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 3kdz_1_B DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIFGVTTGYG EMIYMQVDKS 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 62.303 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 0.407 nan 4.420 nan 0.000 0.287 12 P C -0.595 176.708 177.300 0.005 0.000 1.281 12 P CA 0.124 63.227 63.100 0.005 0.000 0.781 12 P CB 1.472 33.175 31.700 0.005 0.000 0.903 13 V N 2.973 122.890 119.914 0.005 0.000 2.555 13 V HA 0.082 4.184 4.120 -0.031 0.000 0.286 13 V C 0.843 176.939 176.094 0.004 0.000 1.044 13 V CA 0.189 62.492 62.300 0.005 0.000 1.026 13 V CB 1.109 32.935 31.823 0.005 0.000 0.981 13 V HN 0.571 nan 8.190 nan 0.000 0.480 14 S N 4.837 120.539 115.700 0.003 0.000 2.416 14 S HA 0.292 4.743 4.470 -0.031 0.000 0.287 14 S C -0.265 174.336 174.600 0.001 0.000 1.139 14 S CA -0.631 57.570 58.200 0.002 0.000 1.058 14 S CB 0.448 63.649 63.200 0.002 0.000 0.967 14 S HN 0.500 nan 8.310 nan 0.000 0.495 15 V N 6.514 126.428 119.914 -0.001 0.000 2.267 15 V HA 0.201 4.303 4.120 -0.031 0.000 0.254 15 V C 0.409 176.501 176.094 -0.005 0.000 1.144 15 V CA -0.409 61.889 62.300 -0.003 0.000 0.992 15 V CB 0.322 32.142 31.823 -0.005 0.000 1.199 15 V HN 0.930 nan 8.190 nan 0.000 0.493 16 D N 1.964 122.363 120.400 -0.002 0.000 2.395 16 D HA 0.176 4.797 4.640 -0.031 0.000 0.213 16 D C 1.514 177.814 176.300 0.000 0.000 1.110 16 D CA 0.357 54.356 54.000 -0.003 0.000 0.835 16 D CB 0.451 41.251 40.800 -0.000 0.000 0.965 16 D HN 0.565 nan 8.370 nan 0.000 0.505 17 G N 0.324 109.126 108.800 0.003 0.000 2.187 17 G HA2 -0.321 3.621 3.960 -0.031 0.000 0.261 17 G HA3 -0.321 3.621 3.960 -0.031 0.000 0.261 17 G C 0.753 175.665 174.900 0.020 0.000 1.000 17 G CA 0.775 45.881 45.100 0.011 0.000 0.718 17 G HN 0.414 nan 8.290 nan 0.000 0.519 18 E N -2.033 118.176 120.200 0.015 0.000 2.550 18 E HA 0.048 4.380 4.350 -0.031 0.000 0.206 18 E C 1.914 178.523 176.600 0.015 0.000 0.845 18 E CA 1.278 57.689 56.400 0.019 0.000 1.461 18 E CB 0.071 29.783 29.700 0.020 0.000 1.452 18 E HN 0.763 nan 8.360 nan 0.000 0.780 19 T N -0.880 113.681 114.554 0.012 0.000 3.145 19 T HA 0.288 4.620 4.350 -0.031 0.000 0.281 19 T C 0.482 175.189 174.700 0.011 0.000 1.003 19 T CA -0.379 61.728 62.100 0.013 0.000 0.901 19 T CB 0.022 68.897 68.868 0.011 0.000 1.112 19 T HN -0.137 nan 8.240 nan 0.000 0.535 20 L N 4.471 125.700 121.223 0.009 0.000 2.453 20 L HA 0.470 4.791 4.340 -0.031 0.000 0.272 20 L C 0.457 177.333 176.870 0.010 0.000 1.182 20 L CA 0.703 55.548 54.840 0.008 0.000 0.858 20 L CB 0.630 42.691 42.059 0.004 0.000 1.120 20 L HN 0.528 nan 8.230 nan 0.000 0.474 21 T N 0.949 115.510 114.554 0.012 0.000 2.942 21 T HA 0.440 4.771 4.350 -0.031 0.000 0.289 21 T C 1.171 175.881 174.700 0.015 0.000 1.044 21 T CA -0.580 61.530 62.100 0.017 0.000 1.023 21 T CB 1.212 70.091 68.868 0.019 0.000 1.123 21 T HN 0.257 nan 8.240 nan 0.000 0.512 22 V N 0.749 120.676 119.914 0.022 0.000 2.343 22 V HA -0.113 3.989 4.120 -0.031 0.000 0.247 22 V C 2.848 178.955 176.094 0.020 0.000 1.051 22 V CA 2.359 64.671 62.300 0.021 0.000 1.036 22 V CB -0.974 30.869 31.823 0.033 0.000 0.654 22 V HN 1.020 nan 8.190 nan 0.000 0.451 23 E N 0.821 121.035 120.200 0.023 0.000 2.110 23 E HA -0.162 4.170 4.350 -0.031 0.000 0.193 23 E C 2.119 178.727 176.600 0.015 0.000 0.988 23 E CA 1.641 58.053 56.400 0.021 0.000 0.804 23 E CB -0.515 29.198 29.700 0.022 0.000 0.745 23 E HN 0.506 nan 8.360 nan 0.000 0.458 24 A N 0.090 122.918 122.820 0.013 0.000 1.877 24 A HA -0.147 4.154 4.320 -0.031 0.000 0.216 24 A C 2.539 180.128 177.584 0.007 0.000 1.186 24 A CA 1.697 53.739 52.037 0.009 0.000 0.620 24 A CB -0.875 18.130 19.000 0.008 0.000 0.822 24 A HN 0.194 nan 8.150 nan 0.000 0.443 25 V N 0.067 119.985 119.914 0.006 0.000 2.332 25 V HA -0.301 3.800 4.120 -0.031 0.000 0.248 25 V C 2.665 178.760 176.094 0.001 0.000 1.055 25 V CA 2.358 64.658 62.300 0.001 0.000 1.038 25 V CB -0.815 31.006 31.823 -0.003 0.000 0.651 25 V HN 0.535 nan 8.190 nan 0.000 0.450 26 R N -0.555 119.949 120.500 0.006 0.000 2.096 26 R HA -0.120 4.202 4.340 -0.031 0.000 0.235 26 R C 2.550 178.855 176.300 0.007 0.000 1.127 26 R CA 1.336 57.440 56.100 0.007 0.000 0.968 26 R CB -0.338 29.970 30.300 0.013 0.000 0.861 26 R HN 0.482 nan 8.270 nan 0.000 0.440 27 R N 0.121 120.626 120.500 0.008 0.000 2.083 27 R HA -0.118 4.204 4.340 -0.031 0.000 0.237 27 R C 2.309 178.613 176.300 0.006 0.000 1.137 27 R CA 1.571 57.676 56.100 0.007 0.000 0.951 27 R CB -0.448 29.857 30.300 0.008 0.000 0.851 27 R HN 0.073 nan 8.270 nan 0.000 0.434 28 V N 0.778 120.695 119.914 0.006 0.000 2.343 28 V HA -0.242 3.860 4.120 -0.031 0.000 0.247 28 V C 2.401 178.498 176.094 0.006 0.000 1.051 28 V CA 2.040 64.344 62.300 0.006 0.000 1.036 28 V CB -0.653 31.173 31.823 0.005 0.000 0.654 28 V HN 0.426 nan 8.190 nan 0.000 0.451 29 A N -0.523 122.299 122.820 0.003 0.000 1.872 29 A HA -0.163 4.139 4.320 -0.031 0.000 0.214 29 A C 2.182 179.769 177.584 0.005 0.000 1.187 29 A CA 1.680 53.718 52.037 0.001 0.000 0.614 29 A CB -0.322 18.674 19.000 -0.006 0.000 0.826 29 A HN 0.604 nan 8.150 nan 0.000 0.442 30 E N -0.727 119.476 120.200 0.006 0.000 2.102 30 E HA -0.039 4.293 4.350 -0.031 0.000 0.190 30 E C 1.110 177.713 176.600 0.006 0.000 0.971 30 E CA 0.787 57.191 56.400 0.007 0.000 0.821 30 E CB 0.079 29.783 29.700 0.008 0.000 0.777 30 E HN 0.407 nan 8.360 nan 0.000 0.460 31 E N 0.374 120.577 120.200 0.005 0.000 2.476 31 E HA 0.123 4.454 4.350 -0.031 0.000 0.196 31 E C -0.256 176.347 176.600 0.005 0.000 1.029 31 E CA -0.144 56.259 56.400 0.004 0.000 0.896 31 E CB 0.412 30.114 29.700 0.004 0.000 1.012 31 E HN 0.129 nan 8.360 nan 0.000 0.475 32 R N 0.200 120.703 120.500 0.006 0.000 3.516 32 R HA -0.185 4.136 4.340 -0.031 0.000 0.271 32 R C 0.133 176.438 176.300 0.008 0.000 1.098 32 R CA 0.643 56.748 56.100 0.008 0.000 0.732 32 R CB -2.236 28.068 30.300 0.007 0.000 1.152 32 R HN 0.175 nan 8.270 nan 0.000 0.455 33 A N 0.589 123.414 122.820 0.007 0.000 2.466 33 A HA 0.231 4.533 4.320 -0.031 0.000 0.238 33 A C 0.754 178.343 177.584 0.009 0.000 1.074 33 A CA 0.425 52.466 52.037 0.007 0.000 0.774 33 A CB 0.348 19.352 19.000 0.007 0.000 1.015 33 A HN 0.237 nan 8.150 nan 0.000 0.498 34 T N 1.290 115.849 114.554 0.009 0.000 2.907 34 T HA 0.444 4.775 4.350 -0.031 0.000 0.298 34 T C 0.388 175.093 174.700 0.009 0.000 1.017 34 T CA 0.141 62.247 62.100 