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 3kdy_1_B DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIYGVTTGYG AMIYMQVDKS KEVELQTNLV RSHSAGVGPL FAEDEARAIV DATA SEQUENCE AARLNTLAKG HSAVRPIILE RLAQYLNEGI TPAIPEIGSL GXXXDLAPLS DATA SEQUENCE HVASTLIGEG YVLRDGRPVE TAQVLAERGI EPLELRFKEG LALINGTSGM DATA SEQUENCE TGLGSLVVGR ALEQAQQAEI VTALLIEAVR GSTSPFLAEG HDIARPHEGQ DATA SEQUENCE IDTAANMRAL MRGSGLTVEH ADLRRELQKD KEAGKDVQRS EIYLQKAYSL DATA SEQUENCE RAIPQVVGAV RDTLYHARHK LRIELNSAND NPLFFEGKEI FHGANFHGQP DATA SEQUENCE IAFAMDFVTI ALTQLGVLAE RQINRVLNRH LSYGLPEFLV SGDPGLHSGF DATA SEQUENCE AGAQYPATAL VAENRTIGPA STQSVPSNGD NQDVVSMGLI SARNARRVLS DATA SEQUENCE NNNKILAVEY LAAAQAVDIS GRFDGLSPAA KATYEAVRRL VPTLGVDRYM DATA SEQUENCE ADDIELVADA LSRGEFLRAI ARETDIQLR 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 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.097 176.094 0.005 0.000 1.182 11 V CA 0.000 62.302 62.300 0.004 0.000 1.235 11 V CB 0.000 31.825 31.823 0.004 0.000 1.184 12 P HA 0.564 nan 4.420 nan 0.000 0.298 12 P C -0.494 176.808 177.300 0.004 0.000 1.314 12 P CA -0.251 62.852 63.100 0.004 0.000 0.854 12 P CB 2.178 33.881 31.700 0.004 0.000 1.019 13 V N 1.911 121.827 119.914 0.004 0.000 2.673 13 V HA 0.045 4.142 4.120 -0.039 0.000 0.303 13 V C 1.058 177.153 176.094 0.001 0.000 1.046 13 V CA 0.422 62.724 62.300 0.003 0.000 1.126 13 V CB 0.837 32.662 31.823 0.004 0.000 0.934 13 V HN 0.762 nan 8.190 nan 0.000 0.487 14 S N 4.370 120.070 115.700 0.000 0.000 2.423 14 S HA 0.357 4.804 4.470 -0.039 0.000 0.317 14 S C -0.287 174.310 174.600 -0.005 0.000 1.065 14 S CA -0.771 57.428 58.200 -0.003 0.000 1.111 14 S CB 0.775 63.973 63.200 -0.003 0.000 0.968 14 S HN 0.877 nan 8.310 nan 0.000 0.474 15 V N 3.329 123.238 119.914 -0.008 0.000 2.221 15 V HA 0.466 4.562 4.120 -0.039 0.000 0.258 15 V C 0.291 176.375 176.094 -0.016 0.000 1.179 15 V CA -0.579 61.714 62.300 -0.011 0.000 1.022 15 V CB 0.068 31.884 31.823 -0.012 0.000 1.228 15 V HN 0.798 nan 8.190 nan 0.000 0.487 16 D N 2.528 122.919 120.400 -0.016 0.000 2.349 16 D HA 0.228 4.844 4.640 -0.039 0.000 0.214 16 D C 1.541 177.824 176.300 -0.029 0.000 1.063 16 D CA 0.493 54.480 54.000 -0.022 0.000 0.847 16 D CB 0.216 41.006 40.800 -0.018 0.000 0.933 16 D HN 1.152 nan 8.370 nan 0.000 0.513 17 G N 0.332 109.119 108.800 -0.022 0.000 2.147 17 G HA2 -0.280 3.657 3.960 -0.039 0.000 0.244 17 G HA3 -0.280 3.657 3.960 -0.039 0.000 0.244 17 G C 0.576 175.469 174.900 -0.010 0.000 1.005 17 G CA 0.489 45.577 45.100 -0.020 0.000 0.713 17 G HN 0.423 nan 8.290 nan 0.000 0.515 18 E N -1.976 118.221 120.200 -0.006 0.000 2.641 18 E HA 0.017 4.343 4.350 -0.039 0.000 0.201 18 E C 1.861 178.465 176.600 0.006 0.000 0.921 18 E CA 1.050 57.451 56.400 0.002 0.000 1.551 18 E CB -0.034 29.665 29.700 -0.002 0.000 1.640 18 E HN 0.774 nan 8.360 nan 0.000 0.906 19 T N -1.090 113.466 114.554 0.003 0.000 2.959 19 T HA 0.189 4.515 4.350 -0.039 0.000 0.254 19 T C 0.781 175.486 174.700 0.008 0.000 1.003 19 T CA -0.343 61.761 62.100 0.006 0.000 0.950 19 T CB 0.107 68.977 68.868 0.003 0.000 1.090 19 T HN -0.059 nan 8.240 nan 0.000 0.503 20 L N 4.680 125.906 121.223 0.005 0.000 2.628 20 L HA 0.307 4.623 4.340 -0.039 0.000 0.292 20 L C 0.453 177.330 176.870 0.012 0.000 1.250 20 L CA 0.922 55.766 54.840 0.006 0.000 0.892 20 L CB 0.215 42.275 42.059 0.003 0.000 1.138 20 L HN 0.621 nan 8.230 nan 0.000 0.502 21 T N 1.034 115.596 114.554 0.014 0.000 2.940 21 T HA 0.525 4.852 4.350 -0.039 0.000 0.288 21 T C 1.159 175.871 174.700 0.020 0.000 1.045 21 T CA -0.384 61.728 62.100 0.020 0.000 1.018 21 T CB 1.144 70.024 68.868 0.020 0.000 1.151 21 T HN 0.286 nan 8.240 nan 0.000 0.529 22 V N 0.962 120.893 119.914 0.028 0.000 2.295 22 V HA -0.128 3.968 4.120 -0.039 0.000 0.246 22 V C 2.882 178.993 176.094 0.027 0.000 1.049 22 V CA 2.093 64.410 62.300 0.029 0.000 1.024 22 V CB -1.032 30.817 31.823 0.042 0.000 0.648 22 V HN 1.056 nan 8.190 nan 0.000 0.447 23 E N 1.331 121.549 120.200 0.030 0.000 2.118 23 E HA -0.267 4.059 4.350 -0.039 0.000 0.195 23 E C 2.142 178.754 176.600 0.021 0.000 0.992 23 E CA 1.896 58.312 56.400 0.028 0.000 0.804 23 E CB -0.179 29.538 29.700 0.028 0.000 0.741 23 E HN 0.538 nan 8.360 nan 0.000 0.458 24 A N 0.828 123.658 122.820 0.017 0.000 1.930 24 A HA -0.074 4.222 4.320 -0.039 0.000 0.217 24 A C 2.510 180.101 177.584 0.011 0.000 1.175 24 A CA 1.318 53.362 52.037 0.013 0.000 0.627 24 A CB -0.523 18.483 19.000 0.010 0.000 0.815 24 A HN 0.202 nan 8.150 nan 0.000 0.443 25 V N -0.038 119.883 119.914 0.011 0.000 2.407 25 V HA -0.261 3.835 4.120 -0.039 0.000 0.248 25 V C 2.592 178.691 176.094 0.008 0.000 1.055 25 V CA 2.174 64.478 62.300 0.006 0.000 1.049 25 V CB -0.845 30.980 31.823 0.003 0.000 0.662 25 V HN 0.514 nan 8.190 nan 0.000 0.455 26 R N -0.286 120.221 120.500 0.013 0.000 2.073 26 R HA -0.123 4.193 4.340 -0.039 0.000 0.234 26 R C 2.601 178.909 176.300 0.014 0.000 1.134 26 R CA 1.583 57.692 56.100 0.016 0.000 0.952 26 R CB -0.349 29.964 30.300 0.022 0.000 0.850 26 R HN 0.391 nan 8.270 nan 0.000 0.433 27 R N 0.085 120.594 120.500 0.014 0.000 2.096 27 R HA -0.163 4.153 4.340 -0.039 0.000 0.240 27 R C 2.277 178.583 176.300 0.011 0.000 1.139 27 R CA 1.783 57.890 56.100 0.013 0.000 0.952 27 R CB -0.482 29.826 30.300 0.012 0.000 0.854 27 R HN 0.067 nan 8.270 nan 0.000 0.436 28 V N 0.403 120.324 119.914 0.010 0.000 2.295 28 V HA -0.260 3.836 4.120 -0.039 0.000 0.246 28 V C 2.314 178.415 176.094 0.012 0.000 1.049 28 V CA 2.018 64.324 62.300 0.011 0.000 1.024 28 V CB -0.675 31.153 31.823 0.009 0.000 0.648 28 V HN 0.499 nan 8.190 nan 0.000 0.447 29 A N -0.435 122.390 122.820 0.010 0.000 1.855 29 A HA -0.194 4.103 4.320 -0.039 0.000 0.215 29 A C 2.143 179.735 177.584 0.014 0.000 1.191 29 A CA 1.911 53.953 52.037 0.010 0.000 0.613 29 A CB -0.357 18.646 19.000 0.004 0.000 0.829 29 A HN 0.635 nan 8.150 nan 0.000 0.442 30 E N -0.754 119.454 120.200 0.014 0.000 2.034 30 E HA -0.060 4.267 4.350 -0.039 0.000 0.192 30 E C 1.993 178.600 176.600 0.013 0.000 0.963 30 E CA 0.757 57.166 56.400 0.015 0.000 0.831 30 E CB -0.222 29.488 29.700 0.016 0.000 0.801 30 E HN 0.599 nan 8.360 nan 0.000 0.463 31 E N 0.346 120.553 120.200 0.012 0.000 2.331 31 E HA -0.107 4.219 4.350 -0.039 0.000 0.199 31 E C 0.166 176.772 176.600 0.010 0.000 1.008 31 E CA 0.443 56.849 56.400 0.010 0.000 0.843 31 E CB 0.108 29.814 29.700 0.009 0.000 0.761 31 E HN 0.129 nan 8.360 nan 0.000 0.507 32 R N -2.498 118.009 120.500 0.011 0.000 3.854 32 R HA -0.149 4.168 4.340 -0.039 0.000 0.430 32 R C -0.175 176.132 176.300 0.012 0.000 1.068 32 R CA 0.350 56.458 56.100 0.012 0.000 1.104 32 R CB -2.449 27.857 30.300 0.011 0.000 1.729 32 R HN 0.213 nan 8.270 nan 0.000 0.533 33 A N 1.411 124.237 122.820 0.011 0.000 2.616 33 A HA 0.086 4.383 4.320 -0.039 0.000 0.234 33 A C 0.786 178.377 177.584 0.011 0.000 1.024 33 A CA 1.079 53.121 52.037 0.010 0.000 0.758 33 A CB 0.132 19.137 19.000 0.009 0.000 0.939 33 A HN 0.214 nan 8.150 nan 0.000 0.510 34 T N 1.586 116.147 114.554 0.010 0.000 2.926 34 T HA 0.355 4.681 4.350 -0.039 0.000 0.307 34 T C 0.036 174.742 174.700 0.009 0.000 1.059 34 T CA 0.061 62.167 62.100 0.011 0.000 1.122 34 T CB 0.871 69.745 68.868 0.010 0.000 0.972 34 T HN 0.696 nan 8.240 nan 0.000 0.545 35 V N 2.683 122.603 119.914 0.010 0.000 2.495 35 V HA 0.502 4.598 4.120 -0.039 0.000 0.298 35 V C -0.860 175.236 176.094 0.003 0.000 1.031 35 V CA -0.711 61.592 62.300 0.006 0.000 0.871 35 V CB 1.968 33.795 31.823 0.006 0.000 0.988 35 V HN 1.018 nan 8.190 nan 0.000 0.432 36 D N 4.373 124.773 120.400 -0.000 0.000 2.649 36 D HA 0.493 5.110 4.640 -0.039 0.000 0.249 36 D C -0.993 175.303 176.300 -0.007 0.000 1.112 36 D CA -0.408 53.590 54.000 -0.002 0.000 0.850 36 D CB 2.273 43.073 40.800 -0.001 0.000 1.399 36 D HN 0.339 nan 8.370 nan 0.000 0.503 37 V N 5.746 125.654 119.914 -0.010 0.000 2.339 37 V HA 0.348 4.444 4.120 -0.039 0.000 0.261 37 V C -1.741 174.345 176.094 -0.013 0.000 1.058 37 V CA -1.395 60.896 62.300 -0.014 0.000 0.897 37 V CB 0.298 32.109 31.823 -0.019 0.000 1.052 37 V HN 0.616 nan 8.190 nan 0.000 0.480 38 P HA -0.099 nan 4.420 nan 0.000 0.265 38 P C 0.869 178.162 177.300 -0.011 0.000 1.167 38 P CA 0.487 63.581 63.100 -0.010 0.000 0.760 38 P CB 0.873 32.566 31.700 -0.012 0.000 0.783 39 A N 3.796 126.611 122.820 -0.008 0.000 2.070 39 A HA -0.206 4.091 4.320 -0.039 0.000 0.220 39 A C 1.955 179.534 177.584 -0.008 0.000 1.159 39 A CA 1.490 53.523 52.037 -0.007 0.000 0.656 39 A CB -0.826 18.172 19.000 -0.004 0.000 0.800 39 A HN 0.703 nan 8.150 nan 0.000 0.453 40 E N -0.215 119.979 120.200 -0.009 0.000 2.106 40 E HA -0.116 4.210 4.350 -0.039 0.000 0.192 40 E C 2.008 178.598 176.600 -0.017 0.000 0.984 40 E CA 1.377 57.771 56.400 -0.010 0.000 0.806 40 E CB -0.458 29.236 29.700 -0.010 0.000 0.750 40 E HN 0.484 nan 8.360 nan 0.000 0.458 41 S N 1.148 116.834 115.700 -0.022 0.000 2.355 41 S HA -0.057 4.389 4.470 -0.039 0.000 0.222 41 S C 2.029 176.612 174.600 -0.029 0.000 1.031 41 S CA 0.648 58.829 58.200 -0.033 0.000 0.993 41 S CB -0.111 63.068 63.200 -0.035 0.000 0.859 41 S HN 0.201 nan 8.310 nan 0.000 0.453 42 I N 2.055 122.613 120.570 -0.020 0.000 2.335 42 I HA -0.189 3.957 4.170 -0.039 0.000 0.251 42 I C 2.582 178.694 176.117 -0.008 0.000 1.129 42 I CA 1.168 62.459 61.300 -0.015 0.000 1.402 42 I CB -1.624 36.369 38.000 -0.012 0.000 1.069 42 I HN 0.222 nan 8.210 nan 0.000 0.424 43 A N 1.144 123.961 122.820 -0.005 0.000 1.855 43 A HA -0.250 4.047 4.320 -0.039 0.000 0.215 43 A C 2.442 180.031 177.584 0.008 0.000 1.191 43 A CA 1.897 53.936 52.037 0.003 0.000 0.613 43 A CB -0.623 18.379 19.000 0.003 0.000 0.829 43 A HN 0.402 nan 8.150 nan 0.000 0.442 44 K N -0.198 120.199 120.400 -0.004 0.000 2.152 44 K HA -0.113 4.184 4.320 -0.039 0.000 0.206 44 K C 1.934 178.537 176.600 0.005 0.000 1.048 44 K CA 1.436 57.719 56.287 -0.006 0.000 0.933 44 K CB -0.301 32.172 32.500 -0.043 0.000 0.721 44 K HN 0.374 nan 8.250 nan 0.000 0.447 45 A N 0.776 123.592 122.820 -0.006 0.000 1.843 45 A HA -0.161 4.135 4.320 -0.039 0.000 0.213 45 A C 2.124 179.722 177.584 0.024 0.000 1.202 45 A CA 1.356 53.393 52.037 -0.000 0.000 0.607 45 A CB -0.809 18.180 19.000 -0.019 0.000 0.847 45 A HN 0.456 nan 8.150 nan 0.000 0.445 46 Q N 0.441 120.252 119.800 0.019 0.000 2.112 46 Q HA -0.235 4.081 4.340 -0.039 0.000 0.206 46 Q C 1.994 178.021 176.000 0.045 0.000 0.987 46 Q CA 2.632 58.452 55.803 0.027 0.000 0.858 46 Q CB -0.340 28.409 28.738 0.019 0.000 0.905 46 Q HN 0.670 nan 8.270 nan 0.000 0.420 47 K N -0.569 119.863 120.400 0.053 0.000 2.001 47 K HA -0.137 4.159 4.320 -0.039 0.000 0.208 47 K C 2.124 178.795 176.600 0.118 0.000 1.048 47 K CA 1.680 58.011 56.287 0.075 0.000 0.932 47 K CB -0.378 32.166 32.500 0.072 0.000 0.715 47 K HN 0.380 nan 8.250 nan 0.000 0.437 48 S N 0.419 116.210 115.700 0.151 0.000 2.419 48 S HA -0.154 4.292 4.470 -0.039 0.000 0.233 48 S C 1.994 176.666 174.600 0.120 0.000 1.016 48 S CA 1.065 59.425 58.200 0.267 0.000 0.974 48 S CB -0.274 63.109 63.200 0.306 0.000 0.786 48 S HN 0.306 nan 8.310 nan 0.000 0.492 49 R N 1.770 122.320 120.500 0.083 0.000 2.189 49 R HA 0.115 4.432 4.340 -0.039 0.000 0.223 49 R C 2.074 178.426 176.300 0.087 0.000 1.092 49 R CA 1.674 57.825 56.100 0.086 0.000 0.989 49 R CB -0.637 29.704 30.300 0.068 0.000 0.876 49 R HN 0.740 nan 8.270 nan 0.000 0.457 50 E N -0.401 119.834 120.200 0.059 0.000 2.086 50 E HA -0.021 4.305 4.350 -0.039 0.000 0.190 50 E C 1.737 178.336 176.600 -0.001 0.000 0.975 50 E CA 1.002 57.423 56.400 0.036 0.000 0.813 50 E CB -0.060 29.666 29.700 0.042 0.000 0.768 50 E HN 0.374 nan 8.360 nan 0.000 0.457 51 I N 0.633 121.207 120.570 0.007 0.000 2.179 51 I HA -0.208 3.938 4.170 -0.039 0.000 0.242 51 I C 2.290 178.270 176.117 -0.228 0.000 1.088 51 I CA 1.007 62.288 61.300 -0.031 0.000 1.357 51 I CB -0.370 37.729 38.000 0.165 0.000 1.051 51 I HN 0.210 nan 8.210 nan 0.000 0.409 52 F N 2.002 121.598 119.950 -0.590 0.000 2.134 52 F HA -0.187 4.317 4.527 -0.039 0.000 0.299 52 F C 2.402 178.012 175.800 -0.317 0.000 1.097 52 F CA 1.661 59.280 58.000 -0.635 0.000 1.264 52 F CB -0.350 38.243 39.000 -0.678 0.000 1.001 52 F HN 0.007 nan 8.300 nan 0.000 0.479 53 E N 0.046 120.056 120.200 -0.318 0.000 2.085 53 E HA -0.186 4.140 4.350 -0.039 0.000 0.194 53 E C 2.477 178.890 176.600 -0.312 0.000 0.994 53 E CA 1.059 57.280 56.400 -0.298 0.000 0.801 53 E CB -0.751 28.946 29.700 -0.004 0.000 0.743 53 E HN 0.599 nan 8.360 nan 0.000 0.453 54 G N 0.939 109.609 108.800 -0.217 0.000 2.422 54 G HA2 -0.236 3.700 3.960 -0.039 0.000 0.218 54 G HA3 -0.236 3.700 3.960 -0.039 0.000 0.218 54 G C 1.553 176.321 174.900 -0.219 0.000 1.146 54 G CA 0.589 45.593 45.100 -0.160 0.000 0.769 54 G HN 0.133 nan 8.290 nan 0.000 0.547 55 I N 1.262 121.646 120.570 -0.310 0.000 2.163 55 I HA -0.128 4.019 4.170 -0.039 0.000 0.240 55 I C 3.249 179.127 176.117 -0.398 0.000 1.081 55 I CA 1.079 62.202 61.300 -0.295 0.000 1.353 55 I CB -0.227 37.611 38.000 -0.270 0.000 1.054 55 I HN 0.222 nan 8.210 nan 0.000 0.407 56 A N -0.142 122.258 122.820 -0.700 0.000 2.070 56 A HA -0.167 4.129 4.320 -0.039 0.000 0.220 56 A C 2.040 179.267 177.584 -0.595 0.000 1.159 56 A CA 1.278 52.816 52.037 -0.831 0.000 0.656 56 A CB -0.377 17.712 19.000 -1.520 0.000 0.800 56 A HN 0.293 nan 8.150 nan 0.000 0.453 57 E N 0.208 120.174 120.200 -0.389 0.000 2.515 57 E HA -0.083 4.244 4.350 -0.039 0.000 0.201 57 E C 1.214 177.747 176.600 -0.111 0.000 1.071 57 E CA 0.586 56.896 56.400 -0.149 0.000 0.880 57 E CB -0.120 29.534 29.700 -0.076 0.000 0.828 57 E HN 0.794 nan 8.360 nan 0.000 0.540 58 Q N -0.212 119.497 119.800 -0.151 0.000 2.198 58 Q HA 0.148 4.465 4.340 -0.039 0.000 0.209 58 Q C -0.166 175.779 176.000 -0.092 0.000 0.848 58 Q CA -0.293 55.451 55.803 -0.098 0.000 0.974 58 Q CB 0.451 29.135 28.738 -0.090 0.000 1.115 58 Q HN 0.065 nan 8.270 nan 0.000 0.494 59 N N 0.983 119.612 118.700 -0.118 0.000 2.754 59 N HA -0.174 4.542 4.740 -0.039 0.000 0.248 59 N C -0.677 174.779 175.510 -0.090 0.000 1.093 59 N CA 0.661 53.656 53.050 -0.092 0.000 0.699 59 N CB -1.222 37.238 38.487 -0.044 0.000 1.016 59 N HN 0.388 nan 8.380 nan 0.000 0.552 60 I N 1.137 121.634 120.570 -0.121 0.000 2.581 60 I HA 0.146 4.292 4.170 -0.039 0.000 0.288 60 I C -1.706 174.366 176.117 -0.074 0.000 1.047 60 I CA -1.771 59.477 61.300 -0.087 0.000 1.374 60 I CB 0.781 38.729 38.000 -0.087 0.000 1.423 60 I HN -0.191 nan 8.210 nan 0.000 0.549 61 P HA 0.174 nan 4.420 nan 0.000 0.264 61 P C -1.081 176.231 177.300 0.020 0.000 1.229 61 P CA 0.615 63.704 63.100 -0.018 0.000 0.780 61 P CB -0.046 31.640 31.700 -0.023 0.000 0.808 62 I N 3.771 124.376 120.570 0.058 0.000 2.548 62 I HA 0.221 4.367 4.170 -0.039 0.000 0.287 62 I C -0.190 176.045 176.117 0.197 0.000 1.103 62 I CA -1.318 60.096 61.300 0.190 0.000 1.049 62 I CB 1.475 39.555 38.000 0.134 0.000 1.232 62 I HN 0.207 nan 8.210 nan 0.000 0.429 63 Y N 5.648 126.098 120.300 0.250 0.000 2.805 63 Y HA 0.238 4.764 4.550 -0.040 0.000 0.337 63 Y C 1.467 177.334 175.900 -0.054 0.000 1.252 63 Y CA 1.327 59.462 58.100 0.059 0.000 1.515 63 Y CB 0.649 39.159 38.460 0.084 0.000 1.305 63 Y HN 0.862 nan 8.280 nan 0.000 0.600 64 G N 3.005 111.116 108.800 -1.149 0.000 2.186 64 G HA2 -0.290 3.647 3.960 -0.039 0.000 0.266 64 G HA3 -0.290 3.647 3.960 -0.039 0.000 0.266 64 G C 0.414 175.072 174.900 -0.403 0.000 0.982 64 G CA 0.796 45.247 45.100 -1.082 0.000 0.670 64 G HN 0.818 nan 8.290 nan 0.000 0.533 65 V N -0.933 118.835 119.914 -0.244 0.000 3.159 65 V HA 0.226 4.322 4.120 -0.039 0.000 0.234 65 V C 1.930 177.994 176.094 -0.050 0.000 1.313 65 V CA 2.135 64.415 62.300 -0.034 0.000 1.271 65 V CB 0.781 32.632 31.823 0.046 0.000 1.053 65 V HN 0.827 nan 8.190 nan 0.000 0.476 66 T N -1.825 112.671 114.554 -0.096 0.000 3.209 66 T HA 0.274 4.600 4.350 -0.039 0.000 0.295 66 T C 0.379 175.030 174.700 -0.081 0.000 0.977 66 T CA 0.551 62.608 62.100 -0.070 0.000 0.922 66 T CB 0.253 69.079 68.868 -0.071 0.000 1.152 66 T HN 0.525 nan 8.240 nan 0.000 0.527 67 T N -1.522 112.944 114.554 -0.147 0.000 2.883 67 T HA 0.759 5.085 4.350 -0.039 0.000 0.296 67 T C 0.664 175.190 174.700 -0.290 0.000 1.117 67 T CA -0.326 61.694 62.100 -0.132 0.000 1.006 67 T CB 1.389 70.251 68.868 -0.011 0.000 1.191 67 T HN 0.271 nan 8.240 nan 0.000 0.508 68 G N -0.385 108.287 108.800 -0.213 0.000 2.712 68 G HA2 0.422 4.358 3.960 -0.039 0.000 0.258 68 G HA3 0.422 4.358 3.960 -0.039 0.000 0.258 68 G C -1.184 173.546 174.900 -0.284 0.000 1.241 68 G CA -0.489 44.466 45.100 -0.240 0.000 0.923 68 G HN 0.686 nan 8.290 nan 0.000 0.548 69 Y N -0.285 120.020 120.300 0.008 0.000 2.387 69 Y HA 0.476 5.003 4.550 -0.038 0.000 0.336 69 Y C 1.256 177.251 175.900 0.158 0.000 1.067 69 Y CA 0.518 58.678 58.100 0.100 0.000 1.114 69 Y CB 1.731 40.177 38.460 -0.023 0.000 1.208 69 Y HN 1.138 nan 8.280 nan 0.000 0.458 70 G N 1.646 110.697 108.800 0.418 0.000 2.611 70 G HA2 -0.395 3.542 3.960 -0.039 0.000 0.301 70 G HA3 -0.395 3.542 3.960 -0.039 0.000 0.301 70 G C 1.308 176.257 174.900 0.083 0.000 1.233 70 G CA 0.680 45.888 45.100 0.179 0.000 0.993 70 G HN 1.161 nan 8.290 nan 0.000 0.553 71 A N -0.906 121.955 122.820 0.068 0.000 2.076 71 A HA 0.134 4.431 4.320 -0.039 0.000 0.220 71 A C 2.355 179.910 177.584 -0.048 0.000 1.160 71 A CA 2.454 54.532 52.037 0.067 0.000 0.653 71 A CB -0.293 18.771 19.000 0.107 0.000 0.801 71 A HN 0.743 nan 8.150 nan 0.000 0.455 72 M N -0.576 118.910 119.600 -0.189 0.000 2.652 72 M HA 0.278 4.734 4.480 -0.039 0.000 0.226 72 M C 1.216 177.187 176.300 -0.548 0.000 1.244 72 M CA 0.062 54.971 55.300 -0.650 0.000 0.986 72 M CB -0.150 32.246 32.600 -0.340 0.000 1.666 72 M HN 0.480 nan 8.290 nan 0.000 0.460 73 I N 0.007 120.428 120.570 -0.248 0.000 3.083 73 I HA -0.254 3.892 4.170 -0.039 0.000 0.273 73 I C 1.628 177.712 176.117 -0.055 0.000 1.297 73 I CA 1.140 62.403 61.300 -0.061 0.000 1.452 73 I CB 0.083 38.099 38.000 0.026 0.000 1.078 73 I HN 0.462 nan 8.210 nan 0.000 0.484 74 Y N -1.523 118.803 120.300 0.044 0.000 2.544 74 Y HA 0.236 4.763 4.550 -0.039 0.000 0.286 74 Y C 0.886 176.800 175.900 0.023 0.000 1.141 74 Y CA -0.468 57.649 58.100 0.027 0.000 1.299 74 Y CB -0.480 37.994 38.460 0.023 0.000 1.030 74 Y HN -0.061 nan 8.280 nan 0.000 0.543 75 M N 2.861 122.391 119.600 -0.117 0.000 2.108 75 M HA 0.215 4.671 4.480 -0.039 0.000 0.354 75 M C -0.795 175.493 176.300 -0.019 0.000 1.229 75 M CA -0.372 54.920 55.300 -0.013 0.000 1.081 75 M CB 1.133 33.666 32.600 -0.111 0.000 1.606 75 M HN 0.237 nan 8.290 nan 0.000 0.467 76 Q N 3.209 123.021 119.800 0.021 0.000 2.278 76 Q HA 0.512 4.828 4.340 -0.039 0.000 0.257 76 Q C -0.667 175.330 176.000 -0.004 0.000 0.928 76 Q CA -0.381 55.424 55.803 0.003 0.000 0.932 76 Q CB 1.471 30.219 28.738 0.016 0.000 1.221 76 Q HN 0.453 nan 8.270 nan 0.000 0.434 77 V N 2.016 121.917 119.914 -0.022 0.000 2.398 77 V HA 0.171 4.267 4.120 -0.039 0.000 0.286 77 V C 0.084 176.180 176.094 0.003 0.000 1.026 77 V CA -1.023 61.271 62.300 -0.010 0.000 0.868 77 V CB 1.703 33.513 31.823 -0.022 0.000 0.982 77 V HN 0.670 nan 8.190 nan 0.000 0.443 78 D N 3.054 123.463 120.400 0.015 0.000 2.399 78 D HA 0.101 4.718 4.640 -0.039 0.000 0.241 78 D C 1.321 177.653 176.300 0.053 0.000 1.133 78 D CA -0.194 53.820 54.000 0.023 0.000 0.890 78 D CB 1.123 41.935 40.800 0.020 0.000 1.201 78 D HN 0.703 nan 8.370 nan 0.000 0.432 79 K N 0.577 121.022 120.400 0.075 0.000 2.442 79 K HA -0.152 4.145 4.320 -0.039 0.000 0.199 79 K C 1.449 178.133 176.600 0.140 0.000 1.044 79 K CA 1.343 57.742 56.287 0.186 0.000 0.941 79 K CB -0.233 32.395 32.500 0.213 0.000 0.759 79 K HN 0.274 nan 8.250 nan 0.000 0.472 80 S N 0.644 116.384 115.700 0.066 0.000 2.474 80 S HA -0.035 4.412 4.470 -0.039 0.000 0.235 80 S C 1.061 175.667 174.600 0.010 0.000 0.997 80 S CA 0.392 58.609 58.200 0.028 0.000 0.949 80 S CB -0.071 63.140 63.200 0.017 0.000 0.766 80 S HN 0.217 nan 8.310 nan 0.000 0.517 81 K N 1.441 121.857 120.400 0.027 0.000 2.699 81 K HA 0.265 4.561 4.320 -0.039 0.000 0.210 81 K C 1.244 177.854 176.600 0.017 0.000 1.076 81 K CA -0.076 56.220 56.287 0.014 0.000 1.109 81 K CB 0.177 32.691 32.500 0.022 0.000 0.862 81 K HN 0.611 nan 8.250 nan 0.000 0.470 82 E N 1.158 121.355 120.200 -0.005 0.000 2.086 82 E HA -0.182 4.144 4.350 -0.039 0.000 0.200 82 E C 1.213 177.765 176.600 -0.079 0.000 1.012 82 E CA 1.637 58.008 56.400 -0.048 0.000 0.812 82 E CB 0.248 29.631 29.700 -0.528 0.000 0.743 82 E HN 0.011 nan 8.360 nan 0.000 0.453 83 V N 1.045 120.892 119.914 -0.112 0.000 2.407 83 V HA -0.174 3.923 4.120 -0.039 0.000 0.245 83 V C 2.512 178.588 176.094 -0.030 0.000 1.041 83 V CA 1.975 64.227 62.300 -0.081 0.000 1.040 83 V CB -0.552 31.215 31.823 -0.092 0.000 0.671 83 V HN 0.348 nan 8.190 nan 0.000 0.455 84 E N 0.247 120.438 120.200 -0.016 0.000 2.110 84 E HA -0.258 4.069 4.350 -0.039 0.000 0.193 84 E C 2.163 178.782 176.600 0.032 0.000 0.988 84 E CA 1.338 57.740 56.400 0.003 0.000 0.804 84 E CB -0.122 29.581 29.700 0.005 0.000 0.745 84 E HN 0.477 nan 8.360 nan 0.000 0.458 85 L N 0.889 122.146 121.223 0.057 0.000 2.046 85 L HA -0.224 4.093 4.340 -0.039 0.000 0.208 85 L C 2.227 179.192 176.870 0.159 0.000 1.077 85 L CA 1.687 56.601 54.840 0.124 0.000 0.747 85 L CB -0.182 41.945 42.059 0.113 0.000 0.896 85 L HN 0.156 nan 8.230 nan 0.000 0.432 86 Q N -1.314 118.543 119.800 0.095 0.000 2.187 86 Q HA -0.067 4.250 4.340 -0.039 0.000 0.199 86 Q C 2.094 178.078 176.000 -0.026 0.000 0.957 86 Q CA 1.729 57.560 55.803 0.046 0.000 0.857 86 Q CB -0.512 28.250 28.738 0.040 0.000 0.929 86 Q HN 0.530 nan 8.270 nan 0.000 0.453 87 T N 1.946 116.491 114.554 -0.016 0.000 2.732 87 T HA -0.064 4.263 4.350 -0.039 0.000 0.261 87 T C 1.566 176.245 174.700 -0.036 0.000 1.040 87 T CA 1.224 63.304 62.100 -0.032 0.000 1.145 87 T CB -0.215 68.638 68.868 -0.026 0.000 0.866 87 T HN 0.215 nan 8.240 nan 0.000 0.427 88 N N 1.338 120.030 118.700 -0.013 0.000 2.258 88 N HA -0.053 4.664 4.740 -0.039 0.000 0.187 88 N C 1.588 177.082 175.510 -0.027 0.000 1.012 88 N CA 0.478 53.525 53.050 -0.005 0.000 0.870 88 N CB -0.554 37.950 38.487 0.029 0.000 0.977 88 N HN 0.200 nan 8.380 nan 0.000 0.434 89 L N 0.262 121.423 121.223 -0.103 0.000 2.005 89 L HA -0.044 4.273 4.340 -0.039 0.000 0.207 89 L C 1.917 178.686 176.870 -0.169 0.000 1.072 89 L CA 1.308 55.983 54.840 -0.274 0.000 0.744 89 L CB -0.698 40.969 42.059 -0.652 0.000 0.895 89 L HN -0.074 nan 8.230 nan 0.000 0.433 90 V N 0.267 120.092 119.914 -0.149 0.000 2.332 90 V HA -0.303 3.793 4.120 -0.039 0.000 0.248 90 V C 2.730 178.781 176.094 -0.071 0.000 1.055 90 V CA 2.219 64.455 62.300 -0.106 0.000 1.038 90 V CB -0.740 31.029 31.823 -0.090 0.000 0.651 90 V HN 0.465 nan 8.190 nan 0.000 0.450 91 R N 0.894 121.358 120.500 -0.059 0.000 2.064 91 R HA -0.121 4.196 4.340 -0.039 0.000 0.228 91 R C 2.624 178.899 176.300 -0.042 0.000 1.144 91 R CA 1.770 57.835 56.100 -0.058 0.000 0.932 91 R CB -0.902 29.371 30.300 -0.045 0.000 0.833 91 R HN 0.663 nan 8.270 nan 0.000 0.429 92 S N 0.516 116.210 115.700 -0.010 0.000 2.420 92 S HA -0.186 4.261 4.470 -0.039 0.000 0.237 92 S C 1.360 175.908 174.600 -0.087 0.000 1.023 92 S CA 1.493 59.677 58.200 -0.026 0.000 0.991 92 S CB -0.394 62.811 63.200 0.008 0.000 0.792 92 S HN 0.423 nan 8.310 nan 0.000 0.488 93 H N 0.594 119.599 119.070 -0.109 0.000 2.551 93 H HA 0.429 4.961 4.556 -0.040 0.000 0.271 93 H C 0.197 175.473 175.328 -0.088 0.000 0.984 93 H CA 0.064 56.054 56.048 -0.096 0.000 1.164 93 H CB 0.272 29.957 29.762 -0.128 0.000 1.437 93 H HN 0.285 nan 8.280 nan 0.000 0.550 94 S N 1.097 116.759 115.700 -0.063 0.000 4.139 94 S HA 0.371 4.817 4.470 -0.039 0.000 0.215 94 S C 0.715 175.243 174.600 -0.121 0.000 1.390 94 S CA 0.060 58.104 58.200 -0.260 0.000 0.885 94 S CB -0.163 62.797 63.200 -0.399 0.000 1.560 94 S HN 0.469 nan 8.310 nan 0.000 0.449 95 A N 1.572 124.440 122.820 0.079 0.000 2.705 95 A HA 0.591 4.887 4.320 -0.039 0.000 0.294 95 A C 0.861 178.571 177.584 0.209 0.000 1.039 95 A CA -0.516 51.597 52.037 0.127 0.000 1.005 95 A CB -0.016 18.997 19.000 0.020 0.000 1.192 95 A HN 0.602 nan 8.150 nan 0.000 0.513 96 G N 0.110 109.187 108.800 0.461 0.000 2.483 96 G HA2 0.504 4.441 3.960 -0.039 0.000 0.248 96 G HA3 0.504 4.441 3.960 -0.039 0.000 0.248 96 G C 0.140 175.046 174.900 0.010 0.000 1.248 96 G CA 0.539 45.715 45.100 0.127 0.000 0.838 96 G HN 1.244 nan 8.290 nan 0.000 0.566 97 V N -0.078 119.816 119.914 -0.034 0.000 3.158 97 V HA 1.036 5.132 4.120 -0.039 0.000 0.311 97 V C 0.778 176.820 176.094 -0.088 0.000 1.181 97 V CA 0.169 62.439 62.300 -0.050 0.000 1.054 97 V CB 1.100 32.909 31.823 -0.023 0.000 1.085 97 V HN 2.488 nan 8.190 nan 0.000 0.446 98 G N 0.966 109.714 108.800 -0.087 0.000 2.660 98 G HA2 -0.009 3.928 3.960 -0.039 0.000 0.215 98 G HA3 -0.009 3.928 3.960 -0.039 0.000 0.215 98 G C -2.612 172.207 174.900 -0.135 0.000 1.345 98 G CA -0.226 44.810 45.100 -0.107 0.000 0.877 98 G HN 1.160 nan 8.290 nan 0.000 0.549 99 P HA 0.509 nan 4.420 nan 0.000 0.272 99 P C 0.105 177.277 177.300 -0.213 0.000 1.240 99 P CA -0.330 62.670 63.100 -0.166 0.000 0.791 99 P CB 0.461 32.061 31.700 -0.166 0.000 0.978 100 L N 0.925 122.053 121.223 -0.160 0.000 2.350 100 L HA 0.349 4.666 4.340 -0.039 0.000 0.275 100 L C 0.928 177.734 176.870 -0.106 0.000 1.099 100 L CA -0.832 53.937 54.840 -0.117 0.000 0.808 100 L CB -0.050 41.977 42.059 -0.054 0.000 1.149 100 L HN 0.253 nan 8.230 nan 0.000 0.442 101 F N 1.171 121.099 119.950 -0.035 0.000 2.506 101 F HA 0.217 4.744 4.527 -0.001 0.000 0.351 101 F C 1.068 176.862 175.800 -0.010 0.000 1.136 101 F CA -0.070 57.919 58.000 -0.018 0.000 1.298 101 F CB 0.804 39.797 39.000 -0.011 0.000 1.145 101 F HN 0.560 nan 8.300 nan 0.000 0.593 102 A N 3.053 126.019 122.820 0.245 0.000 2.445 102 A HA 0.062 4.358 4.320 -0.039 0.000 0.242 102 A C 1.501 179.153 177.584 0.114 0.000 1.075 102 A CA -0.050 52.066 52.037 0.132 0.000 0.777 102 A CB 0.100 19.164 19.000 0.108 0.000 1.013 102 A HN 0.991 nan 8.150 nan 0.000 0.493 103 E N 0.977 121.219 120.200 0.071 0.000 2.086 103 E HA -0.348 3.978 4.350 -0.039 0.000 0.205 103 E C 1.288 177.915 176.600 0.045 0.000 1.027 103 E CA 2.393 58.824 56.400 0.052 0.000 0.830 103 E CB -0.176 29.545 29.700 0.034 0.000 0.751 103 E HN 0.863 nan 8.360 nan 0.000 0.456 104 D N 0.119 120.544 120.400 0.042 0.000 2.123 104 D HA -0.223 4.393 4.640 -0.039 0.000 0.196 104 D C 1.682 177.993 176.300 0.018 0.000 0.992 104 D CA 1.650 55.667 54.000 0.030 0.000 0.833 104 D CB -0.740 40.079 40.800 0.031 0.000 0.954 104 D HN 0.451 nan 8.370 nan 0.000 0.455 105 E N 0.762 120.985 120.200 0.037 0.000 2.038 105 E HA -0.128 4.198 4.350 -0.039 0.000 0.195 105 E C 2.319 178.850 176.600 -0.115 0.000 1.000 105 E CA 1.373 57.761 56.400 -0.021 0.000 0.803 105 E CB -0.289 29.478 29.700 0.112 0.000 0.750 105 E HN 0.376 nan 8.360 nan 0.000 0.448 106 A N 1.359 124.157 122.820 -0.037 0.000 1.948 106 A HA -0.251 4.045 4.320 -0.039 0.000 0.220 106 A C 2.070 179.633 177.584 -0.034 0.000 1.177 106 A CA 1.623 53.635 52.037 -0.042 0.000 0.636 106 A CB -0.468 18.564 19.000 0.052 0.000 0.815 106 A HN 0.091 nan 8.150 nan 0.000 0.449 107 R N -0.854 119.639 120.500 -0.010 0.000 2.075 107 R HA -0.029 4.288 4.340 -0.039 0.000 0.232 107 R C 2.545 178.833 176.300 -0.019 0.000 1.126 107 R CA 1.131 57.231 56.100 0.001 0.000 0.963 107 R CB -0.442 29.866 30.300 0.013 0.000 0.858 107 R HN 0.517 nan 8.270 nan 0.000 0.435 108 A N 1.327 124.123 122.820 -0.039 0.000 1.908 108 A HA -0.165 4.131 4.320 -0.039 0.000 0.218 108 A C 2.122 179.666 177.584 -0.067 0.000 1.181 108 A CA 1.264 53.273 52.037 -0.047 0.000 0.627 108 A CB -0.537 18.431 19.000 -0.053 0.000 0.818 108 A HN 0.183 nan 8.150 nan 0.000 0.445 109 I N -0.458 120.046 120.570 -0.110 0.000 2.099 109 I HA -0.240 3.906 4.170 -0.039 0.000 0.239 109 I C 2.389 178.470 176.117 -0.061 0.000 1.066 109 I CA 1.529 62.758 61.300 -0.119 0.000 1.324 109 I CB -0.615 37.272 38.000 -0.189 0.000 1.037 109 I HN 0.163 nan 8.210 nan 0.000 0.401 110 V N 1.238 121.130 119.914 -0.037 0.000 2.332 110 V HA -0.304 3.793 4.120 -0.039 0.000 0.248 110 V C 2.749 178.834 176.094 -0.015 0.000 1.055 110 V CA 1.989 64.282 62.300 -0.012 0.000 1.038 110 V CB -1.072 30.765 31.823 0.022 0.000 0.651 110 V HN 0.514 nan 8.190 nan 0.000 0.450 111 A N -0.045 122.766 122.820 -0.014 0.000 1.940 111 A HA -0.134 4.163 4.320 -0.039 0.000 0.219 111 A C 2.404 179.977 177.584 -0.017 0.000 1.176 111 A CA 2.133 54.163 52.037 -0.012 0.000 0.631 111 A CB -0.697 18.298 19.000 -0.009 0.000 0.814 111 A HN 0.586 nan 8.150 nan 0.000 0.446 112 A N -0.679 122.127 122.820 -0.024 0.000 1.930 112 A HA -0.065 4.232 4.320 -0.039 0.000 0.217 112 A C 2.182 179.755 177.584 -0.019 0.000 1.175 112 A CA 1.874 53.898 52.037 -0.022 0.000 0.627 112 A CB -0.359 18.623 19.000 -0.029 0.000 0.815 112 A HN 0.439 nan 8.150 nan 0.000 0.443 113 R N -0.487 120.000 120.500 -0.023 0.000 2.062 113 R HA -0.050 4.266 4.340 -0.039 0.000 0.229 113 R C 1.974 178.259 176.300 -0.025 0.000 1.128 113 R CA 1.473 57.560 56.100 -0.021 0.000 0.960 113 R CB -0.839 29.448 30.300 -0.023 0.000 0.855 113 R HN 0.442 nan 8.270 nan 0.000 0.432 114 L N 1.341 122.546 121.223 -0.029 0.000 2.013 114 L HA -0.217 4.099 4.340 -0.039 0.000 0.212 114 L C 1.808 178.661 176.870 -0.029 0.000 1.073 114 L CA 2.214 57.033 54.840 -0.034 0.000 0.753 114 L CB -1.078 40.962 42.059 -0.032 0.000 0.890 114 L HN 0.393 nan 8.230 nan 0.000 0.432 115 N N -1.479 117.208 118.700 -0.022 0.000 2.309 115 N HA -0.162 4.554 4.740 -0.039 0.000 0.182 115 N C 1.439 176.938 175.510 -0.018 0.000 1.018 115 N CA 1.610 54.648 53.050 -0.019 0.000 0.876 115 N CB 0.077 38.556 38.487 -0.013 0.000 0.972 115 N HN 0.539 nan 8.380 nan 0.000 0.434 116 T N 1.603 116.148 114.554 -0.015 0.000 2.668 116 T HA -0.022 4.304 4.350 -0.039 0.000 0.262 116 T C 2.032 176.723 174.700 -0.016 0.000 1.045 116 T CA 0.932 63.028 62.100 -0.007 0.000 1.152 116 T CB -0.243 68.625 68.868 -0.000 0.000 0.864 116 T HN 0.175 nan 8.240 nan 0.000 0.419 117 L N 1.024 122.231 121.223 -0.026 0.000 2.275 117 L HA 0.080 4.396 4.340 -0.039 0.000 0.215 117 L C 2.799 179.638 176.870 -0.052 0.000 1.119 117 L CA 0.672 55.489 54.840 -0.039 0.000 0.790 117 L CB -0.639 41.394 42.059 -0.044 0.000 0.919 117 L HN 0.214 nan 8.230 nan 0.000 0.443 118 A N -0.197 122.595 122.820 -0.048 0.000 2.168 118 A HA -0.145 4.152 4.320 -0.039 0.000 0.215 118 A C 2.309 179.846 177.584 -0.078 0.000 1.152 118 A CA 0.902 52.906 52.037 -0.054 0.000 0.716 118 A CB -0.330 18.646 19.000 -0.041 0.000 0.794 118 A HN 0.292 nan 8.150 nan 0.000 0.465 119 K N -0.711 119.637 120.400 -0.087 0.000 2.442 119 K HA 0.052 4.348 4.320 -0.039 0.000 0.198 119 K C 0.889 177.304 176.600 -0.308 0.000 1.042 119 K CA 0.630 56.832 56.287 -0.141 0.000 0.958 119 K CB -0.353 32.105 32.500 -0.071 0.000 0.766 119 K HN 0.675 nan 8.250 nan 0.000 0.474 120 G N 0.925 109.585 108.800 -0.233 0.000 2.256 120 G HA2 -0.259 3.678 3.960 -0.039 0.000 0.272 120 G HA3 -0.259 3.678 3.960 -0.039 0.000 0.272 120 G C -0.140 174.556 174.900 -0.339 0.000 1.076 120 G CA 0.515 45.467 45.100 -0.248 0.000 0.882 120 G HN 0.682 nan 8.290 nan 0.000 0.497 121 H N -1.457 117.545 119.070 -0.114 0.000 3.398 121 H HA 0.248 4.780 4.556 -0.040 0.000 0.260 121 H C 1.834 177.041 175.328 -0.202 0.000 1.189 121 H CA 0.448 56.353 56.048 -0.237 0.000 1.145 121 H CB 0.982 30.547 29.762 -0.327 0.000 1.599 121 H HN 0.341 nan 8.280 nan 0.000 0.615 122 S N 0.590 116.263 115.700 -0.045 0.000 2.556 122 S HA 0.260 4.707 4.470 -0.039 0.000 0.216 122 S C 1.231 175.696 174.600 -0.224 0.000 0.970 122 S CA 0.468 58.603 58.200 -0.109 0.000 0.912 122 S CB 0.662 63.816 63.200 -0.076 0.000 0.790 122 S HN 0.533 nan 8.310 nan 0.000 0.504 123 A N 0.999 123.707 122.820 -0.187 0.000 2.560 123 A HA -0.130 4.166 4.320 -0.039 0.000 0.299 123 A C 0.224 177.661 177.584 -0.244 0.000 1.484 123 A CA 0.311 52.167 52.037 -0.302 0.000 0.749 123 A CB -2.153 16.316 19.000 -0.884 0.000 1.072 123 A HN 0.312 nan 8.150 nan 0.000 0.426 124 V N 0.433 120.279 119.914 -0.112 0.000 2.850 124 V HA 0.481 4.578 4.120 -0.039 0.000 0.315 124 V C 1.158 177.241 176.094 -0.018 0.000 1.064 124 V CA -0.868 61.397 62.300 -0.058 0.000 0.979 124 V CB 1.777 33.564 31.823 -0.061 0.000 1.039 124 V HN 0.714 nan 8.190 nan 0.000 0.452 125 R N 3.164 123.664 120.500 -0.000 0.000 2.641 125 R HA 0.187 4.503 4.340 -0.039 0.000 0.269 125 R C -1.728 174.563 176.300 -0.015 0.000 1.074 125 R CA -1.139 54.963 56.100 0.003 0.000 1.133 125 R CB 0.286 30.589 30.300 0.005 0.000 1.029 125 R HN 0.449 nan 8.270 nan 0.000 0.488 126 P HA -0.144 nan 4.420 nan 0.000 0.218 126 P C 1.078 178.360 177.300 -0.030 0.000 1.149 126 P CA 0.685 63.773 63.100 -0.020 0.000 0.817 126 P CB 0.083 31.776 31.700 -0.012 0.000 0.785 127 I N -0.575 119.978 120.570 -0.028 0.000 2.185 127 I HA -0.247 3.900 4.170 -0.039 0.000 0.246 127 I C 1.836 177.918 176.117 -0.059 0.000 1.088 127 I CA 1.439 62.716 61.300 -0.037 0.000 1.347 127 I CB -0.934 37.047 38.000 -0.032 0.000 1.041 127 I HN -0.175 nan 8.210 nan 0.000 0.415 128 I N -0.150 120.385 120.570 -0.059 0.000 2.226 128 I HA -0.293 3.853 4.170 -0.039 0.000 0.245 128 I C 2.369 178.431 176.117 -0.091 0.000 1.100 128 I CA 1.487 62.738 61.300 -0.080 0.000 1.374 128 I CB -0.434 37.527 38.000 -0.065 0.000 1.057 128 I HN 0.192 nan 8.210 nan 0.000 0.413 129 L N -0.488 120.694 121.223 -0.068 0.000 2.056 129 L HA -0.216 4.101 4.340 -0.039 0.000 0.207 129 L C 2.408 179.237 176.870 -0.067 0.000 1.078 129 L CA 1.420 56.222 54.840 -0.063 0.000 0.749 129 L CB -0.715 41.316 42.059 -0.046 0.000 0.901 129 L HN 0.236 nan 8.230 nan 0.000 0.433 130 E N -0.337 119.828 120.200 -0.059 0.000 2.077 130 E HA -0.242 4.084 4.350 -0.039 0.000 0.193 130 E C 2.229 178.782 176.600 -0.078 0.000 0.989 130 E CA 0.879 57.248 56.400 -0.051 0.000 0.800 130 E CB -0.032 29.646 29.700 -0.036 0.000 0.746 130 E HN 0.155 nan 8.360 nan 0.000 0.452 131 R N 1.128 121.554 120.500 -0.125 0.000 2.080 131 R HA -0.100 4.216 4.340 -0.039 0.000 0.236 131 R C 2.112 178.188 176.300 -0.373 0.000 1.137 131 R CA 1.418 57.380 56.100 -0.231 0.000 0.943 131 R CB -0.860 29.282 30.300 -0.264 0.000 0.846 131 R HN 0.183 nan 8.270 nan 0.000 0.431 132 L N -0.178 120.863 121.223 -0.303 0.000 2.013 132 L HA -0.200 4.117 4.340 -0.039 0.000 0.212 132 L C 2.458 179.260 176.870 -0.113 0.000 1.073 132 L CA 1.653 56.341 54.840 -0.253 0.000 0.753 132 L CB -0.681 41.292 42.059 -0.144 0.000 0.890 132 L HN 0.340 nan 8.230 nan 0.000 0.432 133 A N -1.038 121.739 122.820 -0.071 0.000 1.933 133 A HA -0.264 4.032 4.320 -0.039 0.000 0.218 133 A C 2.246 179.846 177.584 0.028 0.000 1.175 133 A CA 1.602 53.630 52.037 -0.014 0.000 0.628 133 A CB -0.507 18.483 19.000 -0.017 0.000 0.814 133 A HN 0.473 nan 8.150 nan 0.000 0.444 134 Q N -1.566 118.252 119.800 0.030 0.000 2.061 134 Q HA -0.218 4.099 4.340 -0.039 0.000 0.204 134 Q C 1.908 178.047 176.000 0.232 0.000 0.984 134 Q CA 1.856 57.726 55.803 0.110 0.000 0.846 134 Q CB -0.271 28.539 28.738 0.120 0.000 0.902 134 Q HN 0.763 nan 8.270 nan 0.000 0.421 135 Y N 0.473 120.773 120.300 -0.001 0.000 2.128 135 Y HA -0.225 4.301 4.550 -0.040 0.000 0.284 135 Y C 2.169 178.070 175.900 0.003 0.000 1.154 135 Y CA 0.835 58.936 58.100 0.002 0.000 1.149 135 Y CB -0.762 37.700 38.460 0.003 0.000 0.976 135 Y HN 0.145 nan 8.280 nan 0.000 0.505 136 L N -0.378 120.949 121.223 0.174 0.000 2.131 136 L HA -0.244 4.072 4.340 -0.039 0.000 0.210 136 L C 1.633 178.540 176.870 0.063 0.000 1.092 136 L CA 1.584 56.479 54.840 0.091 0.000 0.759 136 L CB -0.413 41.680 42.059 0.057 0.000 0.903 136 L HN 0.322 nan 8.230 nan 0.000 0.435 137 N N -1.079 117.660 118.700 0.065 0.000 2.368 137 N HA -0.083 4.633 4.740 -0.039 0.000 0.178 137 N C 1.330 176.863 175.510 0.039 0.000 1.021 137 N CA 0.350 53.426 53.050 0.044 0.000 0.875 137 N CB 0.244 38.753 38.487 0.037 0.000 1.020 137 N HN 0.246 nan 8.380 nan 0.000 0.433 138 E N 0.420 120.651 120.200 0.052 0.000 2.482 138 E HA 0.026 4.353 4.350 -0.039 0.000 0.196 138 E C 0.565 177.168 176.600 0.005 0.000 1.047 138 E CA 0.325 56.742 56.400 0.029 0.000 0.869 138 E CB 0.179 29.901 29.700 0.038 0.000 0.836 138 E HN 0.436 nan 8.360 nan 0.000 0.520 139 G N 2.161 110.969 108.800 0.013 0.000 2.182 139 G HA2 -0.273 3.663 3.960 -0.039 0.000 0.248 139 G HA3 -0.273 3.663 3.960 -0.039 0.000 0.248 139 G C 0.099 174.976 174.900 -0.039 0.000 1.042 139 G CA -0.130 44.968 45.100 -0.003 0.000 0.775 139 G HN 0.244 nan 8.290 nan 0.000 0.501 140 I N 2.388 122.913 120.570 -0.074 0.000 2.276 140 I HA 0.227 4.373 4.170 -0.039 0.000 0.290 140 I C 0.519 176.566 176.117 -0.117 0.000 1.109 140 I CA -0.215 60.962 61.300 -0.205 0.000 1.229 140 I CB 0.782 38.433 38.000 -0.582 0.000 1.452 140 I HN 0.082 nan 8.210 nan 0.000 0.497 141 T N 6.953 121.477 