.811 30.300 -0.065 0.000 0.964 140 R HN 0.601 nan 8.270 nan 0.000 0.428 141 L N 3.362 124.557 121.223 -0.045 0.000 2.127 141 L HA -0.218 4.122 4.340 -0.001 0.000 0.211 141 L C 2.029 178.879 176.870 -0.033 0.000 1.089 141 L CA 1.972 56.794 54.840 -0.030 0.000 0.757 141 L CB -0.490 41.558 42.059 -0.019 0.000 0.899 141 L HN 0.744 nan 8.230 nan 0.000 0.434 142 E N -1.067 119.109 120.200 -0.039 0.000 2.153 142 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 142 E C 2.057 178.620 176.600 -0.061 0.000 0.988 142 E CA 1.199 57.574 56.400 -0.042 0.000 0.811 142 E CB -0.140 29.536 29.700 -0.040 0.000 0.746 142 E HN 0.477 nan 8.360 nan 0.000 0.466 143 L N 0.674 121.852 121.223 -0.073 0.000 2.209 143 L HA 0.040 4.380 4.340 -0.001 0.000 0.207 143 L C 1.952 178.778 176.870 -0.072 0.000 1.094 143 L CA 1.178 55.961 54.840 -0.096 0.000 0.790 143 L CB -0.135 41.856 42.059 -0.113 0.000 0.932 143 L HN 0.219 nan 8.230 nan 0.000 0.447 144 I N -0.660 119.893 120.570 -0.028 0.000 2.315 144 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 144 I C 2.328 178.436 176.117 -0.016 0.000 1.117 144 I CA 0.973 62.292 61.300 0.031 0.000 1.404 144 I CB -0.351 37.686 38.000 0.062 0.000 1.071 144 I HN 0.181 nan 8.210 nan 0.000 0.419 145 K N 1.544 121.927 120.400 -0.029 0.000 2.148 145 K HA -0.195 4.124 4.320 -0.001 0.000 0.204 145 K C 2.144 178.716 176.600 -0.046 0.000 1.050 145 K CA 1.239 57.510 56.287 -0.027 0.000 0.942 145 K CB -0.174 32.314 32.500 -0.020 0.000 0.724 145 K HN -0.059 nan 8.250 nan 0.000 0.446 146 R N 0.248 120.692 120.500 -0.095 0.000 2.105 146 R HA 0.018 4.357 4.340 -0.001 0.000 0.239 146 R C 1.921 178.073 176.300 -0.247 0.000 1.135 146 R CA 1.871 57.865 56.100 -0.176 0.000 0.967 146 R CB -0.284 29.849 30.300 -0.279 0.000 0.861 146 R HN 0.331 nan 8.270 nan 0.000 0.442 147 M N -0.365 119.118 119.600 -0.195 0.000 2.254 147 M HA -0.076 4.404 4.480 -0.001 0.000 0.265 147 M C 2.136 178.422 176.300 -0.024 0.000 1.066 147 M CA 1.644 56.855 55.300 -0.149 0.000 1.123 147 M CB -0.247 32.286 32.600 -0.111 0.000 1.388 147 M HN 0.271 nan 8.290 nan 0.000 0.425 148 E N 1.479 121.671 120.200 -0.015 0.000 2.051 148 E HA -0.200 4.150 4.350 -0.001 0.000 0.192 148 E C 1.857 178.484 176.600 0.045 0.000 0.991 148 E CA 1.344 57.751 56.400 0.011 0.000 0.799 148 E CB -0.070 29.633 29.700 0.004 0.000 0.748 148 E HN 0.500 nan 8.360 nan 0.000 0.449 149 I N 0.236 120.844 120.570 0.064 0.000 2.163 149 I HA -0.278 3.891 4.170 -0.001 0.000 0.243 149 I C 2.344 178.561 176.117 0.166 0.000 1.085 149 I CA 1.283 62.647 61.300 0.107 0.000 1.347 149 I CB -0.417 37.660 38.000 0.129 0.000 1.044 149 I HN 0.162 nan 8.210 nan 0.000 0.408 150 F N 0.664 120.552 119.950 -0.105 0.000 2.095 150 F HA -0.256 4.271 4.527 -0.001 0.000 0.298 150 F C 2.455 178.183 175.800 -0.121 0.000 1.104 150 F CA 0.983 58.893 58.000 -0.150 0.000 1.232 150 F CB -0.205 38.710 39.000 -0.141 0.000 0.987 150 F HN -0.008 nan 8.300 nan 0.000 0.475 151 L N -0.170 121.124 121.223 0.118 0.000 2.017 151 L HA -0.269 4.071 4.340 -0.001 0.000 0.208 151 L C 2.001 178.880 176.870 0.015 0.000 1.073 151 L CA 1.159 56.025 54.840 0.043 0.000 0.745 151 L CB -0.636 41.441 42.059 0.029 0.000 0.894 151 L HN 0.162 nan 8.230 nan 0.000 0.432 152 N N -0.054 118.659 118.700 0.021 0.000 2.354 152 N HA -0.059 4.681 4.740 -0.001 0.000 0.179 152 N C 1.668 177.186 175.510 0.014 0.000 1.021 152 N CA 1.240 54.299 53.050 0.016 0.000 0.887 152 N CB -0.078 38.421 38.487 0.021 0.000 0.974 152 N HN 0.274 nan 8.380 nan 0.000 0.437 153 A N 0.007 122.819 122.820 -0.014 0.000 2.178 153 A HA 0.385 4.704 4.320 -0.001 0.000 0.211 153 A C 1.388 178.961 177.584 -0.018 0.000 1.157 153 A CA 0.804 52.831 52.037 -0.017 0.000 0.780 153 A CB -0.276 18.648 19.000 -0.128 0.000 0.828 153 A HN 0.274 nan 8.150 nan 0.000 0.476 154 G N -1.099 107.657 108.800 -0.074 0.000 2.171 154 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.238 154 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.238 154 G C -0.092 174.698 174.900 -0.184 0.000 1.039 154 G CA 0.093 45.166 45.100 -0.045 0.000 0.759 154 G HN 0.844 nan 8.290 nan 0.000 0.501 155 V N 1.057 120.708 119.914 -0.439 0.000 2.350 155 V HA 0.659 4.779 4.120 -0.001 0.000 0.276 155 V C 0.392 176.283 176.094 -0.340 0.000 1.028 155 V CA 0.011 61.898 62.300 -0.689 0.000 0.860 155 V CB 1.650 32.620 31.823 -1.422 0.000 0.990 155 V HN 0.352 nan 8.190 nan 0.000 0.453 156 T N 7.521 121.957 114.554 -0.197 0.000 2.833 156 T HA 0.404 4.754 4.350 -0.001 0.000 0.297 156 T C -2.714 171.961 174.700 -0.041 0.000 1.015 156 T CA -1.389 60.685 62.100 -0.043 0.000 0.963 156 T CB 1.780 70.657 68.868 0.015 0.000 0.955 156 T HN 0.346 nan 8.240 nan 0.000 0.449 157 P HA 0.129 nan 4.420 nan 0.000 0.268 157 P C -0.661 176.704 177.300 0.109 0.000 1.205 157 P CA -0.416 62.710 63.100 0.042 0.000 0.771 157 P CB 0.256 32.038 31.700 0.137 0.000 0.858 158 Y N 1.340 121.648 120.300 0.013 0.000 2.377 158 Y HA 0.296 4.846 4.550 -0.000 0.000 0.330 158 Y C 0.690 176.480 175.900 -0.183 0.000 1.108 158 Y CA -0.382 57.655 58.100 -0.104 0.000 1.308 158 Y CB 0.189 38.551 38.460 -0.163 0.000 1.216 158 Y HN 0.029 nan 8.280 nan 0.000 0.518 159 V N 4.573 124.426 119.914 -0.102 0.000 2.709 159 V HA 0.329 4.449 4.120 -0.001 0.000 0.308 159 V C -0.921 174.994 176.094 -0.297 0.000 1.062 159 V CA -1.465 60.688 62.300 -0.246 0.000 0.901 159 V CB 1.560 33.365 31.823 -0.028 0.000 1.003 159 V HN 0.462 nan 8.190 nan 0.000 0.425 160 Y N 2.011 122.109 120.300 -0.336 0.000 2.307 160 Y HA 0.226 4.775 4.550 -0.000 0.000 0.324 160 Y C 1.673 177.512 175.900 -0.102 0.000 1.238 160 Y CA -0.358 57.590 58.100 -0.253 0.000 1.280 160 Y CB 0.909 39.188 38.460 -0.303 0.000 1.248 160 Y HN 0.852 nan 8.280 nan 0.000 0.508 161 E N 0.836 121.028 120.200 -0.014 0.000 2.285 161 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 161 E C -0.613 176.090 176.600 0.171 0.000 0.997 161 E CA 0.678 57.052 56.400 -0.043 0.000 0.845 161 E CB 0.017 29.494 29.700 -0.372 0.000 0.782 161 E HN 0.443 nan 8.360 nan 0.000 0.491 162 F N -0.475 119.588 119.950 0.188 0.000 2.450 162 F HA 0.566 5.093 4.527 0.000 0.000 0.332 162 F C 1.202 177.015 175.800 0.022 0.000 1.093 162 F CA -0.338 57.728 58.000 0.111 0.000 1.003 162 F CB 2.318 41.337 39.000 0.030 0.000 1.151 162 F HN 0.094 nan 8.300 nan 0.000 0.474 163 G N 0.843 109.754 108.800 0.184 0.000 3.033 163 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.208 163 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.208 163 G C -0.365 174.484 174.900 -0.086 0.000 1.006 163 G CA -0.064 45.051 45.100 0.026 0.000 0.808 163 G HN 0.702 nan 8.290 nan 0.000 0.499 164 S N 0.446 116.020 115.700 -0.210 0.000 2.482 164 S HA 0.651 5.121 4.470 -0.001 0.000 0.303 164 S C 1.075 175.656 174.600 -0.031 0.000 1.091 164 S CA -0.284 57.778 58.200 -0.231 0.000 1.057 164 S CB 1.010 63.856 63.200 -0.590 0.000 1.031 164 S HN 0.929 nan 8.310 nan 0.000 0.485 165 I N 1.965 122.529 120.570 -0.010 0.000 3.928 165 I HA 0.555 4.725 4.170 -0.001 0.000 0.335 165 I C 0.903 177.047 176.117 0.045 0.000 1.325 165 I CA -0.242 61.077 61.300 0.032 0.000 1.107 165 I CB -0.787 37.215 38.000 0.004 0.000 1.014 165 I HN 0.843 nan 8.210 nan 0.000 0.400 171 L N -0.225 120.945 121.223 -0.090 0.000 1.976 171 L HA -0.255 4.085 4.340 -0.001 0.000 0.223 171 L C 2.399 179.230 176.870 -0.065 0.000 1.081 171 L CA 1.650 56.438 54.840 -0.086 0.000 0.784 171 L CB -0.612 41.386 42.059 -0.101 0.000 0.896 171 L HN 0.098 nan 8.230 nan 0.000 0.438 172 V N -0.322 119.558 119.914 -0.056 0.000 2.255 172 V HA -0.195 3.925 4.120 -0.001 0.000 0.247 172 V C -0.132 176.054 176.094 0.154 0.000 1.051 172 V CA 2.321 64.647 62.300 0.042 0.000 1.018 172 V CB -1.611 30.236 31.823 0.040 0.000 0.641 172 V HN 0.329 nan 8.190 nan 0.000 0.445 173 P HA -0.124 nan 4.420 nan 0.000 0.215 173 P C 1.935 179.318 177.300 0.140 0.000 1.153 173 P CA 1.407 64.535 63.100 0.046 0.000 0.853 173 P CB -0.071 31.574 31.700 -0.091 0.000 0.788 174 L N -0.512 120.749 121.223 0.064 0.000 2.191 174 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 174 L C 2.485 179.382 176.870 0.044 0.000 1.103 174 L CA 1.760 56.629 54.840 0.048 0.000 0.769 174 L CB -1.020 41.044 42.059 0.008 0.000 0.908 174 L HN 0.135 nan 8.230 nan 0.000 0.438 175 S N -1.121 114.614 115.700 0.058 0.000 2.402 175 S HA -0.201 4.269 4.470 -0.001 0.000 0.229 175 S C 1.890 176.509 174.600 0.032 0.000 1.021 175 S CA 0.769 58.957 58.200 -0.020 0.000 0.974 175 S CB -0.607 62.546 63.200 -0.078 0.000 0.800 175 S HN 0.420 nan 8.310 nan 0.000 0.484 176 Y N 1.468 121.829 120.300 0.101 0.000 2.263 176 Y HA 0.157 4.707 4.550 -0.000 0.000 0.292 176 Y C 2.317 178.271 175.900 0.091 0.000 1.130 176 Y CA 1.089 59.322 58.100 0.222 0.000 1.179 176 Y CB -0.291 38.264 38.460 0.158 0.000 0.998 176 Y HN 0.242 nan 8.280 nan 0.000 0.532 177 I N -0.937 119.732 120.570 0.165 0.000 2.202 177 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 177 I C 2.211 178.268 176.117 -0.099 0.000 1.091 177 I CA 1.484 62.811 61.300 0.045 0.000 1.368 177 I CB -0.632 37.385 38.000 0.028 0.000 1.058 177 I HN 0.170 nan 8.210 nan 0.000 0.410 178 T N 0.621 115.094 114.554 -0.136 0.000 2.622 178 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 178 T C 1.921 176.384 174.700 -0.396 0.000 1.047 178 T CA 1.774 63.734 62.100 -0.233 0.000 1.159 178 T CB -0.894 67.852 68.868 -0.204 0.000 0.863 178 T HN 0.583 nan 8.240 nan 0.000 0.422 179 G N 0.606 109.027 108.800 -0.631 0.000 2.450 179 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 179 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 179 G C 1.869 176.194 174.900 -0.958 0.000 1.130 179 G CA 1.179 45.508 45.100 -1.285 0.000 0.760 179 G HN 0.499 nan 8.290 nan 0.000 0.557 180 S N 0.147 115.564 115.700 -0.470 0.000 2.377 180 S HA 0.074 4.544 4.470 -0.001 0.000 0.223 180 S C 2.281 176.847 174.600 -0.057 0.000 1.030 180 S CA 0.464 58.594 58.200 -0.116 0.000 0.970 180 S CB -0.154 63.107 63.200 0.102 0.000 0.830 180 S HN 0.315 nan 8.310 nan 0.000 0.473 181 L N 1.544 122.613 121.223 -0.257 0.000 2.083 181 L HA -0.046 4.294 4.340 -0.001 0.000 0.209 181 L C 2.193 178.890 176.870 -0.290 0.000 1.083 181 L CA 1.175 55.715 54.840 -0.500 0.000 0.752 181 L CB -0.573 41.146 42.059 -0.567 0.000 0.899 181 L HN 0.429 nan 8.230 nan 0.000 0.433 182 I N -3.404 117.009 120.570 -0.262 0.000 3.728 182 I HA 0.301 4.471 4.170 -0.001 0.000 0.307 182 I C 1.237 177.262 176.117 -0.154 0.000 1.276 182 I CA 0.491 61.671 61.300 -0.199 0.000 1.285 182 I CB -0.431 37.437 38.000 -0.221 0.000 1.038 182 I HN 0.226 nan 8.210 nan 0.000 0.445 183 G N 2.692 111.396 108.800 -0.160 0.000 2.295 183 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.287 183 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.287 183 G C 0.530 175.361 174.900 -0.114 0.000 1.055 183 G CA 0.555 45.598 45.100 -0.094 0.000 0.922 183 G HN 0.484 nan 8.290 nan 0.000 0.503 184 L N -0.216 120.847 121.223 -0.267 0.000 2.042 184 L HA 0.251 4.591 4.340 -0.001 0.000 0.210 184 L C 0.963 177.839 176.870 0.011 0.000 1.076 184 L CA 2.835 57.544 54.840 -0.218 0.000 0.749 184 L CB -0.081 41.656 42.059 -0.536 0.000 0.893 184 L HN 0.651 nan 8.230 nan 0.000 0.432 185 D N -4.274 116.192 120.400 0.110 0.000 2.648 185 D HA 0.258 4.898 4.640 -0.001 0.000 0.244 185 D C -2.442 174.015 176.300 0.262 0.000 1.244 185 D CA -1.015 53.144 54.000 0.265 0.000 0.772 185 D CB 1.453 42.504 40.800 0.418 0.000 1.379 185 D HN -0.322 nan 8.370 nan 0.000 0.428 186 P HA -0.029 nan 4.420 nan 0.000 0.226 186 P C 0.873 178.247 177.300 0.122 0.000 1.153 186 P CA 0.837 64.021 63.100 0.140 0.000 0.777 186 P CB 0.088 31.854 31.700 0.110 0.000 0.794 187 S N -1.701 114.064 115.700 0.108 0.000 2.447 187 S HA -0.092 4.378 4.470 -0.001 0.000 0.233 187 S C 0.549 175.053 174.600 -0.161 0.000 1.006 187 S CA 0.522 58.701 58.200 -0.034 0.000 0.957 187 S CB -1.221 61.921 63.200 -0.098 0.000 0.773 187 S HN -0.018 nan 8.310 nan 0.000 0.507 188 F N 3.032 122.964 119.950 -0.030 0.000 2.424 188 F HA 0.473 5.000 4.527 -0.001 0.000 0.356 188 F C 0.792 176.572 175.800 -0.033 0.000 1.110 188 F CA -0.566 57.407 58.000 -0.045 0.000 1.161 188 F CB 0.697 39.629 39.000 -0.114 0.000 1.115 188 F HN -0.161 nan 8.300 nan 0.000 0.507 189 K N 3.292 123.745 120.400 0.088 0.000 2.156 189 K HA 0.799 5.119 4.320 -0.001 0.000 0.250 189 K C -0.447 175.893 176.600 -0.434 0.000 0.955 189 K CA -0.737 55.485 56.287 -0.108 0.000 0.855 189 K CB 2.273 34.774 32.500 0.001 0.000 1.101 189 K HN 0.460 nan 8.250 nan 0.000 0.434 190 V N -2.473 117.057 119.914 -0.640 0.000 3.181 190 V HA 0.514 4.634 4.120 -0.001 0.000 0.308 190 V C -1.271 174.394 176.094 -0.715 0.000 1.214 190 V CA -1.102 60.781 62.300 -0.696 0.000 1.053 190 V CB 2.227 33.848 31.823 -0.337 0.000 1.069 190 V HN 0.737 nan 8.190 nan 0.000 0.441 191 D N 0.800 120.956 120.400 -0.408 0.000 2.256 191 D HA 0.449 5.088 4.640 -0.001 0.000 0.240 191 D C -1.204 175.086 176.300 -0.018 0.000 1.062 191 D CA -0.336 53.619 54.000 -0.074 0.000 0.832 191 D CB 1.476 42.363 40.800 0.146 0.000 1.135 191 D HN 0.671 nan 8.370 nan 0.000 0.484 192 F N 4.876 124.755 119.950 -0.119 0.000 2.359 192 F HA 0.264 4.790 4.527 -0.001 0.000 0.370 192 F C 0.136 175.891 175.800 -0.075 0.000 1.077 192 F CA -0.981 56.942 58.000 -0.127 0.000 1.136 192 F CB 0.261 39.174 39.000 -0.145 0.000 1.387 192 F HN 0.392 nan 8.300 nan 0.000 0.468 193 N N 3.819 122.699 118.700 0.299 0.000 2.727 193 N HA -0.226 4.514 4.740 -0.001 0.000 0.249 193 N C 0.646 176.200 175.510 0.073 0.000 1.048 193 N CA 1.343 54.483 53.050 0.151 0.000 0.714 193 N CB -1.040 37.525 38.487 0.131 0.000 0.959 193 N HN 1.065 nan 8.380 nan 0.000 0.544 194 G N -1.335 107.512 108.800 0.080 0.000 3.180 194 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.197 194 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.197 194 G C -0.129 174.809 174.900 0.063 0.000 1.149 194 G CA 0.223 45.355 45.100 0.054 0.000 0.847 194 G HN 0.436 nan 8.290 nan 0.000 0.469 195 K N 1.092 121.528 120.400 0.061 0.000 2.340 195 K HA 0.550 4.869 4.320 -0.001 0.000 0.244 195 K C -0.560 176.094 176.600 0.090 0.000 0.973 195 K CA -0.645 55.683 56.287 0.069 0.000 0.828 195 K CB 2.188 34.708 32.500 0.033 0.000 1.226 195 K HN 0.213 nan 8.250 nan 0.000 0.437 196 E N 2.571 122.843 120.200 0.121 0.000 2.413 196 E HA 0.074 4.423 4.350 -0.001 0.000 0.263 196 E C -0.884 175.742 176.600 0.042 0.000 1.015 196 E CA 0.511 56.981 56.400 0.116 0.000 0.916 196 E CB 0.583 30.409 29.700 0.211 0.000 0.947 196 E HN 0.373 nan 8.360 nan 