0.010 0.000 1.118 34 T CB 0.671 69.545 68.868 0.009 0.000 0.948 34 T HN 1.098 nan 8.240 nan 0.000 0.531 35 V N 0.385 120.306 119.914 0.011 0.000 2.732 35 V HA 0.825 4.926 4.120 -0.031 0.000 0.310 35 V C -0.679 175.419 176.094 0.006 0.000 1.053 35 V CA -1.059 61.246 62.300 0.008 0.000 0.957 35 V CB 1.901 33.729 31.823 0.008 0.000 1.018 35 V HN 0.863 nan 8.190 nan 0.000 0.452 36 D N 1.516 121.918 120.400 0.003 0.000 2.890 36 D HA 0.491 5.112 4.640 -0.031 0.000 0.233 36 D C -1.169 175.130 176.300 -0.003 0.000 1.306 36 D CA -0.376 53.625 54.000 0.001 0.000 0.929 36 D CB 2.200 43.001 40.800 0.002 0.000 1.512 36 D HN 0.601 nan 8.370 nan 0.000 0.568 37 V N 6.111 126.021 119.914 -0.006 0.000 2.389 37 V HA 0.367 4.469 4.120 -0.031 0.000 0.264 37 V C -1.598 174.491 176.094 -0.008 0.000 1.049 37 V CA -1.159 61.135 62.300 -0.009 0.000 0.932 37 V CB 0.611 32.425 31.823 -0.015 0.000 1.011 37 V HN 0.553 nan 8.190 nan 0.000 0.475 38 P HA 0.067 nan 4.420 nan 0.000 0.267 38 P C 0.769 178.065 177.300 -0.007 0.000 1.200 38 P CA 0.042 63.139 63.100 -0.005 0.000 0.772 38 P CB 1.153 32.851 31.700 -0.004 0.000 0.855 39 A N 2.710 125.526 122.820 -0.006 0.000 1.948 39 A HA -0.240 4.061 4.320 -0.031 0.000 0.220 39 A C 2.233 179.813 177.584 -0.007 0.000 1.177 39 A CA 1.863 53.896 52.037 -0.006 0.000 0.636 39 A CB -1.216 17.782 19.000 -0.003 0.000 0.815 39 A HN 0.714 nan 8.150 nan 0.000 0.449 40 E N -0.214 119.983 120.200 -0.006 0.000 2.077 40 E HA -0.148 4.184 4.350 -0.031 0.000 0.193 40 E C 2.165 178.757 176.600 -0.014 0.000 0.989 40 E CA 1.336 57.732 56.400 -0.007 0.000 0.800 40 E CB -0.081 29.616 29.700 -0.005 0.000 0.746 40 E HN 0.584 nan 8.360 nan 0.000 0.452 41 S N 0.651 116.341 115.700 -0.016 0.000 2.368 41 S HA -0.119 4.332 4.470 -0.031 0.000 0.224 41 S C 1.965 176.549 174.600 -0.027 0.000 1.029 41 S CA 0.757 58.942 58.200 -0.025 0.000 0.988 41 S CB -0.109 63.078 63.200 -0.022 0.000 0.838 41 S HN 0.286 nan 8.310 nan 0.000 0.462 42 I N 2.075 122.633 120.570 -0.021 0.000 2.163 42 I HA -0.204 3.947 4.170 -0.031 0.000 0.243 42 I C 2.742 178.848 176.117 -0.018 0.000 1.085 42 I CA 1.416 62.704 61.300 -0.020 0.000 1.347 42 I CB -1.766 36.225 38.000 -0.015 0.000 1.044 42 I HN 0.230 nan 8.210 nan 0.000 0.408 43 A N 0.833 123.646 122.820 -0.013 0.000 1.873 43 A HA -0.291 4.010 4.320 -0.031 0.000 0.218 43 A C 2.483 180.062 177.584 -0.008 0.000 1.193 43 A CA 2.309 54.342 52.037 -0.007 0.000 0.629 43 A CB -0.707 18.291 19.000 -0.004 0.000 0.826 43 A HN 0.407 nan 8.150 nan 0.000 0.447 44 K N -0.514 119.876 120.400 -0.017 0.000 2.032 44 K HA -0.107 4.194 4.320 -0.031 0.000 0.209 44 K C 2.191 178.775 176.600 -0.026 0.000 1.048 44 K CA 1.324 57.597 56.287 -0.024 0.000 0.927 44 K CB -0.369 32.099 32.500 -0.054 0.000 0.712 44 K HN 0.376 nan 8.250 nan 0.000 0.441 45 A N 0.867 123.664 122.820 -0.038 0.000 1.883 45 A HA -0.257 4.044 4.320 -0.031 0.000 0.217 45 A C 2.108 179.676 177.584 -0.027 0.000 1.186 45 A CA 1.887 53.899 52.037 -0.042 0.000 0.624 45 A CB -0.761 18.212 19.000 -0.045 0.000 0.822 45 A HN 0.456 nan 8.150 nan 0.000 0.444 46 Q N -0.005 119.785 119.800 -0.017 0.000 2.030 46 Q HA -0.199 4.123 4.340 -0.031 0.000 0.204 46 Q C 2.096 178.097 176.000 0.001 0.000 0.986 46 Q CA 2.506 58.304 55.803 -0.008 0.000 0.843 46 Q CB -0.307 28.429 28.738 -0.005 0.000 0.904 46 Q HN 0.684 nan 8.270 nan 0.000 0.420 47 K N -0.676 119.732 120.400 0.014 0.000 2.025 47 K HA -0.120 4.181 4.320 -0.031 0.000 0.207 47 K C 2.110 178.740 176.600 0.050 0.000 1.049 47 K CA 1.479 57.788 56.287 0.037 0.000 0.933 47 K CB -0.264 32.268 32.500 0.053 0.000 0.714 47 K HN 0.384 nan 8.250 nan 0.000 0.438 48 S N 0.737 116.478 115.700 0.068 0.000 2.387 48 S HA -0.228 4.224 4.470 -0.031 0.000 0.230 48 S C 2.002 176.491 174.600 -0.185 0.000 1.035 48 S CA 1.326 59.576 58.200 0.083 0.000 1.014 48 S CB -0.376 62.909 63.200 0.142 0.000 0.836 48 S HN 0.277 nan 8.310 nan 0.000 0.466 49 R N 1.839 122.287 120.500 -0.087 0.000 2.061 49 R HA 0.037 4.358 4.340 -0.031 0.000 0.230 49 R C 2.346 178.630 176.300 -0.027 0.000 1.140 49 R CA 2.096 58.164 56.100 -0.054 0.000 0.940 49 R CB -1.140 29.152 30.300 -0.014 0.000 0.839 49 R HN 0.677 nan 8.270 nan 0.000 0.429 50 E N -0.054 120.135 120.200 -0.020 0.000 2.097 50 E HA -0.218 4.114 4.350 -0.031 0.000 0.196 50 E C 1.935 178.510 176.600 -0.042 0.000 1.000 50 E CA 1.941 58.334 56.400 -0.012 0.000 0.804 50 E CB -0.184 29.517 29.700 0.002 0.000 0.740 50 E HN 0.478 nan 8.360 nan 0.000 0.454 51 I N 0.203 120.737 120.570 -0.060 0.000 2.226 51 I HA -0.231 3.921 4.170 -0.031 0.000 0.245 51 I C 2.334 178.335 176.117 -0.194 0.000 1.100 51 I CA 0.897 62.161 61.300 -0.060 0.000 1.374 51 I CB -0.377 37.676 38.000 0.089 0.000 1.057 51 I HN 0.192 nan 8.210 nan 0.000 0.413 52 F N 2.104 121.718 119.950 -0.560 0.000 2.102 52 F HA -0.219 4.290 4.527 -0.030 0.000 0.298 52 F C 2.432 178.073 175.800 -0.264 0.000 1.105 52 F CA 1.744 59.423 58.000 -0.534 0.000 1.239 52 F CB -0.357 38.279 39.000 -0.606 0.000 0.991 52 F HN 0.037 nan 8.300 nan 0.000 0.474 53 E N -0.137 119.922 120.200 -0.235 0.000 2.118 53 E HA -0.195 4.137 4.350 -0.031 0.000 0.195 53 E C 2.476 178.918 176.600 -0.262 0.000 0.992 53 E CA 0.994 57.270 56.400 -0.208 0.000 0.804 53 E CB -0.740 28.979 29.700 0.032 0.000 0.741 53 E HN 0.597 nan 8.360 nan 0.000 0.458 54 G N 1.195 109.880 108.800 -0.192 0.000 2.422 54 G HA2 -0.225 3.717 3.960 -0.031 0.000 0.218 54 G HA3 -0.225 3.717 3.960 -0.031 0.000 0.218 54 G C 1.581 176.358 174.900 -0.205 0.000 1.146 54 G CA 0.523 45.537 45.100 -0.143 0.000 0.769 54 G HN 0.128 nan 8.290 nan 0.000 0.547 55 I N 1.235 121.627 120.570 -0.296 0.000 2.202 55 I HA -0.123 4.028 4.170 -0.031 0.000 0.242 55 I C 3.311 179.169 176.117 -0.431 0.000 1.091 55 I CA 0.936 62.059 61.300 -0.295 0.000 1.368 55 I CB -0.340 37.507 38.000 -0.255 0.000 1.058 55 I HN 0.233 nan 8.210 nan 0.000 0.410 56 A N 0.473 122.837 122.820 -0.760 0.000 1.883 56 A HA -0.207 4.095 4.320 -0.031 0.000 0.217 56 A C 2.106 179.334 177.584 -0.593 0.000 1.186 56 A CA 1.467 52.950 52.037 -0.925 0.000 0.624 56 A CB -0.558 17.425 19.000 -1.696 0.000 0.822 56 A HN 0.366 nan 8.150 nan 0.000 0.444 57 E N -0.057 119.918 120.200 -0.374 0.000 2.501 57 E HA -0.169 4.163 4.350 -0.031 0.000 0.203 57 E C 1.405 177.943 176.600 -0.104 0.000 1.072 57 E CA 0.753 57.079 56.400 -0.122 0.000 0.885 57 E CB -0.164 29.512 29.700 -0.040 0.000 