114.554 -0.049 0.000 2.749 141 T HA 0.297 4.624 4.350 -0.039 0.000 0.295 141 T C -2.376 172.340 174.700 0.027 0.000 0.936 141 T CA -1.424 60.685 62.100 0.013 0.000 1.060 141 T CB 0.781 69.663 68.868 0.024 0.000 0.904 141 T HN 0.168 nan 8.240 nan 0.000 0.500 142 P HA 0.334 nan 4.420 nan 0.000 0.275 142 P C -0.882 176.487 177.300 0.114 0.000 1.228 142 P CA -0.573 62.591 63.100 0.106 0.000 0.786 142 P CB 0.462 32.249 31.700 0.145 0.000 0.927 143 A N 4.060 126.965 122.820 0.141 0.000 2.527 143 A HA 0.361 4.657 4.320 -0.039 0.000 0.313 143 A C 0.011 177.665 177.584 0.116 0.000 1.410 143 A CA -0.316 51.796 52.037 0.125 0.000 1.060 143 A CB -1.111 17.974 19.000 0.141 0.000 1.137 143 A HN 0.443 nan 8.150 nan 0.000 0.542 144 I N 4.104 124.743 120.570 0.114 0.000 2.312 144 I HA 0.279 4.426 4.170 -0.039 0.000 0.290 144 I C -2.390 173.768 176.117 0.068 0.000 1.008 144 I CA -2.228 59.138 61.300 0.111 0.000 1.226 144 I CB 1.703 39.827 38.000 0.207 0.000 1.371 144 I HN 0.324 nan 8.210 nan 0.000 0.468 145 P HA 0.083 nan 4.420 nan 0.000 0.271 145 P C 0.389 177.629 177.300 -0.101 0.000 1.216 145 P CA -0.069 62.905 63.100 -0.210 0.000 0.771 145 P CB 0.769 32.249 31.700 -0.367 0.000 0.864 146 E N 1.768 121.786 120.200 -0.303 0.000 2.110 146 E HA -0.095 4.232 4.350 -0.039 0.000 0.193 146 E C 0.469 177.007 176.600 -0.102 0.000 0.988 146 E CA 0.948 57.065 56.400 -0.471 0.000 0.804 146 E CB 0.019 29.286 29.700 -0.723 0.000 0.745 146 E HN 0.458 nan 8.360 nan 0.000 0.458 147 I N -0.839 119.677 120.570 -0.090 0.000 2.412 147 I HA 0.287 4.434 4.170 -0.039 0.000 0.296 147 I C 0.908 177.027 176.117 0.004 0.000 0.987 147 I CA 0.024 61.307 61.300 -0.029 0.000 1.180 147 I CB 1.991 39.965 38.000 -0.044 0.000 1.340 147 I HN 0.114 nan 8.210 nan 0.000 0.455 148 G N 3.266 112.083 108.800 0.028 0.000 3.967 148 G HA2 -0.165 3.771 3.960 -0.039 0.000 0.210 148 G HA3 -0.165 3.771 3.960 -0.039 0.000 0.210 148 G C 0.193 175.120 174.900 0.045 0.000 1.127 148 G CA 0.073 45.197 45.100 0.041 0.000 0.887 148 G HN 0.671 nan 8.290 nan 0.000 0.367 149 S N 1.051 116.785 115.700 0.055 0.000 2.549 149 S HA 0.524 4.971 4.470 -0.039 0.000 0.283 149 S C 1.119 175.731 174.600 0.021 0.000 1.320 149 S CA -0.067 58.158 58.200 0.042 0.000 1.058 149 S CB 1.196 64.426 63.200 0.050 0.000 0.882 149 S HN 0.448 nan 8.310 nan 0.000 0.498 150 L N 3.063 124.286 121.223 -0.000 0.000 2.607 150 L HA 0.367 4.683 4.340 -0.039 0.000 0.228 150 L C 1.455 178.296 176.870 -0.048 0.000 1.123 150 L CA 0.310 55.140 54.840 -0.016 0.000 0.890 150 L CB -1.070 40.977 42.059 -0.022 0.000 1.103 150 L HN 1.193 nan 8.230 nan 0.000 0.468 156 L N 0.417 121.648 121.223 0.013 0.000 1.976 156 L HA -0.116 4.201 4.340 -0.039 0.000 0.209 156 L C 2.608 179.522 176.870 0.073 0.000 1.071 156 L CA 1.930 56.782 54.840 0.020 0.000 0.746 156 L CB -0.289 41.794 42.059 0.040 0.000 0.890 156 L HN 0.248 nan 8.230 nan 0.000 0.432 157 A N 0.699 123.583 122.820 0.105 0.000 1.849 157 A HA -0.167 4.130 4.320 -0.039 0.000 0.217 157 A C -0.011 177.712 177.584 0.233 0.000 1.202 157 A CA 2.209 54.345 52.037 0.165 0.000 0.629 157 A CB -2.113 16.972 19.000 0.143 0.000 0.834 157 A HN 0.316 nan 8.150 nan 0.000 0.447 158 P HA -0.166 nan 4.420 nan 0.000 0.215 158 P C 1.530 178.919 177.300 0.148 0.000 1.157 158 P CA 1.280 64.479 63.100 0.165 0.000 0.874 158 P CB -0.292 31.487 31.700 0.132 0.000 0.790 159 L N -0.970 120.306 121.223 0.089 0.000 2.201 159 L HA -0.063 4.254 4.340 -0.039 0.000 0.212 159 L C 2.733 179.635 176.870 0.055 0.000 1.105 159 L CA 1.131 56.002 54.840 0.053 0.000 0.775 159 L CB -0.999 41.070 42.059 0.016 0.000 0.913 159 L HN 0.016 nan 8.230 nan 0.000 0.440 160 S N -1.107 114.634 115.700 0.069 0.000 2.406 160 S HA -0.159 4.287 4.470 -0.039 0.000 0.228 160 S C 1.835 176.441 174.600 0.010 0.000 1.020 160 S CA 0.943 59.154 58.200 0.018 0.000 0.965 160 S CB -0.150 63.060 63.200 0.017 0.000 0.798 160 S HN 0.485 nan 8.310 nan 0.000 0.488 161 H N -0.129 118.972 119.070 0.052 0.000 2.389 161 H HA 0.057 4.594 4.556 -0.032 0.000 0.299 161 H C 2.002 177.373 175.328 0.071 0.000 1.081 161 H CA 1.446 57.538 56.048 0.073 0.000 1.345 161 H CB -0.072 29.748 29.762 0.097 0.000 1.393 161 H HN 0.143 nan 8.280 nan 0.000 0.520 162 V N 0.389 120.408 119.914 0.175 0.000 2.244 162 V HA -0.253 3.843 4.120 -0.039 0.000 0.244 162 V C 2.578 178.722 176.094 0.084 0.000 1.042 162 V CA 1.681 64.056 62.300 0.124 0.000 1.006 162 V CB -1.033 30.840 31.823 0.083 0.000 0.641 162 V HN 0.580 nan 8.190 nan 0.000 0.446 163 A N -0.729 122.113 122.820 0.037 0.000 1.997 163 A HA -0.284 4.012 4.320 -0.039 0.000 0.221 163 A C 2.477 180.063 177.584 0.004 0.000 1.172 163 A CA 2.397 54.433 52.037 -0.001 0.000 0.645 163 A CB -0.837 18.145 19.000 -0.030 0.000 0.813 163 A HN 0.484 nan 8.150 nan 0.000 0.454 164 S N -0.737 114.967 115.700 0.006 0.000 2.383 164 S HA -0.159 4.287 4.470 -0.039 0.000 0.229 164 S C 2.197 176.813 174.600 0.025 0.000 1.030 164 S CA 2.039 60.232 58.200 -0.012 0.000 1.002 164 S CB -0.548 62.624 63.200 -0.046 0.000 0.829 164 S HN 0.933 nan 8.310 nan 0.000 0.467 165 T N -0.016 114.590 114.554 0.087 0.000 3.035 165 T HA 0.139 4.465 4.350 -0.039 0.000 0.268 165 T C 1.533 176.375 174.700 0.237 0.000 1.109 165 T CA 0.522 62.716 62.100 0.157 0.000 1.119 165 T CB -0.304 68.700 68.868 0.228 0.000 0.900 165 T HN 0.286 nan 8.240 nan 0.000 0.503 166 L N 0.742 122.038 121.223 0.121 0.000 2.395 166 L HA 0.293 4.609 4.340 -0.039 0.000 0.218 166 L C 2.028 178.912 176.870 0.023 0.000 1.130 166 L CA 0.968 55.822 54.840 0.022 0.000 0.826 166 L CB -0.293 41.718 42.059 -0.081 0.000 0.941 166 L HN 0.522 nan 8.230 nan 0.000 0.451 167 I N -4.472 116.111 120.570 0.023 0.000 3.974 167 I HA 0.414 4.561 4.170 -0.039 0.000 0.334 167 I C 1.085 177.205 176.117 0.005 0.000 1.437 167 I CA 0.258 61.559 61.300 0.002 0.000 1.113 167 I CB 0.285 38.273 38.000 -0.021 0.000 1.063 167 I HN 0.112 nan 8.210 nan 0.000 0.400 168 G N 1.320 110.137 108.800 0.028 0.000 2.137 168 G HA2 -0.225 3.712 3.960 -0.039 0.000 0.237 168 G HA3 -0.225 3.712 3.960 -0.039 0.000 0.237 168 G C -0.169 174.707 174.900 -0.040 0.000 1.002 168 G CA 0.230 45.333 45.100 0.004 0.000 0.702 168 G HN 0.619 nan 8.290 nan 0.000 0.515 169 E N -1.306 118.867 120.200 -0.046 0.000 2.396 169 E HA 0.660 4.987 4.350 -0.039 0.000 0.251 169 E C 1.138 177.663 176.600 -0.125 0.000 0.949 169 E CA -0.395 55.945 56.400 -0.099 0.000 0.834 169 E CB 1.434 31.084 29.700 -0.085 0.000 1.309 169 E HN 1.272 nan 8.360 nan 0.000 0.405 170 G N -0.312 108.367 108.800 -0.202 0.000 2.550 170 G HA2 -0.292 3.644 3.960 -0.039 0.000 0.277 170 G HA3 -0.292 3.644 3.960 -0.039 0.000 0.277 170 G C -1.040 173.602 174.900 -0.430 0.000 1.190 170 G CA 0.291 45.282 45.100 -0.182 0.000 0.971 170 G HN 0.423 nan 8.290 nan 0.000 0.559 171 Y N -1.166 119.182 120.300 0.080 0.000 2.562 171 Y HA 0.546 5.075 4.550 -0.034 0.000 0.345 171 Y C 0.341 176.270 175.900 0.048 0.000 1.045 171 Y CA -0.398 57.736 58.100 0.058 0.000 1.028 171 Y CB 2.380 40.879 38.460 0.065 0.000 1.297 171 Y HN 0.836 nan 8.280 nan 0.000 0.463 172 V N 0.959 120.978 119.914 0.175 0.000 2.513 172 V HA 0.599 4.696 4.120 -0.039 0.000 0.299 172 V C -0.787 175.355 176.094 0.081 0.000 1.035 172 V CA -1.081 61.269 62.300 0.083 0.000 0.889 172 V CB 1.672 33.491 31.823 -0.006 0.000 0.988 172 V HN 0.641 nan 8.190 nan 0.000 0.440 173 L N 4.276 125.534 121.223 0.058 0.000 2.313 173 L HA 0.626 4.942 4.340 -0.039 0.000 0.282 173 L C 0.133 177.016 176.870 0.021 0.000 1.092 173 L CA 0.345 55.210 54.840 0.042 0.000 0.831 173 L CB 0.464 42.550 42.059 0.046 0.000 1.159 173 L HN 0.833 nan 8.230 nan 0.000 0.442 174 R N 3.936 124.446 120.500 0.017 0.000 2.539 174 R HA 0.302 4.619 4.340 -0.039 0.000 0.295 174 R C -1.036 175.267 176.300 0.005 0.000 1.138 174 R CA -0.396 55.709 56.100 0.008 0.000 0.936 174 R CB 0.637 30.939 30.300 0.004 0.000 1.182 174 R HN 0.745 nan 8.270 nan 0.000 0.459 175 D N 2.645 123.047 120.400 0.004 0.000 2.947 175 D HA -0.151 4.465 4.640 -0.039 0.000 0.224 175 D C 0.781 177.080 176.300 -0.001 0.000 1.132 175 D CA 1.910 55.911 54.000 0.001 0.000 0.801 175 D CB -0.980 39.820 40.800 -0.000 0.000 1.097 175 D HN 1.008 nan 8.370 nan 0.000 0.431 176 G N -0.607 108.194 108.800 0.001 0.000 2.234 176 G HA2 -0.382 3.554 3.960 -0.039 0.000 0.260 176 G HA3 -0.382 3.554 3.960 -0.039 0.000 0.260 176 G C 0.382 175.274 174.900 -0.013 0.000 0.987 176 G CA 0.692 45.790 45.100 -0.004 0.000 0.625 176 G HN 0.564 nan 8.290 nan 0.000 0.532 177 R N 1.107 121.601 120.500 -0.011 0.000 2.668 177 R HA 0.614 4.930 4.340 -0.039 0.000 0.279 177 R C -2.718 173.576 176.300 -0.010 0.000 0.976 177 R CA -1.927 54.160 56.100 -0.021 0.000 0.978 177 R CB 1.690 31.979 30.300 -0.018 0.000 1.133 177 R HN 0.153 nan 8.270 nan 0.000 0.484 178 P HA 0.199 nan 4.420 nan 0.000 0.290 178 P C -0.903 176.457 177.300 0.101 0.000 1.276 178 P CA -0.415 62.687 63.100 0.003 0.000 0.808 178 P CB 1.466 33.052 31.700 -0.191 0.000 0.966 179 V N 3.055 123.089 119.914 0.200 0.000 2.656 179 V HA 0.187 4.284 4.120 -0.039 0.000 0.307 179 V C 0.485 176.708 176.094 0.216 0.000 1.051 179 V CA -0.903 61.515 62.300 0.197 0.000 0.893 179 V CB 1.732 33.605 31.823 0.083 0.000 0.999 179 V HN 0.514 nan 8.190 nan 0.000 0.426 180 E N 1.983 122.272 120.200 0.149 0.000 2.708 180 E HA -0.087 4.240 4.350 -0.039 0.000 0.260 180 E C 0.737 177.295 176.600 -0.070 0.000 0.937 180 E CA 0.385 56.738 56.400 -0.079 0.000 0.953 180 E CB 0.557 30.214 29.700 -0.072 0.000 0.915 180 E HN 0.728 nan 8.360 nan 0.000 0.487 181 T N 2.771 117.249 114.554 -0.127 0.000 2.821 181 T HA -0.163 4.164 4.350 -0.039 0.000 0.267 181 T C 1.755 176.418 174.700 -0.062 0.000 1.046 181 T CA 1.274 63.329 62.100 -0.075 0.000 1.139 181 T CB 0.046 68.877 68.868 -0.062 0.000 0.871 181 T HN 0.608 nan 8.240 nan 0.000 0.454 182 A N 1.389 124.166 122.820 -0.071 0.000 1.845 182 A HA -0.185 4.111 4.320 -0.039 0.000 0.215 182 A C 2.268 179.830 177.584 -0.037 0.000 1.195 182 A CA 1.879 53.888 52.037 -0.048 0.000 0.616 182 A CB -0.886 18.082 19.000 -0.052 0.000 0.832 182 A HN 0.532 nan 8.150 nan 0.000 0.443 183 Q N -0.315 119.464 119.800 -0.035 0.000 2.197 183 Q HA -0.156 4.161 4.340 -0.039 0.000 0.207 183 Q C 1.889 177.875 176.000 -0.024 0.000 0.984 183 Q CA 2.023 57.812 55.803 -0.022 0.000 0.869 183 Q CB -0.194 28.536 28.738 -0.013 0.000 0.906 183 Q HN 0.427 nan 8.270 nan 0.000 0.426 184 V N 0.741 120.636 119.914 -0.032 0.000 2.591 184 V HA -0.219 3.877 4.120 -0.039 0.000 0.249 184 V C 2.259 178.322 176.094 -0.052 0.000 1.053 184 V CA 1.075 63.349 62.300 -0.043 0.000 1.068 184 V CB -0.341 31.448 31.823 -0.058 0.000 0.689 184 V HN 0.381 nan 8.190 nan 0.000 0.462 185 L N 0.178 121.373 121.223 -0.048 0.000 2.017 185 L HA -0.142 4.174 4.340 -0.039 0.000 0.208 185 L C 2.766 179.624 176.870 -0.019 0.000 1.073 185 L CA 1.649 56.469 54.840 -0.033 0.000 0.745 185 L CB -0.853 41.200 42.059 -0.011 0.000 0.894 185 L HN 0.369 nan 8.230 nan 0.000 0.432 186 A N -0.067 122.743 122.820 -0.017 0.000 1.940 186 A HA -0.223 4.073 4.320 -0.039 0.000 0.219 186 A C 2.107 179.683 177.584 -0.012 0.000 1.176 186 A CA 1.650 53.679 52.037 -0.012 0.000 0.631 186 A CB -0.424 18.569 19.000 -0.012 0.000 0.814 186 A HN 0.473 nan 8.150 nan 0.000 0.446 187 E N -0.988 119.202 120.200 -0.017 0.000 2.274 187 E HA -0.090 4.237 4.350 -0.039 0.000 0.194 187 E C 1.786 178.376 176.600 -0.017 0.000 0.996 187 E CA 0.460 56.851 56.400 -0.016 0.000 0.840 187 E CB 0.025 29.713 29.700 -0.019 0.000 0.772 187 E HN 0.356 nan 8.360 nan 0.000 0.491 188 R N -0.903 119.585 120.500 -0.020 0.000 2.290 188 R HA 0.112 4.428 4.340 -0.039 0.000 0.197 188 R C 1.364 177.661 176.300 -0.004 0.000 0.913 188 R CA 0.780 56.870 56.100 -0.017 0.000 1.040 188 R CB 0.865 31.146 30.300 -0.031 0.000 0.992 188 R HN 0.286 nan 8.270 nan 0.000 0.500 189 G N 1.501 110.300 108.800 -0.003 0.000 2.176 189 G HA2 -0.268 3.669 3.960 -0.039 0.000 0.253 189 G HA3 -0.268 3.669 3.960 -0.039 0.000 0.253 189 G C 0.333 175.240 174.900 0.011 0.000 0.979 189 G CA 0.053 45.155 45.100 0.003 0.000 0.641 189 G HN 0.259 nan 8.290 nan 0.000 0.530 190 I N 1.028 121.609 120.570 0.018 0.000 2.634 190 I HA 0.276 4.423 4.170 -0.039 0.000 0.284 190 I C 0.733 176.869 176.117 0.031 0.000 1.124 190 I CA 0.039 61.362 61.300 0.038 0.000 1.417 190 I CB 1.058 39.102 38.000 0.073 0.000 1.396 190 I HN 0.200 nan 8.210 nan 0.000 0.571 191 E N 7.869 128.087 120.200 0.030 0.000 2.109 191 E HA 0.295 4.622 4.350 -0.039 0.000 0.278 191 E C -2.171 174.445 176.600 0.026 0.000 0.954 191 E CA -2.016 54.396 56.400 0.020 0.000 0.779 191 E CB 0.902 30.608 29.700 0.009 0.000 1.093 191 E HN 0.267 nan 8.360 nan 0.000 0.401 192 P HA -0.090 nan 4.420 nan 0.000 0.265 192 P C -0.376 176.928 177.300 0.007 0.000 1.187 192 P CA 0.422 63.538 63.100 0.027 0.000 0.766 192 P CB 0.622 32.329 31.700 0.012 0.000 0.820 193 L N 1.439 122.662 121.223 0.000 0.000 2.468 193 L HA 0.303 4.619 4.340 -0.039 0.000 0.254 193 L C 1.067 177.922 176.870 -0.026 0.000 1.171 193 L CA -0.297 54.532 54.840 -0.020 0.000 0.809 193 L CB 0.147 42.184 42.059 -0.037 0.000 1.155 193 L HN 0.475 nan 8.230 nan 0.000 0.473 194 E N 1.231 121.411 120.200 -0.034 0.000 2.220 194 E HA 0.331 4.657 4.350 -0.039 0.000 0.256 194 E C -1.015 175.557 176.600 -0.047 0.000 0.881 194 E CA -0.639 55.736 56.400 -0.040 0.000 0.766 194 E CB 1.213 30.887 29.700 -0.044 0.000 1.187 194 E HN 0.425 nan 8.360 nan 0.000 0.419 195 L N 4.287 125.484 121.223 -0.044 0.000 2.543 195 L HA 0.078 4.394 4.340 -0.039 0.000 0.285 195 L C 1.078 177.918 176.870 -0.051 0.000 1.236 195 L CA 0.381 55.197 54.840 -0.040 0.000 0.871 195 L CB -0.002 42.036 42.059 -0.034 0.000 1.121 195 L HN 0.560 nan 8.230 nan 0.000 0.501 196 R N 1.661 122.140 120.500 -0.035 0.000 3.173 196 R HA 0.414 4.731 4.340 -0.039 0.000 0.225 196 R C -0.682 175.642 176.300 0.041 0.000 1.587 196 R CA -1.094 54.966 56.100 -0.066 0.000 1.033 196 R CB 0.200 30.456 30.300 -0.072 0.000 1.804 196 R HN 0.157 nan 8.270 nan 0.000 0.526 197 F N 3.232 123.223 119.950 0.069 0.000 2.539 197 F HA -0.093 4.410 4.527 -0.040 0.000 0.393 197 F C 1.689 177.594 175.800 0.175 0.000 1.032 197 F CA 0.857 58.933 58.000 0.126 0.000 1.120 197 F CB -0.227 38.869 39.000 0.161 0.000 1.014 197 F HN 0.534 nan 8.300 nan 0.000 0.546 198 K N 1.653 122.246 120.400 0.322 0.000 3.472 198 K HA -0.348 3.949 4.320 -0.039 0.000 0.315 198 K C 1.019 177.656 176.600 0.062 0.000 1.320 198 K CA 1.746 58.128 56.287 0.158 0.000 0.962 198 K CB -1.211 31.357 32.500 0.114 0.000 1.251 198 K HN 0.653 nan 8.250 nan 0.000 0.443 199 E N -0.281 119.963 120.200 0.073 0.000 2.072 199 E HA -0.030 4.297 4.350 -0.039 0.000 0.191 199 E C 1.917 178.508 176.600 -0.015 0.000 0.985 199 E CA 1.597 58.005 56.400 0.014 0.000 0.801 199 E CB -0.286 29.421 29.700 0.012 0.000 0.750 199 E HN 0.563 nan 8.360 nan 0.000 0.452 200 G N 0.495 109.287 108.800 -0.013 0.000 2.421 200 G HA2 -0.212 3.725 3.960 -0.039 0.000 0.217 200 G HA3 -0.212 3.725 3.960 -0.039 0.000 0.217 200 G C 1.469 176.318 174.900 -0.086 0.000 1.143 200 G CA 0.654 45.721 45.100 -0.055 0.000 0.784 200 G HN 0.259 nan 8.290 nan 0.000 0.541 201 L N 1.106 122.297 121.223 -0.053 0.000 2.109 201 L HA 0.343 4.659 4.340 -0.039 0.000 0.207 201 L C 2.835 179.681 176.870 -0.039 0.000 1.086 201 L CA 1.929 56.730 54.840 -0.064 0.000 0.760 201 L CB -0.480 41.598 42.059 0.031 0.000 0.910 201 L HN 0.165 nan 8.230 nan 0.000 0.437 202 A N -0.817 121.985 122.820 -0.030 0.000 2.066 202 A HA -0.042 4.255 4.320 -0.039 0.000 0.218 202 A C 2.197 179.766 177.584 -0.026 0.000 1.157 202 A CA 1.472 53.494 52.037 -0.025 0.000 0.670 202 A CB -0.671 18.299 19.000 -0.051 0.000 0.804 202 A HN 0.504 nan 8.150 nan 0.000 0.453 203 L N -0.344 120.855 121.223 -0.040 0.000 2.209 203 L HA 0.012 4.328 4.340 -0.039 0.000 0.207 203 L C 2.399 179.248 176.870 -0.034 0.000 1.094 203 L CA 1.138 55.954 54.840 -0.040 0.000 0.790 203 L CB -0.135 41.895 42.059 -0.048 0.000 0.932 203 L HN 0.669 nan 8.230 nan 0.000 0.447 204 I N -4.071 116.468 120.570 -0.052 0.000 3.265 204 I HA 0.074 4.220 4.170 -0.039 0.000 0.282 204 I C 0.711 176.805 176.117 -0.038 0.000 1.207 204 I CA 0.207 61.476 61.300 -0.052 0.000 1.449 204 I CB -0.071 37.868 38.000 -0.102 0.000 1.121 204 I HN 0.057 nan 8.210 nan 0.000 0.442 205 N N 2.392 121.076 118.700 -0.027 0.000 2.671 205 N HA 0.465 5.181 4.740 -0.039 0.000 0.274 205 N C -0.316 175.256 175.510 0.104 0.000 1.188 205 N CA 0.462 53.525 53.050 0.023 0.000 1.065 205 N CB 0.130 38.656 38.487 0.064 0.000 1.415 205 N HN 0.677 nan 8.380 nan 0.000 0.511 206 G N -0.642 108.211 108.800 0.088 0.000 2.495 206 G HA2 0.225 4.162 3.960 -0.039 0.000 0.294 206 G HA3 0.225 4.162 3.960 -0.039 0.000 0.294 206 G C -0.139 174.804 174.900 0.071 0.000 1.397 206 G CA -0.445 44.716 45.100 0.101 0.000 0.790 206 G HN 0.211 nan 8.290 nan 0.000 0.486 207 T N -2.062 112.526 114.554 0.056 0.000 3.223 207 T HA 0.289 4.615 4.350 -0.039 0.000 0.259 207 T C 1.618 176.319 174.700 0.002 0.000 1.015 207 T CA 0.833 62.949 62.100 0.028 0.000 0.908 207 T CB 0.333 69.217 68.868 0.026 0.000 1.054 207 T HN 0.282 nan 8.240 nan 0.000 0.567 208 S N 1.281 116.979 115.700 -0.002 0.000 2.399 208 S HA 0.038 4.485 4.470 -0.039 0.000 0.231 208 S C 2.331 176.900 174.600 -0.052 0.000 1.022 208 S CA 1.089 59.274 58.200 -0.024 0.000 0.983 208 S CB -0.712 62.475 63.200 -0.022 0.000 0.803 208 S HN 0.760 nan 8.310 nan 0.000 0.480 209 G N 2.899 111.669 108.800 -0.050 0.000 2.453 209 G HA2 -0.243 3.693 3.960 -0.039 0.000 0.215 209 G HA3 -0.243 3.693 3.960 -0.039 0.000 0.215 209 G C 1.470 176.314 174.900 -0.094 0.000 1.201 209 G CA 1.231 46.276 45.100 -0.092 0.000 0.784 209 G HN 0.635 nan 8.290 nan 0.000 0.545 210 M N -0.456 119.121 119.600 -0.038 0.000 2.319 210 M HA 0.141 4.598 4.480 -0.039 0.000 0.265 210 M C 2.240 178.524 176.300 -0.026 0.000 1.068 210 M CA 1.797 57.086 55.300 -0.019 0.000 1.118 210 M CB -0.708 31.891 32.600 -0.002 0.000 1.395 210 M HN -0.014 nan 8.290 nan 0.000 0.435 211 T N 1.146 115.681 114.554 -0.031 0.000 2.812 211 T HA 0.054 4.380 4.350 -0.039 0.000 0.264 211 T C 2.017 176.697 174.700 -0.033 0.000 1.042 211 T CA 1.510 63.594 62.100 -0.026 0.000 1.140 211 T CB -0.579 68.277 68.868 -0.021 0.000 0.870 211 T HN 0.680 nan 8.240 nan 0.000 0.445 212 G N 1.656 110.422 108.800 -0.058 0.000 2.394 212 G HA2 -0.097 3.839 3.960 -0.039 0.000 0.214 212 G HA3 -0.097 