0.000 0.440 197 M N 2.602 122.190 119.600 -0.020 0.000 2.534 197 M HA 0.147 4.626 4.480 -0.001 0.000 0.280 197 M C -1.589 174.693 176.300 -0.031 0.000 1.217 197 M CA -0.921 54.380 55.300 0.001 0.000 0.893 197 M CB 2.163 34.789 32.600 0.042 0.000 1.730 197 M HN 0.503 nan 8.290 nan 0.000 0.483 198 D N 0.830 121.237 120.400 0.011 0.000 2.313 198 D HA 0.541 5.181 4.640 -0.001 0.000 0.247 198 D C 0.906 177.219 176.300 0.023 0.000 1.094 198 D CA -0.424 53.592 54.000 0.027 0.000 0.925 198 D CB 1.108 41.943 40.800 0.057 0.000 1.188 198 D HN 0.629 nan 8.370 nan 0.000 0.430 199 A N 2.078 124.926 122.820 0.046 0.000 1.873 199 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 199 A C -0.292 177.317 177.584 0.041 0.000 1.193 199 A CA 1.452 53.513 52.037 0.040 0.000 0.629 199 A CB -1.823 17.215 19.000 0.062 0.000 0.826 199 A HN 0.632 nan 8.150 nan 0.000 0.447 200 P HA -0.136 nan 4.420 nan 0.000 0.215 200 P C 1.513 178.841 177.300 0.046 0.000 1.157 200 P CA 2.058 65.186 63.100 0.047 0.000 0.874 200 P CB -0.302 31.432 31.700 0.056 0.000 0.790 201 T N -0.872 113.710 114.554 0.047 0.000 2.788 201 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 201 T C 1.846 176.587 174.700 0.069 0.000 1.044 201 T CA 1.615 63.746 62.100 0.050 0.000 1.139 201 T CB -0.875 68.021 68.868 0.046 0.000 0.867 201 T HN 0.069 nan 8.240 nan 0.000 0.454 202 A N 1.198 124.054 122.820 0.060 0.000 1.898 202 A HA 0.080 4.400 4.320 -0.001 0.000 0.216 202 A C 2.270 179.876 177.584 0.037 0.000 1.181 202 A CA 0.995 53.072 52.037 0.066 0.000 0.620 202 A CB -0.761 18.155 19.000 -0.141 0.000 0.819 202 A HN 0.469 nan 8.150 nan 0.000 0.442 203 L N -1.025 120.219 121.223 0.034 0.000 2.191 203 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 203 L C 2.850 179.756 176.870 0.060 0.000 1.103 203 L CA 1.099 55.977 54.840 0.063 0.000 0.769 203 L CB -0.444 41.657 42.059 0.071 0.000 0.908 203 L HN 0.398 nan 8.230 nan 0.000 0.438 204 R N -0.418 120.117 120.500 0.058 0.000 2.073 204 R HA -0.123 4.217 4.340 -0.001 0.000 0.229 204 R C 2.205 178.540 176.300 0.059 0.000 1.120 204 R CA 1.001 57.131 56.100 0.050 0.000 0.967 204 R CB -0.228 30.097 30.300 0.041 0.000 0.862 204 R HN 0.443 nan 8.270 nan 0.000 0.436 205 Q N 0.434 120.284 119.800 0.084 0.000 2.226 205 Q HA -0.058 4.282 4.340 -0.001 0.000 0.204 205 Q C 1.749 177.821 176.000 0.120 0.000 0.975 205 Q CA 0.926 56.786 55.803 0.095 0.000 0.866 205 Q CB 0.133 28.948 28.738 0.127 0.000 0.915 205 Q HN 0.337 nan 8.270 nan 0.000 0.440 206 L N -0.119 121.179 121.223 0.126 0.000 2.592 206 L HA 0.081 4.420 4.340 -0.001 0.000 0.227 206 L C -0.201 176.710 176.870 0.068 0.000 1.127 206 L CA 0.014 54.915 54.840 0.101 0.000 0.884 206 L CB -0.220 41.876 42.059 0.062 0.000 1.065 206 L HN 0.303 nan 8.230 nan 0.000 0.457 207 N N 0.448 119.182 118.700 0.058 0.000 2.758 207 N HA -0.176 4.564 4.740 -0.001 0.000 0.248 207 N C -0.616 174.918 175.510 0.039 0.000 1.076 207 N CA -0.025 53.050 53.050 0.042 0.000 0.696 207 N CB -1.155 37.353 38.487 0.035 0.000 0.979 207 N HN 0.252 nan 8.380 nan 0.000 0.550 208 L N 0.350 121.600 121.223 0.046 0.000 2.342 208 L HA 0.543 4.883 4.340 -0.001 0.000 0.271 208 L C 0.677 177.566 176.870 0.033 0.000 1.008 208 L CA -0.810 54.055 54.840 0.042 0.000 0.818 208 L CB 1.828 43.926 42.059 0.065 0.000 1.296 208 L HN 0.143 nan 8.230 nan 0.000 0.427 209 S N 1.404 117.116 115.700 0.019 0.000 2.578 209 S HA 0.635 5.104 4.470 -0.001 0.000 0.283 209 S C -2.546 172.054 174.600 0.001 0.000 1.195 209 S CA -1.349 56.858 58.200 0.011 0.000 1.050 209 S CB 1.328 64.531 63.200 0.005 0.000 1.012 209 S HN 0.276 nan 8.310 nan 0.000 0.511 210 P HA 0.286 nan 4.420 nan 0.000 0.269 210 P C -0.926 176.355 177.300 -0.032 0.000 1.217 210 P CA -0.248 62.841 63.100 -0.018 0.000 0.783 210 P CB 0.311 32.007 31.700 -0.008 0.000 0.898 211 L N 0.470 121.658 121.223 -0.057 0.000 2.323 211 L HA 0.533 4.873 4.340 -0.001 0.000 0.265 211 L C 0.086 176.919 176.870 -0.061 0.000 1.012 211 L CA -0.582 54.221 54.840 -0.060 0.000 0.820 211 L CB 2.113 44.123 42.059 -0.082 0.000 1.334 211 L HN 0.208 nan 8.230 nan 0.000 0.427 212 T N 2.254 116.779 114.554 -0.048 0.000 2.792 212 T HA 0.489 4.839 4.350 -0.001 0.000 0.280 212 T C -0.179 174.493 174.700 -0.047 0.000 0.990 212 T CA -0.490 61.587 62.100 -0.039 0.000 0.960 212 T CB 1.012 69.869 68.868 -0.019 0.000 0.939 212 T HN 0.250 nan 8.240 nan 0.000 0.439 213 L N 4.212 125.403 121.223 -0.053 0.000 2.410 213 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 213 L C 0.260 177.108 176.870 -0.036 0.000 1.144 213 L CA -0.332 54.475 54.840 -0.055 0.000 0.863 213 L CB 0.183 42.204 42.059 -0.062 0.000 1.140 213 L HN 0.400 nan 8.230 nan 0.000 0.463 214 L N 4.579 125.778 121.223 -0.040 0.000 2.431 214 L HA 0.448 4.787 4.340 -0.001 0.000 0.260 214 L C -2.042 174.812 176.870 -0.025 0.000 1.098 214 L CA -2.127 52.695 54.840 -0.030 0.000 0.800 214 L CB 0.422 42.460 42.059 -0.034 0.000 1.210 214 L HN 0.337 nan 8.230 nan 0.000 0.465 215 P HA -0.079 nan 4.420 nan 0.000 0.264 215 P C -0.044 177.247 177.300 -0.014 0.000 1.179 215 P CA 0.420 63.514 63.100 -0.010 0.000 0.763 215 P CB 0.440 32.133 31.700 -0.012 0.000 0.806 216 K N 2.091 122.488 120.400 -0.005 0.000 3.571 216 K HA -0.285 4.035 4.320 -0.001 0.000 0.275 216 K C 1.157 177.739 176.600 -0.031 0.000 1.034 216 K CA 2.409 58.691 56.287 -0.008 0.000 1.116 216 K CB -2.203 30.295 32.500 -0.004 0.000 1.386 216 K HN 0.581 nan 8.250 nan 0.000 0.466 217 E N -0.838 119.333 120.200 -0.047 0.000 2.153 217 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 217 E C 1.886 178.445 176.600 -0.068 0.000 0.988 217 E CA 1.084 57.438 56.400 -0.078 0.000 0.811 217 E CB -0.259 29.390 29.700 -0.085 0.000 0.746 217 E HN 0.605 nan 8.360 nan 0.000 0.466 218 G N 1.452 110.224 108.800 -0.047 0.000 2.404 218 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.215 218 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.215 218 G C 1.607 176.488 174.900 -0.032 0.000 1.174 218 G CA 0.325 45.396 45.100 -0.047 0.000 0.780 218 G HN 0.079 nan 8.290 nan 0.000 0.537 219 L N 0.708 121.924 121.223 -0.012 0.000 2.093 219 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 219 L C 3.387 180.268 176.870 0.018 0.000 1.085 219 L CA 0.924 55.767 54.840 0.004 0.000 0.755 219 L CB -0.338 41.732 42.059 0.020 0.000 0.904 219 L HN 0.307 nan 8.230 nan 0.000 0.435 220 A N -0.632 122.189 122.820 0.003 0.000 1.972 220 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 220 A C 2.297 179.960 177.584 0.131 0.000 1.169 220 A CA 1.463 53.515 52.037 0.025 0.000 0.635 220 A CB -0.263 18.672 19.000 -0.108 0.000 0.810 220 A HN 0.271 nan 8.150 nan 0.000 0.446 221 M N -1.513 118.121 119.600 0.058 0.000 2.287 221 M HA 0.159 4.639 4.480 -0.001 0.000 0.266 221 M C 2.011 178.335 176.300 0.039 0.000 1.079 221 M CA 1.303 56.654 55.300 0.085 0.000 1.146 221 M CB -0.837 31.759 32.600 -0.005 0.000 1.374 221 M HN 0.434 nan 8.290 nan 0.000 0.435 222 M N -1.015 118.586 119.600 0.002 0.000 2.492 222 M HA 0.041 4.521 4.480 -0.001 0.000 0.255 222 M C -0.135 176.157 176.300 -0.013 0.000 1.139 222 M CA 0.028 55.315 55.300 -0.021 0.000 1.096 222 M CB -0.033 32.528 32.600 -0.065 0.000 1.360 222 M HN 0.018 nan 8.290 nan 0.000 0.480 223 N N 1.533 120.241 118.700 0.013 0.000 2.444 223 N HA 0.560 5.299 4.740 -0.001 0.000 0.271 223 N C -0.186 175.378 175.510 0.089 0.000 1.069 223 N CA 0.545 53.611 53.050 0.027 0.000 0.965 223 N CB 1.163 39.685 38.487 0.058 0.000 1.092 223 N HN 0.370 nan 8.380 nan 0.000 0.476 224 G N -0.277 108.589 108.800 0.110 0.000 2.361 224 G HA2 0.040 4.000 3.960 -0.001 0.000 0.305 224 G HA3 0.040 4.000 3.960 -0.001 0.000 0.305 224 G C -0.036 174.926 174.900 0.103 0.000 1.367 224 G CA -0.154 45.020 45.100 0.124 0.000 0.951 224 G HN 0.435 nan 8.290 nan 0.000 0.615 225 T N -2.159 112.450 114.554 0.091 0.000 3.134 225 T HA 0.352 4.701 4.350 -0.001 0.000 0.260 225 T C 1.994 176.736 174.700 0.070 0.000 1.027 225 T CA 1.246 63.400 62.100 0.090 0.000 0.913 225 T CB 0.353 69.273 68.868 0.086 0.000 1.046 225 T HN 0.579 nan 8.240 nan 0.000 0.553 226 S N 1.556 117.283 115.700 0.045 0.000 2.374 226 S HA -0.122 4.348 4.470 -0.001 0.000 0.227 226 S C 2.032 176.663 174.600 0.052 0.000 1.037 226 S CA 1.482 59.695 58.200 0.023 0.000 1.024 226 S CB -0.481 62.709 63.200 -0.016 0.000 0.861 226 S HN 0.498 nan 8.310 nan 0.000 0.456 227 V N 3.348 123.322 119.914 0.101 0.000 2.283 227 V HA -0.183 3.937 4.120 -0.001 0.000 0.243 227 V C 2.427 178.610 176.094 0.149 0.000 1.039 227 V CA 1.886 64.278 62.300 0.153 0.000 1.016 227 V CB -0.939 31.049 31.823 0.274 0.000 0.650 227 V HN 0.646 nan 8.190 nan 0.000 0.449 228 M N 0.207 119.935 119.600 0.213 0.000 2.159 228 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 228 M C 1.973 178.304 176.300 0.051 0.000 1.063 228 M CA 2.506 57.883 55.300 0.128 0.000 1.110 228 M CB -1.346 31.372 32.600 0.195 0.000 1.374 228 M HN 0.244 nan 8.290 nan 0.000 0.411 229 T N 0.926 115.515 114.554 0.059 0.000 2.857 229 T HA 0.037 4.387 4.350 -0.001 0.000 0.266 229 T C 1.991 176.702 174.700 0.017 0.000 1.048 229 T CA 1.450 63.570 62.100 0.034 0.000 1.139 229 T CB -0.740 68.146 68.868 0.030 0.000 0.874 229 T HN 0.716 nan 8.240 nan 0.000 0.455 230 G N 1.433 110.242 108.800 0.015 0.000 2.418 230 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.217 230 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.217 230 G C 1.518 176.414 174.900 -0.007 0.000 1.158 230 G CA 0.449 45.550 45.100 0.001 0.000 0.771 230 G HN 0.477 nan 8.290 nan 0.000 0.545 231 I N 1.345 121.904 120.570 -0.017 0.000 2.179 231 I HA -0.175 3.995 4.170 -0.001 0.000 0.242 231 I C 3.304 179.409 176.117 -0.020 0.000 1.088 231 I CA 1.012 62.287 61.300 -0.042 0.000 1.357 231 I CB -0.232 37.702 38.000 -0.109 0.000 1.051 231 I HN 0.244 nan 8.210 nan 0.000 0.409 232 A N 0.760 123.575 122.820 -0.008 0.000 1.902 232 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 232 A C 2.552 180.156 177.584 0.033 0.000 1.181 232 A CA 1.884 53.929 52.037 0.013 0.000 0.623 232 A CB -0.861 18.151 19.000 0.021 0.000 0.818 232 A HN 0.440 nan 8.150 nan 0.000 0.443 233 A N 0.439 123.275 122.820 0.027 0.000 1.865 233 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 233 A C 1.958 179.579 177.584 0.061 0.000 1.191 233 A CA 1.927 53.986 52.037 0.035 0.000 0.623 233 A CB -0.707 18.298 19.000 0.008 0.000 0.826 233 A HN 0.549 nan 8.150 nan 0.000 0.444 234 N N -0.208 118.515 118.700 0.038 0.000 2.166 234 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 234 N C 1.744 177.329 175.510 0.126 0.000 1.019 234 N CA 1.575 54.664 53.050 0.065 0.000 0.856 234 N CB -0.861 37.638 38.487 0.021 0.000 0.993 234 N HN 0.548 nan 8.380 nan 0.000 0.426 235 C N 0.070 119.419 119.300 0.082 0.000 2.429 235 C HA -0.009 4.450 4.460 -0.001 0.000 0.277 235 C C 2.860 177.916 174.990 0.110 0.000 1.262 235 C CA 0.268 59.337 59.018 0.084 0.000 1.733 235 C CB -0.898 26.870 27.740 0.047 0.000 2.010 235 C HN 0.212 nan 8.230 nan 0.000 0.483 236 V N -0.306 119.675 119.914 0.111 0.000 2.343 236 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 236 V C 2.076 178.248 176.094 0.130 0.000 1.051 236 V CA 2.241 64.607 62.300 0.110 0.000 1.036 236 V CB -0.961 30.920 31.823 0.096 0.000 0.654 236 V HN 0.599 nan 8.190 nan 0.000 0.451 237 Y N 1.701 122.021 120.300 0.033 0.000 2.053 237 Y HA -0.297 4.253 4.550 -0.001 0.000 0.277 237 Y C 2.425 178.351 175.900 0.043 0.000 1.159 237 Y CA 2.273 60.391 58.100 0.031 0.000 1.125 237 Y CB -0.467 38.006 38.460 0.022 0.000 0.969 237 Y HN 0.315 nan 8.280 nan 0.000 0.492 238 D N -0.991 119.493 120.400 0.140 0.000 2.178 238 D HA -0.146 4.494 4.640 -0.001 0.000 0.201 238 D C 2.086 178.409 176.300 0.039 0.000 0.980 238 D CA 1.886 55.917 54.000 0.053 0.000 0.842 238 D CB -0.410 40.470 40.800 0.133 0.000 0.948 238 D HN 0.412 nan 8.370 nan 0.000 0.472 239 T N 0.705 115.308 114.554 0.083 0.000 2.904 239 T HA -0.086 4.264 4.350 -0.001 0.000 0.267 239 T C 1.959 176.707 174.700 0.081 0.000 1.059 239 T CA 0.721 62.898 62.100 0.128 0.000 1.137 239 T CB 0.002 68.949 68.868 0.132 0.000 0.879 239 T HN 0.217 nan 8.240 nan 0.000 0.467 240 Q N 0.306 120.109 119.800 0.004 0.000 2.084 240 Q HA 0.006 4.346 4.340 -0.001 0.000 0.202 240 Q C 2.296 178.269 176.000 -0.045 0.000 0.978 240 Q CA 1.178 56.961 55.803 -0.033 0.000 0.844 240 Q CB -0.288 28.404 28.738 -0.076 0.000 0.898 240 Q HN 0.503 nan 8.270 nan 0.000 0.426 241 I N 0.479 120.975 120.570 -0.124 0.000 2.179 241 I HA -0.303 3.867 4.170 -0.001 0.000 0.242 241 I C 2.144 178.241 176.117 -0.033 0.000 1.088 241 I CA 1.113 62.340 61.300 -0.121 0.000 1.357 241 I CB -0.204 37.665 38.000 -0.218 0.000 1.051 241 I HN 0.217 nan 8.210 nan 0.000 0.409 242 L N -0.041 121.187 121.223 0.009 0.000 2.083 242 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 242 L C 2.572 179.504 176.870 0.104 0.000 1.083 242 L CA 1.429 56.281 54.840 0.019 0.000 0.752 242 L CB -0.775 41.331 42.059 0.078 0.000 0.899 242 L HN 0.260 nan 8.230 nan 0.000 0.433 243 T N -0.323 114.333 114.554 0.170 0.000 2.821 243 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 243 T C 1.997 176.801 174.700 0.173 0.000 1.046 243 T CA 1.221 63.442 62.100 0.202 0.000 1.139 243 T CB -0.164 68.796 68.868 0.154 0.000 0.871 243 T HN 0.450 nan 8.240 nan 0.000 0.454 244 A N 1.144 124.038 122.820 0.124 0.000 1.898 244 A HA 0.026 4.346 4.320 -0.001 0.000 0.216 244 A C 2.258 179.885 177.584 0.072 0.000 1.181 244 A CA 1.070 53.182 52.037 0.124 0.000 0.620 244 A CB -0.697 18.353 19.000 0.083 0.000 0.819 244 A HN 0.516 nan 8.150 nan 0.000 0.442 245 I N -0.236 120.351 120.570 0.029 0.000 2.315 245 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 245 I C 2.926 179.037 176.117 -0.009 0.000 1.117 245 I CA 0.937 62.230 61.300 -0.011 0.000 1.404 245 I CB -0.308 37.658 38.000 -0.056 0.000 1.071 245 I HN 0.354 nan 8.210 nan 0.000 0.419 246 A N 0.663 123.497 122.820 0.023 0.000 1.933 246 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 246 A C 2.361 179.996 177.584 0.085 0.000 1.175 246 A CA 1.381 53.435 52.037 0.029 0.000 0.628 246 A CB -0.412 18.691 19.000 0.171 0.000 0.814 246 A HN 0.269 nan 8.150 nan 0.000 0.444 247 M N -0.605 119.090 119.600 0.158 0.000 2.159 247 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 247 M C 2.288 178.631 176.300 0.072 0.000 1.063 247 M CA 1.538 56.936 55.300 0.163 0.000 1.110 247 M CB -1.673 30.991 32.600 0.107 0.000 1.374 247 M HN 0.496 nan 8.290 nan 0.000 0.411 248 G N -0.701 108.115 108.800 0.028 0.000 2.422 248 