0.813 57 E HN 0.751 nan 8.360 nan 0.000 0.556 58 Q N -0.320 119.388 119.800 -0.153 0.000 2.282 58 Q HA 0.055 4.377 4.340 -0.031 0.000 0.206 58 Q C 0.027 175.973 176.000 -0.091 0.000 0.878 58 Q CA -0.256 55.487 55.803 -0.100 0.000 0.944 58 Q CB 0.497 29.178 28.738 -0.095 0.000 1.100 58 Q HN 0.113 nan 8.270 nan 0.000 0.509 59 N N 0.947 119.574 118.700 -0.123 0.000 2.741 59 N HA -0.180 4.542 4.740 -0.031 0.000 0.251 59 N C -0.219 175.243 175.510 -0.080 0.000 1.112 59 N CA 0.954 53.949 53.050 -0.092 0.000 0.750 59 N CB -1.590 36.871 38.487 -0.043 0.000 1.119 59 N HN 0.496 nan 8.380 nan 0.000 0.561 60 I N -1.247 119.266 120.570 -0.096 0.000 2.720 60 I HA 0.403 4.555 4.170 -0.031 0.000 0.287 60 I C -1.690 174.395 176.117 -0.053 0.000 1.090 60 I CA -1.514 59.749 61.300 -0.061 0.000 1.384 60 I CB 0.493 38.462 38.000 -0.051 0.000 1.420 60 I HN -0.153 nan 8.210 nan 0.000 0.575 61 P HA 0.189 nan 4.420 nan 0.000 0.263 61 P C -0.797 176.526 177.300 0.039 0.000 1.195 61 P CA 0.539 63.637 63.100 -0.003 0.000 0.762 61 P CB 0.494 32.193 31.700 -0.002 0.000 0.799 62 I N 4.139 124.757 120.570 0.081 0.000 2.563 62 I HA 0.160 4.312 4.170 -0.031 0.000 0.285 62 I C 0.208 176.466 176.117 0.234 0.000 1.123 62 I CA -1.126 60.312 61.300 0.231 0.000 1.059 62 I CB 1.340 39.442 38.000 0.171 0.000 1.229 62 I HN 0.181 nan 8.210 nan 0.000 0.442 63 F N 6.393 126.524 119.950 0.301 0.000 2.604 63 F HA 0.238 4.746 4.527 -0.032 0.000 0.390 63 F C 1.480 177.291 175.800 0.020 0.000 1.053 63 F CA 1.677 59.755 58.000 0.131 0.000 1.256 63 F CB 0.424 39.557 39.000 0.220 0.000 0.996 63 F HN 0.811 nan 8.300 nan 0.000 0.564 64 G N 3.405 111.460 108.800 -1.241 0.000 2.189 64 G HA2 -0.293 3.648 3.960 -0.031 0.000 0.267 64 G HA3 -0.293 3.648 3.960 -0.031 0.000 0.267 64 G C 0.568 175.221 174.900 -0.412 0.000 0.975 64 G CA 0.528 44.955 45.100 -1.122 0.000 0.644 64 G HN 0.867 nan 8.290 nan 0.000 0.537 65 V N -0.211 119.572 119.914 -0.218 0.000 3.090 65 V HA 0.223 4.325 4.120 -0.031 0.000 0.237 65 V C 2.092 178.171 176.094 -0.025 0.000 1.209 65 V CA 2.342 64.644 62.300 0.004 0.000 1.209 65 V CB 0.733 32.629 31.823 0.121 0.000 0.971 65 V HN 0.865 nan 8.190 nan 0.000 0.477 66 T N -2.091 112.408 114.554 -0.091 0.000 3.170 66 T HA 0.268 4.600 4.350 -0.031 0.000 0.288 66 T C 0.411 175.048 174.700 -0.105 0.000 0.992 66 T CA 0.533 62.589 62.100 -0.074 0.000 0.909 66 T CB 0.202 69.028 68.868 -0.071 0.000 1.133 66 T HN 0.523 nan 8.240 nan 0.000 0.530 67 T N -1.724 112.709 114.554 -0.202 0.000 2.831 67 T HA 0.773 5.104 4.350 -0.031 0.000 0.287 67 T C 0.545 174.988 174.700 -0.429 0.000 1.070 67 T CA -0.372 61.596 62.100 -0.219 0.000 1.010 67 T CB 1.354 70.154 68.868 -0.113 0.000 1.264 67 T HN 0.257 nan 8.240 nan 0.000 0.532 68 G N -0.735 107.854 108.800 -0.353 0.000 2.616 68 G HA2 0.512 4.454 3.960 -0.031 0.000 0.268 68 G HA3 0.512 4.454 3.960 -0.031 0.000 0.268 68 G C -1.213 173.361 174.900 -0.544 0.000 1.213 68 G CA -0.708 44.142 45.100 -0.416 0.000 0.926 68 G HN 0.654 nan 8.290 nan 0.000 0.523 69 Y N -0.438 119.805 120.300 -0.095 0.000 2.403 69 Y HA 0.478 5.010 4.550 -0.029 0.000 0.323 69 Y C 1.370 177.354 175.900 0.141 0.000 1.226 69 Y CA 0.537 58.623 58.100 -0.023 0.000 1.235 69 Y CB 1.407 39.804 38.460 -0.105 0.000 1.248 69 Y HN 1.106 nan 8.280 nan 0.000 0.489 70 G N 1.426 110.502 108.800 0.460 0.000 2.651 70 G HA2 -0.485 3.457 3.960 -0.031 0.000 0.315 70 G HA3 -0.485 3.457 3.960 -0.031 0.000 0.315 70 G C 1.135 176.138 174.900 0.172 0.000 1.258 70 G CA 1.002 46.256 45.100 0.258 0.000 1.002 70 G HN 0.725 nan 8.290 nan 0.000 0.551 71 E N 0.532 120.805 120.200 0.123 0.000 2.204 71 E HA 0.042 4.373 4.350 -0.031 0.000 0.195 71 E C 2.454 179.083 176.600 0.048 0.000 0.990 71 E CA 1.763 58.237 56.400 0.123 0.000 0.821 71 E CB -0.250 29.535 29.700 0.142 0.000 0.750 71 E HN 0.512 nan 8.360 nan 0.000 0.477 72 M N 0.523 120.056 119.600 -0.113 0.000 2.752 72 M HA 0.144 4.606 4.480 -0.031 0.000 0.216 72 M C 1.365 177.379 176.300 -0.477 0.000 1.261 72 M CA 0.081 55.037 55.300 -0.572 0.000 1.020 72 M CB 0.028 32.411 32.600 -0.361 0.000 1.686 72 M HN 0.181 nan 8.290 nan 0.000 0.447 73 I N 0.137 120.608 120.570 -0.165 0.000 3.001 73 I HA -0.243 3.909 4.170 -0.031 0.000 0.268 73 I C 1.890 177.999 176.117 -0.014 0.000 1.267 73 I CA 1.109 62.417 61.300 0.014 0.000 1.472 73 I CB 0.080 38.205 38.000 0.209 0.000 1.089 73 I HN 0.449 nan 8.210 nan 0.000 0.468 74 Y N -0.794 119.539 120.300 0.055 0.000 2.509 74 Y HA 0.143 4.675 4.550 -0.031 0.000 0.293 74 Y C 1.033 176.945 175.900 0.020 0.000 1.133 74 Y CA -0.279 57.840 58.100 0.033 0.000 1.283 74 Y CB -0.729 37.747 38.460 0.028 0.000 1.001 74 Y HN -0.039 nan 8.280 nan 0.000 0.555 75 M N 2.959 122.426 119.600 -0.223 0.000 2.184 75 M HA 0.154 4.615 4.480 -0.031 0.000 0.351 75 M C -0.579 175.682 176.300 -0.065 0.000 1.395 75 M CA -0.125 55.116 55.300 -0.098 0.000 1.117 75 M CB 0.717 33.194 32.600 -0.206 0.000 1.708 75 M HN 0.277 nan 8.290 nan 0.000 0.468 76 Q N 2.999 122.794 119.800 -0.007 0.000 2.256 76 Q HA 0.558 4.879 4.340 -0.031 0.000 0.254 76 Q C -0.742 175.242 176.000 -0.026 0.000 0.916 76 Q CA -0.389 55.404 55.803 -0.017 0.000 0.932 76 Q CB 1.792 30.534 28.738 0.007 0.000 1.207 76 Q HN 0.465 nan 8.270 nan 0.000 0.426 77 V N 2.077 121.966 119.914 -0.041 0.000 2.448 77 V HA 0.164 4.266 4.120 -0.031 0.000 0.295 77 V C 0.023 176.113 176.094 -0.006 0.000 1.025 77 V CA -1.045 61.239 62.300 -0.027 0.000 0.859 77 V CB 1.878 33.673 31.823 -0.046 0.000 0.988 77 V HN 0.699 nan 8.190 nan 0.000 0.431 78 D N 3.134 123.538 120.400 0.007 0.000 2.378 78 D HA 0.068 4.690 4.640 -0.031 0.000 0.238 78 D C 1.389 177.721 176.300 0.053 0.000 1.180 78 D CA 0.012 54.023 54.000 0.019 0.000 0.895 78 D CB 0.914 41.725 40.800 0.017 0.000 1.192 78 D HN 0.707 nan 8.370 nan 0.000 0.438 79 K N 0.076 120.524 120.400 0.078 0.000 2.504 79 K HA -0.069 4.232 4.320 -0.031 0.000 0.195 79 K C 1.257 177.941 176.600 0.140 0.000 1.036 79 K CA 0.833 57.236 56.287 0.193 0.000 0.984 79 K CB -0.117 32.519 32.500 0.227 0.000 0.788 79 K HN 0.298 nan 8.250 nan 0.000 0.488 80 S N 0.652 116.391 115.700 0.065 0.000 2.555 80 S HA 0.046 4.498 4.470 -0.031 0.000 0.230 80 S C 1.032 175.635 174.600 0.006 0.000 0.978 80 S CA 0.174 58.389 58.200 0.025 0.000 0.934 80 S CB 0.037 63.246 63.200 0.015 0.000 0.766 80 S HN 0.180 nan 8.310 nan 0.000 0.533 81 K N 1.251 121.664 120.400 0.022 0.000 2.514 81 K