3.839 3.960 -0.039 0.000 0.214 212 G C 1.511 176.366 174.900 -0.075 0.000 1.176 212 G CA 0.538 45.596 45.100 -0.070 0.000 0.786 212 G HN 0.372 nan 8.290 nan 0.000 0.533 213 L N 1.870 123.028 121.223 -0.110 0.000 2.017 213 L HA 0.150 4.467 4.340 -0.039 0.000 0.208 213 L C 2.713 179.579 176.870 -0.007 0.000 1.073 213 L CA 2.433 57.227 54.840 -0.076 0.000 0.745 213 L CB -1.221 40.787 42.059 -0.085 0.000 0.894 213 L HN 0.172 nan 8.230 nan 0.000 0.432 214 G N -1.737 107.061 108.800 -0.004 0.000 2.432 214 G HA2 -0.227 3.709 3.960 -0.039 0.000 0.219 214 G HA3 -0.227 3.709 3.960 -0.039 0.000 0.219 214 G C 1.624 176.536 174.900 0.020 0.000 1.135 214 G CA 0.882 45.991 45.100 0.016 0.000 0.767 214 G HN 0.476 nan 8.290 nan 0.000 0.550 215 S N 0.052 115.757 115.700 0.008 0.000 2.356 215 S HA 0.002 4.448 4.470 -0.039 0.000 0.223 215 S C 2.315 176.930 174.600 0.026 0.000 1.032 215 S CA 0.738 58.948 58.200 0.016 0.000 1.005 215 S CB -0.248 62.955 63.200 0.005 0.000 0.867 215 S HN 0.330 nan 8.310 nan 0.000 0.449 216 L N 1.044 122.278 121.223 0.019 0.000 2.012 216 L HA -0.136 4.180 4.340 -0.039 0.000 0.210 216 L C 2.304 179.198 176.870 0.041 0.000 1.073 216 L CA 1.010 55.867 54.840 0.028 0.000 0.748 216 L CB -0.612 41.462 42.059 0.025 0.000 0.891 216 L HN 0.207 nan 8.230 nan 0.000 0.431 217 V N -0.882 119.059 119.914 0.045 0.000 2.233 217 V HA -0.292 3.804 4.120 -0.039 0.000 0.247 217 V C 2.372 178.501 176.094 0.057 0.000 1.050 217 V CA 1.868 64.200 62.300 0.053 0.000 1.010 217 V CB -0.536 31.320 31.823 0.056 0.000 0.637 217 V HN 0.207 nan 8.190 nan 0.000 0.444 218 V N 1.030 120.980 119.914 0.059 0.000 2.332 218 V HA -0.224 3.873 4.120 -0.039 0.000 0.248 218 V C 2.635 178.773 176.094 0.074 0.000 1.055 218 V CA 2.237 64.579 62.300 0.070 0.000 1.038 218 V CB -1.584 30.285 31.823 0.076 0.000 0.651 218 V HN 0.636 nan 8.190 nan 0.000 0.450 219 G N -0.072 108.766 108.800 0.064 0.000 2.459 219 G HA2 -0.256 3.680 3.960 -0.039 0.000 0.217 219 G HA3 -0.256 3.680 3.960 -0.039 0.000 0.217 219 G C 1.746 176.684 174.900 0.063 0.000 1.183 219 G CA 0.822 45.960 45.100 0.063 0.000 0.776 219 G HN 0.458 nan 8.290 nan 0.000 0.552 220 R N 0.478 121.012 120.500 0.057 0.000 2.148 220 R HA 0.176 4.493 4.340 -0.039 0.000 0.223 220 R C 2.962 179.299 176.300 0.062 0.000 1.088 220 R CA 0.814 56.948 56.100 0.057 0.000 0.985 220 R CB -0.264 30.067 30.300 0.053 0.000 0.880 220 R HN 0.348 nan 8.270 nan 0.000 0.451 221 A N 1.221 124.078 122.820 0.063 0.000 1.902 221 A HA -0.143 4.154 4.320 -0.039 0.000 0.217 221 A C 2.096 179.717 177.584 0.061 0.000 1.181 221 A CA 1.198 53.272 52.037 0.060 0.000 0.623 221 A CB -0.456 18.580 19.000 0.060 0.000 0.818 221 A HN 0.188 nan 8.150 nan 0.000 0.443 222 L N -1.035 120.232 121.223 0.073 0.000 2.141 222 L HA -0.155 4.161 4.340 -0.039 0.000 0.209 222 L C 2.564 179.483 176.870 0.082 0.000 1.094 222 L CA 1.453 56.344 54.840 0.085 0.000 0.763 222 L CB -0.334 41.797 42.059 0.120 0.000 0.908 222 L HN 0.467 nan 8.230 nan 0.000 0.437 223 E N -0.564 119.682 120.200 0.077 0.000 2.106 223 E HA -0.274 4.053 4.350 -0.039 0.000 0.192 223 E C 2.153 178.803 176.600 0.083 0.000 0.984 223 E CA 0.896 57.343 56.400 0.078 0.000 0.806 223 E CB 0.095 29.837 29.700 0.070 0.000 0.750 223 E HN 0.433 nan 8.360 nan 0.000 0.458 224 Q N 0.011 119.856 119.800 0.076 0.000 2.119 224 Q HA -0.149 4.168 4.340 -0.039 0.000 0.201 224 Q C 2.020 178.066 176.000 0.076 0.000 0.972 224 Q CA 1.331 57.181 55.803 0.078 0.000 0.847 224 Q CB -0.062 28.717 28.738 0.067 0.000 0.903 224 Q HN 0.242 nan 8.270 nan 0.000 0.433 225 A N 0.457 123.314 122.820 0.063 0.000 1.902 225 A HA -0.260 4.037 4.320 -0.039 0.000 0.217 225 A C 1.935 179.556 177.584 0.061 0.000 1.181 225 A CA 1.674 53.742 52.037 0.051 0.000 0.623 225 A CB -0.560 18.460 19.000 0.033 0.000 0.818 225 A HN 0.511 nan 8.150 nan 0.000 0.443 226 Q N -0.865 118.980 119.800 0.074 0.000 2.050 226 Q HA -0.225 4.091 4.340 -0.039 0.000 0.202 226 Q C 2.285 178.341 176.000 0.094 0.000 0.980 226 Q CA 1.771 57.621 55.803 0.079 0.000 0.840 226 Q CB -0.202 28.587 28.738 0.085 0.000 0.898 226 Q HN 0.762 nan 8.270 nan 0.000 0.424 227 Q N -0.344 119.529 119.800 0.123 0.000 2.291 227 Q HA -0.109 4.207 4.340 -0.039 0.000 0.205 227 Q C 1.908 178.012 176.000 0.173 0.000 0.970 227 Q CA 1.004 56.919 55.803 0.187 0.000 0.876 227 Q CB -0.025 28.831 28.738 0.196 0.000 0.935 227 Q HN 0.378 nan 8.270 nan 0.000 0.455 228 A N 0.999 123.880 122.820 0.101 0.000 1.872 228 A HA -0.194 4.103 4.320 -0.039 0.000 0.214 228 A C 1.738 179.318 177.584 -0.006 0.000 1.187 228 A CA 1.293 53.358 52.037 0.047 0.000 0.614 228 A CB -0.260 18.767 19.000 0.044 0.000 0.826 228 A HN 0.317 nan 8.150 nan 0.000 0.442 229 E N -0.086 120.122 120.200 0.012 0.000 2.150 229 E HA -0.117 4.210 4.350 -0.039 0.000 0.193 229 E C 1.800 178.372 176.600 -0.047 0.000 0.985 229 E CA 1.055 57.447 56.400 -0.013 0.000 0.814 229 E CB -0.299 29.404 29.700 0.005 0.000 0.752 229 E HN 0.682 nan 8.360 nan 0.000 0.466 230 I N 0.499 121.064 120.570 -0.009 0.000 2.127 230 I HA -0.261 3.885 4.170 -0.039 0.000 0.241 230 I C 2.511 178.551 176.117 -0.129 0.000 1.075 230 I CA 0.907 62.203 61.300 -0.007 0.000 1.334 230 I CB -0.268 37.803 38.000 0.119 0.000 1.040 230 I HN 0.047 nan 8.210 nan 0.000 0.405 231 V N 0.263 119.992 119.914 -0.308 0.000 2.515 231 V HA -0.252 3.844 4.120 -0.039 0.000 0.250 231 V C 2.415 178.294 176.094 -0.359 0.000 1.058 231 V CA 2.499 64.401 62.300 -0.664 0.000 1.064 231 V CB -0.335 30.629 31.823 -1.432 0.000 0.675 231 V HN 0.475 nan 8.190 nan 0.000 0.461 232 T N 0.400 114.821 114.554 -0.222 0.000 2.788 232 T HA -0.114 4.212 4.350 -0.039 0.000 0.268 232 T C 1.946 176.573 174.700 -0.123 0.000 1.044 232 T CA 1.544 63.566 62.100 -0.130 0.000 1.139 232 T CB -0.399 68.433 68.868 -0.058 0.000 0.867 232 T HN 0.654 nan 8.240 nan 0.000 0.454 233 A N 1.296 124.027 122.820 -0.148 0.000 1.898 233 A HA 0.026 4.322 4.320 -0.039 0.000 0.216 233 A C 2.217 179.726 177.584 -0.125 0.000 1.181 233 A CA 1.228 53.167 52.037 -0.164 0.000 0.620 233 A CB -0.758 18.143 19.000 -0.165 0.000 0.819 233 A HN 0.427 nan 8.150 nan 0.000 0.442 234 L N -0.532 120.619 121.223 -0.121 0.000 2.012 234 L HA -0.138 4.178 4.340 -0.039 0.000 0.210 234 L C 2.224 179.048 176.870 -0.077 0.000 1.073 234 L CA 2.263 57.051 54.840 -0.086 0.000 0.748 234 L CB -0.708 41.298 42.059 -0.087 0.000 0.891 234 L HN 0.326 nan 8.230 nan 0.000 0.431 235 L N -0.349 120.811 121.223 -0.104 0.000 2.042 235 L HA -0.197 4.119 4.340 -0.039 0.000 0.210 235 L C 2.385 179.236 176.870 -0.032 0.000 1.076 235 L CA 1.872 56.668 54.840 -0.073 0.000 0.749 235 L CB -0.640 41.365 42.059 -0.091 0.000 0.893 235 L HN 0.362 nan 8.230 nan 0.000 0.432 236 I N -0.554 119.995 120.570 -0.035 0.000 2.208 236 I HA -0.301 3.845 4.170 -0.039 0.000 0.245 236 I C 2.369 178.474 176.117 -0.019 0.000 1.097 236 I CA 1.583 62.880 61.300 -0.006 0.000 1.363 236 I CB -0.318 37.669 38.000 -0.023 0.000 1.051 236 I HN 0.381 nan 8.210 nan 0.000 0.413 237 E N 0.708 120.881 120.200 -0.045 0.000 2.152 237 E HA -0.159 4.168 4.350 -0.039 0.000 0.192 237 E C 2.316 178.897 176.600 -0.032 0.000 0.983 237 E CA 1.065 57.436 56.400 -0.047 0.000 0.818 237 E CB -0.113 29.548 29.700 -0.066 0.000 0.758 237 E HN 0.506 nan 8.360 nan 0.000 0.467 238 A N 1.341 124.148 122.820 -0.022 0.000 1.902 238 A HA -0.136 4.161 4.320 -0.039 0.000 0.217 238 A C 2.441 180.030 177.584 0.008 0.000 1.181 238 A CA 1.597 53.629 52.037 -0.008 0.000 0.623 238 A CB -0.614 18.382 19.000 -0.007 0.000 0.818 238 A HN 0.239 nan 8.150 nan 0.000 0.443 239 V N -4.583 115.347 119.914 0.028 0.000 3.623 239 V HA 0.238 4.334 4.120 -0.039 0.000 0.271 239 V C 0.782 176.885 176.094 0.015 0.000 1.248 239 V CA 0.601 62.949 62.300 0.079 0.000 1.156 239 V CB -1.076 30.871 31.823 0.207 0.000 0.870 239 V HN 0.530 nan 8.190 nan 0.000 0.453 240 R N 0.139 120.630 120.500 -0.015 0.000 3.418 240 R HA -0.118 4.199 4.340 -0.039 0.000 0.274 240 R C 0.872 177.130 176.300 -0.071 0.000 1.108 240 R CA 0.421 56.497 56.100 -0.041 0.000 0.741 240 R CB -2.043 28.233 30.300 -0.040 0.000 1.223 240 R HN 0.810 nan 8.270 nan 0.000 0.434 241 G N 0.312 109.081 108.800 -0.052 0.000 2.683 241 G HA2 0.248 4.184 3.960 -0.039 0.000 0.260 241 G HA3 0.248 4.184 3.960 -0.039 0.000 0.260 241 G C 0.185 175.086 174.900 0.002 0.000 1.238 241 G CA 0.201 45.270 45.100 -0.052 0.000 0.934 241 G HN 0.203 nan 8.290 nan 0.000 0.534 242 S N -2.263 113.458 115.700 0.034 0.000 2.652 242 S HA 0.404 4.851 4.470 -0.039 0.000 0.270 242 S C 1.454 176.160 174.600 0.176 0.000 1.243 242 S CA 0.339 58.585 58.200 0.076 0.000 0.999 242 S CB 1.268 64.508 63.200 0.067 0.000 0.973 242 S HN 0.995 nan 8.310 nan 0.000 0.544 243 T N -0.498 114.162 114.554 0.176 0.000 3.023 243 T HA 0.125 4.452 4.350 -0.039 0.000 0.253 243 T C 1.833 176.693 174.700 0.267 0.000 1.038 243 T CA 0.600 62.873 62.100 0.289 0.000 0.962 243 T CB -0.318 68.642 68.868 0.153 0.000 1.018 243 T HN 0.483 nan 8.240 nan 0.000 0.521 244 S N 2.870 118.655 115.700 0.141 0.000 2.374 244 S HA -0.029 4.417 4.470 -0.039 0.000 0.227 244 S C -0.727 173.871 174.600 -0.003 0.000 1.037 244 S CA 1.282 59.524 58.200 0.069 0.000 1.024 244 S CB -1.206 62.026 63.200 0.052 0.000 0.861 244 S HN 0.421 nan 8.310 nan 0.000 0.456 245 P HA 0.027 nan 4.420 nan 0.000 0.231 245 P C 0.116 177.124 177.300 -0.486 0.000 1.158 245 P CA 0.858 63.728 63.100 -0.383 0.000 0.763 245 P CB -0.152 31.158 31.700 -0.650 0.000 0.805 246 F N -2.136 117.851 119.950 0.063 0.000 2.683 246 F HA 0.223 4.726 4.527 -0.040 0.000 0.306 246 F C 0.847 176.611 175.800 -0.059 0.000 1.102 246 F CA -0.574 57.407 58.000 -0.032 0.000 1.244 246 F CB -0.424 38.542 39.000 -0.055 0.000 1.029 246 F HN -0.286 nan 8.300 nan 0.000 0.545 247 L N 0.476 121.787 121.223 0.146 0.000 2.453 247 L HA 0.194 4.510 4.340 -0.039 0.000 0.272 247 L C 1.687 178.629 176.870 0.120 0.000 1.182 247 L CA -0.201 54.702 54.840 0.105 0.000 0.858 247 L CB 0.558 42.665 42.059 0.079 0.000 1.120 247 L HN 0.218 nan 8.230 nan 0.000 0.474 248 A N 2.471 125.332 122.820 0.069 0.000 1.978 248 A HA -0.182 4.114 4.320 -0.039 0.000 0.220 248 A C 2.006 179.674 177.584 0.139 0.000 1.170 248 A CA 1.573 53.655 52.037 0.075 0.000 0.636 248 A CB -0.392 18.629 19.000 0.037 0.000 0.810 248 A HN 0.927 nan 8.150 nan 0.000 0.448 249 E N -0.185 120.074 120.200 0.100 0.000 2.130 249 E HA -0.113 4.213 4.350 -0.039 0.000 0.196 249 E C 1.924 178.562 176.600 0.064 0.000 0.998 249 E CA 1.242 57.681 56.400 0.064 0.000 0.806 249 E CB -0.625 29.091 29.700 0.028 0.000 0.738 249 E HN 0.553 nan 8.360 nan 0.000 0.459 250 G N -0.837 108.025 108.800 0.103 0.000 2.598 250 G HA2 -0.157 3.780 3.960 -0.039 0.000 0.215 250 G HA3 -0.157 3.780 3.960 -0.039 0.000 0.215 250 G C 0.676 175.431 174.900 -0.242 0.000 1.131 250 G CA 0.818 45.871 45.100 -0.078 0.000 0.785 250 G HN 0.284 nan 8.290 nan 0.000 0.539 251 H N -0.624 118.443 119.070 -0.004 0.000 2.143 251 H HA 0.185 4.718 4.556 -0.039 0.000 0.238 251 H C 1.679 177.016 175.328 0.014 0.000 0.914 251 H CA 0.237 56.294 56.048 0.014 0.000 1.154 251 H CB -0.306 29.474 29.762 0.030 0.000 1.359 251 H HN 0.059 nan 8.280 nan 0.000 0.493 252 D N 0.553 121.057 120.400 0.173 0.000 2.228 252 D HA -0.101 4.515 4.640 -0.039 0.000 0.203 252 D C 1.461 177.789 176.300 0.048 0.000 0.988 252 D CA 1.416 55.468 54.000 0.086 0.000 0.864 252 D CB 0.223 41.061 40.800 0.062 0.000 0.928 252 D HN 0.416 nan 8.370 nan 0.000 0.469 253 I N -0.548 120.047 120.570 0.041 0.000 3.523 253 I HA 0.113 4.259 4.170 -0.039 0.000 0.244 253 I C 2.284 178.393 176.117 -0.012 0.000 1.110 253 I CA 0.335 61.640 61.300 0.009 0.000 1.517 253 I CB -0.532 37.472 38.000 0.006 0.000 1.505 253 I HN -0.131 nan 8.210 nan 0.000 0.460 254 A N 0.958 123.763 122.820 -0.026 0.000 1.873 254 A HA -0.125 4.171 4.320 -0.039 0.000 0.218 254 A C 1.709 179.258 177.584 -0.059 0.000 1.193 254 A CA 1.557 53.561 52.037 -0.055 0.000 0.629 254 A CB -0.372 18.575 19.000 -0.088 0.000 0.826 254 A HN 0.367 nan 8.150 nan 0.000 0.447 255 R N -0.166 120.300 120.500 -0.056 0.000 2.443 255 R HA 0.241 4.557 4.340 -0.039 0.000 0.287 255 R C -2.619 173.687 176.300 0.010 0.000 1.425 255 R CA -1.744 54.341 56.100 -0.026 0.000 1.300 255 R CB 1.230 31.524 30.300 -0.010 0.000 1.129 255 R HN 0.226 nan 8.270 nan 0.000 0.577 256 P HA -0.054 nan 4.420 nan 0.000 0.269 256 P C -0.671 176.596 177.300 -0.055 0.000 1.601 256 P CA 0.112 63.191 63.100 -0.035 0.000 0.831 256 P CB -0.098 31.564 31.700 -0.064 0.000 1.688 257 H N 0.878 119.973 119.070 0.041 0.000 2.878 257 H HA 0.025 4.557 4.556 -0.039 0.000 0.290 257 H C 1.436 176.814 175.328 0.083 0.000 1.065 257 H CA 0.342 56.420 56.048 0.050 0.000 1.477 257 H CB 1.012 30.795 29.762 0.035 0.000 1.484 257 H HN 0.313 nan 8.280 nan 0.000 0.504 258 E N 3.469 123.793 120.200 0.207 0.000 2.045 258 E HA -0.231 4.096 4.350 -0.039 0.000 0.212 258 E C 2.082 178.832 176.600 0.249 0.000 1.039 258 E CA 1.840 58.361 56.400 0.202 0.000 0.860 258 E CB -0.338 29.493 29.700 0.218 0.000 0.776 258 E HN 0.882 nan 8.360 nan 0.000 0.467 259 G N 0.206 109.173 108.800 0.278 0.000 2.505 259 G HA2 -0.413 3.523 3.960 -0.039 0.000 0.220 259 G HA3 -0.413 3.523 3.960 -0.039 0.000 0.220 259 G C 1.523 176.506 174.900 0.139 0.000 1.145 259 G CA 1.154 46.365 45.100 0.184 0.000 0.761 259 G HN 0.464 nan 8.290 nan 0.000 0.571 260 Q N -0.229 119.663 119.800 0.154 0.000 2.084 260 Q HA -0.050 4.266 4.340 -0.039 0.000 0.202 260 Q C 2.580 178.689 176.000 0.182 0.000 0.978 260 Q CA 1.202 57.111 55.803 0.177 0.000 0.844 260 Q CB -0.204 28.666 28.738 0.220 0.000 0.898 260 Q HN 0.599 nan 8.270 nan 0.000 0.426 261 I N 0.984 121.656 120.570 0.170 0.000 2.226 261 I HA -0.278 3.869 4.170 -0.039 0.000 0.245 261 I C 1.573 177.726 176.117 0.061 0.000 1.100 261 I CA 1.181 62.545 61.300 0.107 0.000 1.374 261 I CB -0.286 37.779 38.000 0.108 0.000 1.057 261 I HN 0.222 nan 8.210 nan 0.000 0.413 262 D N 0.473 120.935 120.400 0.103 0.000 2.092 262 D HA -0.166 4.450 4.640 -0.039 0.000 0.193 262 D C 2.202 178.543 176.300 0.068 0.000 0.994 262 D CA 1.672 55.731 54.000 0.098 0.000 0.828 262 D CB -0.724 40.181 40.800 0.174 0.000 0.963 262 D HN 0.191 nan 8.370 nan 0.000 0.450 263 T N 0.566 115.166 114.554 0.077 0.000 2.652 263 T HA -0.180 4.146 4.350 -0.039 0.000 0.267 263 T C 1.997 176.726 174.700 0.048 0.000 1.039 263 T CA 1.872 64.012 62.100 0.065 0.000 1.153 263 T CB -0.494 68.424 68.868 0.083 0.000 0.863 263 T HN 0.234 nan 8.240 nan 0.000 0.428 264 A N 1.348 124.171 122.820 0.004 0.000 1.908 264 A HA 0.042 4.339 4.320 -0.039 0.000 0.218 264 A C 2.628 180.184 177.584 -0.047 0.000 1.181 264 A CA 2.113 54.110 52.037 -0.067 0.000 0.627 264 A CB -1.146 17.520 19.000 -0.556 0.000 0.818 264 A HN 0.537 nan 8.150 nan 0.000 0.445 265 A N -0.148 122.644 122.820 -0.045 0.000 1.898 265 A HA -0.178 4.119 4.320 -0.039 0.000 0.216 265 A C 1.926 179.494 177.584 -0.027 0.000 1.181 265 A CA 1.909 53.929 52.037 -0.028 0.000 0.620 265 A CB -0.644 18.351 19.000 -0.008 0.000 0.819 265 A HN 0.530 nan 8.150 nan 0.000 0.442 266 N N -0.564 118.127 118.700 -0.015 0.000 2.166 266 N HA -0.096 4.621 4.740 -0.039 0.000 0.186 266 N C 1.660 177.128 175.510 -0.070 0.000 1.019 266 N CA 1.474 54.511 53.050 -0.021 0.000 0.856 266 N CB -0.292 38.199 38.487 0.006 0.000 0.993 266 N HN 0.352 nan 8.380 nan 0.000 0.426 267 M N 0.195 119.727 119.600 -0.114 0.000 2.156 267 M HA 0.013 4.469 4.480 -0.039 0.000 0.264 267 M C 1.864 177.996 176.300 -0.280 0.000 1.067 267 M CA 1.041 56.174 55.300 -0.277 0.000 1.131 267 M CB -0.791 31.497 32.600 -0.519 0.000 1.368 267 M HN 0.137 nan 8.290 nan 0.000 0.416 268 R N 0.024 120.422 120.500 -0.170 0.000 2.091 268 R HA -0.105 4.211 4.340 -0.039 0.000 0.238 268 R C 2.261 178.508 176.300 -0.089 0.000 1.136 268 R CA 1.683 57.719 56.100 -0.107 0.000 0.959 268 R CB -0.488 29.789 30.300 -0.039 0.000 0.856 268 R HN 0.386 nan 8.270 nan 0.000 0.437 269 A N 0.998 123.775 122.820 -0.071 0.000 1.897 269 A HA -0.074 4.222 4.320 -0.039 0.000 0.215 269 A C 2.182 179.730 177.584 -0.060 0.000 1.181 269 A CA 0.851 52.858 52.037 -0.051 0.000 0.620 269 A CB -0.449 18.532 19.000 -0.031 0.000 0.821 269 A HN 0.173 nan 8.150 nan 0.000 0.443 270 L N -0.767 120.409 121.223 -0.078 0.000 2.127 270 L HA -0.139 4.178 4.340 -0.039 0.000 0.211 270 L C 2.015 178.829 176.870 -0.092 0.000 1.089 270 L CA 1.161 55.955 54.840 -0.077 0.000 0.757 270 L CB -0.296 41.708 42.059 -0.091 0.000 0.899 270 L HN 0.443 nan 8.230 nan 0.000 0.434 271 M N -0.920 118.606 119.600 -0.123 0.000 2.475 271 M HA 0.101 4.558 4.480 -0.039 0.000 0.261 271 M C 0.432 176.682 176.300 -0.084 0.000 1.177 271 M CA -0.029 55.200 55.300 -0.119 0.000 0.979 271 M CB 0.050 32.549 32.600 -0.168 0.000 1.482 271 M HN 0.044 nan 8.290 nan 0.000 0.484 272 R N 1.882 122.342 120.500 -0.067 0.000 2.401 272 R HA 0.227 4.543 4.340 -0.039 0.000 0.299 272 R C 0.456 176.728 176.300 -0.047 0.000 1.064 272 R CA 1.008 57.079 56.100 -0.049 0.000 1.000 272 R CB 0.236 30.514 30.300 -0.038 0.000 0.973 272 R HN 0.596 nan 8.270 nan 0.000 0.438 273 G N 2.775 111.549 108.800 -0.043 0.000 2.248 273 G HA2 -0.242 3.695 3.960 -0.039 0.000 0.252 273 G HA3 -0.242 3.695 3.960 -0.039 0.000 0.252 273 G C -0.316 174.549 174.900 -0.058 0.000 1.085 273 G CA 0.379 45.452 45.100 -0.045 0.000 0.845 273 G HN 0.641 nan 8.290 nan 0.000 0.494 274 S N -1.079 114.586 115.700 -0.058 0.000 2.475 274 S HA 0.677 5.124 4.470 -0.039 0.000 0.298 274 S C 1.297 175.863 174.600 -0.057 0.000 1.119 274 S CA 0.561 58.720 58.200 -0.068 0.000 1.085 274 S CB 1.404 64.560 63.200 -0.072 0.000 1.028 274 S HN 1.267 nan 8.310 nan 0.000 0.489 275 G N 3.150 111.912 108.800 -0.063 0.000 3.233 275 G HA2 0.201 4.137 3.960 -0.039 0.000 0.234 275 G HA3 0.201 4.137 3.960 -0.039 0.000 0.234 275 G C 0.797 175.670 174.900 -0.046 0.000 1.137 275 G CA -0.059 45.011 45.100 -0.050 0.000 0.763 275 G HN 0.624 nan 8.290 nan 0.000 0.549 276 L N 0.729 121.921 121.223 -0.052 0.000 2.269 276 L HA 0.146 4.462 4.340 -0.039 0.000 0.200 276 L C 1.905 178.753 176.870 -0.037 0.000 1.069 276 L CA 0.668 55.481 54.840 -0.045 0.000 0.804 276 L CB -0.700 41.328 42.059 -0.052 0.000 0.987 276 L HN 0.215 nan 8.230 nan 0.000 0.468 277 T N 0.300 114.832 114.554 -0.037 0.000 2.932 277 T HA 0.294 4.620 4.350 -0.039 0.000 0.312 277 T C -0.156 174.535 174.700 -0.015 0.000 1.071 277 T CA -0.535 61.551 62.100 -0.024 0.000 1.128 