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.218 248 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.218 248 G C 1.646 176.544 174.900 -0.004 0.000 1.140 248 G CA 0.623 45.723 45.100 0.001 0.000 0.775 248 G HN 0.341 nan 8.290 nan 0.000 0.545 249 V N 0.491 120.382 119.914 -0.038 0.000 2.307 249 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 249 V C 2.539 178.585 176.094 -0.079 0.000 1.045 249 V CA 1.668 63.917 62.300 -0.085 0.000 1.024 249 V CB -0.623 31.096 31.823 -0.172 0.000 0.651 249 V HN 0.417 nan 8.190 nan 0.000 0.449 250 H N 0.216 119.276 119.070 -0.017 0.000 2.387 250 H HA -0.078 4.478 4.556 -0.001 0.000 0.299 250 H C 2.359 177.683 175.328 -0.007 0.000 1.090 250 H CA 1.690 57.722 56.048 -0.026 0.000 1.332 250 H CB -0.343 29.393 29.762 -0.042 0.000 1.386 250 H HN 0.463 nan 8.280 nan 0.000 0.516 251 A N 0.919 123.790 122.820 0.084 0.000 1.930 251 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 251 A C 2.709 180.316 177.584 0.037 0.000 1.175 251 A CA 0.921 52.970 52.037 0.020 0.000 0.627 251 A CB -0.753 18.227 19.000 -0.033 0.000 0.815 251 A HN 0.274 nan 8.150 nan 0.000 0.443 252 L N -0.575 120.673 121.223 0.042 0.000 2.093 252 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 252 L C 2.058 178.973 176.870 0.075 0.000 1.085 252 L CA 1.246 56.118 54.840 0.054 0.000 0.755 252 L CB -0.606 41.494 42.059 0.068 0.000 0.904 252 L HN 0.290 nan 8.230 nan 0.000 0.435 253 D N 0.419 120.868 120.400 0.081 0.000 2.097 253 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 253 D C 2.268 178.636 176.300 0.115 0.000 0.989 253 D CA 1.349 55.409 54.000 0.101 0.000 0.827 253 D CB -0.148 40.711 40.800 0.098 0.000 0.966 253 D HN 0.286 nan 8.370 nan 0.000 0.456 254 I N 0.840 121.486 120.570 0.126 0.000 2.208 254 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 254 I C 2.455 178.638 176.117 0.109 0.000 1.097 254 I CA 1.192 62.576 61.300 0.140 0.000 1.363 254 I CB -0.218 37.888 38.000 0.177 0.000 1.051 254 I HN 0.016 nan 8.210 nan 0.000 0.413 255 Q N 0.488 120.338 119.800 0.084 0.000 2.046 255 Q HA -0.152 4.188 4.340 -0.001 0.000 0.200 255 Q C 2.466 178.505 176.000 0.064 0.000 0.975 255 Q CA 1.651 57.490 55.803 0.061 0.000 0.836 255 Q CB -0.310 28.447 28.738 0.032 0.000 0.896 255 Q HN 0.573 nan 8.270 nan 0.000 0.428 256 A N 0.662 123.529 122.820 0.078 0.000 2.019 256 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 256 A C 1.841 179.483 177.584 0.096 0.000 1.164 256 A CA 0.963 53.055 52.037 0.091 0.000 0.644 256 A CB -0.335 18.733 19.000 0.115 0.000 0.805 256 A HN 0.284 nan 8.150 nan 0.000 0.449 257 L N -0.969 120.314 121.223 0.100 0.000 2.592 257 L HA 0.113 4.452 4.340 -0.001 0.000 0.227 257 L C 0.867 177.790 176.870 0.088 0.000 1.127 257 L CA 0.267 55.169 54.840 0.102 0.000 0.884 257 L CB -0.438 41.688 42.059 0.112 0.000 1.065 257 L HN 0.654 nan 8.230 nan 0.000 0.457 258 N N 0.640 119.387 118.700 0.078 0.000 2.735 258 N HA -0.143 4.597 4.740 -0.001 0.000 0.248 258 N C 0.585 176.139 175.510 0.073 0.000 1.083 258 N CA 0.054 53.144 53.050 0.065 0.000 0.703 258 N CB -0.385 38.134 38.487 0.054 0.000 1.005 258 N HN 0.447 nan 8.380 nan 0.000 0.550 259 G N -0.264 108.590 108.800 0.090 0.000 2.634 259 G HA2 0.335 4.295 3.960 -0.001 0.000 0.255 259 G HA3 0.335 4.295 3.960 -0.001 0.000 0.255 259 G C 0.001 174.957 174.900 0.094 0.000 1.205 259 G CA 0.340 45.497 45.100 0.095 0.000 0.884 259 G HN 0.211 nan 8.290 nan 0.000 0.549 260 T N -1.334 113.265 114.554 0.075 0.000 2.934 260 T HA 0.270 4.620 4.350 -0.001 0.000 0.283 260 T C 1.288 176.054 174.700 0.110 0.000 1.005 260 T CA -0.374 61.768 62.100 0.070 0.000 1.041 260 T CB 0.815 69.700 68.868 0.029 0.000 1.042 260 T HN 0.583 nan 8.240 nan 0.000 0.505 261 N N 1.974 120.764 118.700 0.149 0.000 2.280 261 N HA 0.012 4.751 4.740 -0.001 0.000 0.192 261 N C 1.406 177.022 175.510 0.177 0.000 1.109 261 N CA 0.199 53.425 53.050 0.292 0.000 0.855 261 N CB -0.297 38.349 38.487 0.265 0.000 0.974 261 N HN 0.741 nan 8.380 nan 0.000 0.482 262 Q N 0.761 120.592 119.800 0.051 0.000 2.135 262 Q HA -0.070 4.270 4.340 -0.001 0.000 0.204 262 Q C 0.953 176.927 176.000 -0.043 0.000 0.981 262 Q CA 1.622 57.448 55.803 0.038 0.000 0.856 262 Q CB -0.109 28.630 28.738 0.002 0.000 0.902 262 Q HN 0.370 nan 8.270 nan 0.000 0.425 263 S N 0.055 115.586 115.700 -0.283 0.000 2.465 263 S HA -0.112 4.358 4.470 -0.001 0.000 0.241 263 S C 0.730 175.123 174.600 -0.344 0.000 1.000 263 S CA 0.917 58.851 58.200 -0.443 0.000 0.964 263 S CB -0.154 62.608 63.200 -0.731 0.000 0.763 263 S HN 0.413 nan 8.310 nan 0.000 0.512 264 F N 0.082 120.163 119.950 0.219 0.000 2.664 264 F HA 0.275 4.802 4.527 -0.001 0.000 0.303 264 F C 1.066 177.034 175.800 0.279 0.000 1.092 264 F CA -0.907 57.246 58.000 0.255 0.000 1.305 264 F CB -0.492 38.549 39.000 0.069 0.000 1.054 264 F HN 0.188 nan 8.300 nan 0.000 0.565 265 H N 3.676 122.896 119.070 0.251 0.000 3.034 265 H HA 0.005 4.561 4.556 -0.001 0.000 0.324 265 H C -1.679 173.793 175.328 0.241 0.000 1.015 265 H CA -1.152 55.014 56.048 0.197 0.000 1.429 265 H CB 1.277 31.111 29.762 0.120 0.000 1.429 265 H HN -0.013 nan 8.280 nan 0.000 0.585 266 P HA -0.205 nan 4.420 nan 0.000 0.217 266 P C 1.400 178.886 177.300 0.309 0.000 1.148 266 P CA 1.107 64.328 63.100 0.201 0.000 0.834 266 P CB -0.157 31.563 31.700 0.033 0.000 0.783 267 F N -0.205 119.990 119.950 0.409 0.000 2.171 267 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 267 F C 1.981 177.802 175.800 0.034 0.000 1.090 267 F CA 1.298 59.412 58.000 0.190 0.000 1.293 267 F CB -0.664 38.395 39.000 0.098 0.000 1.013 267 F HN -0.200 nan 8.300 nan 0.000 0.486 268 I N -0.552 120.013 120.570 -0.009 0.000 2.142 268 I HA -0.335 3.835 4.170 -0.001 0.000 0.240 268 I C 2.404 178.263 176.117 -0.431 0.000 1.078 268 I CA 1.409 62.518 61.300 -0.319 0.000 1.343 268 I CB -0.700 37.023 38.000 -0.461 0.000 1.046 268 I HN 0.162 nan 8.210 nan 0.000 0.405 269 H N 0.352 119.426 119.070 0.007 0.000 2.462 269 H HA 0.014 4.569 4.556 -0.001 0.000 0.292 269 H C 1.674 176.982 175.328 -0.033 0.000 1.049 269 H CA 0.778 56.831 56.048 0.008 0.000 1.334 269 H CB -0.382 29.416 29.762 0.061 0.000 1.404 269 H HN 0.388 nan 8.280 nan 0.000 0.544 270 N N 1.001 119.702 118.700 0.001 0.000 2.459 270 N HA -0.090 4.650 4.740 -0.001 0.000 0.181 270 N C 1.766 177.192 175.510 -0.140 0.000 1.046 270 N CA 0.920 53.945 53.050 -0.042 0.000 0.904 270 N CB 0.069 38.542 38.487 -0.024 0.000 0.964 270 N HN 0.382 nan 8.380 nan 0.000 0.444 271 S N -0.500 115.055 115.700 -0.242 0.000 2.548 271 S HA 0.087 4.557 4.470 -0.001 0.000 0.215 271 S C 0.896 175.399 174.600 -0.162 0.000 0.976 271 S CA 0.162 58.205 58.200 -0.262 0.000 0.908 271 S CB 0.276 63.231 63.200 -0.409 0.000 0.781 271 S HN 0.100 nan 8.310 nan 0.000 0.519 272 K N 2.292 122.626 120.400 -0.110 0.000 3.098 272 K HA 0.299 4.619 4.320 -0.001 0.000 0.170 272 K C -2.866 173.711 176.600 -0.038 0.000 1.106 272 K CA -1.635 54.611 56.287 -0.067 0.000 0.864 272 K CB 1.161 33.669 32.500 0.013 0.000 1.047 272 K HN 0.019 nan 8.250 nan 0.000 0.609 273 P HA -0.069 nan 4.420 nan 0.000 0.262 273 P C -0.816 176.441 177.300 -0.073 0.000 1.647 273 P CA 0.075 63.140 63.100 -0.058 0.000 0.865 273 P CB -0.324 31.338 31.700 -0.064 0.000 1.834 274 H N 2.167 121.260 119.070 0.039 0.000 2.722 274 H HA 0.072 4.628 4.556 -0.000 0.000 0.328 274 H C -1.051 174.303 175.328 0.043 0.000 1.067 274 H CA -1.305 54.760 56.048 0.029 0.000 1.447 274 H CB 0.776 30.552 29.762 0.023 0.000 1.469 274 H HN 0.176 nan 8.280 nan 0.000 0.544 275 P HA -0.169 nan 4.420 nan 0.000 0.216 275 P C 1.532 178.913 177.300 0.134 0.000 1.153 275 P CA 1.535 64.700 63.100 0.108 0.000 0.858 275 P CB 0.002 31.736 31.700 0.058 0.000 0.789 276 G N -0.091 108.766 108.800 0.095 0.000 2.418 276 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 276 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 276 G C 1.776 176.785 174.900 0.182 0.000 1.158 276 G CA 0.709 45.862 45.100 0.088 0.000 0.771 276 G HN 0.339 nan 8.290 nan 0.000 0.545 277 Q N -0.314 119.576 119.800 0.150 0.000 2.046 277 Q HA 0.013 4.352 4.340 -0.001 0.000 0.200 277 Q C 2.607 178.650 176.000 0.073 0.000 0.975 277 Q CA 0.871 56.750 55.803 0.127 0.000 0.836 277 Q CB -0.212 28.641 28.738 0.191 0.000 0.896 277 Q HN 0.487 nan 8.270 nan 0.000 0.428 278 L N -0.614 120.687 121.223 0.130 0.000 2.012 278 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 278 L C 2.251 179.167 176.870 0.078 0.000 1.073 278 L CA 1.685 56.583 54.840 0.098 0.000 0.748 278 L CB -0.588 41.546 42.059 0.125 0.000 0.891 278 L HN 0.471 nan 8.230 nan 0.000 0.431 279 W N 0.517 121.799 121.300 -0.030 0.000 2.358 279 W HA -0.225 4.434 4.660 -0.001 0.000 0.303 279 W C 2.494 178.977 176.519 -0.060 0.000 1.208 279 W CA 1.824 59.147 57.345 -0.036 0.000 1.274 279 W CB -0.114 29.332 29.460 -0.024 0.000 1.138 279 W HN 0.111 nan 8.180 nan 0.000 0.515 280 A N 0.601 123.518 122.820 0.163 0.000 1.898 280 A HA -0.040 4.280 4.320 -0.001 0.000 0.216 280 A C 2.078 179.512 177.584 -0.250 0.000 1.181 280 A CA 2.401 54.411 52.037 -0.045 0.000 0.620 280 A CB -1.527 17.562 19.000 0.148 0.000 0.819 280 A HN 0.397 nan 8.150 nan 0.000 0.442 281 A N 0.033 122.707 122.820 -0.244 0.000 1.877 281 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 281 A C 1.864 179.311 177.584 -0.228 0.000 1.186 281 A CA 2.243 54.120 52.037 -0.268 0.000 0.620 281 A CB -0.815 17.785 19.000 -0.667 0.000 0.822 281 A HN 0.543 nan 8.150 nan 0.000 0.443 282 D N -1.221 119.036 120.400 -0.239 0.000 2.117 282 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 282 D C 2.123 178.215 176.300 -0.348 0.000 0.987 282 D CA 1.416 55.275 54.000 -0.235 0.000 0.829 282 D CB -0.064 40.618 40.800 -0.197 0.000 0.961 282 D HN 0.346 nan 8.370 nan 0.000 0.460 283 Q N -0.558 118.911 119.800 -0.551 0.000 2.124 283 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 283 Q C 2.084 177.821 176.000 -0.439 0.000 0.977 283 Q CA 0.873 56.320 55.803 -0.593 0.000 0.850 283 Q CB -0.397 27.750 28.738 -0.985 0.000 0.901 283 Q HN 0.388 nan 8.270 nan 0.000 0.429 284 M N 0.279 119.588 119.600 -0.484 0.000 2.229 284 M HA -0.076 4.404 4.480 -0.001 0.000 0.264 284 M C 1.710 177.719 176.300 -0.486 0.000 1.063 284 M CA 0.997 55.947 55.300 -0.582 0.000 1.114 284 M CB -0.205 31.754 32.600 -1.068 0.000 1.387 284 M HN 0.039 nan 8.290 nan 0.000 0.420 285 I N -0.688 119.670 120.570 -0.352 0.000 2.226 285 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 285 I C 2.144 178.166 176.117 -0.159 0.000 1.100 285 I CA 1.304 62.495 61.300 -0.181 0.000 1.374 285 I CB -1.548 36.392 38.000 -0.100 0.000 1.057 285 I HN 0.266 nan 8.210 nan 0.000 0.413 286 S N 0.887 116.477 115.700 -0.183 0.000 2.368 286 S HA -0.072 4.398 4.470 -0.001 0.000 0.224 286 S C 2.089 176.608 174.600 -0.135 0.000 1.029 286 S CA 0.963 59.077 58.200 -0.144 0.000 0.988 286 S CB -0.303 62.802 63.200 -0.157 0.000 0.838 286 S HN 0.355 nan 8.310 nan 0.000 0.462 287 L N 0.744 121.863 121.223 -0.173 0.000 2.201 287 L HA 0.023 4.363 4.340 -0.001 0.000 0.212 287 L C 1.746 178.549 176.870 -0.112 0.000 1.105 287 L CA 0.917 55.674 54.840 -0.139 0.000 0.775 287 L CB -0.271 41.691 42.059 -0.162 0.000 0.913 287 L HN 0.285 nan 8.230 nan 0.000 0.440 288 L N -0.716 120.430 121.223 -0.129 0.000 2.585 288 L HA 0.232 4.572 4.340 -0.001 0.000 0.226 288 L C 1.223 178.066 176.870 -0.046 0.000 1.113 288 L CA -0.545 54.248 54.840 -0.078 0.000 0.876 288 L CB -0.159 41.854 42.059 -0.075 0.000 1.072 288 L HN 0.063 nan 8.230 nan 0.000 0.468 289 A N 1.056 123.843 122.820 -0.056 0.000 2.561 289 A HA 0.019 4.339 4.320 -0.001 0.000 0.251 289 A C 0.784 178.352 177.584 -0.027 0.000 1.062 289 A CA 0.280 52.295 52.037 -0.037 0.000 0.761 289 A CB -0.211 18.762 19.000 -0.045 0.000 0.986 289 A HN 0.622 nan 8.150 nan 0.000 0.510 290 N N -0.158 118.532 118.700 -0.016 0.000 2.901 290 N HA -0.150 4.589 4.740 -0.001 0.000 0.248 290 N C 0.184 175.686 175.510 -0.013 0.000 1.044 290 N CA 1.316 54.358 53.050 -0.013 0.000 0.847 290 N CB -1.521 36.956 38.487 -0.017 0.000 1.127 290 N HN 0.885 nan 8.380 nan 0.000 0.562 291 S N 0.115 115.809 115.700 -0.011 0.000 2.565 291 S HA 0.233 4.702 4.470 -0.001 0.000 0.276 291 S C 1.105 175.702 174.600 -0.005 0.000 1.326 291 S CA -0.022 58.171 58.200 -0.012 0.000 1.045 291 S CB 0.965 64.160 63.200 -0.007 0.000 0.918 291 S HN 0.090 nan 8.310 nan 0.000 0.505 292 Q N 3.531 123.324 119.800 -0.011 0.000 2.247 292 Q HA 0.296 4.636 4.340 -0.001 0.000 0.204 292 Q C 0.883 176.878 176.000 -0.007 0.000 0.872 292 Q CA 0.188 55.986 55.803 -0.008 0.000 0.951 292 Q CB 0.247 28.978 28.738 -0.013 0.000 1.099 292 Q HN 0.721 nan 8.270 nan 0.000 0.501 293 L N -0.703 120.519 121.223 -0.003 0.000 2.609 293 L HA 0.200 4.540 4.340 -0.001 0.000 0.230 293 L C 0.505 177.390 176.870 0.025 0.000 1.087 293 L CA 0.100 54.943 54.840 0.005 0.000 0.874 293 L CB 0.740 42.799 42.059 0.001 0.000 1.114 293 L HN -0.147 nan 8.230 nan 0.000 0.488 294 V N 1.306 121.239 119.914 0.032 0.000 2.644 294 V HA 0.206 4.325 4.120 -0.001 0.000 0.295 294 V C 0.322 176.444 176.094 0.047 0.000 1.053 294 V CA -0.705 61.627 62.300 0.053 0.000 0.987 294 V CB 1.439 33.304 31.823 0.071 0.000 1.006 294 V HN 0.358 nan 8.190 nan 0.000 0.472 295 R N 1.893 122.425 120.500 0.052 0.000 2.216 295 R HA 0.344 4.684 4.340 -0.001 0.000 0.332 295 R C -0.661 175.668 176.300 0.049 0.000 1.056 295 R CA -0.616 55.509 56.100 0.042 0.000 0.901 295 R CB 0.499 30.821 30.300 0.037 0.000 1.039 295 R HN 0.560 nan 8.270 nan 0.000 0.456 296 D N 3.229 123.654 120.400 0.042 0.000 2.358 296 D HA 0.004 4.644 4.640 -0.001 0.000 0.258 296 D C -0.320 176.008 176.300 0.046 0.000 1.223 296 D CA 0.322 54.351 54.000 0.048 0.000 0.886 296 D CB 0.769 41.591 40.800 0.037 0.000 1.120 296 D HN 0.685 nan 8.370 nan 0.000 0.482 297 E N 3.188 123.424 120.200 0.059 0.000 3.254 297 E HA 0.085 4.435 4.350 -0.001 0.000 0.184 297 E C 1.085 177.730 176.600 0.076 0.000 0.967 297 E CA -0.022 56.408 56.400 0.050 0.000 1.311 297 E CB 0.470 30.190 29.700 0.033 0.000 1.071 297 E HN 0.411 nan 8.360 nan 0.000 0.456 298 L N 1.302 122.590 121.223 0.108 0.000 2.622 298 L HA -0.105 4.234 4.340 -0.001 0.000 0.233 298 L C 1.658 178.636 176.870 0.179 0.000 1.156 298 L CA 0.860 55.819 54.840 0.198 0.000 0.866 298 L CB -0.193 41.960 42.059 0.157 0.000 0.980 298 L HN 0.245 nan 8.230 nan 0.000 0.448 299 D N -1.050 119.397 120.400 0.079 0.000 2.333 299 D HA 0.001 4.641 4.640 -0.001 0.000 0.208 299 D C 1.537 177.825 176.300 -0.020 0.000 0.984 299 D CA 0.991 55.011 54.000 0.034 0.000 