HA 0.310 4.612 4.320 -0.031 0.000 0.207 81 K C 1.181 177.782 176.600 0.002 0.000 1.035 81 K CA -0.083 56.208 56.287 0.007 0.000 1.113 81 K CB 0.139 32.648 32.500 0.015 0.000 0.846 81 K HN 0.615 nan 8.250 nan 0.000 0.491 82 E N 0.929 121.110 120.200 -0.031 0.000 2.055 82 E HA -0.225 4.107 4.350 -0.031 0.000 0.209 82 E C 1.373 177.905 176.600 -0.113 0.000 1.036 82 E CA 2.111 58.434 56.400 -0.128 0.000 0.849 82 E CB 0.169 29.522 29.700 -0.578 0.000 0.767 82 E HN -0.017 nan 8.360 nan 0.000 0.461 83 V N 0.941 120.771 119.914 -0.139 0.000 2.515 83 V HA -0.189 3.912 4.120 -0.031 0.000 0.250 83 V C 2.400 178.466 176.094 -0.048 0.000 1.058 83 V CA 2.038 64.280 62.300 -0.098 0.000 1.064 83 V CB -0.579 31.184 31.823 -0.101 0.000 0.675 83 V HN 0.352 nan 8.190 nan 0.000 0.461 84 E N -0.017 120.163 120.200 -0.033 0.000 2.047 84 E HA -0.240 4.092 4.350 -0.031 0.000 0.191 84 E C 2.208 178.817 176.600 0.015 0.000 0.987 84 E CA 1.311 57.705 56.400 -0.011 0.000 0.799 84 E CB -0.083 29.613 29.700 -0.007 0.000 0.752 84 E HN 0.438 nan 8.360 nan 0.000 0.449 85 L N 1.329 122.576 121.223 0.039 0.000 1.989 85 L HA -0.265 4.057 4.340 -0.031 0.000 0.211 85 L C 2.341 179.289 176.870 0.129 0.000 1.071 85 L CA 1.817 56.719 54.840 0.104 0.000 0.749 85 L CB -0.421 41.700 42.059 0.103 0.000 0.890 85 L HN 0.134 nan 8.230 nan 0.000 0.431 86 Q N -1.011 118.834 119.800 0.075 0.000 2.084 86 Q HA -0.149 4.172 4.340 -0.031 0.000 0.202 86 Q C 2.154 178.119 176.000 -0.058 0.000 0.978 86 Q CA 2.196 58.005 55.803 0.011 0.000 0.844 86 Q CB -0.934 27.805 28.738 0.003 0.000 0.898 86 Q HN 0.561 nan 8.270 nan 0.000 0.426 87 T N 2.140 116.670 114.554 -0.040 0.000 2.746 87 T HA -0.086 4.246 4.350 -0.031 0.000 0.267 87 T C 1.592 176.262 174.700 -0.051 0.000 1.039 87 T CA 1.285 63.354 62.100 -0.051 0.000 1.142 87 T CB -0.194 68.649 68.868 -0.041 0.000 0.866 87 T HN 0.238 nan 8.240 nan 0.000 0.444 88 N N 1.287 119.971 118.700 -0.026 0.000 2.223 88 N HA -0.034 4.687 4.740 -0.031 0.000 0.185 88 N C 1.748 177.237 175.510 -0.034 0.000 1.016 88 N CA 0.589 53.633 53.050 -0.011 0.000 0.863 88 N CB -0.591 37.912 38.487 0.027 0.000 0.983 88 N HN 0.250 nan 8.380 nan 0.000 0.429 89 L N 0.860 122.004 121.223 -0.130 0.000 1.994 89 L HA -0.078 4.243 4.340 -0.031 0.000 0.208 89 L C 2.031 178.767 176.870 -0.223 0.000 1.071 89 L CA 1.325 55.959 54.840 -0.343 0.000 0.745 89 L CB -0.686 40.880 42.059 -0.822 0.000 0.892 89 L HN -0.115 nan 8.230 nan 0.000 0.431 90 V N 0.135 119.936 119.914 -0.190 0.000 2.332 90 V HA -0.319 3.782 4.120 -0.031 0.000 0.248 90 V C 2.743 178.794 176.094 -0.071 0.000 1.055 90 V CA 2.319 64.543 62.300 -0.126 0.000 1.038 90 V CB -0.737 31.021 31.823 -0.109 0.000 0.651 90 V HN 0.469 nan 8.190 nan 0.000 0.450 91 R N 0.812 121.277 120.500 -0.058 0.000 2.061 91 R HA -0.114 4.208 4.340 -0.031 0.000 0.230 91 R C 2.589 178.875 176.300 -0.023 0.000 1.140 91 R CA 1.711 57.780 56.100 -0.051 0.000 0.940 91 R CB -0.747 29.528 30.300 -0.042 0.000 0.839 91 R HN 0.663 nan 8.270 nan 0.000 0.429 92 S N 0.180 115.892 115.700 0.021 0.000 2.469 92 S HA -0.138 4.314 4.470 -0.031 0.000 0.238 92 S C 1.186 175.770 174.600 -0.026 0.000 0.998 92 S CA 1.216 59.428 58.200 0.019 0.000 0.957 92 S CB -0.261 62.973 63.200 0.056 0.000 0.764 92 S HN 0.396 nan 8.310 nan 0.000 0.514 93 H N 0.591 119.607 119.070 -0.090 0.000 2.586 93 H HA 0.437 4.974 4.556 -0.031 0.000 0.273 93 H C 0.156 175.453 175.328 -0.052 0.000 0.997 93 H CA -0.095 55.910 56.048 -0.073 0.000 1.177 93 H CB 0.331 30.030 29.762 -0.105 0.000 1.471 93 H HN 0.284 nan 8.280 nan 0.000 0.538 94 S N 1.127 116.814 115.700 -0.022 0.000 3.869 94 S HA 0.399 4.850 4.470 -0.031 0.000 0.241 94 S C 0.714 175.306 174.600 -0.013 0.000 1.363 94 S CA 0.054 58.151 58.200 -0.171 0.000 0.894 94 S CB -0.120 62.815 63.200 -0.441 0.000 1.519 94 S HN 0.472 nan 8.310 nan 0.000 0.470 95 A N 1.867 124.762 122.820 0.125 0.000 2.643 95 A HA 0.591 4.892 4.320 -0.031 0.000 0.295 95 A C 0.895 178.570 177.584 0.151 0.000 1.065 95 A CA -0.484 51.621 52.037 0.114 0.000 0.986 95 A CB -0.002 19.003 19.000 0.008 0.000 1.212 95 A HN 0.632 nan 8.150 nan 0.000 0.516 96 G N -0.063 108.911 108.800 0.291 0.000 2.527 96 G HA2 0.510 4.451 3.960 -0.031 0.000 0.248 96 G HA3 0.510 4.451 3.960 -0.031 0.000 0.248 96 G C 0.149 175.034 174.900 -0.025 0.000 1.231 96 G CA 0.521 45.654 45.100 0.055 0.000 0.838 96 G HN 1.233 nan 8.290 nan 0.000 0.570 97 V N -0.865 119.008 119.914 -0.068 0.000 3.156 97 V HA 1.027 5.129 4.120 -0.031 0.000 0.310 97 V C 0.835 176.857 176.094 -0.120 0.000 1.234 97 V CA 0.161 62.414 62.300 -0.078 0.000 1.065 97 V CB 1.008 32.804 31.823 -0.046 0.000 1.088 97 V HN 2.519 nan 8.190 nan 0.000 0.451 98 G N 0.636 109.369 108.800 -0.111 0.000 2.681 98 G HA2 -0.031 3.910 3.960 -0.031 0.000 0.220 98 G HA3 -0.031 3.910 3.960 -0.031 0.000 0.220 98 G C -2.475 172.327 174.900 -0.164 0.000 1.353 98 G CA -0.170 44.851 45.100 -0.131 0.000 0.872 98 G HN 1.195 nan 8.290 nan 0.000 0.557 99 P HA 0.502 nan 4.420 nan 0.000 0.274 99 P C 0.140 177.281 177.300 -0.266 0.000 1.237 99 P CA -0.359 62.626 63.100 -0.192 0.000 0.793 99 P CB 0.599 32.197 31.700 -0.170 0.000 0.977 100 L N 1.321 122.425 121.223 -0.199 0.000 2.395 100 L HA 0.312 4.634 4.340 -0.031 0.000 0.269 100 L C 1.007 177.789 176.870 -0.145 0.000 1.133 100 L CA -0.737 54.002 54.840 -0.169 0.000 0.812 100 L CB -0.069 41.941 42.059 -0.082 0.000 1.125 100 L HN 0.277 nan 8.230 nan 0.000 0.452 101 F N 0.858 120.784 119.950 -0.041 0.000 2.444 101 F HA 0.288 4.812 4.527 -0.004 0.000 0.331 101 F C 1.034 176.826 175.800 -0.015 0.000 1.167 101 F CA -0.146 57.841 58.000 -0.023 0.000 1.262 101 F CB 0.735 39.726 39.000 -0.015 0.000 1.196 101 F HN 0.532 nan 8.300 nan 0.000 0.583 102 A N 1.839 124.795 122.820 0.226 0.000 2.327 102 A HA 0.133 4.435 4.320 -0.031 0.000 0.255 102 A C 1.430 179.072 177.584 0.097 0.000 1.099 102 A CA -0.208 51.899 52.037 0.116 0.000 0.801 102 A CB 0.173 19.226 19.000 0.089 0.000 1.062 102 A HN 0.947 nan 8.150 nan 0.000 0.496 103 E N 0.004 120.239 120.200 0.059 0.000 2.049 103 E HA -0.303 4.028 4.350 -0.031 0.000 0.198 103 E C 1.346 177.965 176.600 0.032 0.000 1.007 103 E CA 2.178 58.603 56.400 0.042 0.000 0.809 103 E CB -0.141 29.576 29.700 0.027 0.000 0.749 103 E HN 0.825 nan 8.360 nan 0.000 0.450 104 D N 0.096 120.512 120.400 0.028 0.000 2.144 104 D HA -0.216 4.406 4.640 -0.031 0.000 0.199 104 D C 1.549 