277 T CB 0.997 69.851 68.868 -0.024 0.000 0.984 277 T HN 0.085 nan 8.240 nan 0.000 0.549 278 V N -0.440 119.471 119.914 -0.005 0.000 2.960 278 V HA 0.762 4.858 4.120 -0.039 0.000 0.315 278 V C -0.427 175.681 176.094 0.023 0.000 1.087 278 V CA -1.287 61.012 62.300 -0.002 0.000 0.982 278 V CB 1.662 33.474 31.823 -0.017 0.000 1.039 278 V HN 1.131 nan 8.190 nan 0.000 0.437 279 E N 0.857 121.073 120.200 0.026 0.000 2.222 279 E HA 0.298 4.625 4.350 -0.039 0.000 0.272 279 E C 0.867 177.506 176.600 0.066 0.000 0.982 279 E CA -0.605 55.830 56.400 0.058 0.000 0.842 279 E CB 1.136 30.868 29.700 0.054 0.000 1.144 279 E HN 0.914 nan 8.360 nan 0.000 0.397 280 H N 3.482 122.559 119.070 0.011 0.000 2.321 280 H HA -0.238 4.294 4.556 -0.039 0.000 0.295 280 H C 1.362 176.691 175.328 0.002 0.000 1.102 280 H CA 2.262 58.313 56.048 0.005 0.000 1.266 280 H CB 0.034 29.799 29.762 0.006 0.000 1.363 280 H HN 0.605 nan 8.280 nan 0.000 0.492 281 A N 0.505 123.366 122.820 0.069 0.000 2.139 281 A HA -0.165 4.131 4.320 -0.039 0.000 0.221 281 A C 1.997 179.545 177.584 -0.060 0.000 1.159 281 A CA 1.786 53.829 52.037 0.010 0.000 0.662 281 A CB -0.215 18.817 19.000 0.054 0.000 0.796 281 A HN 0.578 nan 8.150 nan 0.000 0.463 282 D N -0.662 119.699 120.400 -0.065 0.000 2.259 282 D HA 0.056 4.672 4.640 -0.039 0.000 0.216 282 D C 1.958 178.201 176.300 -0.095 0.000 0.961 282 D CA 0.427 54.390 54.000 -0.061 0.000 0.878 282 D CB -0.100 40.680 40.800 -0.034 0.000 1.009 282 D HN 0.418 nan 8.370 nan 0.000 0.490 283 L N 1.503 122.644 121.223 -0.136 0.000 2.017 283 L HA -0.148 4.168 4.340 -0.039 0.000 0.208 283 L C 2.785 179.545 176.870 -0.184 0.000 1.073 283 L CA 1.173 55.926 54.840 -0.145 0.000 0.745 283 L CB -0.233 41.740 42.059 -0.143 0.000 0.894 283 L HN 0.021 nan 8.230 nan 0.000 0.432 284 R N -0.149 120.167 120.500 -0.307 0.000 2.115 284 R HA -0.158 4.159 4.340 -0.039 0.000 0.230 284 R C 2.230 178.453 176.300 -0.129 0.000 1.111 284 R CA 1.097 57.051 56.100 -0.244 0.000 0.976 284 R CB -0.452 29.652 30.300 -0.327 0.000 0.870 284 R HN 0.240 nan 8.270 nan 0.000 0.445 285 R N 0.850 121.283 120.500 -0.111 0.000 2.075 285 R HA -0.128 4.188 4.340 -0.039 0.000 0.232 285 R C 2.360 178.627 176.300 -0.056 0.000 1.126 285 R CA 1.863 57.923 56.100 -0.065 0.000 0.963 285 R CB -0.165 30.104 30.300 -0.051 0.000 0.858 285 R HN 0.538 nan 8.270 nan 0.000 0.435 286 E N 0.556 120.719 120.200 -0.062 0.000 2.216 286 E HA -0.136 4.190 4.350 -0.039 0.000 0.192 286 E C 1.827 178.397 176.600 -0.049 0.000 0.988 286 E CA 0.597 56.968 56.400 -0.048 0.000 0.834 286 E CB 0.093 29.766 29.700 -0.045 0.000 0.772 286 E HN 0.304 nan 8.360 nan 0.000 0.479 287 L N 0.574 121.759 121.223 -0.063 0.000 2.049 287 L HA -0.107 4.210 4.340 -0.039 0.000 0.203 287 L C 2.840 179.681 176.870 -0.048 0.000 1.074 287 L CA 1.350 56.155 54.840 -0.060 0.000 0.749 287 L CB -0.203 41.813 42.059 -0.072 0.000 0.907 287 L HN 0.240 nan 8.230 nan 0.000 0.439 288 Q N 0.241 120.013 119.800 -0.047 0.000 2.368 288 Q HA -0.224 4.093 4.340 -0.039 0.000 0.210 288 Q C 1.756 177.739 176.000 -0.029 0.000 0.982 288 Q CA 1.504 57.286 55.803 -0.035 0.000 0.884 288 Q CB 0.176 28.894 28.738 -0.032 0.000 0.933 288 Q HN 0.375 nan 8.270 nan 0.000 0.460 289 K N -0.657 119.725 120.400 -0.031 0.000 2.284 289 K HA -0.020 4.277 4.320 -0.039 0.000 0.198 289 K C 1.292 177.878 176.600 -0.023 0.000 1.048 289 K CA 0.981 57.253 56.287 -0.024 0.000 0.987 289 K CB 0.216 32.702 32.500 -0.024 0.000 0.800 289 K HN 0.200 nan 8.250 nan 0.000 0.486 290 D N 1.455 121.838 120.400 -0.028 0.000 2.224 290 D HA -0.073 4.544 4.640 -0.039 0.000 0.205 290 D C 0.982 177.266 176.300 -0.026 0.000 0.965 290 D CA 0.889 54.872 54.000 -0.027 0.000 0.852 290 D CB 0.271 41.051 40.800 -0.033 0.000 0.947 290 D HN -0.047 nan 8.370 nan 0.000 0.494 291 K N 0.900 121.284 120.400 -0.028 0.000 2.643 291 K HA -0.078 4.219 4.320 -0.039 0.000 0.193 291 K C 1.548 178.136 176.600 -0.020 0.000 1.027 291 K CA 0.205 56.477 56.287 -0.025 0.000 1.033 291 K CB -0.008 32.476 32.500 -0.026 0.000 0.827 291 K HN 0.319 nan 8.250 nan 0.000 0.500 292 E N 1.029 121.218 120.200 -0.018 0.000 2.339 292 E HA -0.189 4.137 4.350 -0.039 0.000 0.201 292 E C 0.255 176.847 176.600 -0.013 0.000 1.015 292 E CA 0.783 57.174 56.400 -0.014 0.000 0.841 292 E CB -0.170 29.523 29.700 -0.013 0.000 0.754 292 E HN 0.233 nan 8.360 nan 0.000 0.508 293 A N 0.796 123.607 122.820 -0.014 0.000 2.507 293 A HA 0.331 4.627 4.320 -0.039 0.000 0.235 293 A C 1.587 179.164 177.584 -0.011 0.000 1.070 293 A CA 0.424 52.454 52.037 -0.012 0.000 0.768 293 A CB 0.012 19.004 19.000 -0.014 0.000 1.011 293 A HN 0.269 nan 8.150 nan 0.000 0.502 294 G N 0.267 109.061 108.800 -0.010 0.000 2.631 294 G HA2 -0.085 3.851 3.960 -0.039 0.000 0.219 294 G HA3 -0.085 3.851 3.960 -0.039 0.000 0.219 294 G C 0.740 175.635 174.900 -0.009 0.000 1.214 294 G CA 1.865 46.960 45.100 -0.009 0.000 0.785 294 G HN 0.930 nan 8.290 nan 0.000 0.596 295 K N -2.996 117.398 120.400 -0.010 0.000 2.770 295 K HA 0.296 4.592 4.320 -0.039 0.000 0.289 295 K C -0.623 175.970 176.600 -0.011 0.000 1.051 295 K CA -0.272 56.008 56.287 -0.010 0.000 0.814 295 K CB 0.623 33.118 32.500 -0.009 0.000 1.512 295 K HN 0.066 nan 8.250 nan 0.000 0.368 296 D N -1.119 119.274 120.400 -0.011 0.000 3.955 296 D HA -0.211 4.406 4.640 -0.039 0.000 0.142 296 D C -0.374 175.918 176.300 -0.014 0.000 0.877 296 D CA 1.583 55.576 54.000 -0.012 0.000 1.100 296 D CB -1.158 39.636 40.800 -0.010 0.000 0.533 296 D HN 0.236 nan 8.370 nan 0.000 0.546 297 V N 1.972 121.877 119.914 -0.014 0.000 2.415 297 V HA 0.208 4.305 4.120 -0.039 0.000 0.267 297 V C 0.548 176.630 176.094 -0.021 0.000 1.042 297 V CA 0.207 62.496 62.300 -0.017 0.000 1.000 297 V CB 0.423 32.236 31.823 -0.016 0.000 1.015 297 V HN 0.199 nan 8.190 nan 0.000 0.478 298 Q N 4.991 124.776 119.800 -0.026 0.000 2.316 298 Q HA 0.615 4.932 4.340 -0.039 0.000 0.264 298 Q C -0.760 175.216 176.000 -0.041 0.000 0.987 298 Q CA -0.744 55.041 55.803 -0.030 0.000 0.852 298 Q CB 2.325 31.045 28.738 -0.030 0.000 1.287 298 Q HN 0.648 nan 8.270 nan 0.000 0.448 299 R N 1.230 121.705 120.500 -0.041 0.000 2.229 299 R HA 0.434 4.750 4.340 -0.039 0.000 0.332 299 R C -0.622 175.641 176.300 -0.062 0.000 0.989 299 R CA -0.267 55.801 56.100 -0.053 0.000 0.842 299 R CB 1.634 31.910 30.300 -0.040 0.000 1.119 299 R HN 0.446 nan 8.270 nan 0.000 0.456 300 S N 0.960 116.603 115.700 -0.095 0.000 2.568 300 S HA 0.187 4.634 4.470 -0.039 0.000 0.302 300 S C 0.530 175.050 174.600 -0.134 0.000 1.082 300 S CA -0.729 57.411 58.200 -0.100 0.000 1.009 300 S CB 1.357 64.493 63.200 -0.107 0.000 1.069 300 S HN 0.633 nan 8.310 nan 0.000 0.500 301 E N 1.812 121.965 120.200 -0.077 0.000 2.489 301 E HA 0.113 4.439 4.350 -0.039 0.000 0.193 301 E C 0.467 177.057 176.600 -0.016 0.000 1.057 301 E CA 0.111 56.493 56.400 -0.031 0.000 0.866 301 E CB 0.113 29.830 29.700 0.028 0.000 0.916 301 E HN 0.660 nan 8.360 nan 0.000 0.500 302 I N -1.599 118.920 120.570 -0.085 0.000 2.385 302 I HA 0.285 4.432 4.170 -0.039 0.000 0.294 302 I C -1.044 174.994 176.117 -0.132 0.000 0.988 302 I CA -0.888 60.392 61.300 -0.033 0.000 1.265 302 I CB 0.668 38.648 38.000 -0.034 0.000 1.388 302 I HN -0.223 nan 8.210 nan 0.000 0.480 303 Y N 5.946 126.231 120.300 -0.025 0.000 2.385 303 Y HA 0.275 4.802 4.550 -0.038 0.000 0.341 303 Y C 0.732 176.615 175.900 -0.030 0.000 0.965 303 Y CA -0.645 57.448 58.100 -0.012 0.000 1.180 303 Y CB 1.727 40.192 38.460 0.008 0.000 1.139 303 Y HN 0.609 nan 8.280 nan 0.000 0.502 304 L N 2.146 123.416 121.223 0.077 0.000 2.261 304 L HA -0.146 4.170 4.340 -0.039 0.000 0.216 304 L C 0.541 177.472 176.870 0.103 0.000 1.114 304 L CA 1.812 56.685 54.840 0.056 0.000 0.777 304 L CB -0.503 41.586 42.059 0.050 0.000 0.910 304 L HN 0.715 nan 8.230 nan 0.000 0.440 305 Q N -2.181 117.703 119.800 0.139 0.000 3.019 305 Q HA 0.455 4.772 4.340 -0.039 0.000 0.337 305 Q C -0.943 175.123 176.000 0.109 0.000 0.900 305 Q CA -1.045 54.827 55.803 0.115 0.000 0.800 305 Q CB 1.718 30.525 28.738 0.116 0.000 1.437 305 Q HN -0.175 nan 8.270 nan 0.000 0.505 306 K N -0.340 120.117 120.400 0.094 0.000 2.480 306 K HA 0.653 4.949 4.320 -0.039 0.000 0.258 306 K C -1.187 175.511 176.600 0.163 0.000 0.990 306 K CA -0.747 55.601 56.287 0.101 0.000 0.857 306 K CB 1.480 34.010 32.500 0.050 0.000 1.384 306 K HN 0.739 nan 8.250 nan 0.000 0.446 307 A N 0.655 123.576 122.820 0.168 0.000 2.507 307 A HA 0.053 4.350 4.320 -0.039 0.000 0.235 307 A C 0.476 178.215 177.584 0.258 0.000 1.070 307 A CA 0.258 52.386 52.037 0.152 0.000 0.768 307 A CB -0.263 18.767 19.000 0.050 0.000 1.011 307 A HN 0.616 nan 8.150 nan 0.000 0.502 308 Y N 1.411 121.717 120.300 0.011 0.000 2.181 308 Y HA -0.260 4.266 4.550 -0.040 0.000 0.284 308 Y C 2.828 178.733 175.900 0.008 0.000 1.179 308 Y CA 1.755 59.855 58.100 0.001 0.000 1.179 308 Y CB -1.469 36.987 38.460 -0.005 0.000 0.973 308 Y HN 0.704 nan 8.280 nan 0.000 0.519 309 S N -0.398 115.409 115.700 0.178 0.000 2.419 309 S HA -0.129 4.318 4.470 -0.039 0.000 0.235 309 S C 1.457 176.121 174.600 0.108 0.000 1.019 309 S CA 1.281 59.546 58.200 0.107 0.000 0.982 309 S CB -0.472 62.764 63.200 0.060 0.000 0.789 309 S HN 0.470 nan 8.310 nan 0.000 0.490 310 L N -0.312 120.988 121.223 0.128 0.000 3.168 310 L HA 0.482 4.799 4.340 -0.039 0.000 0.277 310 L C 1.630 178.570 176.870 0.117 0.000 1.245 310 L CA -0.137 54.793 54.840 0.149 0.000 1.035 310 L CB 0.301 42.454 42.059 0.157 0.000 1.399 310 L HN 0.124 nan 8.230 nan 0.000 0.580 311 R N 0.380 120.904 120.500 0.039 0.000 2.562 311 R HA 0.305 4.622 4.340 -0.039 0.000 0.191 311 R C 1.300 177.478 176.300 -0.203 0.000 0.835 311 R CA 0.778 56.815 56.100 -0.106 0.000 1.036 311 R CB 0.281 30.553 30.300 -0.045 0.000 1.437 311 R HN 0.105 nan 8.270 nan 0.000 0.654 312 A N 0.857 123.601 122.820 -0.127 0.000 2.640 312 A HA 0.274 4.571 4.320 -0.039 0.000 0.282 312 A C 1.053 178.613 177.584 -0.041 0.000 1.357 312 A CA -0.243 51.708 52.037 -0.143 0.000 0.946 312 A CB -0.533 18.341 19.000 -0.210 0.000 1.065 312 A HN 0.320 nan 8.150 nan 0.000 0.541 313 I N 0.317 120.896 120.570 0.015 0.000 2.226 313 I HA -0.132 4.014 4.170 -0.039 0.000 0.245 313 I C -0.594 175.589 176.117 0.111 0.000 1.100 313 I CA 1.323 62.692 61.300 0.114 0.000 1.374 313 I CB -0.704 37.466 38.000 0.282 0.000 1.057 313 I HN 0.231 nan 8.210 nan 0.000 0.413 314 P HA -0.171 nan 4.420 nan 0.000 0.215 314 P C 1.465 178.821 177.300 0.093 0.000 1.153 314 P CA 1.379 64.569 63.100 0.150 0.000 0.853 314 P CB 0.026 31.880 31.700 0.257 0.000 0.788 315 Q N -0.773 119.047 119.800 0.033 0.000 2.016 315 Q HA -0.095 4.221 4.340 -0.039 0.000 0.200 315 Q C 2.186 178.159 176.000 -0.045 0.000 0.978 315 Q CA 1.378 57.163 55.803 -0.030 0.000 0.833 315 Q CB -1.443 27.244 28.738 -0.085 0.000 0.895 315 Q HN 0.058 nan 8.270 nan 0.000 0.427 316 V N -0.378 119.520 119.914 -0.027 0.000 2.229 316 V HA -0.201 3.895 4.120 -0.039 0.000 0.243 316 V C 2.081 178.164 176.094 -0.018 0.000 1.042 316 V CA 1.562 63.848 62.300 -0.022 0.000 1.000 316 V CB -0.605 31.218 31.823 0.001 0.000 0.637 316 V HN 0.181 nan 8.190 nan 0.000 0.446 317 V N 0.999 120.917 119.914 0.006 0.000 2.720 317 V HA -0.129 3.967 4.120 -0.039 0.000 0.256 317 V C 2.518 178.602 176.094 -0.016 0.000 1.082 317 V CA 1.849 64.152 62.300 0.004 0.000 1.101 317 V CB -1.299 30.543 31.823 0.031 0.000 0.693 317 V HN 0.629 nan 8.190 nan 0.000 0.479 318 G N -0.209 108.587 108.800 -0.006 0.000 2.402 318 G HA2 -0.137 3.799 3.960 -0.039 0.000 0.216 318 G HA3 -0.137 3.799 3.960 -0.039 0.000 0.216 318 G C 1.737 176.593 174.900 -0.072 0.000 1.162 318 G CA 0.875 45.968 45.100 -0.011 0.000 0.777 318 G HN 0.586 nan 8.290 nan 0.000 0.539 319 A N 0.152 122.914 122.820 -0.096 0.000 1.969 319 A HA 0.150 4.446 4.320 -0.039 0.000 0.218 319 A C 2.556 180.074 177.584 -0.110 0.000 1.169 319 A CA 1.580 53.540 52.037 -0.128 0.000 0.635 319 A CB -0.454 18.464 19.000 -0.136 0.000 0.810 319 A HN 0.229 nan 8.150 nan 0.000 0.445 320 V N -0.233 119.627 119.914 -0.089 0.000 2.343 320 V HA -0.253 3.843 4.120 -0.039 0.000 0.247 320 V C 2.611 178.615 176.094 -0.150 0.000 1.051 320 V CA 2.258 64.510 62.300 -0.080 0.000 1.036 320 V CB -0.773 31.023 31.823 -0.045 0.000 0.654 320 V HN 0.529 nan 8.190 nan 0.000 0.451 321 R N -0.176 120.188 120.500 -0.227 0.000 2.073 321 R HA -0.164 4.152 4.340 -0.039 0.000 0.234 321 R C 2.196 177.995 176.300 -0.836 0.000 1.134 321 R CA 1.866 57.652 56.100 -0.523 0.000 0.952 321 R CB -0.415 29.618 30.300 -0.445 0.000 0.850 321 R HN 0.515 nan 8.270 nan 0.000 0.433 322 D N -0.509 119.637 120.400 -0.424 0.000 2.106 322 D HA -0.153 4.463 4.640 -0.039 0.000 0.191 322 D C 1.810 178.081 176.300 -0.048 0.000 0.997 322 D CA 1.899 55.799 54.000 -0.167 0.000 0.834 322 D CB -0.432 40.356 40.800 -0.020 0.000 0.956 322 D HN 0.212 nan 8.370 nan 0.000 0.448 323 T N 1.613 116.142 114.554 -0.041 0.000 2.665 323 T HA -0.149 4.177 4.350 -0.039 0.000 0.268 323 T C 2.224 177.002 174.700 0.129 0.000 1.035 323 T CA 0.751 62.899 62.100 0.080 0.000 1.151 323 T CB -0.392 68.511 68.868 0.058 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.438 324 L N -0.506 120.715 121.223 -0.002 0.000 2.046 324 L HA -0.120 4.197 4.340 -0.039 0.000 0.208 324 L C 2.588 179.568 176.870 0.183 0.000 1.077 324 L CA 1.448 56.314 54.840 0.043 0.000 0.747 324 L CB -0.710 41.322 42.059 -0.046 0.000 0.896 324 L HN 0.271 nan 8.230 nan 0.000 0.432 325 Y N -0.900 119.485 120.300 0.142 0.000 2.145 325 Y HA -0.274 4.253 4.550 -0.039 0.000 0.286 325 Y C 2.756 178.781 175.900 0.208 0.000 1.145 325 Y CA 1.110 59.296 58.100 0.143 0.000 1.148 325 Y CB -1.310 37.223 38.460 0.121 0.000 0.981 325 Y HN 0.273 nan 8.280 nan 0.000 0.507 326 H N -0.170 119.082 119.070 0.302 0.000 2.387 326 H HA -0.141 4.391 4.556 -0.040 0.000 0.299 326 H C 2.098 177.576 175.328 0.249 0.000 1.099 326 H CA 1.161 57.377 56.048 0.281 0.000 1.315 326 H CB 0.191 30.100 29.762 0.244 0.000 1.380 326 H HN 0.331 nan 8.280 nan 0.000 0.513 327 A N 1.226 124.160 122.820 0.191 0.000 1.873 327 A HA -0.146 4.151 4.320 -0.039 0.000 0.215 327 A C 2.516 180.145 177.584 0.075 0.000 1.186 327 A CA 1.269 53.359 52.037 0.088 0.000 0.616 327 A CB -0.618 18.458 19.000 0.126 0.000 0.823 327 A HN 0.407 nan 8.150 nan 0.000 0.442 328 R N -1.142 119.444 120.500 0.144 0.000 2.091 328 R HA -0.210 4.107 4.340 -0.039 0.000 0.238 328 R C 2.176 178.562 176.300 0.143 0.000 1.136 328 R CA 1.831 58.011 56.100 0.135 0.000 0.959 328 R CB -0.555 29.845 30.300 0.167 0.000 0.856 328 R HN 0.854 nan 8.270 nan 0.000 0.437 329 H N 0.325 119.419 119.070 0.041 0.000 2.267 329 H HA -0.125 4.407 4.556 -0.039 0.000 0.297 329 H C 1.570 176.881 175.328 -0.027 0.000 1.080 329 H CA 1.566 57.622 56.048 0.013 0.000 1.278 329 H CB 0.233 30.015 29.762 0.034 0.000 1.365 329 H HN 0.058 nan 8.280 nan 0.000 0.489 330 K N 0.657 120.942 120.400 -0.191 0.000 2.032 330 K HA -0.142 4.155 4.320 -0.039 0.000 0.209 330 K C 2.529 179.060 176.600 -0.115 0.000 1.048 330 K CA 0.897 57.030 56.287 -0.257 0.000 0.927 330 K CB -0.509 31.836 32.500 -0.258 0.000 0.712 330 K HN 0.394 nan 8.250 nan 0.000 0.441 331 L N 0.497 121.692 121.223 -0.048 0.000 2.079 331 L HA -0.181 4.136 4.340 -0.039 0.000 0.210 331 L C 2.868 179.737 176.870 -0.001 0.000 1.081 331 L CA 1.205 56.036 54.840 -0.015 0.000 0.752 331 L CB -0.372 41.694 42.059 0.012 0.000 0.896 331 L HN 0.221 nan 8.230 nan 0.000 0.433 332 R N 0.731 121.245 120.500 0.023 0.000 2.070 332 R HA -0.171 4.145 4.340 -0.039 0.000 0.233 332 R C 2.340 178.652 176.300 0.019 0.000 1.137 332 R CA 1.635 57.758 56.100 0.040 0.000 0.945 332 R CB -0.279 30.074 30.300 0.089 0.000 0.845 332 R HN 0.226 nan 8.270 nan 0.000 0.430 333 I N 0.729 121.296 120.570 -0.005 0.000 2.163 333 I HA -0.271 3.875 4.170 -0.039 0.000 0.243 333 I C 2.451 178.551 176.117 -0.028 0.000 1.085 333 I CA 1.581 62.864 61.300 -0.028 0.000 1.347 333 I CB -0.303 37.634 38.000 -0.104 0.000 1.044 333 I HN 0.316 nan 8.210 nan 0.000 0.408 334 E N 1.263 121.439 120.200 -0.039 0.000 2.051 334 E HA -0.202 4.124 4.350 -0.039 0.000 0.192 334 E C 2.160 178.754 176.600 -0.010 0.000 0.991 334 E CA 1.399 57.782 56.400 -0.027 0.000 0.799 334 E CB -0.332 29.349 29.700 -0.033 0.000 0.748 334 E HN 0.362 nan 8.360 nan 0.000 0.449 335 L N 0.575 121.794 121.223 -0.007 0.000 2.021 335 L HA -0.203 4.113 4.340 -0.039 0.000 0.215 335 L C 0.850 177.721 176.870 0.002 0.000 1.074 335 L CA 1.272 56.111 54.840 -0.002 0.000 0.760 335 L CB -0.378 41.682 42.059 0.002 0.000 0.889 335 L HN 0.155 nan 8.230 nan 0.000 0.433 336 N N 0.596 119.299 118.700 0.005 0.000 3.209 336 N HA 0.094 4.811 4.740 -0.039 0.000 0.309 336 N C -0.554 174.965 175.510 0.016 0.000 1.384 336 N CA 0.162 53.218 53.050 0.010 0.000 1.173 336 N CB 0.509 39.004 38.487 0.013 0.000 1.460 336 N HN 0.230 nan 8.380 nan 0.000 0.534 337 S N -1.675 114.035 115.700 0.017 0.000 2.541 337 S HA 0.593 5.040 4.470 -0.039 0.000 0.271 337 S C -0.430 174.194 174.600 0.039 0.000 1.133 337 S CA -0.969 57.248 58.200 0.028 0.000 0.876 337 S CB 1.958 65.163 63.200 0.008 0.000 1.105 337 S HN 0.154 nan 8.310 nan 0.000 0.470 338 A N 3.031 125.891 122.820 0.066 0.000 3.063 338 A HA 0.261 4.558 4.320 -0.039 0.000 0.263 338 A C 0.773 178.387 177.584 0.050 0.000 1.736 338 A CA -0.797 51.282 52.037 0.070 0.000 1.408 338 A CB -1.286 17.788 19.000 0.123 0.000 1.108 338 A HN 0.775 nan 8.150 nan 0.000 0.621 339 N N 1.683 120.409 118.700 0.042 0.000 2.400 339 N HA 0.169 4.885 4.740 -0.039 0.000 0.278 339 N C -0.835 174.726 175.510 0.085 0.000 1.247 339 N CA 0.193 53.274 53.050 0.053 0.000 0.970 339 N CB 0.670 39.185 38.487 0.047 0.000 1.312 339 N HN 0.528 nan 8.380 nan 0.000 0.488 340 D N 1.015 121.477 120.400 0.104 0.000 2.808 340 D HA 0.366 4.983 4.640 -0.039 0.000 0.294 340 D C -1.977 174.427 176.300 0.173 0.000 1.278 340 D CA -0.542 53.547 54.000 0.147 0.000 0.756 340 D CB 1.255 42.103 40.800 0.080 0.000 1.271 340 D HN 0.501 nan 8.370 nan 0.000 0.425 341 N N 0.061 118.893 118.700 0.220 0.000 2.647 341 N HA 0.445 5.162 4.740 -0.039 0.000 0.259 341 N C -2.946 172.672 175.510 0.179 0.000 1.098 341 N CA -0.870 52.303 53.050 0.205 0.000 0.984 341 N CB 2.751 41.431 38.487 0.321 0.000 1.683 341 N HN 0.107 nan 8.380 nan 0.000 0.501 342 P HA 0.381 nan 4.420 nan 0.000 0.279 342 P C -0.910 176.395 177.300 0.009 0.000 1.276 342 P CA -0.458 62.588 63.100 -0.090 0.000 0.801 342 P CB 1.303 32.751 