0.873 299 D CB 0.320 41.132 40.800 0.019 0.000 0.935 299 D HN 0.178 nan 8.370 nan 0.000 0.521 300 G N -0.542 108.241 108.800 -0.029 0.000 2.231 300 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.206 300 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.206 300 G C 0.272 175.146 174.900 -0.043 0.000 0.996 300 G CA 0.028 45.086 45.100 -0.070 0.000 0.645 300 G HN 0.481 nan 8.290 nan 0.000 0.498 311 Q N 1.271 121.098 119.800 0.045 0.000 2.197 311 Q HA -0.167 4.172 4.340 -0.001 0.000 0.207 311 Q C -0.333 175.705 176.000 0.063 0.000 0.984 311 Q CA 1.483 57.318 55.803 0.054 0.000 0.869 311 Q CB -0.257 28.510 28.738 0.048 0.000 0.906 311 Q HN 0.470 nan 8.270 nan 0.000 0.426 312 D N 1.136 121.570 120.400 0.057 0.000 2.383 312 D HA 0.050 4.690 4.640 -0.001 0.000 0.252 312 D C -0.010 176.342 176.300 0.087 0.000 1.166 312 D CA 0.088 54.126 54.000 0.063 0.000 0.879 312 D CB 0.607 41.431 40.800 0.040 0.000 1.164 312 D HN -0.052 nan 8.370 nan 0.000 0.462 313 R N 2.156 122.702 120.500 0.077 0.000 2.827 313 R HA -0.033 4.307 4.340 -0.001 0.000 0.269 313 R C 0.970 177.384 176.300 0.189 0.000 1.048 313 R CA -0.127 56.021 56.100 0.080 0.000 1.173 313 R CB -0.074 30.213 30.300 -0.020 0.000 1.070 313 R HN 0.520 nan 8.270 nan 0.000 0.498 314 Y N 0.803 121.071 120.300 -0.054 0.000 2.241 314 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 314 Y C 2.511 178.375 175.900 -0.061 0.000 1.166 314 Y CA 1.721 59.787 58.100 -0.057 0.000 1.203 314 Y CB -0.859 37.560 38.460 -0.068 0.000 0.977 314 Y HN 0.635 nan 8.280 nan 0.000 0.529 315 S N -0.901 114.867 115.700 0.113 0.000 2.465 315 S HA -0.130 4.339 4.470 -0.001 0.000 0.241 315 S C 1.792 176.505 174.600 0.188 0.000 1.000 315 S CA 1.217 59.477 58.200 0.100 0.000 0.964 315 S CB -0.629 62.659 63.200 0.147 0.000 0.763 315 S HN 0.458 nan 8.310 nan 0.000 0.512 316 L N -0.088 121.212 121.223 0.128 0.000 2.347 316 L HA 0.325 4.665 4.340 -0.001 0.000 0.196 316 L C 2.889 179.776 176.870 0.028 0.000 1.072 316 L CA 0.543 55.460 54.840 0.128 0.000 0.817 316 L CB -0.416 41.712 42.059 0.116 0.000 1.029 316 L HN 0.225 nan 8.230 nan 0.000 0.478 317 R N 0.021 120.502 120.500 -0.032 0.000 2.148 317 R HA -0.097 4.242 4.340 -0.001 0.000 0.227 317 R C 1.445 177.661 176.300 -0.141 0.000 1.103 317 R CA 1.364 57.380 56.100 -0.140 0.000 0.983 317 R CB -0.096 30.131 30.300 -0.123 0.000 0.874 317 R HN 0.370 nan 8.270 nan 0.000 0.451 318 C N 0.238 119.483 119.300 -0.092 0.000 2.778 318 C HA 0.247 4.707 4.460 -0.001 0.000 0.294 318 C C 1.844 176.849 174.990 0.025 0.000 1.331 318 C CA -0.853 58.124 59.018 -0.069 0.000 1.741 318 C CB -1.086 26.573 27.740 -0.136 0.000 2.106 318 C HN 0.583 nan 8.230 nan 0.000 0.603 319 L N 2.567 123.840 121.223 0.084 0.000 2.012 319 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 319 L C -0.713 176.272 176.870 0.190 0.000 1.073 319 L CA 2.319 57.258 54.840 0.164 0.000 0.748 319 L CB -0.946 41.258 42.059 0.242 0.000 0.891 319 L HN 0.162 nan 8.230 nan 0.000 0.431 320 P HA -0.148 nan 4.420 nan 0.000 0.216 320 P C 1.264 178.639 177.300 0.125 0.000 1.153 320 P CA 1.205 64.380 63.100 0.126 0.000 0.848 320 P CB 0.067 31.762 31.700 -0.009 0.000 0.787 321 Q N -1.971 117.914 119.800 0.141 0.000 2.124 321 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 321 Q C 2.062 178.094 176.000 0.054 0.000 0.977 321 Q CA 1.476 57.335 55.803 0.093 0.000 0.850 321 Q CB -1.157 27.623 28.738 0.070 0.000 0.901 321 Q HN 0.345 nan 8.270 nan 0.000 0.429 322 Y N 0.133 120.397 120.300 -0.059 0.000 2.184 322 Y HA -0.076 4.474 4.550 -0.001 0.000 0.290 322 Y C 1.539 177.399 175.900 -0.066 0.000 1.129 322 Y CA 1.199 59.236 58.100 -0.105 0.000 1.144 322 Y CB 0.089 38.411 38.460 -0.230 0.000 0.995 322 Y HN 0.019 nan 8.280 nan 0.000 0.513 323 L N -0.652 120.678 121.223 0.178 0.000 2.217 323 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 323 L C 2.660 179.526 176.870 -0.006 0.000 1.107 323 L CA 0.809 55.721 54.840 0.120 0.000 0.783 323 L CB -1.184 41.011 42.059 0.227 0.000 0.919 323 L HN 0.396 nan 8.230 nan 0.000 0.442 324 G N 1.557 110.355 108.800 -0.004 0.000 2.553 324 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 324 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 324 G C -0.725 174.088 174.900 -0.145 0.000 1.195 324 G CA 0.973 46.052 45.100 -0.036 0.000 0.779 324 G HN 0.330 nan 8.290 nan 0.000 0.577 325 P HA 0.041 nan 4.420 nan 0.000 0.221 325 P C 1.837 178.887 177.300 -0.418 0.000 1.150 325 P CA 0.590 63.527 63.100 -0.273 0.000 0.800 325 P CB 0.001 31.548 31.700 -0.255 0.000 0.787 326 I N -1.348 118.969 120.570 -0.421 0.000 2.193 326 I HA -0.176 3.994 4.170 -0.001 0.000 0.240 326 I C 2.172 178.003 176.117 -0.476 0.000 1.084 326 I CA 1.216 62.173 61.300 -0.571 0.000 1.365 326 I CB -0.787 37.036 38.000 -0.294 0.000 1.064 326 I HN -0.192 nan 8.210 nan 0.000 0.410 327 V N 0.909 120.659 119.914 -0.273 0.000 2.295 327 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 327 V C 2.050 177.959 176.094 -0.309 0.000 1.049 327 V CA 2.031 64.165 62.300 -0.276 0.000 1.024 327 V CB -0.663 31.016 31.823 -0.240 0.000 0.648 327 V HN 0.397 nan 8.190 nan 0.000 0.447 328 D N 0.455 120.697 120.400 -0.263 0.000 2.144 328 D HA -0.084 4.556 4.640 -0.001 0.000 0.200 328 D C 2.189 178.371 176.300 -0.197 0.000 0.978 328 D CA 1.516 55.395 54.000 -0.202 0.000 0.833 328 D CB -0.516 40.203 40.800 -0.134 0.000 0.961 328 D HN 0.473 nan 8.370 nan 0.000 0.470 329 G N 0.686 109.282 108.800 -0.340 0.000 2.402 329 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 329 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 329 G C 1.768 176.628 174.900 -0.067 0.000 1.162 329 G CA 0.141 45.070 45.100 -0.285 0.000 0.777 329 G HN 0.263 nan 8.290 nan 0.000 0.539 330 I N 1.044 121.498 120.570 -0.193 0.000 2.394 330 I HA -0.133 4.037 4.170 -0.001 0.000 0.251 330 I C 2.864 178.965 176.117 -0.028 0.000 1.136 330 I CA 0.808 62.099 61.300 -0.016 0.000 1.425 330 I CB -0.040 37.925 38.000 -0.058 0.000 1.079 330 I HN 0.094 nan 8.210 nan 0.000 0.425 331 S N 0.149 115.789 115.700 -0.099 0.000 2.371 331 S HA -0.227 4.242 4.470 -0.001 0.000 0.224 331 S C 1.877 176.460 174.600 -0.028 0.000 1.029 331 S CA 1.190 59.336 58.200 -0.090 0.000 0.978 331 S CB -0.216 62.894 63.200 -0.150 0.000 0.833 331 S HN 0.405 nan 8.310 nan 0.000 0.466 332 Q N 1.530 121.329 119.800 -0.001 0.000 2.050 332 Q HA -0.022 4.317 4.340 -0.001 0.000 0.202 332 Q C 1.837 177.886 176.000 0.082 0.000 0.980 332 Q CA 1.590 57.421 55.803 0.046 0.000 0.840 332 Q CB -0.501 28.285 28.738 0.079 0.000 0.898 332 Q HN 0.563 nan 8.270 nan 0.000 0.424 333 I N 0.344 120.986 120.570 0.120 0.000 2.226 333 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 333 I C 2.311 178.475 176.117 0.079 0.000 1.100 333 I CA 1.002 62.382 61.300 0.133 0.000 1.374 333 I CB -0.589 37.518 38.000 0.177 0.000 1.057 333 I HN 0.352 nan 8.210 nan 0.000 0.413 334 A N 0.697 123.549 122.820 0.054 0.000 1.908 334 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 334 A C 2.404 179.997 177.584 0.014 0.000 1.181 334 A CA 2.044 54.101 52.037 0.033 0.000 0.627 334 A CB -0.566 18.443 19.000 0.015 0.000 0.818 334 A HN 0.373 nan 8.150 nan 0.000 0.445 335 K N -0.497 119.906 120.400 0.005 0.000 2.057 335 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 335 K C 2.208 178.786 176.600 -0.036 0.000 1.049 335 K CA 1.646 57.924 56.287 -0.015 0.000 0.931 335 K CB -0.190 32.302 32.500 -0.014 0.000 0.714 335 K HN 0.674 nan 8.250 nan 0.000 0.440 336 Q N 0.104 119.891 119.800 -0.021 0.000 2.123 336 Q HA -0.092 4.248 4.340 -0.001 0.000 0.199 336 Q C 2.032 177.986 176.000 -0.076 0.000 0.966 336 Q CA 0.863 56.617 55.803 -0.081 0.000 0.845 336 Q CB 0.063 28.827 28.738 0.043 0.000 0.907 336 Q HN 0.299 nan 8.270 nan 0.000 0.439 337 I N 1.355 121.921 120.570 -0.007 0.000 2.394 337 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 337 I C 1.935 178.040 176.117 -0.021 0.000 1.136 337 I CA 1.411 62.712 61.300 0.001 0.000 1.425 337 I CB -0.857 37.161 38.000 0.029 0.000 1.079 337 I HN 0.292 nan 8.210 nan 0.000 0.425 338 E N 0.513 120.698 120.200 -0.025 0.000 2.150 338 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 338 E C 2.340 178.909 176.600 -0.052 0.000 0.985 338 E CA 0.885 57.267 56.400 -0.029 0.000 0.814 338 E CB 0.080 29.767 29.700 -0.022 0.000 0.752 338 E HN 0.472 nan 8.360 nan 0.000 0.466 339 I N 0.851 121.371 120.570 -0.083 0.000 2.286 339 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 339 I C 2.500 178.556 176.117 -0.102 0.000 1.104 339 I CA 0.881 62.116 61.300 -0.109 0.000 1.397 339 I CB -0.030 37.865 38.000 -0.174 0.000 1.072 339 I HN 0.021 nan 8.210 nan 0.000 0.417 340 E N 1.620 121.760 120.200 -0.101 0.000 2.110 340 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 340 E C 2.053 178.630 176.600 -0.038 0.000 0.988 340 E CA 1.344 57.706 56.400 -0.063 0.000 0.804 340 E CB -0.218 29.465 29.700 -0.028 0.000 0.745 340 E HN 0.424 nan 8.360 nan 0.000 0.458 341 I N 0.830 121.380 120.570 -0.034 0.000 2.361 341 I HA -0.227 3.943 4.170 -0.001 0.000 0.251 341 I C 1.081 177.176 176.117 -0.036 0.000 1.133 341 I CA 0.965 62.247 61.300 -0.030 0.000 1.413 341 I CB -0.168 37.817 38.000 -0.025 0.000 1.073 341 I HN 0.113 nan 8.210 nan 0.000 0.424 342 N N 0.225 118.901 118.700 -0.041 0.000 2.273 342 N HA 0.152 4.891 4.740 -0.001 0.000 0.231 342 N C -0.220 175.267 175.510 -0.039 0.000 1.134 342 N CA 0.108 53.134 53.050 -0.039 0.000 0.856 342 N CB 0.775 39.239 38.487 -0.037 0.000 1.068 342 N HN 0.094 nan 8.380 nan 0.000 0.510 343 S N 0.138 115.813 115.700 -0.040 0.000 2.651 343 S HA 0.433 4.902 4.470 -0.001 0.000 0.291 343 S C 0.323 174.909 174.600 -0.023 0.000 1.141 343 S CA -0.580 57.598 58.200 -0.037 0.000 1.027 343 S CB 2.542 65.715 63.200 -0.045 0.000 1.043 343 S HN -0.157 nan 8.310 nan 0.000 0.530 344 V N 2.753 122.659 119.914 -0.014 0.000 2.385 344 V HA 0.277 4.397 4.120 -0.001 0.000 0.269 344 V C 1.191 177.292 176.094 0.012 0.000 1.043 344 V CA -0.190 62.114 62.300 0.007 0.000 0.906 344 V CB 0.580 32.412 31.823 0.015 0.000 0.995 344 V HN 1.148 nan 8.190 nan 0.000 0.467 345 T N -0.657 113.916 114.554 0.032 0.000 3.044 345 T HA 0.119 4.469 4.350 -0.001 0.000 0.260 345 T C 0.427 175.198 174.700 0.119 0.000 1.019 345 T CA -0.312 61.821 62.100 0.054 0.000 0.921 345 T CB -0.122 68.784 68.868 0.063 0.000 1.053 345 T HN 0.745 nan 8.240 nan 0.000 0.533 346 D N 1.331 121.801 120.400 0.115 0.000 2.447 346 D HA 0.342 4.982 4.640 -0.001 0.000 0.265 346 D C -0.455 175.935 176.300 0.149 0.000 1.250 346 D CA -0.597 53.492 54.000 0.149 0.000 1.046 346 D CB 0.740 41.614 40.800 0.123 0.000 1.095 346 D HN 0.242 nan 8.370 nan 0.000 0.555 347 N N -1.018 117.765 118.700 0.140 0.000 2.555 347 N HA 0.291 5.030 4.740 -0.001 0.000 0.265 347 N C -2.981 172.524 175.510 -0.007 0.000 1.135 347 N CA -1.135 51.968 53.050 0.088 0.000 0.925 347 N CB 2.317 40.960 38.487 0.260 0.000 1.662 347 N HN 0.114 nan 8.380 nan 0.000 0.489 348 P HA 0.277 nan 4.420 nan 0.000 0.276 348 P C -0.790 176.463 177.300 -0.077 0.000 1.252 348 P CA -0.365 62.588 63.100 -0.246 0.000 0.802 348 P CB 1.110 32.482 31.700 -0.548 0.000 1.035 349 L N 1.453 122.660 121.223 -0.027 0.000 2.312 349 L HA 0.346 4.686 4.340 -0.001 0.000 0.281 349 L C 0.463 177.320 176.870 -0.021 0.000 1.070 349 L CA -1.010 53.840 54.840 0.017 0.000 0.805 349 L CB 0.626 42.729 42.059 0.072 0.000 1.174 349 L HN 0.185 nan 8.230 nan 0.000 0.434 350 I N 2.384 122.919 120.570 -0.059 0.000 2.325 350 I HA 0.141 4.311 4.170 -0.001 0.000 0.291 350 I C -0.101 175.902 176.117 -0.190 0.000 1.019 350 I CA -0.114 61.073 61.300 -0.187 0.000 1.302 350 I CB 1.034 38.943 38.000 -0.151 0.000 1.401 350 I HN 0.518 nan 8.210 nan 0.000 0.485 351 D N 6.339 126.568 120.400 -0.286 0.000 2.479 351 D HA 0.206 4.846 4.640 -0.001 0.000 0.247 351 D C 1.178 177.318 176.300 -0.267 0.000 1.119 351 D CA -0.498 53.415 54.000 -0.145 0.000 0.922 351 D CB 0.952 41.809 40.800 0.095 0.000 1.014 351 D HN 0.328 nan 8.370 nan 0.000 0.510 352 V N 1.316 121.088 119.914 -0.236 0.000 2.287 352 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 352 V C 1.502 177.534 176.094 -0.105 0.000 1.053 352 V CA 1.586 63.766 62.300 -0.200 0.000 1.027 352 V CB -0.452 31.309 31.823 -0.102 0.000 0.646 352 V HN 0.297 nan 8.190 nan 0.000 0.447 353 D N 1.061 121.424 120.400 -0.060 0.000 2.228 353 D HA -0.150 4.490 4.640 -0.001 0.000 0.203 353 D C 1.576 177.866 176.300 -0.018 0.000 0.988 353 D CA 1.755 55.740 54.000 -0.025 0.000 0.864 353 D CB -0.336 40.457 40.800 -0.011 0.000 0.928 353 D HN 0.614 nan 8.370 nan 0.000 0.469 354 N N 0.477 119.158 118.700 -0.031 0.000 2.204 354 N HA -0.025 4.715 4.740 -0.001 0.000 0.219 354 N C -0.388 175.096 175.510 -0.043 0.000 1.151 354 N CA -0.007 53.037 53.050 -0.010 0.000 0.867 354 N CB 0.765 39.277 38.487 0.041 0.000 1.043 354 N HN -0.001 nan 8.380 nan 0.000 0.516 355 Q N 0.017 119.762 119.800 -0.092 0.000 2.437 355 Q HA -0.195 4.145 4.340 -0.001 0.000 0.354 355 Q C -0.593 175.372 176.000 -0.059 0.000 1.402 355 Q CA 0.598 56.368 55.803 -0.054 0.000 1.020 355 Q CB -1.631 27.175 28.738 0.113 0.000 1.220 355 Q HN 0.514 nan 8.270 nan 0.000 0.368 356 A N -0.121 122.463 122.820 -0.393 0.000 2.610 356 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 356 A C -0.520 176.687 177.584 -0.628 0.000 1.086 356 A CA 0.091 51.918 52.037 -0.349 0.000 0.677 356 A CB 1.736 20.516 19.000 -0.366 0.000 1.278 356 A HN 0.600 nan 8.150 nan 0.000 0.414 357 S N -0.235 115.180 115.700 -0.474 0.000 2.526 357 S HA 0.845 5.315 4.470 -0.001 0.000 0.293 357 S C -1.325 172.991 174.600 -0.473 0.000 1.092 357 S CA -0.525 57.438 58.200 -0.394 0.000 0.980 357 S CB 0.966 64.155 63.200 -0.018 0.000 1.048 357 S HN 0.661 nan 8.310 nan 0.000 0.483 358 Y N -0.098 120.204 120.300 0.004 0.000 2.409 358 Y HA 0.467 5.017 4.550 -0.001 0.000 0.343 358 Y C -0.030 175.866 175.900 -0.006 0.000 0.973 358 Y CA -0.961 57.163 58.100 0.041 0.000 1.064 358 Y CB 1.382 39.850 38.460 0.013 0.000 1.207 358 Y HN 0.743 nan 8.280 nan 0.000 0.452 359 H N 1.304 120.488 119.070 0.190 0.000 2.705 359 H HA 0.547 5.102 4.556 -0.001 0.000 0.291 359 H C 0.298 175.691 175.328 0.108 0.000 1.085 359 H CA 0.042 56.175 56.048 0.141 0.000 1.357 359 H CB 0.820 30.655 29.762 0.122 0.000 1.419 359 H HN 0.902 nan 8.280 nan 0.000 0.462 360 G N 0.953 109.817 108.800 0.106 0.000 3.251 360 G HA2 0.487 4.447 3.960 -0.001 0.000 0.248 360 G HA3 0.487 4.447 3.960 -0.001 0.000 0.248 360 G C 0.026 174.820 174.900 -0.177 0.000 1.320 360 G CA -0.590 44.504 45.100 -0.009 0.000 0.982 360 G HN 0.610 nan 8.290 nan 0.000 0.575 361 G N -0.329 108.237 108.800 -0.390 0.000 4.716 361 G HA2 0.239 4.198 3.960 -0.001 0.000 0.282 361 G HA3 0.239 4.198 3.960 -0.001 0.000 0.282 361 G C 0.287 174.625 174.900 -0.937 0.000 1.173 361 G CA -0.220 44.292 45.100 -0.979 0.000 0.913 361 G HN 0.283 nan 8.290 nan 0.000 0.566 362 N N 0.861 119.197 118.700 -0.606 0.000 2.520 362 N HA -0.061 4.679 4.740 -0.001 0.000 0.185 362 N C 1.683 177.068 175.510 -0.208 0.000 1.068 362 N CA 0.415 53.285 53.050 -0.299 0.000 0.911 362 N CB -0.209 38.196 38.487 -0.137 0.000 0.961 362 N HN 0.612 nan 8.380 nan 0.000 0.446 363 F N -0.434 119.527 119.950 0.018 0.000 2.748 363 F HA 0.190 4.716 4.527 -0.001 0.000 0.299 363 F C 0.674 176.481 175.800 0.012 0.000 1.154 363 F CA -0.689 57.321 58.000 0.016 0.000 1.446 363 F CB -0.951 38.059 39.000 0.017 0.000 1.112 363 F HN -0.153 nan 8.300 nan 0.000 0.584 364 L N 2.183 123.461 121.223 0.092 0.000 2.315 364 L HA 0.527 4.867 4.340 -0.001 0.000 0.283 364 L C 0.883 177.790 176.870 0.061 0.000 1.089 364 L CA -0.269 54.643 54.840 0.120 0.000 0.833 364 L CB 0.744 42.803 42.059 0.000 0.000 1.170 364 L HN 0.217 nan 8.230 nan 0.000 0.442 365 G N 3.345 112.193 108.800 0.079 0.000 3.717 365 G HA2 0.079 4.039 3.960 -0.001 0.000 0.258 365 G HA3 0.079 4.039 3.960 -0.001 0.000 0.258 365 G C 0.651 175.573 174.900 0.037 0.000 1.088 365 G CA -0.275 44.870 45.100 0.075 0.000 1.737 365 G HN 0.762 nan 8.290 nan 0.000 0.648 366 Q N 0.229 120.023 119.800 -0.010 0.000 2.124 366 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 366 Q C 1.551 177.463 176.000 -0.146 0.000 0.977 366 Q CA 1.590 57.323 55.803 -0.117 0.000 0.850 366 Q CB -0.273 28.341 28.738 -0.206 0.000 0.901 366 Q HN 0.712 nan 8.270 nan 0.000 0.429 367 Y N -1.442 118.828 120.300 -0.049 0.000 2.293 367 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 367 Y C 2.086 177.959 175.900 -0.045 0.000 1.137 367 Y CA 1.039 59.112 58.100 -0.045 0.000 1.202 367 Y CB 0.065 38.509 38.460 -0.027 0.000 0.990 367 Y HN -0.030 nan 8.280 nan 0.000 0.537 368 V N -1.095 118.885 119.914 0.110 0.000 2.407 368 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 368 V C 2.479 178.575 176.094 0.002 0.000 1.041 368 V CA 1.777 64.112 62.300 0.058 0.000 1.040 368 V CB -1.257 30.603 31.823 0.063 0.000 0.671 368 V HN 0.497 nan 8.190 nan 0.000 0.455 369 G N -0.377 108.412 108.800 -0.018 0.000 2.421 369 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.216 369 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.216 369 G C 1.625 176.457 174.900 -0.114 0.000 1.171 369 G CA 1.109 46.181 45.100 -0.047 0.000 0.775 369 G HN 0.425 nan 8.290 nan 0.000 0.543 370 M N 0.710 120.202 119.600 -0.179 0.000 2.254 370 M HA 0.111 4.591 4.480 -0.001 0.000 0.265 370 M C 2.823 178.867 176.300 -0.426 0.000 1.066 370 M CA 1.091 56.192 55.300 -0.332 0.000 1.123 370 M CB -0.187 32.197 32.600 -0.360 0.000 1.388 370 M HN 0.272 nan 8.290 nan 0.000 0.425 371 G N 0.457 109.135 108.800 -0.203 0.000 2.418 371 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 371 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 371 G C 1.481 176.345 174.900 -0.061 0.000 1.158 371 G CA 0.661 45.709 45.100 -0.087 0.000 0.771 371 G HN 0.243 nan 8.290 nan 0.000 0.545 372 M N 0.883 120.448 119.600 -0.058 0.000 2.319 372 M HA 0.042 4.521 4.480 -0.001 0.000 0.265 372 M C 1.846 178.113 176.300 -0.055 0.000 1.068 372 M CA 0.661 55.941 55.300 -0.032 0.000 1.118 372 M CB -0.797 31.790 32.600 -0.020 0.000 1.395 372 M HN 0.091 nan 8.290 nan 0.000 0.435 373 D N -0.257 120.075 120.400 -0.115 0.000 2.097 373 D HA -0.161 4.478 4.640 -0.001 0.000 0.195 373 D C 1.952 178.212 176.300 -0.067 0.000 0.989 373 D CA 1.306 55.243 54.000 -0.105 0.000 0.827 373 D CB -0.290 40.406 40.800 -0.174 0.000 0.966 373 D HN 0.325 nan 8.370 nan 0.000 0.456 374 H N 0.112 119.047 119.070 -0.225 0.000 2.353 374 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 374 H C 2.136 177.098 175.328 -0.611 0.000 1.090 374 H CA 0.483 56.247 56.048 -0.473 0.000 1.327 374 H CB -0.751 28.763 29.762 -0.413 0.000 1.383 374 H HN 0.095 nan 8.280 nan 0.000 0.508 375 L N 1.097 122.255 121.223 -0.107 0.000 2.012 375 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 375 L C 2.360 179.225 176.870 -0.010 0.000 1.073 375 L CA 1.663 56.514 54.840 0.017 0.000 0.748 375 L CB -0.291 41.811 42.059 0.072 0.000 0.891 375 L HN 0.056 nan 8.230 nan 0.000 0.431 376 R N -2.044 118.447 120.500 -0.014 0.000 2.115 376 R HA -0.209 4.131 4.340 -0.001 0.000 0.230 376 R C 2.253 178.563 176.300 0.016 0.000 1.111 376 R CA 1.605 57.709 56.100 0.006 0.000 0.976 376 R CB -0.701 29.624 30.300 0.043 0.000 0.870 376 R HN 0.472 nan 8.270 nan 0.000 0.445 377 Y N 0.583 120.787 120.300 -0.161 0.000 2.181 377 Y HA -0.265 4.284 4.550 -0.001 0.000 0.288 377 Y C 1.721 177.569 175.900 -0.088 0.000 1.146 377 Y CA 1.310 59.314 58.100 -0.160 0.000 1.164 377 Y CB -0.341 37.970 38.460 -0.248 0.000 0.982 377 Y HN -0.051 nan 8.280 nan 0.000 0.515 378 Y N 0.099 120.346 120.300 -0.088 0.000 2.181 378 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 378 Y C 2.566 178.322 175.900 -0.239 0.000 1.146 378 Y CA 1.145 59.116 58.100 -0.215 0.000 1.164 378 Y CB -1.111 37.301 38.460 -0.080 0.000 0.982 378 Y HN 0.169 nan 8.280 nan 0.000 0.515 379 I N -0.522 119.990 120.570 -0.096 0.000 2.226 379 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 379 I C 2.657 178.523 176.117 -0.419 0.000 1.100 379 I CA 1.524 62.583 61.300 -0.402 0.000 1.374 379 I CB -0.918 36.835 38.000 -0.411 0.000 1.057 379 I HN 0.265 nan 8.210 nan 0.000 0.413 380 G N 1.034 109.697 108.800 -0.228 0.000 2.440 380 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 380 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 380 G C 1.709 176.529 174.900 -0.134 0.000 1.154 380 G CA 0.542 45.545 45.100 -0.161 0.000 0.767 380 G HN 0.274 nan 8.290 nan 0.000 0.552 381 L N -0.211 120.922 121.223 -0.150 0.000 2.083 381 L HA 0.007 4.347 4.340 -0.001 0.000 0.209 381 L C 2.917 179.893 176.870 0.177 0.000 1.083 381 L CA 0.448 55.269 54.840 -0.032 0.000 0.752 381 L CB -0.358 41.568 42.059 -0.222 0.000 0.899 381 L HN 0.196 nan 8.230 nan 0.000 0.433 382 L N -0.460 120.813 121.223 0.084 0.000 2.017 382 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 382 L C 2.891 179.904 176.870 0.238 0.000 1.073 382 L CA 1.272 56.253 54.840 0.235 0.000 0.745 382 L CB -0.684 41.462 42.059 0.144 0.000 0.894 382 L HN 0.240 nan 8.230 nan 0.000 0.432 383 A N -0.065 122.759 122.820 0.008 0.000 1.902 383 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 383 A C 2.364 179.895 177.584 -0.088 0.000 1.181 383 A CA 2.023 53.993 52.037 -0.111 0.000 0.623 383 A CB -0.454 18.293 19.000 -0.422 0.000 0.818 383 A HN 0.322 nan 8.150 nan 0.000 0.443 384 K N -1.118 119.280 120.400 -0.003 0.000 2.097 384 K HA -0.223 4.097 4.320 -0.001 0.000 0.206 384 K C 2.005 178.682 176.600 0.127 0.000 1.049 384 K CA 1.651 57.966 56.287 0.047 0.000 0.933 384 K CB -0.362 32.177 32.500 0.065 0.000 0.717 384 K HN 0.805 nan 8.250 nan 0.000 0.442 385 H N -0.009 119.087 119.070 0.042 0.000 2.326 385 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 385 H C 2.047 177.449 175.328 0.123 0.000 1.081 385 H CA 1.401 57.424 56.048 -0.041 0.000 1.334 385 H CB 0.113 29.796 29.762 -0.132 0.000 1.385 385 H HN 0.150 nan 8.280 nan 0.000 0.504 386 L N 0.322 121.658 121.223 0.188 0.000 2.131 386 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 386 L C 2.168 179.124 176.870 0.143 0.000 1.092 386 L CA 1.341 56.233 54.840 0.087 0.000 0.759 386 L CB -0.260 41.934 42.059 0.224 0.000 0.903 386 L HN 0.346 nan 8.230 nan 0.000 0.435 387 D N -0.652 119.871 120.400 0.205 0.000 2.144 387 D HA -0.137 4.503 4.640 -0.001 0.000 0.200 387 D C 2.179 178.512 176.300 0.054 0.000 0.978 387 D CA 0.691 54.789 54.000 0.164 0.000 0.833 387 D CB 0.219 41.110 40.800 0.152 0.000 0.961 387 D HN -0.025 nan 8.370 nan 0.000 0.470 388 V N 0.689 120.644 119.914 0.068 0.000 2.626 388 V HA -0.189 3.930 4.120 -0.001 0.000 0.252 388 V C 2.288 178.401 176.094 0.031 0.000 1.067 388 V CA 1.234 63.557 62.300 0.038 0.000 1.081 388 V CB -0.307 31.544 31.823 0.048 0.000 0.686 388 V HN 0.281 nan 8.190 nan 0.000 0.468 389 Q N -0.510 119.318 119.800 0.047 0.000 2.083 389 Q HA -0.038 4.302 4.340 -0.001 0.000 0.198 389 Q C 2.268 178.259 176.000 -0.016 0.000 0.969 389 Q CA 1.498 57.324 55.803 0.038 0.000 0.838 389 Q CB -0.256 28.505 28.738 0.038 0.000 0.900 389 Q HN 0.555 nan 8.270 nan 0.000 0.436 390 I N 0.931 121.437 120.570 -0.107 0.000 2.286 390 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 390 I C 2.297 178.290 176.117 -0.206 0.000 1.115 390 I CA 0.990 62.102 61.300 -0.314 0.000 1.392 390 I CB -0.355 37.289 38.000 -0.592 0.000 1.065 390 I HN 0.068 nan 8.210 nan 0.000 0.418 391 A N 0.874 123.642 122.820 -0.087 0.000 1.930 391 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 391 A C 2.275 179.911 177.584 0.086 0.000 1.175 391 A CA 1.245 53.282 52.037 -0.000 0.000 0.627 391 A CB -0.672 18.337 19.000 0.015 0.000 0.815 391 A HN 0.377 nan 8.150 nan 0.000 0.443 392 L N -0.690 120.579 121.223 0.076 0.000 2.056 392 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 392 L C 2.528 179.500 176.870 0.170 0.000 1.078 392 L CA 0.937 55.867 54.840 0.150 0.000 0.749 392 L CB -0.583 41.534 42.059 0.097 0.000 0.901 392 L HN 0.357 nan 8.230 nan 0.000 0.433 393 L N -0.204 121.097 121.223 0.130 0.000 2.083 393 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 393 L C 2.754 179.744 176.870 0.200 0.000 1.083 393 L CA 1.197 56.140 54.840 0.172 0.000 0.752 393 L CB -0.650 41.535 42.059 0.211 0.000 0.899 393 L HN 0.252 nan 8.230 nan 0.000 0.433 394 A N -1.214 121.719 122.820 0.188 0.000 2.067 394 A HA 0.021 4.341 4.320 -0.001 0.000 0.217 394 A C 1.152 178.821 177.584 0.141 0.000 1.156 394 A CA 0.408 52.569 52.037 0.206 0.000 0.683 394 A CB -0.105 19.016 19.000 0.202 0.000 0.808 394 A HN 0.325 nan 8.150 nan 0.000 0.455 395 S N 0.684 116.468 115.700 0.140 0.000 2.429 395 S HA 0.401 4.871 4.470 -0.001 0.000 0.302 395 S C -2.150 172.470 174.600 0.033 0.000 1.115 395 S CA -1.040 57.212 58.200 0.086 0.000 1.095 395 S CB 1.530 64.811 63.200 0.136 0.000 0.987 395 S HN 0.078 nan 8.310 nan 0.000 0.474 396 P HA -0.138 nan 4.420 nan 0.000 0.217 396 P C 0.821 178.060 177.300 -0.102 0.000 1.148 396 P CA 1.064 64.147 63.100 -0.029 0.000 0.828 396 P CB 0.148 31.829 31.700 -0.032 0.000 0.783 397 E N -1.984 118.056 120.200 -0.267 0.000 2.204 397 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 397 E C 0.922 177.227 176.600 -0.491 0.000 0.990 397 E CA 1.141 57.245 56.400 -0.494 0.000 0.821 397 E CB -0.533 28.640 29.700 -0.878 0.000 0.750 397 E HN 0.376 nan 8.360 nan 0.000 0.477 398 F N -1.448 118.522 119.950 0.033 0.000 2.767 398 F HA 0.192 4.719 4.527 -0.001 0.000 0.323 398 F C 1.663 177.491 175.800 0.047 0.000 1.091 398 F CA 0.063 58.084 58.000 0.036 0.000 1.192 398 F CB 0.027 39.047 39.000 0.032 0.000 1.056 398 F HN -0.080 nan 8.300 nan 0.000 0.571 399 S N -0.656 115.157 115.700 0.188 0.000 2.603 399 S HA -0.018 4.451 4.470 -0.001 0.000 0.220 399 S C 0.465 175.136 174.600 0.118 0.000 0.967 399 S CA 0.039 58.330 58.200 0.151 0.000 0.920 399 S CB -0.779 62.500 63.200 0.131 0.000 0.773 399 S HN 0.362 nan 8.310 nan 0.000 0.529 400 N N 1.358 120.122 118.700 0.105 0.000 2.727 400 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 400 N C 0.765 176.314 175.510 0.066 0.000 1.040 400 N CA 1.037 54.135 53.050 0.081 0.000 0.712 400 N CB -1.739 36.798 38.487 0.084 0.000 0.912 400 N HN 1.055 nan 8.380 nan 0.000 0.545 401 G N -1.729 107.106 108.800 0.057 0.000 2.176 401 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.232 401 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.232 401 G C 0.137 175.080 174.900 0.071 0.000 0.986 401 G CA 0.281 45.413 45.100 0.054 0.000 0.643 401 G HN 0.396 nan 8.290 nan 0.000 0.522 402 L N 1.023 122.296 121.223 0.084 0.000 2.418 402 L HA 0.421 4.761 4.340 -0.001 0.000 0.265 402 L C -1.620 175.302 176.870 0.086 0.000 1.143 402 L CA -2.027 52.873 54.840 0.101 0.000 0.809 402 L CB 0.519 42.648 42.059 0.118 0.000 1.124 402 L HN -0.099 nan 8.230 nan 0.000 0.456 403 P HA 0.066 nan 4.420 nan 0.000 0.269 403 P C -2.449 174.883 177.300 0.053 0.000 1.209 403 P CA -0.922 62.214 63.100 0.060 0.000 0.776 403 P CB -0.157 31.574 31.700 0.052 0.000 0.876 404 P HA -0.096 nan 4.420 nan 0.000 0.264 404 P C -0.211 177.116 177.300 0.044 0.000 1.193 404 P CA 0.687 63.809 63.100 0.036 0.000 0.763 404 P CB 0.187 31.895 31.700 0.013 0.000 0.810 405 S N 1.549 117.300 115.700 0.085 0.000 3.473 405 S HA -0.200 4.269 4.470 -0.001 0.000 0.339 405 S C 0.852 175.486 174.600 0.058 0.000 1.148 405 S CA 0.823 59.089 58.200 0.109 0.000 0.969 405 S CB -2.026 61.213 63.200 0.065 0.000 0.936 405 S HN 0.670 nan 8.310 nan 0.000 0.530 406 L N -2.633 118.632 121.223 0.070 0.000 3.781 406 L HA -0.229 4.110 4.340 -0.001 0.000 0.426 406 L C 0.523 177.372 176.870 -0.034 0.000 1.197 406 L CA 0.327 55.186 54.840 0.031 0.000 0.907 406 L CB -1.453 40.612 42.059 0.011 0.000 1.812 406 L HN 0.548 nan 8.230 nan 0.000 0.956 407 L N 0.345 121.543 121.223 -0.040 0.000 2.506 407 L HA 0.350 4.690 4.340 -0.001 0.000 0.281 407 L C 1.385 178.188 176.870 -0.112 0.000 1.228 407 L CA 1.527 56.309 54.840 -0.096 0.000 0.850 407 L CB 1.147 43.150 42.059 -0.093 0.000 1.110 407 L HN 0.127 nan 8.230 nan 0.000 0.496 408 G N 2.712 111.395 108.800 -0.196 0.000 2.724 408 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.217 408 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.217 408 G C 0.145 174.720 174.900 -0.542 0.000 1.251 408 G CA 0.182 45.150 45.100 -0.221 0.000 0.867 408 G HN 0.696 nan 8.290 nan 0.000 0.590 409 N N 1.263 119.347 118.700 -1.028 0.000 2.605 409 N HA 0.092 4.831 4.740 -0.001 0.000 0.258 409 N C 1.801 176.927 175.510 -0.640 0.000 1.156 409 N CA -0.274 51.916 53.050 -1.434 0.000 1.008 409 N CB 0.455 37.755 38.487 -1.977 0.000 1.354 409 N HN 0.436 nan 8.380 nan 0.000 0.509 410 R N 1.919 122.184 120.500 -0.392 0.000 2.139 410 R HA -0.209 4.131 4.340 -0.001 0.000 0.243 410 R C 1.393 177.590 176.300 -0.172 0.000 1.145 410 R CA 1.490 57.470 56.100 -0.201 0.000 0.976 410 R CB -0.294 29.951 30.300 -0.092 0.000 0.866 410 R HN 0.590 nan 8.270 nan 0.000 0.449 411 E N 1.400 121.487 120.200 -0.188 0.000 2.070 411 E HA -0.160 4.190 4.350 -0.001 0.000 0.197 411 E C 0.366 176.889 176.600 -0.127 0.000 1.004 411 E CA 0.934 57.264 56.400 -0.117 0.000 