177.847 176.300 -0.003 0.000 0.984 104 D CA 1.443 55.451 54.000 0.014 0.000 0.834 104 D CB -0.602 40.207 40.800 0.015 0.000 0.955 104 D HN 0.420 nan 8.370 nan 0.000 0.465 105 E N 0.641 120.844 120.200 0.005 0.000 2.047 105 E HA -0.040 4.292 4.350 -0.031 0.000 0.191 105 E C 2.306 178.822 176.600 -0.139 0.000 0.987 105 E CA 1.141 57.498 56.400 -0.071 0.000 0.799 105 E CB -0.193 29.506 29.700 -0.001 0.000 0.752 105 E HN 0.391 nan 8.360 nan 0.000 0.449 106 A N 1.551 124.347 122.820 -0.040 0.000 1.902 106 A HA -0.207 4.095 4.320 -0.031 0.000 0.217 106 A C 2.076 179.644 177.584 -0.027 0.000 1.181 106 A CA 1.375 53.396 52.037 -0.027 0.000 0.623 106 A CB -0.399 18.636 19.000 0.059 0.000 0.818 106 A HN 0.068 nan 8.150 nan 0.000 0.443 107 R N -0.631 119.864 120.500 -0.009 0.000 2.081 107 R HA -0.072 4.249 4.340 -0.031 0.000 0.235 107 R C 2.504 178.791 176.300 -0.021 0.000 1.131 107 R CA 1.187 57.287 56.100 -0.000 0.000 0.960 107 R CB -0.473 29.832 30.300 0.008 0.000 0.856 107 R HN 0.516 nan 8.270 nan 0.000 0.436 108 A N 1.216 124.009 122.820 -0.044 0.000 1.908 108 A HA -0.163 4.139 4.320 -0.031 0.000 0.218 108 A C 2.140 179.683 177.584 -0.069 0.000 1.181 108 A CA 1.289 53.294 52.037 -0.053 0.000 0.627 108 A CB -0.497 18.464 19.000 -0.066 0.000 0.818 108 A HN 0.192 nan 8.150 nan 0.000 0.445 109 I N -0.566 119.941 120.570 -0.106 0.000 2.179 109 I HA -0.218 3.933 4.170 -0.031 0.000 0.242 109 I C 2.357 178.443 176.117 -0.051 0.000 1.088 109 I CA 1.206 62.442 61.300 -0.106 0.000 1.357 109 I CB -0.339 37.561 38.000 -0.166 0.000 1.051 109 I HN 0.157 nan 8.210 nan 0.000 0.409 110 V N 1.052 120.949 119.914 -0.027 0.000 2.332 110 V HA -0.317 3.785 4.120 -0.031 0.000 0.248 110 V C 2.699 178.788 176.094 -0.008 0.000 1.055 110 V CA 2.018 64.317 62.300 -0.001 0.000 1.038 110 V CB -1.051 30.793 31.823 0.034 0.000 0.651 110 V HN 0.508 nan 8.190 nan 0.000 0.450 111 A N -0.008 122.806 122.820 -0.010 0.000 1.902 111 A HA -0.120 4.181 4.320 -0.031 0.000 0.217 111 A C 2.425 180.000 177.584 -0.015 0.000 1.181 111 A CA 2.106 54.137 52.037 -0.010 0.000 0.623 111 A CB -0.786 18.209 19.000 -0.009 0.000 0.818 111 A HN 0.577 nan 8.150 nan 0.000 0.443 112 A N -0.670 122.136 122.820 -0.022 0.000 1.930 112 A HA -0.113 4.189 4.320 -0.031 0.000 0.217 112 A C 2.183 179.757 177.584 -0.017 0.000 1.175 112 A CA 2.010 54.035 52.037 -0.021 0.000 0.627 112 A CB -0.396 18.586 19.000 -0.030 0.000 0.815 112 A HN 0.418 nan 8.150 nan 0.000 0.443 113 R N -0.501 119.988 120.500 -0.019 0.000 2.066 113 R HA -0.066 4.256 4.340 -0.031 0.000 0.232 113 R C 1.938 178.226 176.300 -0.020 0.000 1.131 113 R CA 1.527 57.617 56.100 -0.017 0.000 0.955 113 R CB -0.962 29.327 30.300 -0.019 0.000 0.851 113 R HN 0.439 nan 8.270 nan 0.000 0.432 114 L N 1.250 122.459 121.223 -0.023 0.000 2.042 114 L HA -0.173 4.148 4.340 -0.031 0.000 0.210 114 L C 1.828 178.686 176.870 -0.020 0.000 1.076 114 L CA 2.058 56.882 54.840 -0.027 0.000 0.749 114 L CB -1.051 40.994 42.059 -0.024 0.000 0.893 114 L HN 0.382 nan 8.230 nan 0.000 0.432 115 N N -1.526 117.166 118.700 -0.013 0.000 2.166 115 N HA -0.189 4.533 4.740 -0.031 0.000 0.186 115 N C 1.526 177.033 175.510 -0.003 0.000 1.019 115 N CA 1.820 54.865 53.050 -0.008 0.000 0.856 115 N CB 0.102 38.586 38.487 -0.005 0.000 0.993 115 N HN 0.479 nan 8.380 nan 0.000 0.426 116 T N 1.994 116.546 114.554 -0.003 0.000 2.674 116 T HA -0.073 4.259 4.350 -0.031 0.000 0.265 116 T C 2.051 176.753 174.700 0.003 0.000 1.039 116 T CA 0.887 62.990 62.100 0.006 0.000 1.150 116 T CB -0.236 68.637 68.868 0.007 0.000 0.864 116 T HN 0.193 nan 8.240 nan 0.000 0.427 117 L N 0.834 122.050 121.223 -0.013 0.000 2.083 117 L HA -0.056 4.266 4.340 -0.031 0.000 0.209 117 L C 2.997 179.848 176.870 -0.033 0.000 1.083 117 L CA 1.124 55.948 54.840 -0.027 0.000 0.752 117 L CB -0.731 41.304 42.059 -0.040 0.000 0.899 117 L HN 0.245 nan 8.230 nan 0.000 0.433 118 A N -0.079 122.725 122.820 -0.027 0.000 2.125 118 A HA -0.217 4.084 4.320 -0.031 0.000 0.219 118 A C 2.338 179.903 177.584 -0.032 0.000 1.156 118 A CA 1.396 53.415 52.037 -0.030 0.000 0.671 118 A CB -0.424 18.563 19.000 -0.021 0.000 0.794 118 A HN 0.320 nan 8.150 nan 0.000 0.459 119 K N -1.101 119.291 120.400 -0.013 0.000 2.280 119 K HA -0.027 4.274 4.320 -0.031 0.000 0.202 119 K C 1.126 177.661 176.600 -0.108 0.000 1.047 119 K CA 1.011 57.300 56.287 0.003 0.000 0.942 119 K CB -0.289 32.268 32.500 0.096 0.000 0.739 119 K HN 0.752 nan 8.250 nan 0.000 0.457 120 G N -0.008 108.705 108.800 -0.145 0.000 2.144 120 G HA2 -0.214 3.728 3.960 -0.031 0.000 0.218 120 G HA3 -0.214 3.728 3.960 -0.031 0.000 0.218 120 G C -0.023 174.630 174.900 -0.411 0.000 0.988 120 G CA 0.414 45.355 45.100 -0.264 0.000 0.659 120 G HN 0.569 nan 8.290 nan 0.000 0.522 121 H N -0.390 118.615 119.070 -0.108 0.000 2.674 121 H HA 0.439 4.976 4.556 -0.031 0.000 0.274 121 H C 1.913 177.134 175.328 -0.178 0.000 1.121 121 H CA 0.666 56.583 56.048 -0.218 0.000 1.132 121 H CB 0.992 30.514 29.762 -0.400 0.000 1.606 121 H HN 0.277 nan 8.280 nan 0.000 0.558 122 S N 0.405 116.071 115.700 -0.056 0.000 2.535 122 S HA 0.264 4.715 4.470 -0.031 0.000 0.214 122 S C 1.456 175.927 174.600 -0.215 0.000 0.980 122 S CA 0.472 58.611 58.200 -0.102 0.000 0.907 122 S CB 0.388 63.546 63.200 -0.070 0.000 0.790 122 S HN 0.595 nan 8.310 nan 0.000 0.510 123 A N 0.943 123.634 122.820 -0.216 0.000 2.783 123 A HA -0.147 4.154 4.320 -0.031 0.000 0.292 123 A C 0.364 177.791 177.584 -0.263 0.000 1.495 123 A CA 0.419 52.249 52.037 -0.345 0.000 0.787 123 A CB -2.303 16.204 19.000 -0.822 0.000 1.017 123 A HN 0.303 nan 8.150 nan 0.000 0.516 124 V N 0.130 119.953 119.914 -0.153 0.000 2.716 124 V HA 0.371 4.473 4.120 -0.031 0.000 0.304 124 V C 1.306 177.365 176.094 -0.058 0.000 1.053 124 V CA -0.709 61.535 62.300 -0.094 0.000 0.984 124 V CB 1.514 33.287 31.823 -0.082 0.000 1.021 124 V HN 0.630 nan 8.190 nan 0.000 0.467 125 R N 3.406 123.885 120.500 -0.034 0.000 2.643 125 R HA 0.138 4.460 4.340 -0.031 0.000 0.270 125 R C -1.662 174.615 176.300 -0.038 0.000 1.061 125 R CA -1.129 54.955 56.100 -0.026 0.000 1.107 125 R CB 0.314 30.602 30.300 -0.019 0.000 0.999 125 R HN 0.472 nan 8.270 nan 0.000 0.460 126 P HA -0.189 nan 4.420 nan 0.000 0.216 126 P C 1.104 178.380 177.300 -0.041 0.000 1.150 126 P CA 0.869 63.948 63.100 -0.035 0.000 0.837 126 P CB 0.071 31.755 31.700 -0.026 0.000 0.786 127 I N -0.680 119.867 120.570 -0.039 0.000 2.185 127 I HA -0.255 3.897 4.170 -0.031 0.000 0.246 127 I C 1.787 177.864 176.117 -0.067 0.000 1.088 127 I CA 1.668 62.940 61.300 -0.046 0.000 1.347 127 I CB -0.702 37.273 38.000 -0.042 0.000 1.041 127 I HN -0.157 nan 8.210 nan 0.000 0.415 128 I N 0.121 120.648 120.570 -0.071 0.000 2.179 128 I HA -0.288 3.864 4.170 -0.031 0.000 0.242 128 I C 2.491 178.550 176.117 -0.098 0.000 1.088 128 I CA 1.591 62.835 61.300 -0.092 0.000 1.357 128 I CB -1.291 36.661 38.000 -0.080 0.000 1.051 128 I HN 0.286 nan 8.210 nan 0.000 0.409 129 L N 0.090 121.269 121.223 -0.073 0.000 2.083 129 L HA -0.194 4.128 4.340 -0.031 0.000 0.209 129 L C 2.456 179.288 176.870 -0.064 0.000 1.083 129 L CA 1.356 56.157 54.840 -0.064 0.000 0.752 129 L CB -0.719 41.312 42.059 -0.048 0.000 0.899 129 L HN 0.279 nan 8.230 nan 0.000 0.433 130 E N 0.009 120.173 120.200 -0.059 0.000 2.031 130 E HA -0.243 4.089 4.350 -0.031 0.000 0.193 130 E C 2.271 178.832 176.600 -0.065 0.000 0.994 130 E CA 0.925 57.297 56.400 -0.047 0.000 0.800 130 E CB -0.073 29.605 29.700 -0.035 0.000 0.752 130 E HN 0.162 nan 8.360 nan 0.000 0.447 131 R N 0.916 121.350 120.500 -0.111 0.000 2.105 131 R HA -0.141 4.180 4.340 -0.031 0.000 0.239 131 R C 2.041 178.156 176.300 -0.308 0.000 1.135 131 R CA 1.014 56.998 56.100 -0.194 0.000 0.967 131 R CB -0.708 29.434 30.300 -0.263 0.000 0.861 131 R HN 0.109 nan 8.270 nan 0.000 0.442 132 L N 0.075 121.146 121.223 -0.253 0.000 1.989 132 L HA -0.038 4.284 4.340 -0.031 0.000 0.211 132 L C 2.270 179.104 176.870 -0.060 0.000 1.071 132 L CA 2.321 57.039 54.840 -0.203 0.000 0.749 132 L CB -1.357 40.626 42.059 -0.126 0.000 0.890 132 L HN 0.309 nan 8.230 nan 0.000 0.431 133 A N -1.535 121.264 122.820 -0.035 0.000 1.908 133 A HA -0.304 3.998 4.320 -0.031 0.000 0.218 133 A C 2.292 179.905 177.584 0.049 0.000 1.181 133 A CA 1.915 53.957 52.037 0.008 0.000 0.627 133 A CB -0.650 18.349 19.000 -0.002 0.000 0.818 133 A HN 0.586 nan 8.150 nan 0.000 0.445 134 Q N -1.905 117.929 119.800 0.057 0.000 2.124 134 Q HA -0.219 4.102 4.340 -0.031 0.000 0.202 134 Q C 1.823 177.959 176.000 0.226 0.000 0.977 134 Q CA 1.755 57.628 55.803 0.117 0.000 0.850 134 Q CB -0.235 28.576 28.738 0.122 0.000 0.901 134 Q HN 0.737 nan 8.270 nan 0.000 0.429 135 Y N 0.438 120.736 120.300 -0.003 0.000 2.181 135 Y HA -0.202 4.329 4.550 -0.032 0.000 0.288 135 Y C 2.057 177.957 175.900 0.001 0.000 1.146 135 Y CA 0.888 58.988 58.100 0.000 0.000 1.164 135 Y CB -0.489 37.971 38.460 0.001 0.000 0.982 135 Y HN 0.133 nan 8.280 nan 0.000 0.515 136 L N -0.387 120.937 121.223 0.169 0.000 2.005 136 L HA -0.252 4.069 4.340 -0.031 0.000 0.207 136 L C 1.870 178.775 176.870 0.058 0.000 1.072 136 L CA 1.778 56.670 54.840 0.087 0.000 0.744 136 L CB -0.671 41.423 42.059 0.058 0.000 0.895 136 L HN 0.220 nan 8.230 nan 0.000 0.433 137 N N -0.588 118.146 118.700 0.057 0.000 2.381 137 N HA -0.153 4.568 4.740 -0.031 0.000 0.182 137 N C 1.074 176.602 175.510 0.031 0.000 1.025 137 N CA 0.706 53.779 53.050 0.037 0.000 0.888 137 N CB 0.141 38.648 38.487 0.034 0.000 0.965 137 N HN 0.426 nan 8.380 nan 0.000 0.438 138 E N -0.603 119.620 120.200 0.038 0.000 2.498 138 E HA 0.143 4.475 4.350 -0.031 0.000 0.203 138 E C 0.657 177.250 176.600 -0.012 0.000 1.013 138 E CA -0.083 56.325 56.400 0.013 0.000 0.927 138 E CB 0.882 30.592 29.700 0.016 0.000 1.012 138 E HN 0.329 nan 8.360 nan 0.000 0.482 139 G N 2.176 110.973 108.800 -0.006 0.000 2.137 139 G HA2 -0.276 3.666 3.960 -0.031 0.000 0.237 139 G HA3 -0.276 3.666 3.960 -0.031 0.000 0.237 139 G C 0.192 175.056 174.900 -0.059 0.000 1.002 139 G CA -0.169 44.918 45.100 -0.021 0.000 0.702 139 G HN 0.258 nan 8.290 nan 0.000 0.515 140 I N 2.382 122.883 120.570 -0.115 0.000 2.294 140 I HA 0.233 4.385 4.170 -0.031 0.000 0.295 140 I C 0.321 176.356 176.117 -0.137 0.000 1.098 140 I CA 0.001 61.154 61.300 -0.245 0.000 1.277 140 I CB 0.756 38.363 38.000 -0.655 0.000 1.434 140 I HN -0.003 nan 8.210 nan 0.000 0.498 141 T N 7.606 122.124 114.554 -0.059 0.000 2.749 141 T HA 0.305 4.637 4.350 -0.031 0.000 0.287 141 T C -2.356 172.367 174.700 0.039 0.000 0.970 141 T CA -1.407 60.700 62.100 0.012 0.000 0.980 141 T CB 1.195 70.076 68.868 0.021 0.000 0.924 141 T HN 0.220 nan 8.240 nan 0.000 0.456 142 P HA 0.265 nan 4.420 nan 0.000 0.269 142 P C -0.947 176.429 177.300 0.126 0.000 1.209 142 P CA -0.417 62.758 63.100 0.124 0.000 0.776 142 P CB 0.427 32.221 31.700 0.157 0.000 0.876 143 A N 4.358 127.269 122.820 0.152 0.000 2.343 143 A HA 0.390 4.692 4.320 -0.031 0.000 0.305 143 A C -0.038 177.616 177.584 0.117 0.000 1.308 143 A CA -0.318 51.792 52.037 0.123 0.000 0.949 143 A CB -0.833 18.247 19.000 0.134 0.000 1.148 143 A HN 0.458 nan 8.150 nan 0.000 0.545 144 I N 5.420 126.056 120.570 0.110 0.000 2.354 144 I HA 0.288 4.440 4.170 -0.031 0.000 0.286 144 I C -2.178 173.948 176.117 0.015 0.000 1.007 144 I CA -2.279 59.087 61.300 0.111 0.000 1.167 144 I CB 1.990 40.159 38.000 0.282 0.000 1.320 144 I HN 0.435 nan 8.210 nan 0.000 0.458 145 P HA 0.101 nan 4.420 nan 0.000 0.271 145 P C 0.060 177.192 177.300 -0.279 0.000 1.216 145 P CA -0.033 62.890 63.100 -0.294 0.000 0.771 145 P CB 1.086 32.566 31.700 -0.366 0.000 0.864 146 E N 1.793 121.661 120.200 -0.554 0.000 2.150 146 E HA -0.053 4.279 4.350 -0.031 0.000 0.193 146 E C 0.661 177.137 176.600 -0.205 0.000 0.985 146 E CA 0.852 56.814 56.400 -0.730 0.000 0.814 146 E CB -0.016 29.147 29.700 -0.895 0.000 0.752 146 E HN 0.517 nan 8.360 nan 0.000 0.466 147 I N -0.509 119.968 120.570 -0.155 0.000 2.437 147 I HA 0.309 4.461 4.170 -0.031 0.000 0.298 147 I C 0.981 177.083 176.117 -0.024 0.000 0.984 147 I CA -0.053 61.208 61.300 -0.065 0.000 1.214 147 I CB 1.893 39.849 38.000 -0.073 0.000 1.365 147 I HN 0.137 nan 8.210 nan 0.000 0.469 148 G N 3.204 112.007 108.800 0.004 0.000 2.901 148 G HA2 -0.197 3.744 3.960 -0.031 0.000 0.194 148 G HA3 -0.197 3.744 3.960 -0.031 0.000 0.194 148 G C 0.299 175.217 174.900 0.030 0.000 1.020 148 G CA -0.004 45.107 45.100 0.019 0.000 0.787 148 G HN 0.602 nan 8.290 nan 0.000 0.477 149 S N 0.456 116.181 115.700 0.042 0.000 2.564 149 S HA 0.563 5.014 4.470 -0.031 0.000 0.278 149 S C 1.259 175.869 174.600 0.017 0.000 1.333 149 S CA -0.312 57.911 58.200 0.038 0.000 1.048 149 S CB 0.710 63.943 63.200 0.055 0.000 0.900 149 S HN 0.382 nan 8.310 nan 0.000 0.505 150 L N 4.379 125.603 121.223 0.001 0.000 2.667 150 L HA 0.339 4.661 4.340 -0.031 0.000 0.232 150 L C 1.399 178.242 176.870 -0.046 0.000 1.138 150 L CA 0.114 54.944 54.840 -0.016 0.000 0.921 150 L CB -0.961 41.087 42.059 -0.018 0.000 1.180 150 L HN 1.062 nan 8.230 nan 0.000 0.487 156 L N 0.503 121.745 121.223 0.031 0.000 1.956 156 L HA -0.211 4.111 4.340 -0.031 0.000 0.216 156 L C 2.701 179.625 176.870 0.091 0.000 1.073 156 L CA 2.233 57.101 54.840 0.046 0.000 0.762 156 L CB -0.505 41.602 42.059 0.080 0.000 0.889 156 L HN 0.227 nan 8.230 nan 0.000 0.433 157 A N 0.518 123.404 122.820 0.110 0.000 1.859 157 A HA -0.156 4.146 4.320 -0.031 0.000 0.217 157 A C 0.177 177.894 177.584 0.222 0.000 1.198 157 A CA 2.259 54.391 52.037 0.159 0.000 0.629 157 A CB -2.080 16.996 19.000 0.125 0.000 0.830 157 A HN 0.352 nan 8.150 nan 0.000 0.446 158 P HA -0.164 nan 4.420 nan 0.000 0.215 158 P C 1.545 178.947 177.300 0.170 0.000 1.153 158 P CA 1.234 64.442 63.100 0.181 0.000 0.853 158 P CB -0.259 31.550 31.700 0.182 0.000 0.788 159 L N -0.646 120.643 121.223 0.110 0.000 2.201 159 L HA -0.082 4.240 4.340 -0.031 0.000 0.212 159 L C 2.657 179.566 176.870 0.066 0.000 1.105 159 L CA 1.218 56.099 54.840 0.070 0.000 0.775 159 L CB -0.921 41.156 42.059 0.029 0.000 0.913 159 L HN -0.008 nan 8.230 nan 0.000 0.440 160 S N -1.307 114.440 115.700 0.077 0.000 2.383 160 S HA -0.177 4.275 4.470 -0.031 0.000 0.227 160 S C 1.819 176.429 174.600 0.017 0.000 1.026 160 S CA 0.955 59.169 58.200 0.022 0.000 0.981 160 S CB -0.274 62.941 63.200 0.025 0.000 0.818 160 S HN 0.479 nan 8.310 nan 0.000 0.472 161 H N 0.426 119.531 119.070 0.057 0.000 2.387 161 H HA 0.019 4.561 4.556 -0.023 0.000 0.299 161 H C 2.065 177.440 175.328 0.078 0.000 1.090 161 H CA 1.453 57.548 56.048 0.079 0.000 1.332 161 H CB -0.233 29.590 29.762 0.102 0.000 1.386 161 H HN 0.120 nan 8.280 nan 0.000 0.516 162 V N 0.328 120.349 119.914 0.179 0.000 2.307 162 V HA -0.263 3.839 4.120 -0.031 0.000 0.245 162 V C 2.559 178.699 176.094 0.077 0.000 1.045 162 V CA 1.643 64.019 62.300 0.127 0.000 1.024 162 V CB -0.983 30.893 31.823 0.088 0.000 0.651 162 V HN 0.594 nan 8.190 nan 0.000 0.449 163 A N -0.486 122.352 122.820 0.031 0.000 1.917 163 A HA -0.260 4.042 4.320 -0.031 0.000 0.219 163 A C 2.471 180.048 177.584 -0.012 0.000 1.182 163 A CA 2.393 54.422 52.037 -0.014 0.000 0.633 163 A CB -0.824 18.150 19.000 -0.043 0.000 0.819 163 A HN 0.511 nan 8.150 nan 0.000 0.448 164 S N -0.438 115.255 115.700 -0.012 0.000 2.387 164 S HA -0.187 4.265 4.470 -0.031 0.000 0.230 164 S C 2.192 176.799 174.600 0.013 0.000 1.035 164 S CA 2.037 60.220 58.200 -0.029 0.000 1.014 164 S CB -0.693 62.465 63.200 -0.070 0.000 0.836 164 S HN 0.937 nan 8.310 nan 0.000 0.466 165 T N 0.523 115.123 114.554 0.077 0.000 2.915 165 T HA 0.104 4.436 4.350 -0.031 0.000 0.269 165 T C 1.635 176.464 174.700 0.215 0.000 1.071 165 T CA 0.660 62.853 62.100 0.154 0.000 1.132 165 T CB -0.489 68.528 68.868 0.250 0.000 0.878 165 T HN 0.301 nan 8.240 nan 0.000 0.479 166 L N 0.912 122.191 121.223 0.094 0.000 2.217 166 L HA 0.246 4.568 4.340 -0.031 0.000 0.211 166 L C 2.262 179.134 176.870 0.003 0.000 1.107 166 L CA 0.989 55.816 54.840 -0.021 0.000 0.783 166 L CB -0.414 41.564 42.059 -0.135 0.000 0.919 166 L HN 0.482 nan 8.230 nan 0.000 0.442 167 I N -3.544 117.027 120.570 0.002 0.000 3.891 167 I HA 0.410 4.561 4.170 -0.031 0.000 0.331 167 I C 0.962 177.076 176.117 -0.006 0.000 1.406 167 I CA 0.134 61.426 61.300 -0.013 0.000 1.139 167 I CB -0.200 37.779 38.000 -0.035 0.000 1.056 167 I HN 0.146 nan 8.210 nan 0.000 0.399 168 G N 1.412 110.225 108.800 0.022 0.000 2.246 168 G HA2 -0.250 3.692 3.960 -0.031 0.000 0.273 168 G HA3 -0.250 3.692 3.960 -0.031 0.000 0.273 168 G C -0.252 174.623 174.900 -0.042 0.000 1.055 168 G CA 0.458 45.560 45.100 0.003 0.000 0.851 168 G HN 0.686 nan 8.290 nan 0.000 0.500 169 E N -1.690 118.479 120.200 -0.052 0.000 2.447 169 E HA 0.690 5.022 4.350 -0.031 0.000 0.258 169 E C 1.077 177.595 176.600 -0.136 0.000 0.916 169 E CA -0.376 55.960 56.400 -0.106 0.000 0.846 169 E CB 1.371 31.017 29.700 -0.091 0.000 1.517 169 E HN 1.360 nan 8.360 nan 0.000 0.418 170 G N -0.417 108.255 108.800 -0.213 0.000 2.564 170 G HA2 -0.286 3.656 3.960 -0.031 0.000 0.273 170 G HA3 -0.286 3.656 3.960 -0.031 0.000 0.273 170 G C -1.107 173.553 174.900 -0.400 0.000 1.242 170 G CA 0.344 45.328 45.100 -0.194 0.000 0.951 170 G HN 0.369 nan 8.290 nan 0.000 0.564 171 Y N -2.037 118.312 120.300 0.082 0.000 2.553 171 Y HA 0.625 5.161 4.550 -0.024 0.000 0.347 171 Y C 0.319 176.255 175.900 0.059 0.000 1.019 171 Y CA -0.906 57.233 58.100 0.064 0.000 1.032 171 Y CB 2.264 40.765 38.460 0.068 0.000 1.284 171 Y HN 0.495 nan 8.280 nan 0.000 0.466 172 V N 2.887 122.915 119.914 0.191 0.000 2.628 172 V HA 0.383 4.485 4.120 -0.031 0.000 0.306 172 V C -0.765 175.384 176.094 0.091 0.000 1.045 172 V CA -0.913 61.444 62.300 0.095 0.000 0.905 172 V CB 2.074 33.900 31.823 0.005 0.000 0.997 172 V HN 0.556 nan 8.190 nan 0.000 0.436 173 L N 4.840 126.099 121.223 0.061 0.000 2.331 173 L HA 0.585 4.907 4.340 -0.031 0.000 0.278 173 L C -0.002 176.882 176.870 0.022 0.000 1.106 173 L CA 0.542 55.408 54.840 0.044 0.000 0.824 173 L CB 0.582 42.668 42.059 0.044 0.000 1.142 173 L HN 0.710 nan 8.230 nan 0.000 0.443 174 R N 2.904 123.415 120.500 0.018 0.000 2.515 174 R HA 0.252 4.574 4.340 -0.031 0.000 0.278 174 R C -0.889 175.415 176.300 0.006 0.000 1.107 174 R CA -0.538 55.567 56.100 0.008 0.000 0.945 174 R CB 0.918 31.221 30.300 0.006 0.000 1.219 174 R HN 0.722 nan 8.270 nan 0.000 0.434 175 D N 3.057 123.459 120.400 0.003 0.000 2.701 175 D HA -0.193 4.428 4.640 -0.031 0.000 0.235 175 D C 0.882 177.181 176.300 -0.001 0.000 1.155 175 D CA 2.355 56.355 54.000 0.001 0.000 0.649 175 D CB -0.722 40.078 40.800 -0.001 0.000 1.050 175 D HN 1.017 nan 8.370 nan 0.000 0.425 176 G N -1.145 107.655 108.800 0.001 0.000 2.184 176 G HA2 -0.391 3.551 3.960 -0.031 0.000 0.264 176 G HA3 -0.391 3.551 3.960 -0.031 0.000 0.264 176 G C 0.453 175.345 174.900 -0.013 0.000 0.975 176 G CA 0.551 45.649 45.100 -0.004 0.000 0.642 176 G HN 0.575 nan 8.290 nan 0.000 0.536 177 R N 0.585 121.079 120.500 -0.009 0.000 2.803 177 R HA 0.560 4.881 4.340 -0.031 0.000 0.276 177 R C -2.690 173.606 176.300 -0.007 0.000 0.978 177 R CA -1.931 54.157 56.100 -0.020 0.000 0.939 177 R CB 2.466 32.755 30.300 -0.018 0.000 1.179 177 R HN 0.090 nan 8.270 nan 0.000 0.472 178 P HA 0.148 nan 4.420 nan 0.000 0.286 