31.700 -0.420 0.000 1.127 343 L N 0.097 121.384 121.223 0.107 0.000 2.346 343 L HA 0.488 4.804 4.340 -0.039 0.000 0.274 343 L C 0.052 176.881 176.870 -0.070 0.000 1.007 343 L CA -0.978 53.847 54.840 -0.025 0.000 0.818 343 L CB 1.296 43.308 42.059 -0.078 0.000 1.284 343 L HN 0.286 nan 8.230 nan 0.000 0.424 344 F N 2.661 122.370 119.950 -0.400 0.000 2.399 344 F HA 0.631 5.134 4.527 -0.040 0.000 0.334 344 F C -1.187 174.284 175.800 -0.548 0.000 1.097 344 F CA -0.964 56.873 58.000 -0.272 0.000 1.076 344 F CB 0.961 39.879 39.000 -0.137 0.000 1.162 344 F HN 0.091 nan 8.300 nan 0.000 0.495 345 F N 3.917 123.409 119.950 -0.763 0.000 2.617 345 F HA 0.225 4.729 4.527 -0.039 0.000 0.325 345 F C -0.116 175.189 175.800 -0.825 0.000 1.179 345 F CA -1.039 56.548 58.000 -0.688 0.000 0.965 345 F CB 1.360 40.164 39.000 -0.327 0.000 1.232 345 F HN 0.494 nan 8.300 nan 0.000 0.461 346 E N 2.056 121.890 120.200 -0.611 0.000 2.765 346 E HA 0.256 4.583 4.350 -0.039 0.000 0.256 346 E C 1.113 177.678 176.600 -0.058 0.000 0.935 346 E CA 1.352 57.592 56.400 -0.265 0.000 0.954 346 E CB 0.262 29.920 29.700 -0.069 0.000 0.908 346 E HN 0.979 nan 8.360 nan 0.000 0.500 347 G N 3.822 112.649 108.800 0.045 0.000 2.246 347 G HA2 -0.311 3.625 3.960 -0.039 0.000 0.273 347 G HA3 -0.311 3.625 3.960 -0.039 0.000 0.273 347 G C -0.205 174.731 174.900 0.060 0.000 1.055 347 G CA 0.756 45.895 45.100 0.065 0.000 0.851 347 G HN 0.506 nan 8.290 nan 0.000 0.500 348 K N -0.824 119.633 120.400 0.095 0.000 2.556 348 K HA 0.393 4.689 4.320 -0.039 0.000 0.274 348 K C -0.400 176.319 176.600 0.198 0.000 0.966 348 K CA -1.053 55.303 56.287 0.115 0.000 0.865 348 K CB 1.522 34.081 32.500 0.099 0.000 1.444 348 K HN 0.084 nan 8.250 nan 0.000 0.433 349 E N 1.593 121.905 120.200 0.187 0.000 2.383 349 E HA 0.119 4.446 4.350 -0.039 0.000 0.264 349 E C 0.006 176.797 176.600 0.319 0.000 1.050 349 E CA -0.090 56.439 56.400 0.216 0.000 0.896 349 E CB 0.627 30.415 29.700 0.146 0.000 0.982 349 E HN 0.390 nan 8.360 nan 0.000 0.424 350 I N 2.978 123.765 120.570 0.362 0.000 2.821 350 I HA -0.182 3.964 4.170 -0.039 0.000 0.294 350 I C 0.721 177.141 176.117 0.504 0.000 1.210 350 I CA 0.277 61.846 61.300 0.449 0.000 1.430 350 I CB -0.172 38.103 38.000 0.458 0.000 1.356 350 I HN 0.340 nan 8.210 nan 0.000 0.563 351 F N 7.585 127.726 119.950 0.319 0.000 2.506 351 F HA 0.130 4.633 4.527 -0.040 0.000 0.371 351 F C 0.130 176.055 175.800 0.209 0.000 1.078 351 F CA -0.078 58.090 58.000 0.279 0.000 1.195 351 F CB -0.001 39.189 39.000 0.317 0.000 1.099 351 F HN 0.352 nan 8.300 nan 0.000 0.548 352 H N 4.940 123.658 119.070 -0.585 0.000 2.632 352 H HA 0.494 5.026 4.556 -0.039 0.000 0.258 352 H C 0.428 175.308 175.328 -0.747 0.000 1.278 352 H CA -0.128 55.639 56.048 -0.468 0.000 1.352 352 H CB 0.643 30.284 29.762 -0.203 0.000 1.418 352 H HN 0.767 nan 8.280 nan 0.000 0.513 353 G N 0.413 108.729 108.800 -0.806 0.000 3.259 353 G HA2 0.615 4.552 3.960 -0.039 0.000 0.178 353 G HA3 0.615 4.552 3.960 -0.039 0.000 0.178 353 G C -0.918 173.761 174.900 -0.368 0.000 1.129 353 G CA -0.314 44.448 45.100 -0.563 0.000 0.816 353 G HN 0.474 nan 8.290 nan 0.000 0.634 354 A N 0.015 122.583 122.820 -0.420 0.000 3.410 354 A HA 0.466 4.762 4.320 -0.039 0.000 0.276 354 A C 0.277 177.376 177.584 -0.808 0.000 0.995 354 A CA -0.434 50.994 52.037 -1.015 0.000 0.934 354 A CB -0.081 18.616 19.000 -0.505 0.000 1.191 354 A HN 0.296 nan 8.150 nan 0.000 0.511 355 N N 0.186 118.539 118.700 -0.579 0.000 2.398 355 N HA 0.018 4.734 4.740 -0.039 0.000 0.188 355 N C 0.973 176.397 175.510 -0.144 0.000 1.122 355 N CA 0.741 53.660 53.050 -0.219 0.000 0.866 355 N CB -0.141 38.332 38.487 -0.023 0.000 0.970 355 N HN 0.759 nan 8.380 nan 0.000 0.462 356 F N -0.613 119.394 119.950 0.096 0.000 2.615 356 F HA 0.176 4.679 4.527 -0.040 0.000 0.297 356 F C 1.077 176.904 175.800 0.045 0.000 1.124 356 F CA -0.250 57.784 58.000 0.058 0.000 1.451 356 F CB -1.216 37.813 39.000 0.049 0.000 1.103 356 F HN -0.024 nan 8.300 nan 0.000 0.569 357 H N 1.887 121.072 119.070 0.191 0.000 3.046 357 H HA 0.216 4.749 4.556 -0.038 0.000 0.303 357 H C 0.866 176.212 175.328 0.030 0.000 1.002 357 H CA 0.480 56.622 56.048 0.157 0.000 1.460 357 H CB 1.195 30.977 29.762 0.034 0.000 1.493 357 H HN 0.373 nan 8.280 nan 0.000 0.559 358 G N 4.045 112.878 108.800 0.054 0.000 3.678 358 G HA2 -0.056 3.881 3.960 -0.039 0.000 0.287 358 G HA3 -0.056 3.881 3.960 -0.039 0.000 0.287 358 G C 1.177 176.074 174.900 -0.005 0.000 1.280 358 G CA -0.275 44.839 45.100 0.023 0.000 1.118 358 G HN 0.521 nan 8.290 nan 0.000 0.563 359 Q N 1.679 121.518 119.800 0.065 0.000 2.061 359 Q HA -0.062 4.255 4.340 -0.039 0.000 0.204 359 Q C 0.260 176.039 176.000 -0.368 0.000 0.984 359 Q CA 2.088 57.773 55.803 -0.197 0.000 0.846 359 Q CB -0.447 28.129 28.738 -0.270 0.000 0.902 359 Q HN 0.395 nan 8.270 nan 0.000 0.421 360 P HA -0.168 nan 4.420 nan 0.000 0.215 360 P C 0.919 178.160 177.300 -0.098 0.000 1.153 360 P CA 1.198 64.211 63.100 -0.144 0.000 0.853 360 P CB -0.073 31.569 31.700 -0.096 0.000 0.788 361 I N -0.159 120.361 120.570 -0.083 0.000 2.500 361 I HA -0.060 4.086 4.170 -0.039 0.000 0.252 361 I C 2.566 178.651 176.117 -0.052 0.000 1.142 361 I CA 0.744 62.009 61.300 -0.059 0.000 1.451 361 I CB -1.986 35.991 38.000 -0.038 0.000 1.093 361 I HN -0.091 nan 8.210 nan 0.000 0.430 362 A N 0.932 123.719 122.820 -0.056 0.000 1.877 362 A HA -0.200 4.097 4.320 -0.039 0.000 0.216 362 A C 2.146 179.748 177.584 0.029 0.000 1.186 362 A CA 1.397 53.426 52.037 -0.012 0.000 0.620 362 A CB -0.817 18.175 19.000 -0.012 0.000 0.822 362 A HN 0.254 nan 8.150 nan 0.000 0.443 363 F N 0.128 119.917 119.950 -0.267 0.000 2.146 363 F HA -0.052 4.450 4.527 -0.042 0.000 0.298 363 F C 2.845 178.007 175.800 -1.063 0.000 1.096 363 F CA 0.238 57.866 58.000 -0.620 0.000 1.275 363 F CB -1.236 37.518 39.000 -0.411 0.000 1.008 363 F HN 0.295 nan 8.300 nan 0.000 0.480 364 A N -0.022 122.614 122.820 -0.306 0.000 1.851 364 A HA -0.223 4.073 4.320 -0.039 0.000 0.216 364 A C 2.224 179.749 177.584 -0.099 0.000 1.195 364 A CA 1.944 53.880 52.037 -0.170 0.000 0.622 364 A CB -0.677 18.291 19.000 -0.053 0.000 0.831 364 A HN 0.168 nan 8.150 nan 0.000 0.444 365 M N -0.117 119.444 119.600 -0.066 0.000 2.159 365 M HA -0.128 4.329 4.480 -0.039 0.000 0.263 365 M C 1.498 177.805 176.300 0.013 0.000 1.063 365 M CA 1.448 56.748 55.300 -0.000 0.000 1.110 365 M CB -1.749 30.857 32.600 0.011 0.000 1.374 365 M HN 0.351 nan 8.290 nan 0.000 0.411 366 D N -0.175 120.192 120.400 -0.056 0.000 2.149 366 D HA -0.130 4.487 4.640 -0.039 0.000 0.198 366 D C 1.803 178.212 176.300 0.181 0.000 0.990 366 D CA 1.074 55.083 54.000 0.014 0.000 0.839 366 D CB -0.131 40.642 40.800 -0.044 0.000 0.948 366 D HN 0.228 nan 8.370 nan 0.000 0.460 367 F N -0.008 119.985 119.950 0.071 0.000 2.259 367 F HA -0.022 4.482 4.527 -0.039 0.000 0.298 367 F C 2.383 178.213 175.800 0.050 0.000 1.088 367 F CA 0.100 58.133 58.000 0.055 0.000 1.358 367 F CB -1.052 38.001 39.000 0.088 0.000 1.040 367 F HN -0.119 nan 8.300 nan 0.000 0.505 368 V N -0.619 119.433 119.914 0.231 0.000 2.427 368 V HA -0.238 3.858 4.120 -0.039 0.000 0.248 368 V C 2.281 178.441 176.094 0.109 0.000 1.051 368 V CA 2.140 64.526 62.300 0.143 0.000 1.048 368 V CB -1.148 30.739 31.823 0.107 0.000 0.666 368 V HN 0.311 nan 8.190 nan 0.000 0.456 369 T N 0.500 115.119 114.554 0.108 0.000 2.684 369 T HA -0.164 4.163 4.350 -0.039 0.000 0.267 369 T C 1.827 176.575 174.700 0.081 0.000 1.036 369 T CA 1.963 64.115 62.100 0.085 0.000 1.148 369 T CB -0.277 68.639 68.868 0.081 0.000 0.863 369 T HN 0.336 nan 8.240 nan 0.000 0.436 370 I N 1.166 121.797 120.570 0.102 0.000 2.142 370 I HA -0.181 3.965 4.170 -0.039 0.000 0.240 370 I C 2.931 179.079 176.117 0.051 0.000 1.078 370 I CA 1.180 62.524 61.300 0.074 0.000 1.343 370 I CB -0.530 37.518 38.000 0.080 0.000 1.046 370 I HN 0.189 nan 8.210 nan 0.000 0.405 371 A N 0.879 123.735 122.820 0.060 0.000 1.883 371 A HA -0.200 4.097 4.320 -0.039 0.000 0.217 371 A C 2.322 179.924 177.584 0.030 0.000 1.186 371 A CA 1.603 53.659 52.037 0.032 0.000 0.624 371 A CB -0.972 18.051 19.000 0.038 0.000 0.822 371 A HN 0.403 nan 8.150 nan 0.000 0.444 372 L N -0.762 120.488 121.223 0.044 0.000 2.093 372 L HA -0.153 4.163 4.340 -0.039 0.000 0.208 372 L C 2.771 179.664 176.870 0.037 0.000 1.085 372 L CA 1.686 56.550 54.840 0.041 0.000 0.755 372 L CB -0.829 41.260 42.059 0.049 0.000 0.904 372 L HN 0.394 nan 8.230 nan 0.000 0.435 373 T N -1.260 113.318 114.554 0.039 0.000 2.720 373 T HA -0.284 4.043 4.350 -0.039 0.000 0.268 373 T C 1.809 176.526 174.700 0.028 0.000 1.037 373 T CA 1.495 63.615 62.100 0.034 0.000 1.144 373 T CB -0.156 68.733 68.868 0.035 0.000 0.864 373 T HN 0.190 nan 8.240 nan 0.000 0.444 374 Q N 0.518 120.331 119.800 0.023 0.000 2.167 374 Q HA 0.038 4.354 4.340 -0.039 0.000 0.202 374 Q C 2.040 178.051 176.000 0.019 0.000 0.970 374 Q CA 0.850 56.663 55.803 0.017 0.000 0.855 374 Q CB -0.610 28.132 28.738 0.006 0.000 0.911 374 Q HN 0.425 nan 8.270 nan 0.000 0.438 375 L N -0.501 120.734 121.223 0.021 0.000 2.083 375 L HA 0.017 4.333 4.340 -0.039 0.000 0.209 375 L C 1.955 178.842 176.870 0.029 0.000 1.083 375 L CA 2.343 57.197 54.840 0.023 0.000 0.752 375 L CB -0.985 41.089 42.059 0.026 0.000 0.899 375 L HN 0.299 nan 8.230 nan 0.000 0.433 376 G N -1.542 107.277 108.800 0.032 0.000 2.403 376 G HA2 -0.145 3.792 3.960 -0.039 0.000 0.216 376 G HA3 -0.145 3.792 3.960 -0.039 0.000 0.216 376 G C 1.547 176.465 174.900 0.031 0.000 1.154 376 G CA 0.812 45.932 45.100 0.034 0.000 0.784 376 G HN 0.301 nan 8.290 nan 0.000 0.538 377 V N 0.718 120.649 119.914 0.028 0.000 2.287 377 V HA -0.161 3.935 4.120 -0.039 0.000 0.248 377 V C 2.696 178.806 176.094 0.027 0.000 1.053 377 V CA 1.766 64.082 62.300 0.027 0.000 1.027 377 V CB -0.415 31.423 31.823 0.025 0.000 0.646 377 V HN 0.374 nan 8.190 nan 0.000 0.447 378 L N 0.825 122.064 121.223 0.028 0.000 1.989 378 L HA -0.115 4.201 4.340 -0.039 0.000 0.211 378 L C 2.473 179.356 176.870 0.022 0.000 1.071 378 L CA 2.542 57.400 54.840 0.030 0.000 0.749 378 L CB -1.094 40.984 42.059 0.032 0.000 0.890 378 L HN 0.230 nan 8.230 nan 0.000 0.431 379 A N -0.432 122.400 122.820 0.019 0.000 1.908 379 A HA -0.287 4.009 4.320 -0.039 0.000 0.218 379 A C 2.206 179.795 177.584 0.009 0.000 1.181 379 A CA 1.908 53.950 52.037 0.009 0.000 0.627 379 A CB -0.864 18.145 19.000 0.017 0.000 0.818 379 A HN 0.676 nan 8.150 nan 0.000 0.445 380 E N -0.059 120.152 120.200 0.020 0.000 2.058 380 E HA -0.219 4.107 4.350 -0.039 0.000 0.194 380 E C 2.018 178.626 176.600 0.014 0.000 0.997 380 E CA 1.596 58.010 56.400 0.023 0.000 0.801 380 E CB -0.255 29.464 29.700 0.032 0.000 0.746 380 E HN 0.401 nan 8.360 nan 0.000 0.450 381 R N 0.214 120.721 120.500 0.012 0.000 2.148 381 R HA -0.044 4.273 4.340 -0.039 0.000 0.227 381 R C 2.369 178.662 176.300 -0.012 0.000 1.103 381 R CA 1.496 57.597 56.100 0.002 0.000 0.983 381 R CB -0.419 29.885 30.300 0.008 0.000 0.874 381 R HN 0.496 nan 8.270 nan 0.000 0.451 382 Q N -0.014 119.780 119.800 -0.009 0.000 2.123 382 Q HA 0.001 4.318 4.340 -0.039 0.000 0.199 382 Q C 2.159 178.132 176.000 -0.044 0.000 0.966 382 Q CA 0.963 56.752 55.803 -0.022 0.000 0.845 382 Q CB -0.018 28.708 28.738 -0.020 0.000 0.907 382 Q HN 0.287 nan 8.270 nan 0.000 0.439 383 I N 0.775 121.325 120.570 -0.034 0.000 2.202 383 I HA -0.277 3.870 4.170 -0.039 0.000 0.242 383 I C 2.126 178.216 176.117 -0.045 0.000 1.091 383 I CA 1.139 62.416 61.300 -0.039 0.000 1.368 383 I CB -0.236 37.761 38.000 -0.005 0.000 1.058 383 I HN 0.250 nan 8.210 nan 0.000 0.410 384 N N 0.832 119.515 118.700 -0.029 0.000 2.205 384 N HA -0.252 4.465 4.740 -0.039 0.000 0.186 384 N C 1.895 177.350 175.510 -0.092 0.000 1.015 384 N CA 1.228 54.257 53.050 -0.035 0.000 0.862 384 N CB -0.021 38.459 38.487 -0.011 0.000 0.986 384 N HN 0.091 nan 8.380 nan 0.000 0.429 385 R N -0.074 120.365 120.500 -0.103 0.000 2.070 385 R HA -0.073 4.243 4.340 -0.039 0.000 0.232 385 R C 1.983 178.159 176.300 -0.206 0.000 1.138 385 R CA 1.925 57.929 56.100 -0.159 0.000 0.936 385 R CB -0.520 29.703 30.300 -0.129 0.000 0.839 385 R HN 0.240 nan 8.270 nan 0.000 0.429 386 V N -0.564 119.251 119.914 -0.166 0.000 2.626 386 V HA -0.106 3.990 4.120 -0.039 0.000 0.252 386 V C 2.031 178.000 176.094 -0.208 0.000 1.067 386 V CA 1.465 63.659 62.300 -0.176 0.000 1.081 386 V CB -0.710 31.024 31.823 -0.149 0.000 0.686 386 V HN 0.250 nan 8.190 nan 0.000 0.468 387 L N 0.068 121.171 121.223 -0.200 0.000 2.492 387 L HA 0.188 4.504 4.340 -0.039 0.000 0.223 387 L C 1.080 177.639 176.870 -0.519 0.000 1.132 387 L CA 0.408 55.098 54.840 -0.250 0.000 0.850 387 L CB -0.365 41.658 42.059 -0.059 0.000 0.966 387 L HN 0.353 nan 8.230 nan 0.000 0.454 388 N N 1.194 119.659 118.700 -0.392 0.000 2.462 388 N HA 0.054 4.770 4.740 -0.039 0.000 0.242 388 N C 1.214 176.489 175.510 -0.393 0.000 1.010 388 N CA -0.181 52.618 53.050 -0.418 0.000 0.939 388 N CB 1.104 39.442 38.487 -0.249 0.000 1.127 388 N HN 0.238 nan 8.380 nan 0.000 0.509 389 R N 2.888 123.099 120.500 -0.481 0.000 2.154 389 R HA -0.180 4.137 4.340 -0.039 0.000 0.248 389 R C 0.584 176.706 176.300 -0.296 0.000 1.155 389 R CA 1.694 57.562 56.100 -0.386 0.000 0.979 389 R CB -0.558 29.488 30.300 -0.423 0.000 0.869 389 R HN 0.622 nan 8.270 nan 0.000 0.452 390 H N -0.199 118.761 119.070 -0.184 0.000 2.547 390 H HA 0.161 4.693 4.556 -0.039 0.000 0.272 390 H C 1.074 176.267 175.328 -0.226 0.000 0.989 390 H CA 0.890 56.849 56.048 -0.148 0.000 1.214 390 H CB 0.310 30.008 29.762 -0.107 0.000 1.389 390 H HN 0.194 nan 8.280 nan 0.000 0.577 391 L N -0.700 120.384 121.223 -0.232 0.000 3.086 391 L HA 0.143 4.459 4.340 -0.039 0.000 0.274 391 L C 1.684 178.105 176.870 -0.748 0.000 1.184 391 L CA 0.095 54.656 54.840 -0.466 0.000 1.002 391 L CB 0.536 42.392 42.059 -0.337 0.000 1.383 391 L HN 0.083 nan 8.230 nan 0.000 0.582 392 S N -0.804 114.602 115.700 -0.490 0.000 2.603 392 S HA -0.056 4.391 4.470 -0.039 0.000 0.220 392 S C 0.747 175.199 174.600 -0.247 0.000 0.967 392 S CA -0.082 57.892 58.200 -0.377 0.000 0.920 392 S CB -0.581 62.475 63.200 -0.239 0.000 0.773 392 S HN 0.495 nan 8.310 nan 0.000 0.529 393 Y N 0.306 120.556 120.300 -0.084 0.000 3.589 393 Y HA -0.229 4.298 4.550 -0.039 0.000 0.218 393 Y C 1.360 177.243 175.900 -0.028 0.000 1.234 393 Y CA 0.369 58.435 58.100 -0.056 0.000 1.576 393 Y CB -1.923 36.502 38.460 -0.059 0.000 1.487 393 Y HN 0.651 nan 8.280 nan 0.000 0.616 394 G N -1.023 107.811 108.800 0.057 0.000 2.184 394 G HA2 -0.240 3.697 3.960 -0.039 0.000 0.206 394 G HA3 -0.240 3.697 3.960 -0.039 0.000 0.206 394 G C -0.052 174.847 174.900 -0.002 0.000 0.995 394 G CA -0.204 44.916 45.100 0.034 0.000 0.651 394 G HN 0.354 nan 8.290 nan 0.000 0.511 395 L N 1.392 122.595 121.223 -0.033 0.000 2.395 395 L HA 0.441 4.758 4.340 -0.039 0.000 0.269 395 L C -1.616 175.210 176.870 -0.074 0.000 1.133 395 L CA -2.116 52.694 54.840 -0.050 0.000 0.812 395 L CB 0.637 42.655 42.059 -0.068 0.000 1.125 395 L HN -0.127 nan 8.230 nan 0.000 0.452 396 P HA -0.065 nan 4.420 nan 0.000 0.266 396 P C -0.810 176.444 177.300 -0.078 0.000 1.193 396 P CA -0.204 62.874 63.100 -0.037 0.000 0.770 396 P CB 0.211 31.913 31.700 0.002 0.000 0.836 397 E N 4.141 124.289 120.200 -0.087 0.000 2.417 397 E HA -0.078 4.249 4.350 -0.039 0.000 0.261 397 E C -0.203 176.380 176.600 -0.029 0.000 1.000 397 E CA -0.140 56.127 56.400 -0.222 0.000 0.919 397 E CB -0.446 29.168 29.700 -0.144 0.000 0.955 397 E HN 0.482 nan 8.360 nan 0.000 0.455 398 F N 1.297 121.224 119.950 -0.039 0.000 3.034 398 F HA -0.280 4.223 4.527 -0.040 0.000 0.286 398 F C 0.917 176.730 175.800 0.022 0.000 0.804 398 F CA 0.658 58.657 58.000 -0.001 0.000 1.161 398 F CB -1.976 37.042 39.000 0.030 0.000 1.317 398 F HN 0.574 nan 8.300 nan 0.000 0.453 399 L N -2.418 118.840 121.223 0.058 0.000 3.843 399 L HA -0.271 4.045 4.340 -0.039 0.000 0.411 399 L C 0.154 177.094 176.870 0.116 0.000 1.205 399 L CA 0.099 54.947 54.840 0.013 0.000 0.945 399 L CB -1.988 39.969 42.059 -0.169 0.000 1.929 399 L HN 0.095 nan 8.230 nan 0.000 0.934 400 V N 0.773 120.776 119.914 0.148 0.000 2.470 400 V HA 0.054 4.150 4.120 -0.039 0.000 0.276 400 V C 1.608 177.742 176.094 0.067 0.000 1.040 400 V CA 0.933 63.312 62.300 0.132 0.000 1.008 400 V CB 1.581 33.497 31.823 0.156 0.000 0.990 400 V HN 0.528 nan 8.190 nan 0.000 0.477 401 S N 3.347 119.067 115.700 0.034 0.000 2.425 401 S HA 0.079 4.525 4.470 -0.039 0.000 0.225 401 S C 1.308 175.902 174.600 -0.010 0.000 1.024 401 S CA 0.376 58.582 58.200 0.010 0.000 0.951 401 S CB 0.067 63.270 63.200 0.005 0.000 0.796 401 S HN 0.806 nan 8.310 nan 0.000 0.498 402 G N 1.546 110.316 108.800 -0.050 0.000 3.286 402 G HA2 0.301 4.237 3.960 -0.039 0.000 0.173 402 G HA3 0.301 4.237 3.960 -0.039 0.000 0.173 402 G C -0.813 174.112 174.900 0.043 0.000 1.704 402 G CA -0.403 44.671 45.100 -0.042 0.000 1.041 402 G HN 0.296 nan 8.290 nan 0.000 0.561 403 D N 1.689 122.161 120.400 0.120 0.000 2.329 403 D HA 0.352 4.969 4.640 -0.039 0.000 0.232 403 D C -2.198 174.201 176.300 0.164 0.000 1.088 403 D CA -0.871 53.211 54.000 0.136 0.000 0.835 403 D CB 1.764 42.643 40.800 0.132 0.000 1.078 403 D HN -0.079 nan 8.370 nan 0.000 0.495 404 P HA 0.043 nan 4.420 nan 0.000 0.271 404 P C 1.117 178.469 177.300 0.087 0.000 1.238 404 P CA 0.268 63.439 63.100 0.119 0.000 0.794 404 P CB 0.692 32.457 31.700 0.107 0.000 0.959 405 G N 0.094 108.933 108.800 0.064 0.000 4.825 405 G HA2 -0.398 3.538 3.960 -0.039 0.000 0.224 405 G HA3 -0.398 3.538 3.960 -0.039 0.000 0.224 405 G C 1.029 175.921 174.900 -0.013 0.000 1.356 405 G CA 0.611 45.723 45.100 0.021 0.000 0.966 405 G HN 0.570 nan 8.290 nan 0.000 0.690 406 L N 1.550 122.763 121.223 -0.017 0.000 2.079 406 L HA 0.211 4.528 4.340 -0.039 0.000 0.210 406 L C 1.200 177.912 176.870 -0.265 0.000 1.081 406 L CA 2.401 57.168 54.840 -0.121 0.000 0.752 406 L CB -0.232 41.770 42.059 -0.095 0.000 0.896 406 L HN 0.623 nan 8.230 nan 0.000 0.433 407 H N -2.327 116.745 119.070 0.004 0.000 2.495 407 H HA 0.342 4.874 4.556 -0.040 0.000 0.348 407 H C 0.900 176.219 175.328 -0.016 0.000 1.113 407 H CA -0.055 55.993 56.048 -0.001 0.000 1.195 407 H CB 1.684 31.457 29.762 0.019 0.000 1.521 407 H HN -0.140 nan 8.280 nan 0.000 0.509 408 S N 1.885 117.621 115.700 0.060 0.000 2.501 408 S HA 0.120 4.567 4.470 -0.039 0.000 0.220 408 S C 1.597 176.186 174.600 -0.019 