0.805 411 E CB 0.094 29.747 29.700 -0.078 0.000 0.744 411 E HN 0.280 nan 8.360 nan 0.000 0.451 412 R N 1.255 121.639 120.500 -0.194 0.000 2.351 412 R HA 0.043 4.383 4.340 -0.001 0.000 0.321 412 R C 0.596 176.812 176.300 -0.140 0.000 1.182 412 R CA -0.310 55.694 56.100 -0.160 0.000 1.011 412 R CB 0.465 30.644 30.300 -0.202 0.000 1.048 412 R HN 0.030 nan 8.270 nan 0.000 0.490 413 K N 1.643 121.985 120.400 -0.097 0.000 2.520 413 K HA -0.098 4.222 4.320 -0.001 0.000 0.197 413 K C 1.634 178.188 176.600 -0.078 0.000 1.043 413 K CA 0.912 57.152 56.287 -0.079 0.000 0.944 413 K CB -0.071 32.396 32.500 -0.055 0.000 0.770 413 K HN 0.446 nan 8.250 nan 0.000 0.480 414 V N -1.566 118.296 119.914 -0.087 0.000 3.052 414 V HA 0.063 4.182 4.120 -0.001 0.000 0.254 414 V C 0.562 176.599 176.094 -0.094 0.000 1.100 414 V CA -0.143 62.110 62.300 -0.079 0.000 1.112 414 V CB -0.417 31.362 31.823 -0.072 0.000 0.738 414 V HN 0.042 nan 8.190 nan 0.000 0.469 415 N N 1.755 120.379 118.700 -0.126 0.000 2.454 415 N HA 0.187 4.927 4.740 -0.001 0.000 0.260 415 N C 0.465 175.905 175.510 -0.116 0.000 1.218 415 N CA 0.355 53.318 53.050 -0.145 0.000 0.904 415 N CB 1.235 39.593 38.487 -0.214 0.000 1.065 415 N HN 0.312 nan 8.380 nan 0.000 0.462 416 M N 0.781 120.320 119.600 -0.102 0.000 2.306 416 M HA 0.163 4.643 4.480 -0.001 0.000 0.292 416 M C 1.232 177.485 176.300 -0.078 0.000 1.018 416 M CA -0.195 55.061 55.300 -0.074 0.000 1.007 416 M CB -0.757 31.811 32.600 -0.054 0.000 1.510 416 M HN 0.706 nan 8.290 nan 0.000 0.537 417 G N 2.012 110.743 108.800 -0.115 0.000 2.583 417 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.292 417 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.292 417 G C 0.381 175.196 174.900 -0.142 0.000 1.203 417 G CA 0.011 45.031 45.100 -0.134 0.000 0.987 417 G HN 0.419 nan 8.290 nan 0.000 0.554 418 L N 1.444 122.572 121.223 -0.158 0.000 2.688 418 L HA 0.238 4.577 4.340 -0.001 0.000 0.234 418 L C 2.420 179.303 176.870 0.021 0.000 1.192 418 L CA 0.706 55.427 54.840 -0.197 0.000 0.984 418 L CB -0.105 41.589 42.059 -0.608 0.000 1.232 418 L HN 0.671 nan 8.230 nan 0.000 0.465 419 K N 1.394 121.814 120.400 0.033 0.000 2.063 419 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 419 K C 2.018 178.668 176.600 0.083 0.000 1.048 419 K CA 1.656 57.992 56.287 0.082 0.000 0.928 419 K CB -0.121 32.400 32.500 0.036 0.000 0.713 419 K HN 0.363 nan 8.250 nan 0.000 0.442 420 G N 1.378 110.200 108.800 0.036 0.000 2.418 420 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 420 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 420 G C 1.401 176.343 174.900 0.069 0.000 1.158 420 G CA 0.748 45.868 45.100 0.034 0.000 0.771 420 G HN 0.305 nan 8.290 nan 0.000 0.545 421 L N 0.428 121.701 121.223 0.083 0.000 2.046 421 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 421 L C 2.825 179.876 176.870 0.301 0.000 1.077 421 L CA 2.479 57.411 54.840 0.154 0.000 0.747 421 L CB -0.580 41.525 42.059 0.076 0.000 0.896 421 L HN 0.419 nan 8.230 nan 0.000 0.432 422 Q N -0.490 119.543 119.800 0.389 0.000 2.084 422 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 422 Q C 2.271 178.340 176.000 0.115 0.000 0.978 422 Q CA 2.223 58.156 55.803 0.217 0.000 0.844 422 Q CB -0.227 28.618 28.738 0.179 0.000 0.898 422 Q HN 0.651 nan 8.270 nan 0.000 0.426 423 I N 0.290 120.927 120.570 0.112 0.000 2.208 423 I HA -0.341 3.828 4.170 -0.001 0.000 0.245 423 I C 2.746 178.915 176.117 0.087 0.000 1.097 423 I CA 0.873 62.222 61.300 0.082 0.000 1.363 423 I CB -0.469 37.569 38.000 0.063 0.000 1.051 423 I HN 0.482 nan 8.210 nan 0.000 0.413 424 C N 1.293 120.650 119.300 0.094 0.000 2.429 424 C HA -0.086 4.373 4.460 -0.001 0.000 0.277 424 C C 2.999 178.065 174.990 0.127 0.000 1.262 424 C CA 1.216 60.291 59.018 0.094 0.000 1.733 424 C CB -1.573 26.216 27.740 0.081 0.000 2.010 424 C HN 0.633 nan 8.230 nan 0.000 0.483 425 G N 0.052 108.929 108.800 0.128 0.000 2.418 425 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 425 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 425 G C 1.438 176.497 174.900 0.266 0.000 1.158 425 G CA 1.074 46.286 45.100 0.187 0.000 0.771 425 G HN 0.785 nan 8.290 nan 0.000 0.545 426 N N 0.465 119.257 118.700 0.154 0.000 2.443 426 N HA -0.098 4.642 4.740 -0.001 0.000 0.184 426 N C 2.288 177.863 175.510 0.108 0.000 1.037 426 N CA 1.110 54.232 53.050 0.120 0.000 0.896 426 N CB 0.014 38.547 38.487 0.077 0.000 0.959 426 N HN 0.482 nan 8.380 nan 0.000 0.442 427 S N -0.168 115.602 115.700 0.116 0.000 2.486 427 S HA 0.141 4.610 4.470 -0.001 0.000 0.220 427 S C 1.685 176.352 174.600 0.111 0.000 1.011 427 S CA 0.031 58.286 58.200 0.091 0.000 0.921 427 S CB -0.023 63.223 63.200 0.076 0.000 0.785 427 S HN 0.207 nan 8.310 nan 0.000 0.517 428 I N 0.961 121.634 120.570 0.172 0.000 2.494 428 I HA 0.006 4.176 4.170 -0.001 0.000 0.250 428 I C 2.789 178.987 176.117 0.134 0.000 1.112 428 I CA 0.773 62.193 61.300 0.201 0.000 1.438 428 I CB -0.291 37.908 38.000 0.333 0.000 1.111 428 I HN 0.295 nan 8.210 nan 0.000 0.431 429 M N 1.969 121.615 119.600 0.076 0.000 2.082 429 M HA -0.157 4.323 4.480 -0.001 0.000 0.258 429 M C -0.787 175.505 176.300 -0.013 0.000 1.069 429 M CA 2.624 57.859 55.300 -0.109 0.000 1.102 429 M CB -1.683 30.836 32.600 -0.135 0.000 1.336 429 M HN -0.029 nan 8.290 nan 0.000 0.404 430 P HA -0.124 nan 4.420 nan 0.000 0.218 430 P C 1.682 179.036 177.300 0.091 0.000 1.149 430 P CA 0.889 64.022 63.100 0.055 0.000 0.817 430 P CB -0.315 31.413 31.700 0.047 0.000 0.785 431 L N -1.063 120.215 121.223 0.093 0.000 2.093 431 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 431 L C 2.030 179.061 176.870 0.269 0.000 1.085 431 L CA 1.688 56.607 54.840 0.133 0.000 0.755 431 L CB -1.214 40.928 42.059 0.138 0.000 0.904 431 L HN -0.109 nan 8.230 nan 0.000 0.435 432 L N -0.914 120.426 121.223 0.195 0.000 2.093 432 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 432 L C 2.468 179.420 176.870 0.137 0.000 1.085 432 L CA 1.590 56.536 54.840 0.177 0.000 0.755 432 L CB -0.978 41.086 42.059 0.009 0.000 0.904 432 L HN 0.490 nan 8.230 nan 0.000 0.435 433 T N -3.088 111.522 114.554 0.094 0.000 2.904 433 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 433 T C 1.715 176.475 174.700 0.101 0.000 1.059 433 T CA 0.655 62.798 62.100 0.072 0.000 1.137 433 T CB -0.601 68.299 68.868 0.052 0.000 0.879 433 T HN 0.242 nan 8.240 nan 0.000 0.467 434 F N 1.301 121.239 119.950 -0.019 0.000 2.134 434 F HA -0.031 4.495 4.527 -0.002 0.000 0.299 434 F C 1.912 177.641 175.800 -0.117 0.000 1.097 434 F CA 0.947 58.889 58.000 -0.098 0.000 1.264 434 F CB -0.448 38.438 39.000 -0.191 0.000 1.001 434 F HN 0.075 nan 8.300 nan 0.000 0.479 435 Y N 0.475 120.858 120.300 0.139 0.000 2.497 435 Y HA 0.058 4.608 4.550 0.001 0.000 0.292 435 Y C 2.546 178.421 175.900 -0.041 0.000 1.137 435 Y CA 0.897 59.022 58.100 0.040 0.000 1.285 435 Y CB -1.097 37.433 38.460 0.115 0.000 0.991 435 Y HN 0.143 nan 8.280 nan 0.000 0.556 436 G N -0.312 108.544 108.800 0.094 0.000 2.625 436 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.214 436 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.214 436 G C 0.794 175.713 174.900 0.031 0.000 1.132 436 G CA -0.051 45.100 45.100 0.086 0.000 0.782 436 G HN 0.185 nan 8.290 nan 0.000 0.538 437 N N 0.673 119.315 118.700 -0.097 0.000 2.371 437 N HA 0.151 4.891 4.740 -0.001 0.000 0.243 437 N C 0.543 175.994 175.510 -0.100 0.000 1.287 437 N CA 0.448 53.407 53.050 -0.152 0.000 0.911 437 N CB 1.000 39.294 38.487 -0.322 0.000 1.142 437 N HN 0.296 nan 8.380 nan 0.000 0.451 438 S N -0.391 115.248 115.700 -0.101 0.000 2.690 438 S HA 0.532 5.002 4.470 -0.001 0.000 0.291 438 S C 0.727 175.292 174.600 -0.059 0.000 1.138 438 S CA -0.743 57.411 58.200 -0.077 0.000 1.013 438 S CB 1.689 64.836 63.200 -0.088 0.000 1.053 438 S HN 0.642 nan 8.310 nan 0.000 0.539 439 I N -0.368 120.183 120.570 -0.032 0.000 4.592 439 I HA 0.276 4.446 4.170 -0.001 0.000 0.329 439 I C 2.028 178.162 176.117 0.028 0.000 1.309 439 I CA 0.168 61.467 61.300 -0.002 0.000 1.243 439 I CB -0.135 37.877 38.000 0.020 0.000 1.241 439 I HN 0.825 nan 8.210 nan 0.000 0.434 440 A N 1.245 124.073 122.820 0.012 0.000 1.940 440 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 440 A C 1.834 179.519 177.584 0.169 0.000 1.176 440 A CA 2.067 54.133 52.037 0.049 0.000 0.631 440 A CB -0.636 18.345 19.000 -0.032 0.000 0.814 440 A HN 0.668 nan 8.150 nan 0.000 0.446 441 D N -0.623 119.833 120.400 0.094 0.000 2.348 441 D HA -0.120 4.519 4.640 -0.001 0.000 0.216 441 D C 1.255 177.555 176.300 0.000 0.000 0.970 441 D CA 0.519 54.572 54.000 0.088 0.000 0.889 441 D CB -0.389 40.413 40.800 0.003 0.000 0.912 441 D HN 0.476 nan 8.370 nan 0.000 0.524 442 R N 0.506 121.019 120.500 0.022 0.000 2.480 442 R HA 0.172 4.512 4.340 -0.001 0.000 0.277 442 R C -0.021 176.269 176.300 -0.017 0.000 1.008 442 R CA -0.510 55.564 56.100 -0.043 0.000 1.090 442 R CB -0.313 29.974 30.300 -0.022 0.000 1.234 442 R HN 0.204 nan 8.270 nan 0.000 0.549 443 F N 1.215 121.144 119.950 -0.035 0.000 2.518 443 F HA 0.333 4.861 4.527 0.002 0.000 0.359 443 F C -2.025 173.734 175.800 -0.068 0.000 1.118 443 F CA -3.228 54.743 58.000 -0.048 0.000 1.287 443 F CB -0.234 38.740 39.000 -0.043 0.000 1.132 443 F HN -0.130 nan 8.300 nan 0.000 0.587 444 P HA 0.102 nan 4.420 nan 0.000 0.282 444 P C 0.380 177.581 177.300 -0.165 0.000 1.274 444 P CA -0.320 62.651 63.100 -0.216 0.000 0.770 444 P CB 1.339 32.791 31.700 -0.414 0.000 0.867 445 T N -1.331 113.159 114.554 -0.107 0.000 3.118 445 T HA -0.093 4.256 4.350 -0.001 0.000 0.260 445 T C 1.241 175.970 174.700 0.047 0.000 1.139 445 T CA 0.644 62.783 62.100 0.066 0.000 1.085 445 T CB -0.834 68.090 68.868 0.094 0.000 0.934 445 T HN 0.570 nan 8.240 nan 0.000 0.518 446 H N 0.158 119.189 119.070 -0.065 0.000 2.529 446 H HA 0.637 5.193 4.556 -0.001 0.000 0.277 446 H C 0.673 175.680 175.328 -0.535 0.000 1.004 446 H CA -0.307 55.468 56.048 -0.455 0.000 1.167 446 H CB -0.660 28.796 29.762 -0.509 0.000 1.445 446 H HN 0.438 nan 8.280 nan 0.000 0.554 447 A N 1.992 124.534 122.820 -0.464 0.000 2.540 447 A HA -0.005 4.315 4.320 -0.001 0.000 0.239 447 A C 0.789 178.274 177.584 -0.165 0.000 1.061 447 A CA 0.250 52.115 52.037 -0.287 0.000 0.758 447 A CB -0.058 18.833 19.000 -0.180 0.000 0.991 447 A HN 0.613 nan 8.150 nan 0.000 0.502 448 E N 1.506 121.638 120.200 -0.115 0.000 2.369 448 E HA -0.241 4.109 4.350 -0.001 0.000 0.165 448 E C -0.005 176.584 176.600 -0.018 0.000 1.622 448 E CA 1.095 57.467 56.400 -0.046 0.000 0.660 448 E CB -1.227 28.463 29.700 -0.016 0.000 1.085 448 E HN 0.952 nan 8.360 nan 0.000 0.346 449 Q N -0.103 119.677 119.800 -0.033 0.000 2.461 449 Q HA -0.268 4.071 4.340 -0.001 0.000 0.264 449 Q C -0.098 176.083 176.000 0.301 0.000 1.085 449 Q CA 1.058 56.930 55.803 0.115 0.000 1.006 449 Q CB -1.508 27.299 28.738 0.116 0.000 1.437 449 Q HN 0.717 nan 8.270 nan 0.000 0.514 450 F N -3.897 116.090 119.950 0.063 0.000 2.914 450 F HA -0.370 4.156 4.527 -0.002 0.000 0.304 450 F C 1.131 176.963 175.800 0.054 0.000 0.712 450 F CA 1.060 59.099 58.000 0.066 0.000 1.211 450 F CB -1.720 37.321 39.000 0.067 0.000 1.515 450 F HN 0.297 nan 8.300 nan 0.000 0.350 451 N N 0.444 119.243 118.700 0.166 0.000 2.250 451 N HA -0.053 4.687 4.740 -0.001 0.000 0.181 451 N C 0.721 176.290 175.510 0.100 0.000 1.017 451 N CA 1.034 54.157 53.050 0.122 0.000 0.866 451 N CB -0.082 38.457 38.487 0.086 0.000 0.985 451 N HN 0.560 nan 8.380 nan 0.000 0.429 452 Q N 1.894 121.733 119.800 0.065 0.000 3.091 452 Q HA 0.126 4.465 4.340 -0.001 0.000 0.301 452 Q C 0.123 176.161 176.000 0.063 0.000 1.337 452 Q CA -0.386 55.448 55.803 0.051 0.000 1.083 452 Q CB -0.027 28.716 28.738 0.009 0.000 1.477 452 Q HN 0.334 nan 8.270 nan 0.000 0.537 453 N N 1.065 119.832 118.700 0.111 0.000 2.550 453 N HA -0.067 4.673 4.740 -0.001 0.000 0.186 453 N C 0.452 176.098 175.510 0.225 0.000 1.110 453 N CA 0.487 53.637 53.050 0.168 0.000 0.912 453 N CB -0.090 38.511 38.487 0.189 0.000 0.968 453 N HN 0.504 nan 8.380 nan 0.000 0.448 454 I N -3.215 117.395 120.570 0.067 0.000 2.722 454 I HA 0.609 4.779 4.170 -0.001 0.000 0.295 454 I C -1.697 174.246 176.117 -0.289 0.000 1.161 454 I CA -1.209 59.949 61.300 -0.236 0.000 1.032 454 I CB 2.325 40.160 38.000 -0.274 0.000 1.244 454 I HN -0.022 nan 8.210 nan 0.000 0.421 455 N N 1.659 120.029 118.700 -0.550 0.000 2.708 455 N HA 0.402 5.142 4.740 -0.001 0.000 0.257 455 N C -0.220 175.082 175.510 -0.348 0.000 1.373 455 N CA -0.357 52.536 53.050 -0.261 0.000 0.843 455 N CB 1.725 40.165 38.487 -0.079 0.000 1.503 455 N HN 0.587 nan 8.380 nan 0.000 0.504 456 S N -1.513 114.094 115.700 -0.154 0.000 2.517 456 S HA -0.017 4.452 4.470 -0.001 0.000 0.214 456 S C 0.253 174.839 174.600 -0.022 0.000 0.991 456 S CA -0.016 58.115 58.200 -0.115 0.000 0.906 456 S CB -0.421 62.740 63.200 -0.066 0.000 0.789 456 S HN 0.542 nan 8.310 nan 0.000 0.513 457 Q N -0.042 119.773 119.800 0.026 0.000 2.450 457 Q HA -0.185 4.155 4.340 -0.001 0.000 0.255 457 Q C 1.094 177.143 176.000 0.082 0.000 1.003 457 Q CA 0.872 56.719 55.803 0.075 0.000 1.097 457 Q CB -2.330 26.458 28.738 0.084 0.000 1.544 457 Q HN 0.748 nan 8.270 nan 0.000 0.531 458 G N -0.493 108.352 108.800 0.076 0.000 2.450 458 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.220 458 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.220 458 G C 0.965 175.939 174.900 0.124 0.000 1.130 458 G CA 0.999 46.146 45.100 0.078 0.000 0.760 458 G HN 0.498 nan 8.290 nan 0.000 0.557 459 Y N 2.292 122.615 120.300 0.038 0.000 2.133 459 Y HA -0.169 4.380 4.550 -0.001 0.000 0.287 459 Y C 3.267 179.204 175.900 0.061 0.000 1.134 459 Y CA 2.439 60.568 58.100 0.048 0.000 1.133 459 Y CB -0.437 38.058 38.460 0.058 0.000 0.987 459 Y HN 0.276 nan 8.280 nan 0.000 0.502 460 T N -3.370 111.310 114.554 0.210 0.000 2.904 460 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 460 T C 2.182 176.915 174.700 0.056 0.000 1.059 460 T CA 1.226 63.409 62.100 0.138 0.000 1.137 460 T CB -0.843 68.141 68.868 0.194 0.000 0.879 460 T HN 0.283 nan 8.240 nan 0.000 0.467 461 S N 1.346 117.075 115.700 0.049 0.000 2.368 461 S HA 0.015 4.484 4.470 -0.001 0.000 0.225 461 S C 2.434 177.025 174.600 -0.014 0.000 1.030 461 S CA 1.218 59.430 58.200 0.019 0.000 0.999 461 S CB -0.887 62.317 63.200 0.006 0.000 0.844 461 S HN 0.736 nan 8.310 nan 0.000 0.459 462 A N 0.775 123.568 122.820 -0.045 0.000 1.898 462 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 462 A C 2.424 179.939 177.584 -0.114 0.000 1.181 462 A CA 2.247 54.236 52.037 -0.080 0.000 0.620 462 A CB -1.534 17.402 19.000 -0.107 0.000 0.819 462 A HN 0.746 nan 8.150 nan 0.000 0.442 463 T N -1.453 113.002 114.554 -0.164 0.000 2.821 463 T HA -0.056 4.294 4.350 -0.001 0.000 0.267 463 T C 1.835 176.490 174.700 -0.075 0.000 1.046 463 T CA 1.380 63.392 62.100 -0.147 0.000 1.139 463 T CB -0.545 68.227 68.868 -0.159 0.000 0.871 463 T HN 0.267 nan 8.240 nan 0.000 0.454 464 L N 0.959 122.167 121.223 -0.026 0.000 2.046 464 L HA 0.027 4.367 4.340 -0.001 0.000 0.208 464 L C 3.319 180.134 176.870 -0.092 0.000 1.077 464 L CA 1.228 56.060 54.840 -0.015 0.000 0.747 464 L CB -0.731 41.383 42.059 0.091 0.000 0.896 464 L HN 0.397 nan 8.230 nan 0.000 0.432 465 A N 0.040 122.828 122.820 -0.054 0.000 1.972 465 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 465 A C 2.307 179.856 177.584 -0.059 0.000 1.169 465 A CA 1.777 53.785 52.037 -0.048 0.000 0.635 465 A CB -0.447 18.541 19.000 -0.019 0.000 0.810 465 A HN 0.309 nan 8.150 nan 0.000 0.446 466 R N 0.102 120.561 120.500 -0.068 0.000 2.092 466 R HA -0.092 4.248 4.340 -0.001 0.000 0.231 466 R C 2.068 178.320 176.300 -0.080 0.000 1.119 466 R CA 1.880 57.947 56.100 -0.055 0.000 0.970 466 R CB -0.629 29.632 30.300 -0.065 0.000 0.864 466 R HN 0.388 nan 8.270 nan 0.000 0.440 467 R N 0.131 120.540 120.500 -0.151 0.000 2.073 467 R HA 0.077 4.417 4.340 -0.001 0.000 0.234 467 R C 2.077 178.222 176.300 -0.258 0.000 1.134 467 R CA 2.208 58.168 56.100 -0.233 0.000 0.952 467 R CB -0.828 29.237 30.300 -0.392 0.000 0.850 467 R HN 0.268 nan 8.270 nan 0.000 0.433 468 S N -0.430 115.097 115.700 -0.288 0.000 2.359 468 S HA -0.127 4.343 4.470 -0.001 0.000 0.224 468 S C 1.943 176.554 174.600 0.019 0.000 1.035 468 S CA 1.473 59.583 58.200 -0.149 0.000 1.018 468 S CB -0.375 62.772 63.200 -0.089 0.000 0.876 468 S HN 0.165 nan 8.310 nan 0.000 0.448 469 V N 2.258 122.196 119.914 0.039 0.000 2.295 469 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 469 V C 2.083 178.263 176.094 0.143 0.000 1.049 469 V CA 1.904 64.286 62.300 0.138 0.000 1.024 469 V CB -0.768 31.115 31.823 0.101 0.000 0.648 469 V HN 0.358 nan 8.190 nan 0.000 0.447 470 D N -0.010 120.430 120.400 0.067 0.000 2.123 470 D HA -0.130 4.510 4.640 -0.001 0.000 0.196 470 D C 2.029 178.385 176.300 0.093 0.000 0.992 470 D CA 1.375 55.411 54.000 0.060 0.000 0.833 470 D CB -0.227 40.584 40.800 0.018 0.000 0.954 470 D HN 0.401 nan 8.370 nan 0.000 0.455 471 I N -0.103 120.527 120.570 0.101 0.000 2.252 471 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 471 I C 2.086 178.364 176.117 0.270 0.000 1.102 471 I CA 0.511 61.904 61.300 0.155 0.000 1.385 471 I CB -0.134 37.948 38.000 0.138 0.000 1.064 471 I HN -0.082 nan 8.210 nan 0.000 0.414 472 F N 1.856 121.862 119.950 0.094 0.000 2.293 472 F HA -0.191 4.336 4.527 0.000 0.000 0.300 472 F C 2.471 178.361 175.800 0.150 0.000 1.086 472 F CA 1.458 59.541 58.000 0.139 0.000 1.375 472 F CB -0.475 38.581 39.000 0.093 0.000 1.045 472 F HN 0.112 nan 8.300 nan 0.000 0.516 473 Q N -0.245 119.611 119.800 0.094 0.000 2.124 473 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 473 Q C 1.952 177.941 176.000 -0.018 0.000 0.977 473 Q CA 1.805 57.591 55.803 -0.030 0.000 0.850 473 Q CB -0.434 28.315 28.738 0.018 0.000 0.901 473 Q HN 0.578 nan 8.270 nan 0.000 0.429 474 N N -0.423 118.313 118.700 0.060 0.000 2.142 474 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 474 N C 1.633 177.173 175.510 0.049 0.000 1.023 474 N CA 0.735 53.821 53.050 0.059 0.000 0.852 474 N CB -0.100 38.444 38.487 0.096 0.000 0.998 474 N HN 0.193 nan 8.380 nan 0.000 0.424 475 Y N 1.840 122.160 120.300 0.034 0.000 2.145 475 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 475 Y C 2.143 178.012 175.900 -0.051 0.000 1.145 475 Y CA 1.149 59.280 58.100 0.050 0.000 1.148 475 Y CB -0.379 38.195 38.460 0.189 0.000 0.981 475 Y HN -0.185 nan 8.280 nan 0.000 0.507 476 V N 0.331 120.138 119.914 -0.178 0.000 2.490 476 V HA -0.319 3.801 4.120 -0.001 0.000 0.250 476 V C 2.615 178.585 176.094 -0.207 0.000 1.061 476 V CA 1.572 63.705 62.300 -0.279 0.000 1.064 476 V CB -1.531 30.032 31.823 -0.433 0.000 0.670 476 V HN 0.573 nan 8.190 nan 0.000 0.461 477 A N 0.076 122.807 122.820 -0.149 0.000 1.902 477 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 477 A C 2.183 179.724 177.584 -0.072 0.000 1.181 477 A CA 1.936 53.921 52.037 -0.087 0.000 0.623 477 A CB -0.494 18.480 19.000 -0.043 0.000 0.818 477 A HN 0.511 nan 8.150 nan 0.000 0.443 478 I N -0.395 120.101 120.570 -0.123 0.000 2.202 478 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 478 I C 2.980 179.081 176.117 -0.027 0.000 1.091 478 I CA 1.017 62.274 61.300 -0.072 0.000 1.368 478 I CB -0.368 37.527 38.000 -0.175 0.000 1.058 478 I HN 0.358 nan 8.210 nan 0.000 0.410 479 A N 0.895 123.579 122.820 -0.226 0.000 1.933 479 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 479 A C 2.308 179.890 177.584 -0.004 0.000 1.175 479 A CA 1.416 53.370 52.037 -0.138 0.000 0.628 479 A CB -0.827 18.044 19.000 -0.215 0.000 0.814 479 A HN 0.377 nan 8.150 nan 0.000 0.444 480 L N -1.382 119.816 121.223 -0.040 0.000 2.046 480 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 480 L C 2.864 179.748 176.870 0.024 0.000 1.077 480 L CA 1.623 56.449 54.840 -0.023 0.000 0.747 480 L CB -0.426 41.594 42.059 -0.064 0.000 0.896 480 L HN 0.423 nan 8.230 nan 0.000 0.432 481 M N -1.612 118.026 119.600 0.062 0.000 2.117 481 M HA -0.227 4.252 4.480 -0.001 0.000 0.262 481 M C 2.165 178.551 176.300 0.142 0.000 1.065 481 M CA 1.908 57.292 55.300 0.141 0.000 1.114 481 M CB -0.359 32.350 32.600 0.181 0.000 1.361 481 M HN 0.069 nan 8.290 nan 0.000 0.408 482 F N 0.077 120.064 119.950 0.061 0.000 2.146 482 F HA -0.068 4.459 4.527 0.000 0.000 0.298 482 F C 2.509 178.356 175.800 0.078 0.000 1.096 482 F CA 1.677 59.715 58.000 0.063 0.000 1.275 482 F CB -0.880 38.130 39.000 0.016 0.000 1.008 482 F HN 0.147 nan 8.300 nan 0.000 0.480 483 G N -0.593 108.348 108.800 0.235 0.000 2.422 483 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.218 483 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.218 483 G C 1.763 176.765 174.900 0.171 0.000 1.146 483 G CA 1.129 46.328 45.100 0.165 0.000 0.769 483 G HN 0.244 nan 8.290 nan 0.000 0.547 484 V N 0.609 120.613 119.914 0.150 0.000 2.270 484 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 484 V C 2.757 179.006 176.094 0.258 0.000 1.043 484 V CA 2.285 64.694 62.300 0.182 0.000 1.014 484 V CB -0.450 31.310 31.823 -0.106 0.000 0.645 484 V HN 0.469 nan 8.190 nan 0.000 0.447 485 Q N 0.797 120.756 119.800 0.265 0.000 2.084 485 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 485 Q C 2.069 178.189 176.000 0.200 0.000 0.978 485 Q CA 2.334 58.292 55.803 0.258 0.000 0.844 485 Q CB -0.610 28.204 28.738 0.127 0.000 0.898 485 Q HN 0.577 nan 8.270 nan 0.000 0.426 486 A N -0.064 122.866 122.820 0.185 0.000 1.902 486 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 486 A C 2.191 179.875 177.584 0.166 0.000 1.181 486 A CA 1.976 54.120 52.037 0.178 0.000 0.623 486 A CB -1.101 18.015 19.000 0.193 0.000 0.818 486 A HN 0.546 nan 8.150 nan 0.000 0.443 487 V N -2.349 117.662 119.914 0.161 0.000 2.667 487 V HA -0.129 3.990 4.120 -0.001 0.000 0.252 487 V C 1.657 177.823 176.094 0.121 0.000 1.065 487 V CA 2.122 64.486 62.300 0.107 0.000 1.083 487 V CB -0.790 31.059 31.823 0.043 0.000 0.692 487 V HN 0.327 nan 8.190 nan 0.000 0.468 488 D N 1.064 121.594 120.400 0.216 0.000 2.117 488 D HA -0.019 4.621 4.640 -0.001 0.000 0.198 488 D C 2.146 178.650 176.300 0.340 0.000 0.982 488 D CA 1.570 55.744 54.000 0.289 0.000 0.828 488 D CB -0.203 40.813 40.800 0.359 0.000 0.967 488 D HN 0.446 nan 8.370 nan 0.000 0.464 489 L N 0.216 121.623 121.223 0.306 0.000 2.201 489 L HA -0.077 4.263 4.340 -0.001 0.000 0.212 489 L C 2.422 179.432 176.870 0.233 0.000 1.105 489 L CA 0.576 55.608 54.840 0.320 0.000 0.775 489 L CB -0.208 41.996 42.059 0.242 0.000 0.913 489 L HN -0.046 nan 8.230 nan 0.000 0.440 490 R N 0.341 120.933 120.500 0.153 0.000 2.073 490 R HA -0.084 4.256 4.340 -0.001 0.000 0.229 490 R C 2.162 178.479 176.300 0.027 0.000 1.120 490 R CA 1.888 58.041 56.100 0.088 0.000 0.967 490 R CB -0.869 29.473 30.300 0.069 0.000 0.862 490 R HN 0.100 nan 8.270 nan 0.000 0.436 491 T N 0.314 114.874 114.554 0.009 0.000 2.720 491 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 491 T C 1.318 175.897 174.700 -0.202 0.000 1.037 491 T CA 1.674 63.711 62.100 -0.106 0.000 1.144 491 T CB -0.564 68.233 68.868 -0.118 0.000 0.864 491 T HN 0.350 nan 8.240 nan 0.000 0.444 492 Y N 1.942 122.087 120.300 -0.258 0.000 2.181 492 Y HA -0.105 4.445 4.550 -0.001 0.000 0.288 492 Y C 2.431 178.191 175.900 -0.235 0.000 1.146 492 Y CA 1.540 59.397 58.100 -0.405 0.000 1.164 492 Y CB -0.206 37.912 38.460 -0.570 0.000 0.982 492 Y HN 0.023 nan 8.280 nan 0.000 0.515 493 K N 0.320 120.641 120.400 -0.132 0.000 2.209 493 K HA -0.203 4.117 4.320 -0.001 0.000 0.204 493 K C 2.253 178.735 176.600 -0.197 0.000 1.048 493 K CA 1.529 57.725 56.287 -0.152 0.000 0.940 493 K CB -0.113 32.394 32.500 0.012 0.000 0.729 493 K HN 0.311 nan 8.250 nan 0.000 0.451 494 K N -0.490 119.802 120.400 -0.181 0.000 2.202 494 K HA -0.041 4.278 4.320 -0.001 0.000 0.201 494 K C 1.463 177.949 176.600 -0.190 0.000 1.051 494 K CA 1.569 57.765 56.287 -0.151 0.000 0.977 494 K CB 0.343 32.780 32.500 -0.104 0.000 0.792 494 K HN 0.235 nan 8.250 nan 0.000 0.469 495 T N -4.710 109.676 114.554 -0.280 0.000 2.975 495 T HA 0.271 4.621 4.350 -0.001 0.000 0.257 495 T C 1.163 175.701 174.700 -0.270 0.000 1.003 495 T CA 0.539 62.492 62.100 -0.246 0.000 0.932 495 T CB 0.975 69.691 68.868 -0.252 0.000 1.087 495 T HN 0.310 nan 8.240 nan 0.000 0.512 496 G N 1.855 110.358 108.800 -0.495 0.000 2.195 496 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.246 496 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.246 496 G C -0.045 174.721 174.900 -0.223 0.000 0.984 496 G CA 0.398 45.186 45.100 -0.519 0.000 0.633 496 G HN 1.177 nan 8.290 nan 0.000 0.525 497 H N -2.836 116.139 119.070 -0.159 0.000 2.855 497 H HA 0.737 5.292 4.556 -0.000 0.000 0.363 497 H C 0.167 175.435 175.328 -0.101 0.000 1.185 497 H CA -1.504 54.508 56.048 -0.059 0.000 1.174 497 H CB 0.654 30.416 29.762 -0.001 0.000 1.857 497 H HN 0.022 nan 8.280 nan 0.000 0.565 498 Y N -1.112 119.378 120.300 0.317 0.000 2.571 498 Y HA 0.147 4.696 4.550 -0.001 0.000 0.275 498 Y C 0.273 176.320 175.900 0.245 0.000 1.179 498 Y CA -0.470 57.755 58.100 0.207 0.000 1.242 498 Y CB 0.645 39.178 38.460 0.122 0.000 1.126 498 Y HN 0.620 nan 8.280 nan 0.000 0.524 499 D N 1.029 121.768 120.400 0.565 0.000 2.453 499 D HA 0.229 4.868 4.640 -0.001 0.000 0.223 499 D C 1.125 177.566 176.300 0.235 0.000 1.183 499 D CA 0.113 54.340 54.000 0.377 0.000 0.933 499 D CB 1.048 42.009 40.800 0.268 0.000 1.038 499 D HN 0.327 nan 8.370 nan 0.000 0.513 500 A N 4.548 127.405 122.820 0.062 0.000 2.076 500 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 500 A C 2.039 179.472 177.584 -0.252 0.000 1.160 500 A CA 0.918 52.841 52.037 -0.190 0.000 0.653 500 A CB -0.183 18.525 19.000 -0.488 0.000 0.801 500 A HN 0.574 nan 8.150 nan 0.000 0.455 501 R N -0.521 119.874 120.500 -0.175 0.000 2.249 501 R HA -0.079 4.260 4.340 -0.001 0.000 0.230 501 R C 2.085 178.367 176.300 -0.030 0.000 1.121 501 R CA 0.951 56.993 56.100 -0.097 0.000 0.997 501 R CB -0.366 29.954 30.300 0.033 0.000 0.867 501 R HN 0.519 nan 8.270 nan 0.000 0.465 502 A N -0.421 122.416 122.820 0.029 0.000 2.123 502 A HA -0.045 4.274 4.320 -0.001 0.000 0.214 502 A C 1.792 179.386 177.584 0.018 0.000 1.152 502 A CA 0.671 52.739 52.037 0.052 0.000 0.728 502 A CB 0.089 19.182 19.000 0.154 0.000 0.814 502 A HN 0.391 nan 8.150 nan 0.000 0.464 503 C N -1.446 117.841 119.300 -0.022 0.000 3.270 503 C HA 0.411 4.871 4.460 -0.001 0.000 0.369 503 C C 0.911 175.866 174.990 -0.058 0.000 1.326 503 C CA -0.782 58.213 59.018 -0.038 0.000 1.846 503 C CB -1.062 26.648 27.740 -0.049 0.000 2.534 503 C HN 0.463 nan 8.230 nan 0.000 0.649 504 L N 2.728 123.891 121.223 -0.100 0.000 2.483 504 L HA 0.165 4.505 4.340 -0.001 0.000 0.276 504 L C 0.863 177.694 176.870 -0.064 0.000 1.213 504 L CA 0.289 55.066 54.840 -0.105 0.000 0.843 504 L CB 0.448 42.395 42.059 -0.187 0.000 1.107 504 L HN 0.374 nan 8.230 nan 0.000 0.487 505 S N 1.572 117.242 115.700 -0.049 0.000 2.572 505 S HA 0.122 4.592 4.470 -0.001 0.000 0.279 505 S C -1.874 172.704 174.600 -0.036 0.000 1.341 505 S CA -1.120 57.058 58.200 -0.037 0.000 1.043 505 S CB 0.898 64.076 63.200 -0.037 0.000 0.887 505 S HN 0.420 nan 8.310 nan 0.000 0.516 506 P HA -0.122 nan 4.420 nan 0.000 0.216 506 P C 1.603 178.892 177.300 -0.019 0.000 1.150 506 P CA 1.911 64.998 63.100 -0.022 0.000 0.843 506 P CB -0.179 31.509 31.700 -0.020 0.000 0.787 507 A N -0.451 122.352 122.820 -0.028 0.000 1.877 507 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 507 A C 2.221 179.795 177.584 -0.018 0.000 1.186 507 A CA 2.658 54.677 52.037 -0.029 0.000 0.620 507 A CB -1.947 17.023 19.000 -0.049 0.000 0.822 507 A HN 0.349 nan 8.150 nan 0.000 0.443 508 T N -2.882 111.661 114.554 -0.018 0.000 3.067 508 T HA -0.018 4.332 4.350 -0.001 0.000 0.261 508 T C 1.629 176.350 174.700 0.035 0.000 1.110 508 T CA 1.103 63.205 62.100 0.003 0.000 1.113 508 T CB -0.047 68.816 68.868 -0.007 0.000 0.917 508 T HN 0.441 nan 8.240 nan 0.000 0.499 509 E N 2.011 122.218 120.200 0.012 0.000 2.110 509 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 509 E C 2.286 178.951 176.600 0.108 0.000 0.988 509 E CA 0.845 57.270 56.400 0.042 0.000 0.804 509 E CB -0.156 29.545 29.700 0.001 0.000 0.745 509 E HN 0.569 nan 8.360 nan 0.000 0.458 510 R N 0.074 120.606 120.500 0.052 0.000 2.073 510 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 510 R C 2.594 178.917 176.300 0.039 0.000 1.134 510 R CA 1.395 57.517 56.100 0.035 0.000 0.952 510 R CB -0.544 29.760 30.300 0.007 0.000 0.850 510 R HN 0.155 nan 8.270 nan 0.000 0.433 511 L N 0.296 121.543 121.223 0.041 0.000 2.017 511 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 511 L C 2.199 179.092 176.870 0.038 0.000 1.073 511 L CA 1.702 56.556 54.840 0.024 0.000 0.745 511 L CB -0.904 41.167 42.059 0.020 0.000 0.894 511 L HN 0.141 nan 8.230 nan 0.000 0.432 512 Y N -0.012 120.259 120.300 -0.047 0.000 2.069 512 Y HA -0.335 4.215 4.550 -0.001 0.000 0.278 512 Y C 2.577 178.436 175.900 -0.067 0.000 1.175 512 Y CA 2.372 60.437 58.100 -0.057 0.000 1.134 512 Y CB -0.621 37.819 38.460 -0.032 0.000 0.965 512 Y HN 0.279 nan 