0.000 0.997 408 S CA 0.471 58.635 58.200 -0.060 0.000 0.919 408 S CB 0.088 63.216 63.200 -0.119 0.000 0.778 408 S HN 1.081 nan 8.310 nan 0.000 0.523 409 G N 1.777 110.625 108.800 0.080 0.000 2.574 409 G HA2 -0.328 3.609 3.960 -0.039 0.000 0.301 409 G HA3 -0.328 3.609 3.960 -0.039 0.000 0.301 409 G C 0.337 175.300 174.900 0.105 0.000 1.166 409 G CA 0.597 45.795 45.100 0.163 0.000 0.971 409 G HN 0.429 nan 8.290 nan 0.000 0.542 410 F N 3.108 123.073 119.950 0.025 0.000 2.664 410 F HA 0.568 5.072 4.527 -0.040 0.000 0.303 410 F C 2.559 178.304 175.800 -0.092 0.000 1.092 410 F CA 1.022 59.013 58.000 -0.017 0.000 1.305 410 F CB 0.124 39.137 39.000 0.021 0.000 1.054 410 F HN 0.610 nan 8.300 nan 0.000 0.565 411 A N 0.401 123.191 122.820 -0.051 0.000 1.903 411 A HA -0.204 4.092 4.320 -0.039 0.000 0.219 411 A C 2.571 179.813 177.584 -0.569 0.000 1.191 411 A CA 2.186 54.006 52.037 -0.361 0.000 0.638 411 A CB -1.387 17.167 19.000 -0.744 0.000 0.823 411 A HN 0.401 nan 8.150 nan 0.000 0.451 412 G N -1.503 107.056 108.800 -0.402 0.000 2.572 412 G HA2 0.195 4.132 3.960 -0.039 0.000 0.216 412 G HA3 0.195 4.132 3.960 -0.039 0.000 0.216 412 G C 1.425 176.105 174.900 -0.366 0.000 1.133 412 G CA 1.037 45.907 45.100 -0.383 0.000 0.791 412 G HN 0.835 nan 8.290 nan 0.000 0.538 413 A N -0.022 122.620 122.820 -0.296 0.000 2.167 413 A HA 0.117 4.413 4.320 -0.039 0.000 0.214 413 A C 2.083 179.596 177.584 -0.119 0.000 1.151 413 A CA 1.472 53.400 52.037 -0.182 0.000 0.735 413 A CB -0.169 18.726 19.000 -0.174 0.000 0.802 413 A HN 0.459 nan 8.150 nan 0.000 0.467 414 Q N -1.398 118.260 119.800 -0.236 0.000 2.212 414 Q HA -0.147 4.170 4.340 -0.039 0.000 0.199 414 Q C 1.396 177.365 176.000 -0.052 0.000 0.950 414 Q CA 1.110 56.834 55.803 -0.132 0.000 0.863 414 Q CB -0.221 28.443 28.738 -0.123 0.000 0.944 414 Q HN 0.664 nan 8.270 nan 0.000 0.465 415 Y N 1.199 121.516 120.300 0.029 0.000 2.165 415 Y HA -0.144 4.381 4.550 -0.042 0.000 0.286 415 Y C -0.581 175.325 175.900 0.009 0.000 1.155 415 Y CA 1.018 59.126 58.100 0.014 0.000 1.164 415 Y CB -1.971 36.486 38.460 -0.005 0.000 0.978 415 Y HN 0.340 nan 8.280 nan 0.000 0.513 416 P HA -0.137 nan 4.420 nan 0.000 0.218 416 P C 1.346 178.684 177.300 0.065 0.000 1.149 416 P CA 2.176 65.322 63.100 0.075 0.000 0.817 416 P CB -0.071 31.649 31.700 0.033 0.000 0.785 417 A N -0.126 122.731 122.820 0.062 0.000 1.897 417 A HA -0.091 4.206 4.320 -0.039 0.000 0.215 417 A C 2.310 179.933 177.584 0.065 0.000 1.181 417 A CA 2.156 54.227 52.037 0.057 0.000 0.620 417 A CB -1.782 17.249 19.000 0.051 0.000 0.821 417 A HN 0.176 nan 8.150 nan 0.000 0.443 418 T N 0.493 115.100 114.554 0.088 0.000 2.777 418 T HA 0.004 4.330 4.350 -0.039 0.000 0.266 418 T C 2.186 176.931 174.700 0.075 0.000 1.040 418 T CA 1.449 63.604 62.100 0.092 0.000 1.141 418 T CB -0.430 68.522 68.868 0.139 0.000 0.868 418 T HN 0.561 nan 8.240 nan 0.000 0.444 419 A N 0.993 123.861 122.820 0.080 0.000 1.972 419 A HA 0.059 4.356 4.320 -0.039 0.000 0.219 419 A C 2.275 179.884 177.584 0.042 0.000 1.169 419 A CA 1.043 53.113 52.037 0.054 0.000 0.635 419 A CB -0.773 18.259 19.000 0.054 0.000 0.810 419 A HN 0.464 nan 8.150 nan 0.000 0.446 420 L N -0.875 120.375 121.223 0.045 0.000 2.072 420 L HA -0.123 4.194 4.340 -0.039 0.000 0.205 420 L C 2.512 179.403 176.870 0.036 0.000 1.079 420 L CA 0.809 55.672 54.840 0.038 0.000 0.752 420 L CB -0.398 41.685 42.059 0.040 0.000 0.906 420 L HN 0.232 nan 8.230 nan 0.000 0.436 421 V N 0.136 120.073 119.914 0.038 0.000 2.332 421 V HA -0.352 3.744 4.120 -0.039 0.000 0.248 421 V C 2.719 178.831 176.094 0.030 0.000 1.055 421 V CA 1.937 64.258 62.300 0.034 0.000 1.038 421 V CB -0.889 30.955 31.823 0.035 0.000 0.651 421 V HN 0.512 nan 8.190 nan 0.000 0.450 422 A N -0.437 122.400 122.820 0.030 0.000 1.898 422 A HA -0.271 4.026 4.320 -0.039 0.000 0.216 422 A C 2.266 179.863 177.584 0.022 0.000 1.181 422 A CA 1.992 54.043 52.037 0.024 0.000 0.620 422 A CB -0.501 18.512 19.000 0.022 0.000 0.819 422 A HN 0.638 nan 8.150 nan 0.000 0.442 423 E N -0.000 120.214 120.200 0.023 0.000 2.051 423 E HA -0.225 4.102 4.350 -0.039 0.000 0.192 423 E C 1.721 178.336 176.600 0.024 0.000 0.991 423 E CA 1.399 57.812 56.400 0.022 0.000 0.799 423 E CB -0.162 29.551 29.700 0.022 0.000 0.748 423 E HN 0.523 nan 8.360 nan 0.000 0.449 424 N N 0.456 119.172 118.700 0.027 0.000 2.272 424 N HA -0.143 4.573 4.740 -0.039 0.000 0.185 424 N C 1.548 177.076 175.510 0.029 0.000 1.014 424 N CA 0.901 53.969 53.050 0.030 0.000 0.870 424 N CB -0.173 38.334 38.487 0.033 0.000 0.975 424 N HN 0.176 nan 8.380 nan 0.000 0.433 425 R N -0.234 120.282 120.500 0.026 0.000 2.276 425 R HA 0.022 4.339 4.340 -0.039 0.000 0.203 425 R C 1.515 177.829 176.300 0.023 0.000 1.017 425 R CA 1.097 57.211 56.100 0.024 0.000 1.010 425 R CB -0.004 30.308 30.300 0.021 0.000 0.900 425 R HN 0.331 nan 8.270 nan 0.000 0.469 426 T N -2.078 112.489 114.554 0.022 0.000 3.129 426 T HA 0.186 4.512 4.350 -0.039 0.000 0.251 426 T C 0.634 175.348 174.700 0.023 0.000 1.117 426 T CA 0.027 62.139 62.100 0.020 0.000 1.034 426 T CB -0.053 68.825 68.868 0.017 0.000 0.968 426 T HN -0.063 nan 8.240 nan 0.000 0.526 427 I N 2.472 123.058 120.570 0.027 0.000 2.291 427 I HA 0.508 4.654 4.170 -0.039 0.000 0.292 427 I C 0.979 177.118 176.117 0.037 0.000 1.064 427 I CA -0.577 60.742 61.300 0.031 0.000 1.269 427 I CB 0.914 38.935 38.000 0.034 0.000 1.418 427 I HN 0.207 nan 8.210 nan 0.000 0.485 428 G N 6.923 115.745 108.800 0.036 0.000 2.412 428 G HA2 0.582 4.518 3.960 -0.039 0.000 0.318 428 G HA3 0.582 4.518 3.960 -0.039 0.000 0.318 428 G C -2.516 172.414 174.900 0.050 0.000 1.146 428 G CA -1.305 43.820 45.100 0.041 0.000 0.882 428 G HN 0.358 nan 8.290 nan 0.000 0.501 429 P HA 0.120 nan 4.420 nan 0.000 0.265 429 P C 0.323 177.663 177.300 0.068 0.000 1.187 429 P CA 0.206 63.348 63.100 0.069 0.000 0.766 429 P CB 1.446 33.191 31.700 0.076 0.000 0.820 430 A N 2.317 125.180 122.820 0.072 0.000 2.229 430 A HA 0.021 4.318 4.320 -0.039 0.000 0.211 430 A C 1.947 179.587 177.584 0.095 0.000 1.193 430 A CA 0.712 52.791 52.037 0.071 0.000 0.879 430 A CB -0.678 18.356 19.000 0.057 0.000 0.911 430 A HN 0.570 nan 8.150 nan 0.000 0.492 431 S N 0.205 115.983 115.700 0.130 0.000 2.547 431 S HA -0.099 4.348 4.470 -0.039 0.000 0.235 431 S C 1.428 176.181 174.600 0.255 0.000 0.980 431 S CA 1.640 59.964 58.200 0.207 0.000 0.941 431 S CB -0.848 62.566 63.200 0.357 0.000 0.763 431 S HN 0.705 nan 8.310 nan 0.000 0.532 432 T N -2.396 112.269 114.554 0.185 0.000 3.085 432 T HA 0.300 4.626 4.350 -0.039 0.000 0.264 432 T C 0.867 175.635 174.700 0.114 0.000 1.019 432 T CA -0.453 61.747 62.100 0.166 0.000 0.910 432 T CB 0.118 69.062 68.868 0.127 0.000 1.059 432 T HN 0.185 nan 8.240 nan 0.000 0.542 433 Q N 1.752 121.611 119.800 0.097 0.000 2.211 433 Q HA 0.317 4.633 4.340 -0.039 0.000 0.231 433 Q C 0.506 176.546 176.000 0.065 0.000 0.865 433 Q CA -0.087 55.759 55.803 0.071 0.000 0.997 433 Q CB 0.515 29.288 28.738 0.059 0.000 1.101 433 Q HN 0.548 nan 8.270 nan 0.000 0.468 434 S N 0.401 116.148 115.700 0.078 0.000 2.561 434 S HA 0.110 4.557 4.470 -0.039 0.000 0.294 434 S C 0.014 174.648 174.600 0.057 0.000 1.294 434 S CA -0.080 58.162 58.200 0.070 0.000 1.055 434 S CB 0.356 63.611 63.200 0.091 0.000 0.819 434 S HN 0.111 nan 8.310 nan 0.000 0.503 435 V N 7.828 127.770 119.914 0.047 0.000 2.577 435 V HA 0.454 4.551 4.120 -0.039 0.000 0.303 435 V C -2.142 173.975 176.094 0.039 0.000 1.042 435 V CA -1.646 60.678 62.300 0.040 0.000 0.872 435 V CB 1.828 33.669 31.823 0.032 0.000 0.998 435 V HN 0.855 nan 8.190 nan 0.000 0.423 436 P HA 0.285 nan 4.420 nan 0.000 0.271 436 P C -0.470 176.851 177.300 0.034 0.000 1.226 436 P CA 0.278 63.403 63.100 0.041 0.000 0.765 436 P CB 1.114 32.838 31.700 0.041 0.000 0.835 437 S N 1.346 117.066 115.700 0.033 0.000 2.685 437 S HA 0.490 4.936 4.470 -0.039 0.000 0.282 437 S C -0.177 174.443 174.600 0.034 0.000 1.159 437 S CA -0.802 57.415 58.200 0.028 0.000 0.833 437 S CB 0.945 64.157 63.200 0.020 0.000 1.151 437 S HN 0.421 nan 8.310 nan 0.000 0.485 438 N N 0.032 118.751 118.700 0.033 0.000 2.726 438 N HA -0.086 4.631 4.740 -0.039 0.000 0.253 438 N C 0.704 176.247 175.510 0.057 0.000 1.059 438 N CA 1.850 54.926 53.050 0.044 0.000 0.701 438 N CB -1.461 37.056 38.487 0.049 0.000 0.899 438 N HN 2.240 nan 8.380 nan 0.000 0.548 439 G N 0.791 109.624 108.800 0.056 0.000 2.225 439 G HA2 -0.304 3.632 3.960 -0.039 0.000 0.267 439 G HA3 -0.304 3.632 3.960 -0.039 0.000 0.267 439 G C 0.519 175.454 174.900 0.060 0.000 1.024 439 G CA 0.630 45.769 45.100 0.065 0.000 0.784 439 G HN 0.823 nan 8.290 nan 0.000 0.507 440 D N -2.034 118.396 120.400 0.050 0.000 2.792 440 D HA -0.234 4.382 4.640 -0.039 0.000 0.192 440 D C 1.329 177.660 176.300 0.052 0.000 1.007 440 D CA 1.593 55.621 54.000 0.048 0.000 1.020 440 D CB -1.373 39.453 40.800 0.045 0.000 1.089 440 D HN 0.672 nan 8.370 nan 0.000 0.438 441 N N 0.921 119.654 118.700 0.055 0.000 2.192 441 N HA -0.194 4.522 4.740 -0.039 0.000 0.188 441 N C 0.554 176.095 175.510 0.052 0.000 1.013 441 N CA 1.551 54.632 53.050 0.051 0.000 0.863 441 N CB 0.049 38.566 38.487 0.050 0.000 0.990 441 N HN 0.382 nan 8.380 nan 0.000 0.430 442 Q N -0.039 119.791 119.800 0.051 0.000 2.916 442 Q HA 0.097 4.414 4.340 -0.039 0.000 0.314 442 Q C -0.582 175.459 176.000 0.068 0.000 1.194 442 Q CA -0.317 55.522 55.803 0.059 0.000 1.079 442 Q CB 0.745 29.501 28.738 0.031 0.000 1.322 442 Q HN 0.499 nan 8.270 nan 0.000 0.500 443 D N -0.867 119.578 120.400 0.075 0.000 2.312 443 D HA -0.061 4.555 4.640 -0.039 0.000 0.211 443 D C 0.255 176.607 176.300 0.087 0.000 0.964 443 D CA 0.495 54.537 54.000 0.070 0.000 0.877 443 D CB 0.336 41.171 40.800 0.059 0.000 0.924 443 D HN 0.074 nan 8.370 nan 0.000 0.515 444 V N 1.079 121.068 119.914 0.126 0.000 2.488 444 V HA 0.449 4.545 4.120 -0.039 0.000 0.293 444 V C -0.092 176.185 176.094 0.304 0.000 1.027 444 V CA -1.098 61.306 62.300 0.174 0.000 0.862 444 V CB 1.707 33.617 31.823 0.144 0.000 1.008 444 V HN 0.120 nan 8.190 nan 0.000 0.428 445 V N 1.784 121.805 119.914 0.178 0.000 3.166 445 V HA 0.810 4.906 4.120 -0.039 0.000 0.317 445 V C 0.968 177.081 176.094 0.031 0.000 1.136 445 V CA 0.278 62.583 62.300 0.008 0.000 1.035 445 V CB 1.941 33.736 31.823 -0.046 0.000 1.110 445 V HN 0.802 nan 8.190 nan 0.000 0.450 446 S N -0.470 115.150 115.700 -0.134 0.000 2.499 446 S HA 0.136 4.582 4.470 -0.039 0.000 0.225 446 S C 1.121 175.725 174.600 0.007 0.000 1.050 446 S CA 0.792 58.982 58.200 -0.017 0.000 0.928 446 S CB -0.470 62.688 63.200 -0.070 0.000 0.803 446 S HN 1.276 nan 8.310 nan 0.000 0.506 447 M N 1.420 121.009 119.600 -0.017 0.000 2.653 447 M HA -0.133 4.324 4.480 -0.039 0.000 0.203 447 M C 0.849 177.162 176.300 0.021 0.000 0.502 447 M CA 0.552 55.859 55.300 0.012 0.000 0.601 447 M CB -1.715 30.907 32.600 0.037 0.000 2.228 447 M HN 0.492 nan 8.290 nan 0.000 0.711 448 G N -0.525 108.277 108.800 0.002 0.000 2.422 448 G HA2 -0.169 3.767 3.960 -0.039 0.000 0.218 448 G HA3 -0.169 3.767 3.960 -0.039 0.000 0.218 448 G C 1.129 176.045 174.900 0.027 0.000 1.146 448 G CA 0.902 46.008 45.100 0.009 0.000 0.769 448 G HN 0.499 nan 8.290 nan 0.000 0.547 449 L N 0.908 122.152 121.223 0.035 0.000 2.131 449 L HA 0.081 4.397 4.340 -0.039 0.000 0.210 449 L C 2.670 179.589 176.870 0.081 0.000 1.092 449 L CA 1.129 56.009 54.840 0.068 0.000 0.759 449 L CB -0.493 41.619 42.059 0.088 0.000 0.903 449 L HN 0.287 nan 8.230 nan 0.000 0.435 450 I N -1.581 119.024 120.570 0.059 0.000 2.315 450 I HA -0.265 3.881 4.170 -0.039 0.000 0.248 450 I C 2.287 178.436 176.117 0.054 0.000 1.117 450 I CA 1.104 62.436 61.300 0.053 0.000 1.404 450 I CB -0.373 37.652 38.000 0.042 0.000 1.071 450 I HN 0.163 nan 8.210 nan 0.000 0.419 451 S N 1.010 116.740 115.700 0.051 0.000 2.368 451 S HA -0.148 4.299 4.470 -0.039 0.000 0.225 451 S C 2.304 176.935 174.600 0.051 0.000 1.030 451 S CA 1.299 59.528 58.200 0.048 0.000 0.999 451 S CB -0.398 62.824 63.200 0.038 0.000 0.844 451 S HN 0.537 nan 8.310 nan 0.000 0.459 452 A N 1.984 124.837 122.820 0.055 0.000 1.902 452 A HA -0.104 4.193 4.320 -0.039 0.000 0.217 452 A C 2.180 179.814 177.584 0.083 0.000 1.181 452 A CA 1.210 53.285 52.037 0.063 0.000 0.623 452 A CB -0.427 18.609 19.000 0.061 0.000 0.818 452 A HN 0.378 nan 8.150 nan 0.000 0.443 453 R N -0.609 119.948 120.500 0.095 0.000 2.090 453 R HA -0.074 4.242 4.340 -0.039 0.000 0.228 453 R C 1.774 178.110 176.300 0.061 0.000 1.110 453 R CA 1.185 57.340 56.100 0.092 0.000 0.973 453 R CB -0.340 30.007 30.300 0.078 0.000 0.869 453 R HN 0.501 nan 8.270 nan 0.000 0.440 454 N N 1.197 119.929 118.700 0.054 0.000 2.084 454 N HA -0.148 4.568 4.740 -0.039 0.000 0.190 454 N C 1.707 177.248 175.510 0.052 0.000 1.030 454 N CA 1.654 54.733 53.050 0.048 0.000 0.849 454 N CB -0.438 38.078 38.487 0.048 0.000 1.012 454 N HN 0.184 nan 8.380 nan 0.000 0.423 455 A N 1.257 124.112 122.820 0.058 0.000 1.940 455 A HA -0.168 4.129 4.320 -0.039 0.000 0.219 455 A C 2.243 179.863 177.584 0.059 0.000 1.176 455 A CA 1.497 53.570 52.037 0.061 0.000 0.631 455 A CB -0.543 18.495 19.000 0.063 0.000 0.814 455 A HN 0.297 nan 8.150 nan 0.000 0.446 456 R N -0.378 120.160 120.500 0.063 0.000 2.096 456 R HA -0.148 4.168 4.340 -0.039 0.000 0.235 456 R C 2.419 178.751 176.300 0.053 0.000 1.127 456 R CA 1.609 57.748 56.100 0.064 0.000 0.968 456 R CB -0.306 30.044 30.300 0.082 0.000 0.861 456 R HN 0.591 nan 8.270 nan 0.000 0.440 457 R N 0.210 120.738 120.500 0.046 0.000 2.062 457 R HA -0.083 4.233 4.340 -0.039 0.000 0.231 457 R C 2.086 178.408 176.300 0.038 0.000 1.136 457 R CA 1.715 57.837 56.100 0.036 0.000 0.948 457 R CB -0.276 30.041 30.300 0.029 0.000 0.845 457 R HN 0.134 nan 8.270 nan 0.000 0.430 458 V N 1.899 121.838 119.914 0.042 0.000 2.332 458 V HA -0.258 3.839 4.120 -0.039 0.000 0.248 458 V C 2.385 178.506 176.094 0.045 0.000 1.055 458 V CA 1.732 64.058 62.300 0.043 0.000 1.038 458 V CB -0.627 31.223 31.823 0.046 0.000 0.651 458 V HN 0.396 nan 8.190 nan 0.000 0.450 459 L N 0.255 121.507 121.223 0.048 0.000 1.989 459 L HA -0.168 4.149 4.340 -0.039 0.000 0.211 459 L C 2.635 179.534 176.870 0.048 0.000 1.071 459 L CA 2.613 57.483 54.840 0.050 0.000 0.749 459 L CB -0.889 41.202 42.059 0.053 0.000 0.890 459 L HN 0.307 nan 8.230 nan 0.000 0.431 460 S N -0.303 115.424 115.700 0.045 0.000 2.359 460 S HA -0.223 4.224 4.470 -0.039 0.000 0.224 460 S C 1.908 176.532 174.600 0.039 0.000 1.035 460 S CA 1.693 59.917 58.200 0.040 0.000 1.018 460 S CB -0.546 62.675 63.200 0.036 0.000 0.876 460 S HN 0.676 nan 8.310 nan 0.000 0.448 461 N N 2.284 121.006 118.700 0.038 0.000 2.149 461 N HA -0.058 4.658 4.740 -0.039 0.000 0.188 461 N C 1.469 177.004 175.510 0.042 0.000 1.019 461 N CA 1.194 54.266 53.050 0.037 0.000 0.857 461 N CB -1.008 37.500 38.487 0.035 0.000 0.997 461 N HN 0.441 nan 8.380 nan 0.000 0.426 462 N N 1.337 120.065 118.700 0.045 0.000 2.205 462 N HA -0.075 4.642 4.740 -0.039 0.000 0.186 462 N C 1.195 176.739 175.510 0.058 0.000 1.015 462 N CA 0.566 53.647 53.050 0.051 0.000 0.862 462 N CB -0.411 38.107 38.487 0.052 0.000 0.986 462 N HN 0.309 nan 8.380 nan 0.000 0.429 463 N N 1.166 119.899 118.700 0.055 0.000 2.120 463 N HA -0.101 4.615 4.740 -0.039 0.000 0.188 463 N C 1.434 176.977 175.510 0.055 0.000 1.024 463 N CA 0.876 53.960 53.050 0.056 0.000 0.852 463 N CB -0.062 38.454 38.487 0.048 0.000 1.003 463 N HN 0.365 nan 8.380 nan 0.000 0.424 464 K N 0.858 121.287 120.400 0.048 0.000 2.097 464 K HA 0.009 4.305 4.320 -0.039 0.000 0.205 464 K C 2.169 178.802 176.600 0.055 0.000 1.050 464 K CA 0.599 56.913 56.287 0.046 0.000 0.938 464 K CB -0.205 32.316 32.500 0.036 0.000 0.718 464 K HN 0.277 nan 8.250 nan 0.000 0.442 465 I N 1.309 121.913 120.570 0.056 0.000 2.252 465 I HA -0.234 3.912 4.170 -0.039 0.000 0.245 465 I C 2.324 178.486 176.117 0.075 0.000 1.102 465 I CA 1.027 62.362 61.300 0.059 0.000 1.385 465 I CB -0.316 37.715 38.000 0.051 0.000 1.064 465 I HN 0.033 nan 8.210 nan 0.000 0.414 466 L N 0.587 121.866 121.223 0.093 0.000 2.201 466 L HA -0.152 4.165 4.340 -0.039 0.000 0.212 466 L C 2.827 179.829 176.870 0.221 0.000 1.105 466 L CA 0.912 55.844 54.840 0.154 0.000 0.775 466 L CB -0.679 41.488 42.059 0.180 0.000 0.913 466 L HN 0.238 nan 8.230 nan 0.000 0.440 467 A N -0.106 122.791 122.820 0.128 0.000 1.902 467 A HA -0.138 4.159 4.320 -0.039 0.000 0.217 467 A C 2.308 179.977 177.584 0.143 0.000 1.181 467 A CA 1.659 53.763 52.037 0.112 0.000 0.623 467 A CB -0.713 18.331 19.000 0.073 0.000 0.818 467 A HN 0.186 nan 8.150 nan 0.000 0.443 468 V N 0.065 120.050 119.914 0.118 0.000 2.427 468 V HA -0.243 3.854 4.120 -0.039 0.000 0.248 468 V C 2.481 178.647 176.094 0.120 0.000 1.051 468 V CA 2.251 64.632 62.300 0.135 0.000 1.048 468 V CB -0.679 31.204 31.823 0.100 0.000 0.666 468 V HN 0.808 nan 8.190 nan 0.000 0.456 469 E N -0.755 119.490 120.200 0.075 0.000 2.106 469 E HA -0.215 4.112 4.350 -0.039 0.000 0.192 469 E C 2.136 178.690 176.600 -0.076 0.000 0.984 469 E CA 1.301 57.690 56.400 -0.019 0.000 0.806 469 E CB -0.218 29.446 29.700 -0.060 0.000 0.750 469 E HN 0.674 nan 8.360 nan 0.000 0.458 470 Y N 0.600 120.838 120.300 -0.103 0.000 2.163 470 Y HA -0.148 4.379 4.550 -0.039 0.000 0.288 470 Y C 2.169 178.027 175.900 -0.071 0.000 1.136 470 Y CA 1.342 59.345 58.100 -0.163 0.000 1.147 470 Y CB -0.098 38.166 38.460 -0.327 0.000 0.987 470 Y HN 0.057 nan 8.280 nan 0.000 0.509 471 L N -1.040 120.289 121.223 0.176 0.000 2.046 471 L HA -0.260 4.056 4.340 -0.039 0.000 0.208 471 L C 2.684 179.579 176.870 0.043 0.000 1.077 471 L CA 1.149 56.109 54.840 0.201 0.000 0.747 471 L CB -0.894 41.374 42.059 0.350 0.000 0.896 471 L HN 0.222 nan 8.230 nan 0.000 0.432 472 A N 0.075 122.839 122.820 -0.093 0.000 1.883 472 A HA -0.237 4.059 4.320 -0.039 0.000 0.217 472 A C 2.545 179.950 177.584 -0.298 0.000 1.186 472 A CA 1.988 53.746 52.037 -0.465 0.000 0.624 472 A CB -0.901 17.924 19.000 -0.293 0.000 0.822 472 A HN 0.413 nan 8.150 nan 0.000 0.444 473 A N -0.054 122.670 122.820 -0.161 0.000 1.859 473 A HA 0.031 4.327 4.320 -0.039 0.000 0.217 473 A C 2.595 180.171 177.584 -0.013 0.000 1.198 473 A CA 2.900 54.876 52.037 -0.102 0.000 0.629 473 A CB -1.388 17.533 19.000 -0.131 0.000 0.830 473 A HN 1.289 nan 8.150 nan 0.000 0.446 474 A N -1.115 121.721 122.820 0.028 0.000 1.892 474 A HA -0.302 3.995 4.320 -0.039 0.000 0.218 474 A C 2.180 179.842 177.584 0.130 0.000 1.188 474 A CA 2.576 54.680 52.037 0.112 0.000 0.631 474 A CB -0.703 18.256 19.000 -0.067 0.000 0.822 474 A HN 0.638 nan 8.150 nan 0.000 0.447 475 Q N -0.227 119.566 119.800 -0.011 0.000 2.061 475 Q HA -0.091 4.226 4.340 -0.039 0.000 0.204 475 Q C 2.060 178.038 176.000 -0.036 0.000 0.984 475 Q CA 2.481 58.257 55.803 -0.044 0.000 0.846 475 Q CB -0.670 27.885 28.738 -0.305 0.000 0.902 475 Q HN 0.580 nan 8.270 nan 0.000 0.421 476 A N -0.509 122.255 122.820 -0.092 0.000 1.940 476 A HA -0.166 4.131 4.320 -0.039 0.000 0.219 476 A C 2.299 179.895 177.584 0.019 0.000 1.176 476 A CA 1.750 53.753 52.037 -0.056 0.000 0.631 476 A CB -0.919 18.034 19.000 -0.079 0.000 0.814 476 A HN 0.299 nan 8.150 nan 0.000 0.446 477 V N 0.541 120.508 119.914 0.088 0.000 2.343 477 V HA -0.246 3.850 4.120 -0.039 0.000 0.247 477 V C 2.194 178.350 176.094 0.102 0.000 1.051 477 V CA 2.314 64.683 62.300 0.115 0.000 1.036 477 V CB -0.751 31.205 31.823 0.221 0.000 0.654 477 V HN 0.523 nan 8.190 nan 0.000 0.451 478 D N -0.035 120.459 120.400 0.156 0.000 2.097 478 D HA -0.098 4.518 4.640 -0.039 0.000 0.197 478 D C 2.218 178.553 176.300 0.058 0.000 0.984 478 D CA 1.195 55.262 54.000 0.112 0.000 0.826 478 D CB -0.200 40.685 40.800 0.141 0.000 0.973 478 D HN 0.294 nan 8.370 nan 0.000 0.460 479 I N 1.491 122.087 120.570 0.044 0.000 2.118 479 I HA -0.274 3.872 4.170 -0.039 0.000 0.241 479 I C 2.400 178.528 176.117 0.018 0.000 1.070 479 I CA 1.562 62.875 61.300 0.023 0.000 1.327 479 I CB -0.867 37.136 38.000 0.004 0.000 1.034 479 I HN 0.033 nan 8.210 nan 0.000 0.405 480 S N 0.432 116.143 115.700 0.018 0.000 2.489 480 S HA 0.072 4.518 4.470 -0.039 0.000 0.228 480 S C 1.670 176.281 174.600 0.018 0.000 0.995 480 S CA 0.480 58.689 58.200 0.015 0.000 0.934 480 S CB -0.225 62.982 63.200 0.012 0.000 0.771 480 S HN 0.646 nan 8.310 nan 0.000 0.522 481 G N 1.814 110.629 108.800 0.025 0.000 2.323 481 G HA2 -0.293 3.643 3.960 -0.039 0.000 0.292 481 G HA3 -0.293 3.643 3.960 -0.039 0.000 0.292 481 G C 0.301 175.218 174.900 0.028 0.000 1.040 481 G CA 0.284 45.401 45.100 0.027 0.000 0.942 481 G HN 0.593 nan 8.290 nan 0.000 0.506 482 R N -1.069 119.445 120.500 0.022 0.000 2.694 482 R HA 0.346 4.662 4.340 -0.039 0.000 0.334 482 R C 1.584 177.870 176.300 -0.023 0.000 1.143 482 R CA -0.406 55.693 56.100 -0.001 0.000 1.073 482 R CB -0.075 30.216 30.300 -0.015 0.000 1.366 482 R HN 0.404 nan 8.270 nan 0.000 0.577 483 F N 1.279 121.131 119.950 -0.165 0.000 2.146 483 F HA -0.147 4.356 4.527 -0.040 0.000 0.298 483 F C 1.460 177.159 175.800 -0.167 0.000 1.096 483 F CA 1.574 59.419 58.000 -0.259 0.000 1.275 483 F CB 0.311 39.088 39.000 -0.372 0.000 1.008 483 F HN 0.038 nan 8.300 nan 0.000 0.480 484 D N -0.062 120.302 120.400 -0.060 0.000 2.350 484 D HA -0.045 4.572 4.640 -0.039 0.000 0.216 484 D C 2.186 178.386 176.300 -0.167 0.000 0.968 484 D CA 1.156 55.083 54.000 -0.121 0.000 0.894 484 D CB -0.374 40.433 40.800 0.011 0.000 0.909 484 D HN 0.478 nan 8.370 nan 0.000 0.520 485 G N -0.199 108.508 108.800 -0.155 0.000 2.887 485 G HA2 0.111 4.047 3.960 -0.039 0.000 0.211 485 G HA3 0.111 4.047 3.960 -0.039 0.000 0.211 485 G C 0.833 175.637 174.900 -0.161 0.000 1.152 485 G CA -0.295 44.730 45.100 -0.125 0.000 0.769 485 G HN 0.149 nan 8.290 nan 0.000 0.541 486 L N 2.092 123.162 121.223 -0.255 0.000 2.467 486 L HA 0.209 4.525 4.340 -0.039 0.000 0.270 486 L C 1.452 178.195 176.870 -0.211 0.000 1.205 486 L CA -0.436 54.256 54.840 -0.246 0.000 0.828 486 L CB 0.975 42.818 42.059 -0.361 0.000 1.101 486 L HN 0.277 nan 8.230 nan 0.000 0.479 487 S N 2.212 117.825 115.700 -0.146 0.000 2.641 487 S HA 0.244 4.690 4.470 -0.039 0.000 0.261 487 S C -1.892 172.643 174.600 -0.110 0.000 1.257 487 S CA -1.053 57.080 58.200 -0.112 0.000 0.983 487 S CB 0.823 63.972 63.200 -0.085 0.000 0.990 487 S HN 0.406 nan 8.310 nan 0.000 0.572 488 P HA 0.011 nan 4.420 nan 0.000 0.215 488 P C 1.577 178.861 177.300 -0.027 0.000 1.157 488 P CA 2.029 65.097 63.100 -0.053 0.000 0.863 488 P CB -0.335 31.344 31.700 -0.035 0.000 0.787 489 A N -0.175 122.632 122.820 -0.020 0.000 1.930 489 A HA -0.037 4.259 4.320 -0.039 0.000 0.217 489 A C 2.308 179.906 177.584 0.024 0.000 1.175 489 A CA 1.871 53.913 52.037 0.008 0.000 0.627 489 A CB -1.580 17.419 19.000 -0.001 0.000 0.815 489 A HN 0.166 nan 8.150 nan 0.000 0.443 490 A N 0.072 122.885 122.820 -0.013 0.000 1.883 490 A HA -0.203 4.094 4.320 -0.039 0.000 0.217 490 A C 2.110 179.721 177.584 0.046 0.000 1.186 490 A CA 1.932 53.969 52.037 -0.001 0.000 0.624 490 A CB -0.479 18.486 19.000 -0.058 0.000 0.822 490 A HN 0.535 nan 8.150 nan 0.000 0.444 491 K N -0.456 119.923 120.400 -0.035 0.000 2.063 491 K HA -0.096 4.201 4.320 -0.039 0.000 0.208 491 K C 2.320 179.035 176.600 0.191 0.000 1.048 491 K CA 1.140 57.417 56.287 -0.016 0.000 0.928 491 K CB -0.329 32.072 32.500 -0.165 0.000 0.713 491 K HN 0.467 nan 8.250 nan 0.000 0.442 492 A N 0.936 123.839 122.820 0.138 0.000 1.877 492 A HA -0.159 4.138 4.320 -0.039 0.000 0.216 492 A C 2.240 179.963 177.584 0.232 0.000 1.186 492 A CA 2.081 54.217 52.037 0.165 0.000 0.620 492 A CB -1.003 18.065 19.000 0.114 0.000 0.822 492 A HN 0.263 nan 8.150 nan 0.000 0.443 493 T N -1.351 113.351 114.554 0.246 0.000 2.652 493 T HA -0.218 4.108 4.350 -0.039 0.000 0.267 493 T C 1.794 176.712 174.700 0.364 0.000 1.039 493 T CA 1.754 64.055 62.100 0.334 0.000 1.153 493 T CB -0.568 68.445 68.868 0.242 0.000 0.863 493 T HN 0.566 nan 8.240 nan 0.000 0.428 494 Y N 2.054 122.483 120.300 0.214 0.000 2.081 494 Y HA -0.226 4.302 4.550 -0.038 0.000 0.280 494 Y C 2.426 178.471 175.900 0.241 0.000 1.163 494 Y CA 1.827 60.067 58.100 0.234 0.000 1.135 494 Y CB -0.274 38.357 38.460 0.285 0.000 0.970 494 Y HN 0.292 nan 8.280 nan 0.000 0.498 495 E N 0.016 120.475 120.200 0.432 0.000 2.110 495 E HA -0.212 4.115 4.350 -0.039 0.000 0.193 495 E C 2.350 179.018 176.600 0.114 0.000 0.988 495 E CA 0.831 57.387 56.400 0.261 0.000 0.804 495 E CB -0.349 29.531 29.700 0.300 0.000 0.745 495 E HN 0.618 nan 8.360 nan 0.000 0.458 496 A N 0.895 123.810 122.820 0.158 0.000 1.978 496 A HA -0.141 4.155 4.320 -0.039 0.000 0.220 496 A C 2.435 180.072 177.584 0.088 0.000 1.170 496 A CA 1.137 53.221 52.037 0.079 0.000 0.636 496 A CB -0.426 18.638 19.000 0.108 0.000 0.810 496 A HN 0.125 nan 8.150 nan 0.000 0.448 497 V N -0.400 119.648 119.914 0.225 0.000 2.379 497 V HA -0.109 3.988 4.120 -0.039 0.000 0.243 497 V C 2.578 178.670 176.094 -0.003 0.000 1.035 497 V CA 1.413 63.832 62.300 0.199 0.000 1.035 497 V CB -0.606 31.339 31.823 0.203 0.000 0.673 497 V HN 0.433 nan 8.190 nan 0.000 0.457 498 R N 0.135 120.542 120.500 -0.157 0.000 2.152 498 R HA -0.078 4.238 4.340 -0.039 0.000 0.232 498 R C 2.288 178.548 176.300 -0.068 0.000 1.117 498 R CA 1.063 57.050 56.100 -0.187 0.000 0.981 498 R CB -0.507 29.594 30.300 -0.332 0.000 0.870 498 R HN 0.482 nan 8.270 nan 0.000 0.451 499 R N -0.082 120.396 120.500 -0.037 0.000 2.148 499 R HA 0.030 4.347 4.340 -0.039 0.000 0.223 499 R C 2.179 178.464 176.300 -0.026 0.000 1.088 499 R CA 0.794 56.880 56.100 -0.024 0.000 0.985 499 R CB -0.023 30.263 30.300 -0.023 0.000 0.880 499 R HN 0.154 nan 8.270 nan 0.000 0.451 500 L N -0.490 120.719 121.223 -0.023 0.000 2.221 500 L HA 0.107 4.423 4.340 -0.039 0.000 0.202 500 L C 0.090 176.962 176.870 0.004 0.000 1.074 500 L CA 0.390 55.221 54.840 -0.014 0.000 0.795 500 L CB 0.577 42.629 42.059 -0.012 0.000 0.960 500 L HN -0.119 nan 8.230 nan 0.000 0.458 501 V N 0.460 120.380 119.914 0.010 0.000 2.638 501 V HA 0.370 4.466 4.120 -0.039 0.000 0.306 501 V C -2.363 173.732 176.094 0.002 0.000 1.052 501 V CA -1.566 60.744 62.300 0.017 0.000 0.885 501 V CB 1.854 33.703 31.823 0.043 0.000 0.999 501 V HN -0.058 nan 8.190 nan 0.000 0.424 502 P HA 0.136 nan 4.420 nan 0.000 0.274 502 P C 0.055 177.370 177.300 0.026 0.000 1.246 502 P CA -0.039 63.064 63.100 0.004 0.000 0.795 502 P CB 0.651 32.356 31.700 0.009 0.000 1.006 503 T N 0.596 115.168 114.554 0.031 0.000 2.937 503 T HA 0.042 4.368 4.350 -0.039 0.000 0.316 503 T C 0.156 174.901 174.700 0.076 0.000 1.079 503 T CA -0.222 61.918 62.100 0.067 0.000 1.131 503 T CB -0.470 68.440 68.868 0.070 0.000 1.000 503 T HN 0.217 nan 8.240 nan 0.000 0.549 504 L N 6.178 127.478 121.223 0.129 0.000 2.312 504 L HA 0.488 4.804 4.340 -0.039 0.000 0.287 504 L C 1.048 177.955 176.870 0.061 0.000 1.091 504 L CA 0.453 55.356 54.840 0.105 0.000 0.846 504 L CB 0.126 42.301 42.059 0.193 0.000 1.219 504 L HN 0.884 nan 8.230 nan 0.000 0.439 505 G N 4.189 112.995 108.800 0.010 0.000 2.557 505 G HA2 0.158 4.095 3.960 -0.039 0.000 0.213 505 G HA3 0.158 4.095 3.960 -0.039 0.000 0.213 505 G C 0.323 175.149 174.900 -0.123 0.000 1.221 505 G CA 0.705 45.785 45.100 -0.035 0.000 0.832 505 G HN 0.585 nan 8.290 nan 0.000 0.556 506 V N -1.376 118.474 119.914 -0.108 0.000 2.769 506 V HA 0.544 4.640 4.120 -0.039 0.000 0.312 506 V C -0.842 175.253 176.094 0.002 0.000 1.058 506 V CA -1.412 60.784 62.300 -0.174 0.000 0.952 506 V CB 1.660 33.477 31.823 -0.009 0.000 1.019 506 V HN 0.087 nan 8.190 nan 0.000 0.445 507 D N 2.801 123.317 120.400 0.193 0.000 2.515 507 D HA 0.301 4.918 4.640 -0.039 0.000 0.232 507 D C 0.368 176.714 176.300 0.076 0.000 1.157 507 D CA 0.963 55.056 54.000 0.155 0.000 0.871 507 D CB 0.255 41.188 40.800 0.221 0.000 1.200 507 D HN 0.931 nan 8.370 nan 0.000 0.466 508 R N 1.329 121.839 120.500 0.017 0.000 2.728 508 R HA 0.120 4.436 4.340 -0.039 0.000 0.274 508 R C -1.219 175.101 176.300 0.033 0.000 1.032 508 R CA -0.876 55.247 56.100 0.039 0.000 0.866 508 R CB 0.029 30.352 30.300 0.037 0.000 1.263 508 R HN 0.305 nan 8.270 nan 0.000 0.475 509 Y N 2.926 123.199 120.300 -0.045 0.000 2.865 509 Y HA -0.095 4.430 4.550 -0.041 0.000 0.338 509 Y C 1.020 176.878 175.900 -0.069 0.000 1.269 509 Y CA 1.059 59.130 58.100 -0.049 0.000 1.585 509 Y CB 0.586 39.027 38.460 -0.033 0.000 1.224 509 Y HN 0.546 nan 8.280 nan 0.000 0.554 510 M N 4.401 123.766 119.600 -0.392 0.000 2.571 510 M HA 0.095 4.552 4.480 -0.039 0.000 0.259 510 M C 2.202 178.313 176.300 -0.316 0.000 1.205 510 M CA 0.925 56.042 55.300 -0.305 0.000 1.138 510 M CB -1.069 31.337 32.600 -0.323 0.000 1.329 510 M HN 0.782 nan 8.290 nan 0.000 0.503 511 A N 1.904 124.379 122.820 -0.575 0.000 1.894 511 A HA -0.253 4.044 4.320 -0.039 0.000 0.220 511 A C 1.814 179.336 177.584 -0.103 0.000 1.237 511 A CA 2.553 54.374 52.037 -0.360 0.000 0.660 511 A CB -0.970 17.742 19.000 -0.481 0.000 0.835 511 A HN 0.455 nan 8.150 nan 0.000 0.461 512 D N -0.288 120.132 120.400 0.033 0.000 2.144 512 D HA -0.112 4.505 4.640 -0.039 0.000 0.199 512 D C 1.439 177.765 176.300 0.043 0.000 0.984 512 D CA 1.478 55.539 54.000 0.102 0.000 0.834 512 D CB -0.563 40.349 40.800 0.187 0.000 0.955 512 D HN 0.439 nan 8.370 nan 0.000 0.465 513 D N 0.558 120.967 120.400 0.016 0.000 2.104 513 D HA -0.098 4.519 4.640 -0.039 0.000 0.194 513 D C 2.262 178.571 176.300 0.014 0.000 0.994 513 D CA 0.569 54.575 54.000 0.010 0.000 0.830 513 D CB -0.275 40.513 40.800 -0.019 0.000 0.959 513 D HN 0.299 nan 8.370 nan 0.000 0.452 514 I N 0.714 121.278 120.570 -0.009 0.000 2.353 514 I HA -0.150 3.997 4.170 -0.039 0.000 0.248 514 I C 2.110 178.241 176.117 0.022 0.000 1.119 514 I CA 0.793 62.100 61.300 0.011 0.000 1.417 514 I CB -0.187 37.806 38.000 -0.012 0.000 1.078 514 I HN -0.129 nan 8.210 nan 0.000 0.421 515 E N 0.810 121.018 120.200 0.014 0.000 2.150 515 E HA -0.175 4.151 4.350 -0.039 0.000 0.193 515 E C 2.147 178.762 176.600 0.026 0.000 0.985 515 E CA 1.002 57.414 56.400 0.021 0.000 0.814 515 E CB -0.249 29.465 29.700 0.023 0.000 0.752 515 E HN 0.344 nan 8.360 nan 0.000 0.466 516 L N 0.075 121.315 121.223 0.028 0.000 2.027 516 L HA -0.126 4.191 4.340 -0.039 0.000 0.206 516 L C 2.298 179.186 176.870 0.030 0.000 1.074 516 L CA 1.080 55.934 54.840 0.024 0.000 0.745 516 L CB -0.259 41.814 42.059 0.024 0.000 0.898 516 L HN -0.077 nan 8.230 nan 0.000 0.433 517 V N -0.672 119.276 119.914 0.057 0.000 2.453 517 V HA -0.172 3.924 4.120 -0.039 0.000 0.247 517 V C 2.640 178.785 176.094 0.085 0.000 1.048 517 V CA 1.251 63.613 62.300 0.103 0.000 1.049 517 V CB -0.831 31.070 31.823 0.131 0.000 0.672 517 V HN 0.533 nan 8.190 nan 0.000 0.457 518 A N 0.069 122.922 122.820 0.055 0.000 1.940 518 A HA -0.276 4.021 4.320 -0.039 0.000 0.219 518 A C 1.944 179.551 177.584 0.037 0.000 1.176 518 A CA 2.246 54.310 52.037 0.044 0.000 0.631 518 A CB -0.600 18.422 19.000 0.037 0.000 0.814 518 A HN 0.530 nan 8.150 nan 0.000 0.446 519 D N -0.156 120.260 120.400 0.026 0.000 2.097 519 D HA 0.007 4.624 4.640 -0.039 0.000 0.197 519 D C 2.295 178.594 176.300 -0.002 0.000 0.984 519 D CA 1.514 55.521 54.000 0.011 0.000 0.826 519 D CB -0.428 40.374 40.800 0.003 0.000 0.973 519 D HN 0.401 nan 8.370 nan 0.000 0.460 520 A N 0.512 123.322 122.820 -0.016 0.000 1.865 520 A HA -0.170 4.126 4.320 -0.039 0.000 0.217 520 A C 2.311 179.879 177.584 -0.028 0.000 1.191 520 A CA 1.199 53.185 52.037 -0.086 0.000 0.623 520 A CB -0.998 17.882 19.000 -0.200 0.000 0.826 520 A HN 0.232 nan 8.150 nan 0.000 0.444 521 L N -0.424 120.854 121.223 0.090 0.000 2.127 521 L HA -0.190 4.126 4.340 -0.039 0.000 0.211 521 L C 2.906 179.815 176.870 0.064 0.000 1.089 521 L CA 1.562 56.474 54.840 0.120 0.000 0.757 521 L CB -0.330 41.763 42.059 0.056 0.000 0.899 521 L HN 0.508 nan 8.230 nan 0.000 0.434 522 S N 0.112 115.836 115.700 0.040 0.000 2.382 522 S HA -0.147 4.300 4.470 -0.039 0.000 0.228 522 S C 1.827 176.441 174.600 0.024 0.000 1.027 522 S CA 1.048 59.268 58.200 0.033 0.000 0.991 522 S CB -0.106 63.110 63.200 0.026 0.000 0.823 522 S HN 0.417 nan 8.310 nan 0.000 0.469 523 R N 0.464 120.967 120.500 0.005 0.000 2.363 523 R HA 0.251 4.568 4.340 -0.039 0.000 0.236 523 R C 1.271 177.567 176.300 -0.006 0.000 0.966 523 R CA 0.418 56.515 56.100 -0.006 0.000 1.100 523 R CB -0.462 29.822 30.300 -0.028 0.000 1.125 523 R HN 0.431 nan 8.270 nan 0.000 0.514 524 G N 1.931 110.741 108.800 0.018 0.000 2.341 524 G HA2 -0.296 3.640 3.960 -0.039 0.000 0.292 524 G HA3 -0.296 3.640 3.960 -0.039 0.000 0.292 524 G C 0.711 175.611 174.900 -0.000 0.000 1.021 524 G CA 0.364 45.486 45.100 0.037 0.000 0.905 524 G HN 0.378 nan 8.290 nan 0.000 0.508 525 E N -1.030 119.123 120.200 -0.078 0.000 2.204 525 E HA -0.036 4.291 4.350 -0.039 0.000 0.194 525 E C 1.943 178.377 176.600 -0.276 0.000 0.989 525 E CA 0.924 57.192 56.400 -0.220 0.000 0.824 525 E CB -0.113 29.363 29.700 -0.372 0.000 0.756 525 E HN 0.678 nan 8.360 nan 0.000 0.477 526 F N 0.241 120.157 119.950 -0.058 0.000 2.270 526 F HA -0.032 4.470 4.527 -0.042 0.000 0.295 526 F C 2.211 178.032 175.800 0.035 0.000 1.087 526 F CA 0.213 58.201 58.000 -0.020 0.000 1.365 526 F CB -0.328 38.627 39.000 -0.074 0.000 1.056 526 F HN 0.003 nan 8.300 nan 0.000 0.506 527 L N 0.154 121.494 121.223 0.196 0.000 2.201 527 L HA -0.103 4.214 4.340 -0.039 0.000 0.212 527 L C 2.373 179.291 176.870 0.081 0.000 1.105 527 L CA 1.461 56.380 54.840 0.132 0.000 0.775 527 L CB -0.494 41.629 42.059 0.106 0.000 0.913 527 L HN -0.068 nan 8.230 nan 0.000 0.440 528 R N -0.134 120.393 120.500 0.046 0.000 2.056 528 R HA 0.010 4.326 4.340 -0.039 0.000 0.227 528 R C 2.297 178.610 176.300 0.022 0.000 1.149 528 R CA 1.550 57.660 56.100 0.017 0.000 0.937 528 R CB -0.916 29.373 30.300 -0.020 0.000 0.835 528 R HN 0.382 nan 8.270 nan 0.000 0.430 529 A N 0.844 123.669 122.820 0.009 0.000 2.104 529 A HA -0.198 4.099 4.320 -0.039 0.000 0.223 529 A C 2.044 179.664 177.584 0.061 0.000 1.164 529 A CA 1.622 53.675 52.037 0.027 0.000 0.659 529 A CB -0.730 18.287 19.000 0.027 0.000 0.808 529 A HN 0.373 nan 8.150 nan 0.000 0.465 530 I N -1.135 119.482 120.570 0.077 0.000 2.584 530 I HA -0.119 4.027 4.170 -0.039 0.000 0.255 530 I C 2.804 178.950 176.117 0.048 0.000 1.145 530 I CA 1.282 62.627 61.300 0.074 0.000 1.462 530 I CB -1.199 36.854 38.000 0.088 0.000 1.102 530 I HN 0.382 nan 8.210 nan 0.000 0.433 531 A N 0.593 123.438 122.820 0.041 0.000 1.930 531 A HA -0.115 4.182 4.320 -0.039 0.000 0.215 531 A C 2.348 179.946 177.584 0.023 0.000 1.176 531 A CA 1.014 53.069 52.037 0.030 0.000 0.632 531 A CB -0.351 18.665 19.000 0.027 0.000 0.819 531 A HN 0.268 nan 8.150 nan 0.000 0.445 532 R N -0.829 119.684 120.500 0.022 0.000 2.276 532 R HA 0.109 4.425 4.340 -0.039 0.000 0.196 532 R C 1.003 177.315 176.300 0.021 0.000 0.961 532 R CA 0.573 56.683 56.100 0.018 0.000 1.024 532 R CB 0.244 30.551 30.300 0.012 0.000 0.940 532 R HN 0.335 nan 8.270 nan 0.000 0.480 533 E N -0.310 119.908 120.200 0.029 0.000 2.489 533 E HA 0.044 4.370 4.350 -0.039 0.000 0.204 533 E C 0.288 176.905 176.600 0.029 0.000 1.006 533 E CA 0.474 56.894 56.400 0.033 0.000 0.936 533 E CB 1.241 30.970 29.700 0.048 0.000 1.002 533 E HN 0.229 nan 8.360 nan 0.000 0.488 534 T N -2.318 112.251 114.554 0.025 0.000 2.812 534 T HA 0.295 4.622 4.350 -0.039 0.000 0.294 534 T C -0.379 174.330 174.700 0.014 0.000 1.159 534 T CA -0.745 61.365 62.100 0.017 0.000 1.008 534 T CB 1.729 70.608 68.868 0.018 0.000 1.289 534 T HN -0.330 nan 8.240 nan 0.000 0.514 535 D N 0.844 121.249 120.400 0.008 0.000 2.358 535 D HA 0.261 4.877 4.640 -0.039 0.000 0.224 535 D C 0.398 176.702 176.300 0.006 0.000 1.123 535 D CA 0.020 54.024 54.000 0.007 0.000 0.833 535 D CB 0.078 40.880 40.800 0.003 0.000 0.946 535 D HN 0.541 nan 8.370 nan 0.000 0.505 536 I N 1.660 122.235 120.570 0.009 0.000 2.496 536 I HA -0.000 4.146 4.170 -0.039 0.000 0.285 536 I C 0.532 176.657 176.117 0.013 0.000 1.080 536 I CA -0.057 61.247 61.300 0.008 0.000 1.404 536 I CB 0.723 38.728 38.000 0.008 0.000 1.403 536 I HN -0.336 nan 8.210 nan 0.000 0.539 537 Q N 7.425 127.232 119.800 0.011 0.000 2.372 537 Q HA 0.467 4.784 4.340 -0.039 0.000 0.259 537 Q C -0.793 175.218 176.000 0.019 0.000 0.993 537 Q CA -0.530 55.282 55.803 0.015 0.000 0.854 537 Q CB 2.432 31.177 28.738 0.011 0.000 1.231 537 Q HN 0.575 nan 8.270 nan 0.000 0.462 538 L N 3.405 124.645 121.223 0.027 0.000 2.276 538 L HA 0.391 4.708 4.340 -0.039 0.000 0.286 538 L C 0.819 177.714 176.870 0.042 0.000 1.061 538 L CA -0.359 54.502 54.840 0.035 0.000 0.807 538 L CB 0.844 42.929 42.059 0.044 0.000 1.177 538 L HN 0.390 nan 8.230 nan 0.000 0.429 539 R N 0.000 120.528 120.500 0.047 0.000 2.786 539 R HA 0.000 4.316 4.340 -0.039 0.000 0.208 539 R CA 0.000 56.138 56.100 0.063 0.000 0.921 539 R CB 0.000 30.341 30.300 0.068 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535