8.280 nan 0.000 0.498 513 S N 0.316 116.042 115.700 0.044 0.000 2.402 513 S HA -0.128 4.341 4.470 -0.001 0.000 0.229 513 S C 2.225 176.771 174.600 -0.091 0.000 1.021 513 S CA 0.818 58.981 58.200 -0.062 0.000 0.974 513 S CB -0.727 62.513 63.200 0.067 0.000 0.800 513 S HN 0.666 nan 8.310 nan 0.000 0.484 514 A N 1.212 123.996 122.820 -0.061 0.000 1.902 514 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 514 A C 2.316 179.858 177.584 -0.069 0.000 1.181 514 A CA 1.469 53.476 52.037 -0.049 0.000 0.623 514 A CB -0.862 18.111 19.000 -0.045 0.000 0.818 514 A HN 0.344 nan 8.150 nan 0.000 0.443 515 V N 0.231 120.055 119.914 -0.150 0.000 2.295 515 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 515 V C 2.683 178.593 176.094 -0.308 0.000 1.049 515 V CA 1.962 64.130 62.300 -0.220 0.000 1.024 515 V CB -0.792 30.867 31.823 -0.273 0.000 0.648 515 V HN 0.450 nan 8.190 nan 0.000 0.447 516 R N -0.412 119.851 120.500 -0.395 0.000 2.120 516 R HA -0.180 4.159 4.340 -0.001 0.000 0.234 516 R C 2.180 178.339 176.300 -0.236 0.000 1.123 516 R CA 1.828 57.684 56.100 -0.406 0.000 0.975 516 R CB -0.975 29.045 30.300 -0.467 0.000 0.866 516 R HN 0.743 nan 8.270 nan 0.000 0.446 517 H N 0.559 119.502 119.070 -0.212 0.000 2.299 517 H HA -0.021 4.535 4.556 -0.001 0.000 0.302 517 H C 1.945 177.189 175.328 -0.140 0.000 1.078 517 H CA 1.807 57.770 56.048 -0.142 0.000 1.323 517 H CB -0.047 29.651 29.762 -0.106 0.000 1.381 517 H HN -0.127 nan 8.280 nan 0.000 0.498 518 V N 0.794 120.631 119.914 -0.127 0.000 2.287 518 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 518 V C 2.663 178.617 176.094 -0.232 0.000 1.053 518 V CA 1.833 64.043 62.300 -0.151 0.000 1.027 518 V CB -0.767 31.007 31.823 -0.082 0.000 0.646 518 V HN 0.644 nan 8.190 nan 0.000 0.447 519 V N -1.410 118.326 119.914 -0.297 0.000 3.217 519 V HA 0.400 4.520 4.120 -0.001 0.000 0.264 519 V C 1.619 177.508 176.094 -0.342 0.000 1.135 519 V CA 1.010 63.059 62.300 -0.418 0.000 1.142 519 V CB -0.701 30.719 31.823 -0.672 0.000 0.754 519 V HN 0.869 nan 8.190 nan 0.000 0.484 520 G N -0.373 108.257 108.800 -0.284 0.000 2.137 520 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.237 520 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.237 520 G C 0.063 174.882 174.900 -0.135 0.000 1.002 520 G CA 0.398 45.369 45.100 -0.214 0.000 0.702 520 G HN 0.654 nan 8.290 nan 0.000 0.515 521 Q N 0.623 120.342 119.800 -0.134 0.000 2.425 521 Q HA 0.316 4.656 4.340 -0.001 0.000 0.254 521 Q C 0.171 176.128 176.000 -0.072 0.000 1.032 521 Q CA -0.305 55.470 55.803 -0.046 0.000 0.798 521 Q CB 0.523 29.309 28.738 0.080 0.000 1.210 521 Q HN 0.515 nan 8.270 nan 0.000 0.491 522 K N 4.675 125.046 120.400 -0.048 0.000 2.379 522 K HA 0.206 4.526 4.320 -0.001 0.000 0.284 522 K C -2.084 174.512 176.600 -0.006 0.000 1.044 522 K CA -1.300 54.968 56.287 -0.033 0.000 0.974 522 K CB 0.421 32.911 32.500 -0.016 0.000 0.962 522 K HN 0.380 nan 8.250 nan 0.000 0.474 523 P HA -0.010 nan 4.420 nan 0.000 0.266 523 P C -0.727 176.627 177.300 0.090 0.000 1.195 523 P CA 0.039 63.195 63.100 0.093 0.000 0.768 523 P CB 0.842 32.664 31.700 0.204 0.000 0.838 524 T N 0.619 115.235 114.554 0.104 0.000 2.894 524 T HA 0.203 4.553 4.350 -0.001 0.000 0.309 524 T C 1.242 176.029 174.700 0.143 0.000 1.208 524 T CA -0.290 61.855 62.100 0.076 0.000 1.016 524 T CB 1.391 70.266 68.868 0.011 0.000 1.192 524 T HN 0.379 nan 8.240 nan 0.000 0.491 525 S N 0.587 116.357 115.700 0.116 0.000 2.453 525 S HA -0.093 4.377 4.470 -0.001 0.000 0.231 525 S C 1.033 175.782 174.600 0.249 0.000 1.005 525 S CA 0.970 59.289 58.200 0.198 0.000 0.949 525 S CB -0.200 62.996 63.200 -0.006 0.000 0.774 525 S HN 0.692 nan 8.310 nan 0.000 0.510 526 D N 1.253 121.721 120.400 0.114 0.000 2.162 526 D HA 0.073 4.713 4.640 -0.001 0.000 0.203 526 D C 0.612 176.852 176.300 -0.101 0.000 0.967 526 D CA 0.810 54.832 54.000 0.038 0.000 0.840 526 D CB 0.156 40.915 40.800 -0.067 0.000 0.972 526 D HN 0.310 nan 8.370 nan 0.000 0.482 527 R N 0.334 120.713 120.500 -0.202 0.000 2.725 527 R HA 0.401 4.741 4.340 -0.001 0.000 0.277 527 R C -2.586 173.479 176.300 -0.391 0.000 0.987 527 R CA -1.683 54.049 56.100 -0.614 0.000 0.901 527 R CB 2.359 32.254 30.300 -0.675 0.000 1.207 527 R HN -0.018 nan 8.270 nan 0.000 0.463 528 P HA 0.076 nan 4.420 nan 0.000 0.281 528 P C 0.427 177.739 177.300 0.020 0.000 1.281 528 P CA -0.465 62.526 63.100 -0.182 0.000 0.811 528 P CB 0.716 32.240 31.700 -0.293 0.000 1.154 529 Y N 1.158 121.451 120.300 -0.012 0.000 2.062 529 Y HA -0.159 4.391 4.550 -0.001 0.000 0.276 529 Y C 0.733 176.634 175.900 0.001 0.000 1.189 529 Y CA 1.597 59.687 58.100 -0.016 0.000 1.130 529 Y CB -0.466 37.985 38.460 -0.015 0.000 0.959 529 Y HN 0.076 nan 8.280 nan 0.000 0.499 530 I N 0.295 120.751 120.570 -0.191 0.000 2.382 530 I HA -0.027 4.143 4.170 -0.001 0.000 0.286 530 I C 0.667 176.763 176.117 -0.034 0.000 1.002 530 I CA -0.890 60.247 61.300 -0.272 0.000 1.135 530 I CB 0.420 38.156 38.000 -0.439 0.000 1.288 530 I HN 0.543 nan 8.210 nan 0.000 0.448 531 W N 6.272 127.431 121.300 -0.235 0.000 3.008 531 W HA 0.168 4.828 4.660 -0.000 0.000 0.273 531 W C 0.001 176.416 176.519 -0.172 0.000 1.012 531 W CA 0.250 57.466 57.345 -0.215 0.000 1.885 531 W CB 0.677 30.025 29.460 -0.186 0.000 1.150 531 W HN 0.363 nan 8.180 nan 0.000 0.564 532 N N 1.572 120.222 118.700 -0.083 0.000 2.370 532 N HA 0.067 4.807 4.740 -0.001 0.000 0.303 532 N C 0.099 175.523 175.510 -0.144 0.000 1.103 532 N CA -0.183 52.745 53.050 -0.203 0.000 0.848 532 N CB 1.585 39.989 38.487 -0.139 0.000 1.235 532 N HN -0.016 nan 8.380 nan 0.000 0.496 533 D N 0.160 120.465 120.400 -0.158 0.000 2.178 533 D HA -0.143 4.497 4.640 -0.001 0.000 0.201 533 D C 1.060 177.291 176.300 -0.115 0.000 0.980 533 D CA 1.283 55.199 54.000 -0.140 0.000 0.842 533 D CB -0.032 40.693 40.800 -0.126 0.000 0.948 533 D HN 0.590 nan 8.370 nan 0.000 0.472 534 N N 0.526 119.171 118.700 -0.093 0.000 2.362 534 N HA -0.056 4.683 4.740 -0.001 0.000 0.204 534 N C 0.642 176.117 175.510 -0.058 0.000 1.166 534 N CA 0.152 53.159 53.050 -0.072 0.000 0.831 534 N CB -0.108 38.345 38.487 -0.057 0.000 1.008 534 N HN 0.203 nan 8.380 nan 0.000 0.472 535 E N -0.380 119.783 120.200 -0.061 0.000 2.472 535 E HA 0.038 4.388 4.350 -0.001 0.000 0.196 535 E C 0.021 176.589 176.600 -0.054 0.000 1.033 535 E CA 0.154 56.533 56.400 -0.036 0.000 0.886 535 E CB 0.241 29.943 29.700 0.002 0.000 0.944 535 E HN 0.522 nan 8.360 nan 0.000 0.492 536 Q N -0.725 119.010 119.800 -0.109 0.000 2.522 536 Q HA 0.376 4.715 4.340 -0.001 0.000 0.285 536 Q C -0.688 175.180 176.000 -0.220 0.000 0.982 536 Q CA -0.968 54.735 55.803 -0.166 0.000 0.805 536 Q CB 0.779 29.364 28.738 -0.254 0.000 1.457 536 Q HN 0.022 nan 8.270 nan 0.000 0.394 537 G N 1.662 110.318 108.800 -0.239 0.000 2.428 537 G HA2 0.455 4.415 3.960 -0.001 0.000 0.320 537 G HA3 0.455 4.415 3.960 -0.001 0.000 0.320 537 G C 0.539 175.247 174.900 -0.319 0.000 1.098 537 G CA -0.608 44.372 45.100 -0.200 0.000 0.984 537 G HN 0.555 nan 8.290 nan 0.000 0.444 538 L N 1.808 122.853 121.223 -0.297 0.000 2.187 538 L HA -0.103 4.237 4.340 -0.001 0.000 0.213 538 L C 2.533 179.328 176.870 -0.124 0.000 1.100 538 L CA 1.204 55.871 54.840 -0.288 0.000 0.765 538 L CB -0.110 41.834 42.059 -0.191 0.000 0.904 538 L HN 0.614 nan 8.230 nan 0.000 0.437 539 D N -0.473 119.877 120.400 -0.083 0.000 2.144 539 D HA -0.222 4.418 4.640 -0.001 0.000 0.199 539 D C 1.746 178.054 176.300 0.013 0.000 0.984 539 D CA 1.057 55.045 54.000 -0.020 0.000 0.834 539 D CB -0.360 40.430 40.800 -0.017 0.000 0.955 539 D HN 0.277 nan 8.370 nan 0.000 0.465 540 E N 0.280 120.484 120.200 0.007 0.000 2.110 540 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 540 E C 2.195 178.903 176.600 0.180 0.000 0.988 540 E CA 0.848 57.295 56.400 0.078 0.000 0.804 540 E CB -0.412 29.341 29.700 0.089 0.000 0.745 540 E HN 0.676 nan 8.360 nan 0.000 0.458 541 H N 0.162 119.237 119.070 0.009 0.000 2.357 541 H HA -0.004 4.552 4.556 -0.001 0.000 0.301 541 H C 2.408 177.745 175.328 0.016 0.000 1.082 541 H CA 0.675 56.739 56.048 0.028 0.000 1.342 541 H CB 0.092 29.903 29.762 0.082 0.000 1.389 541 H HN 0.080 nan 8.280 nan 0.000 0.511 542 I N 1.007 121.664 120.570 0.145 0.000 2.163 542 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 542 I C 2.888 179.035 176.117 0.049 0.000 1.085 542 I CA 0.985 62.329 61.300 0.073 0.000 1.347 542 I CB -0.336 37.693 38.000 0.049 0.000 1.044 542 I HN 0.264 nan 8.210 nan 0.000 0.408 543 A N 0.810 123.661 122.820 0.052 0.000 1.908 543 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 543 A C 2.399 179.998 177.584 0.026 0.000 1.181 543 A CA 1.652 53.711 52.037 0.036 0.000 0.627 543 A CB -0.581 18.440 19.000 0.035 0.000 0.818 543 A HN 0.341 nan 8.150 nan 0.000 0.445 544 R N -0.697 119.821 120.500 0.030 0.000 2.066 544 R HA 0.014 4.354 4.340 -0.001 0.000 0.232 544 R C 2.047 178.339 176.300 -0.014 0.000 1.131 544 R CA 1.509 57.610 56.100 0.001 0.000 0.955 544 R CB -0.463 29.825 30.300 -0.020 0.000 0.851 544 R HN 0.562 nan 8.270 nan 0.000 0.432 545 I N 0.526 121.087 120.570 -0.016 0.000 2.179 545 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 545 I C 2.179 178.282 176.117 -0.023 0.000 1.088 545 I CA 1.319 62.600 61.300 -0.032 0.000 1.357 545 I CB -0.264 37.713 38.000 -0.038 0.000 1.051 545 I HN 0.102 nan 8.210 nan 0.000 0.409 546 S N 0.931 116.625 115.700 -0.011 0.000 2.370 546 S HA -0.233 4.236 4.470 -0.001 0.000 0.226 546 S C 2.250 176.850 174.600 0.001 0.000 1.033 546 S CA 1.461 59.657 58.200 -0.007 0.000 1.011 546 S CB -0.513 62.693 63.200 0.009 0.000 0.852 546 S HN 0.566 nan 8.310 nan 0.000 0.457 547 A N 1.302 124.125 122.820 0.005 0.000 1.933 547 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 547 A C 1.888 179.477 177.584 0.008 0.000 1.175 547 A CA 1.922 53.965 52.037 0.009 0.000 0.628 547 A CB -0.780 18.226 19.000 0.009 0.000 0.814 547 A HN 0.538 nan 8.150 nan 0.000 0.444 548 D N -0.558 119.843 120.400 0.000 0.000 2.149 548 D HA -0.069 4.571 4.640 -0.001 0.000 0.201 548 D C 1.754 178.056 176.300 0.002 0.000 0.972 548 D CA 1.084 55.085 54.000 0.002 0.000 0.835 548 D CB -0.131 40.666 40.800 -0.005 0.000 0.966 548 D HN 0.486 nan 8.370 nan 0.000 0.476 549 I N 0.484 121.049 120.570 -0.008 0.000 2.202 549 I HA -0.213 3.957 4.170 -0.001 0.000 0.242 549 I C 2.472 178.596 176.117 0.012 0.000 1.091 549 I CA 1.016 62.309 61.300 -0.012 0.000 1.368 549 I CB -0.338 37.642 38.000 -0.033 0.000 1.058 549 I HN 0.060 nan 8.210 nan 0.000 0.410 550 A N 0.643 123.475 122.820 0.020 0.000 1.940 550 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 550 A C 2.350 179.967 177.584 0.055 0.000 1.176 550 A CA 1.885 53.947 52.037 0.042 0.000 0.631 550 A CB -0.667 18.354 19.000 0.034 0.000 0.814 550 A HN 0.455 nan 8.150 nan 0.000 0.446 551 A N -1.765 121.079 122.820 0.041 0.000 2.251 551 A HA 0.424 4.743 4.320 -0.001 0.000 0.209 551 A C 1.664 179.280 177.584 0.053 0.000 1.187 551 A CA 1.097 53.160 52.037 0.044 0.000 0.823 551 A CB -0.924 18.094 19.000 0.030 0.000 0.846 551 A HN 1.928 nan 8.150 nan 0.000 0.486 552 G N -0.953 107.879 108.800 0.054 0.000 2.225 552 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.264 552 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.264 552 G C 0.711 175.630 174.900 0.031 0.000 1.060 552 G CA 0.546 45.678 45.100 0.054 0.000 0.833 552 G HN 1.187 nan 8.290 nan 0.000 0.498 553 G N -1.027 107.784 108.800 0.018 0.000 2.485 553 G HA2 0.552 4.512 3.960 -0.001 0.000 0.260 553 G HA3 0.552 4.512 3.960 -0.001 0.000 0.260 553 G C 1.658 176.556 174.900 -0.004 0.000 1.459 553 G CA 1.265 46.371 45.100 0.011 0.000 1.060 553 G HN 1.366 nan 8.290 nan 0.000 0.546 554 V N -1.313 118.594 119.914 -0.012 0.000 2.380 554 V HA -0.192 3.928 4.120 -0.001 0.000 0.251 554 V C 2.624 178.699 176.094 -0.031 0.000 1.063 554 V CA 1.959 64.238 62.300 -0.036 0.000 1.055 554 V CB -0.876 30.906 31.823 -0.068 0.000 0.657 554 V HN 0.550 nan 8.190 nan 0.000 0.455 555 I N 0.054 120.609 120.570 -0.025 0.000 2.286 555 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 555 I C 2.537 178.637 176.117 -0.029 0.000 1.115 555 I CA 1.557 62.838 61.300 -0.033 0.000 1.392 555 I CB -0.320 37.656 38.000 -0.041 0.000 1.065 555 I HN 0.228 nan 8.210 nan 0.000 0.418 556 V N 0.369 120.269 119.914 -0.024 0.000 2.379 556 V HA -0.250 3.869 4.120 -0.001 0.000 0.245 556 V C 2.365 178.449 176.094 -0.018 0.000 1.044 556 V CA 1.618 63.903 62.300 -0.024 0.000 1.036 556 V CB -0.686 31.126 31.823 -0.019 0.000 0.664 556 V HN 0.465 nan 8.190 nan 0.000 0.453 557 Q N 0.187 119.979 119.800 -0.014 0.000 2.124 557 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 557 Q C 2.392 178.383 176.000 -0.015 0.000 0.977 557 Q CA 1.649 57.445 55.803 -0.012 0.000 0.850 557 Q CB -0.445 28.283 28.738 -0.017 0.000 0.901 557 Q HN 0.661 nan 8.270 nan 0.000 0.429 558 A N 0.930 123.739 122.820 -0.020 0.000 2.024 558 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 558 A C 2.005 179.582 177.584 -0.012 0.000 1.164 558 A CA 1.611 53.638 52.037 -0.017 0.000 0.643 558 A CB -0.313 18.676 19.000 -0.018 0.000 0.806 558 A HN 0.321 nan 8.150 nan 0.000 0.451 559 V N -4.004 115.903 119.914 -0.010 0.000 3.319 559 V HA 0.153 4.272 4.120 -0.001 0.000 0.317 559 V C 1.273 177.370 176.094 0.005 0.000 1.411 559 V CA 0.355 62.653 62.300 -0.004 0.000 1.112 559 V CB -0.530 31.293 31.823 -0.000 0.000 1.031 559 V HN 0.467 nan 8.190 nan 0.000 0.448 560 Q N 0.782 120.583 119.800 0.001 0.000 2.268 560 Q HA -0.231 4.108 4.340 -0.001 0.000 0.210 560 Q C 1.441 177.454 176.000 0.021 0.000 0.988 560 Q CA 2.137 57.945 55.803 0.009 0.000 0.883 560 Q CB -0.076 28.667 28.738 0.007 0.000 0.911 560 Q HN 0.709 nan 8.270 nan 0.000 0.430 561 D N -0.166 120.243 120.400 0.016 0.000 2.323 561 D HA -0.013 4.627 4.640 -0.001 0.000 0.209 561 D C 1.437 177.761 176.300 0.041 0.000 0.973 561 D CA 0.637 54.649 54.000 0.020 0.000 0.874 561 D CB 0.210 41.008 40.800 -0.003 0.000 0.930 561 D HN 0.337 nan 8.370 nan 0.000 0.521 562 I N 0.628 121.230 120.570 0.052 0.000 3.578 562 I HA -0.007 4.163 4.170 -0.001 0.000 0.295 562 I C 1.138 177.407 176.117 0.252 0.000 1.280 562 I CA 0.110 61.476 61.300 0.109 0.000 1.347 562 I CB 0.152 38.196 38.000 0.073 0.000 1.051 562 I HN -0.166 nan 8.210 nan 0.000 0.460 563 L N 0.000 121.313 121.223 0.150 0.000 2.949 563 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 563 L CA 0.000 54.911 54.840 0.118 0.000 0.813 563 L CB 0.000 42.082 42.059 0.038 0.000 0.961 563 L HN 0.000 nan 8.230 nan 0.000 0.502