178 P C -0.856 176.516 177.300 0.120 0.000 1.269 178 P CA -0.249 62.858 63.100 0.012 0.000 0.787 178 P CB 1.308 32.888 31.700 -0.199 0.000 0.920 179 V N 3.476 123.513 119.914 0.206 0.000 2.540 179 V HA 0.203 4.304 4.120 -0.031 0.000 0.302 179 V C 0.552 176.775 176.094 0.215 0.000 1.035 179 V CA -0.872 61.540 62.300 0.187 0.000 0.873 179 V CB 1.512 33.383 31.823 0.079 0.000 0.992 179 V HN 0.513 nan 8.190 nan 0.000 0.428 180 E N 2.179 122.466 120.200 0.145 0.000 2.608 180 E HA -0.048 4.284 4.350 -0.031 0.000 0.259 180 E C 0.795 177.342 176.600 -0.088 0.000 0.951 180 E CA 0.332 56.657 56.400 -0.125 0.000 0.945 180 E CB 0.654 30.276 29.700 -0.130 0.000 0.916 180 E HN 0.752 nan 8.360 nan 0.000 0.477 181 T N 2.981 117.452 114.554 -0.139 0.000 2.674 181 T HA -0.237 4.094 4.350 -0.031 0.000 0.265 181 T C 1.876 176.539 174.700 -0.063 0.000 1.039 181 T CA 1.362 63.418 62.100 -0.074 0.000 1.150 181 T CB -0.168 68.666 68.868 -0.056 0.000 0.864 181 T HN 0.656 nan 8.240 nan 0.000 0.427 182 A N 1.156 123.931 122.820 -0.075 0.000 1.971 182 A HA -0.311 3.991 4.320 -0.031 0.000 0.222 182 A C 2.248 179.808 177.584 -0.040 0.000 1.182 182 A CA 2.351 54.357 52.037 -0.052 0.000 0.649 182 A CB -0.856 18.108 19.000 -0.060 0.000 0.818 182 A HN 0.600 nan 8.150 nan 0.000 0.458 183 Q N -0.770 119.005 119.800 -0.042 0.000 1.990 183 Q HA -0.105 4.217 4.340 -0.031 0.000 0.200 183 Q C 2.086 178.068 176.000 -0.029 0.000 0.980 183 Q CA 1.813 57.599 55.803 -0.029 0.000 0.832 183 Q CB -0.226 28.500 28.738 -0.020 0.000 0.897 183 Q HN 0.423 nan 8.270 nan 0.000 0.427 184 V N 1.428 121.321 119.914 -0.036 0.000 2.370 184 V HA -0.304 3.798 4.120 -0.031 0.000 0.252 184 V C 2.235 178.296 176.094 -0.056 0.000 1.068 184 V CA 1.585 63.856 62.300 -0.048 0.000 1.061 184 V CB -0.527 31.257 31.823 -0.066 0.000 0.656 184 V HN 0.418 nan 8.190 nan 0.000 0.455 185 L N -0.454 120.739 121.223 -0.051 0.000 2.240 185 L HA -0.027 4.294 4.340 -0.031 0.000 0.211 185 L C 2.609 179.467 176.870 -0.019 0.000 1.106 185 L CA 1.127 55.946 54.840 -0.035 0.000 0.793 185 L CB -0.697 41.358 42.059 -0.008 0.000 0.927 185 L HN 0.375 nan 8.230 nan 0.000 0.446 186 A N 0.123 122.930 122.820 -0.020 0.000 1.929 186 A HA -0.137 4.164 4.320 -0.031 0.000 0.216 186 A C 2.144 179.719 177.584 -0.015 0.000 1.176 186 A CA 0.993 53.021 52.037 -0.015 0.000 0.628 186 A CB -0.174 18.816 19.000 -0.016 0.000 0.816 186 A HN 0.402 nan 8.150 nan 0.000 0.444 187 E N -0.266 119.922 120.200 -0.020 0.000 2.047 187 E HA -0.131 4.200 4.350 -0.031 0.000 0.191 187 E C 1.836 178.425 176.600 -0.019 0.000 0.987 187 E CA 0.751 57.140 56.400 -0.018 0.000 0.799 187 E CB -0.188 29.500 29.700 -0.021 0.000 0.752 187 E HN 0.295 nan 8.360 nan 0.000 0.449 188 R N 0.104 120.589 120.500 -0.025 0.000 2.316 188 R HA 0.005 4.327 4.340 -0.031 0.000 0.202 188 R C 1.050 177.343 176.300 -0.010 0.000 1.029 188 R CA 0.751 56.837 56.100 -0.023 0.000 1.018 188 R CB -0.680 29.596 30.300 -0.040 0.000 0.888 188 R HN 0.327 nan 8.270 nan 0.000 0.471 189 G N 1.801 110.596 108.800 -0.008 0.000 2.314 189 G HA2 -0.261 3.680 3.960 -0.031 0.000 0.292 189 G HA3 -0.261 3.680 3.960 -0.031 0.000 0.292 189 G C -0.084 174.820 174.900 0.007 0.000 1.059 189 G CA 0.079 45.178 45.100 -0.001 0.000 0.982 189 G HN 0.307 nan 8.290 nan 0.000 0.505 190 I N -0.500 120.078 120.570 0.012 0.000 2.465 190 I HA 0.380 4.532 4.170 -0.031 0.000 0.291 190 I C -0.027 176.108 176.117 0.030 0.000 1.014 190 I CA -1.044 60.275 61.300 0.032 0.000 1.093 190 I CB 1.931 39.967 38.000 0.060 0.000 1.267 190 I HN 0.086 nan 8.210 nan 0.000 0.431 191 E N 8.641 128.857 120.200 0.027 0.000 2.194 191 E HA 0.325 4.657 4.350 -0.031 0.000 0.284 191 E C -2.210 174.405 176.600 0.025 0.000 1.035 191 E CA -1.863 54.547 56.400 0.017 0.000 0.836 191 E CB 0.742 30.445 29.700 0.005 0.000 1.070 191 E HN 0.208 nan 8.360 nan 0.000 0.401 192 P HA -0.030 nan 4.420 nan 0.000 0.268 192 P C -0.362 176.937 177.300 -0.000 0.000 1.208 192 P CA 0.118 63.233 63.100 0.024 0.000 0.777 192 P CB 0.697 32.404 31.700 0.012 0.000 0.875 193 L N 0.643 121.859 121.223 -0.013 0.000 2.454 193 L HA 0.370 4.692 4.340 -0.031 0.000 0.256 193 L C 1.019 177.866 176.870 -0.039 0.000 1.136 193 L CA -0.466 54.354 54.840 -0.034 0.000 0.804 193 L CB 0.308 42.333 42.059 -0.056 0.000 1.181 193 L HN 0.470 nan 8.230 nan 0.000 0.469 194 E N 0.977 121.149 120.200 -0.047 0.000 2.210 194 E HA 0.396 4.727 4.350 -0.031 0.000 0.266 194 E C -1.410 175.152 176.600 -0.063 0.000 0.883 194 E CA -0.696 55.672 56.400 -0.054 0.000 0.761 194 E CB 1.601 31.268 29.700 -0.056 0.000 1.156 194 E HN 0.417 nan 8.360 nan 0.000 0.412 195 L N 4.838 126.022 121.223 -0.065 0.000 2.360 195 L HA 0.358 4.680 4.340 -0.031 0.000 0.276 195 L C 0.670 177.490 176.870 -0.083 0.000 1.121 195 L CA -0.538 54.263 54.840 -0.065 0.000 0.845 195 L CB 0.265 42.290 42.059 -0.058 0.000 1.143 195 L HN 0.425 nan 8.230 nan 0.000 0.452 196 R N 1.948 122.401 120.500 -0.079 0.000 2.719 196 R HA 0.430 4.751 4.340 -0.031 0.000 0.233 196 R C -0.557 175.726 176.300 -0.028 0.000 1.257 196 R CA -1.244 54.772 56.100 -0.140 0.000 1.109 196 R CB 0.204 30.430 30.300 -0.124 0.000 1.447 196 R HN 0.165 nan 8.270 nan 0.000 0.537 197 F N 2.304 122.288 119.950 0.056 0.000 2.460 197 F HA -0.182 4.327 4.527 -0.031 0.000 0.413 197 F C 1.788 177.673 175.800 0.142 0.000 0.967 197 F CA 1.158 59.231 58.000 0.122 0.000 1.122 197 F CB -0.156 38.972 39.000 0.214 0.000 0.927 197 F HN 0.607 nan 8.300 nan 0.000 0.527 198 K N 0.973 121.555 120.400 0.303 0.000 3.584 198 K HA -0.300 4.002 4.320 -0.031 0.000 0.300 198 K C 1.217 177.832 176.600 0.025 0.000 1.285 198 K CA 1.716 58.076 56.287 0.122 0.000 1.008 198 K CB -0.903 31.590 32.500 -0.011 0.000 1.271 198 K HN 0.796 nan 8.250 nan 0.000 0.447 199 E N -0.750 119.468 120.200 0.031 0.000 2.204 199 E HA -0.087 4.244 4.350 -0.031 0.000 0.194 199 E C 1.871 178.444 176.600 -0.045 0.000 0.989 199 E CA 0.980 57.366 56.400 -0.022 0.000 0.824 199 E CB -0.053 29.632 29.700 -0.024 0.000 0.756 199 E HN 0.577 nan 8.360 nan 0.000 0.477 200 G N 1.468 110.240 108.800 -0.046 0.000 2.395 200 G HA2 -0.202 3.740 3.960 -0.031 0.000 0.214 200 G HA3 -0.202 3.740 3.960 -0.031 0.000 0.214 200 G C 1.554 176.377 174.900 -0.128 0.000 1.177 200 G CA 0.173 45.215 45.100 -0.096 0.000 0.794 200 G HN 0.122 nan 8.290 nan 0.000 0.532 201 L N 1.487 122.646 121.223 -0.106 0.000 2.017 201 L HA 0.123 4.445 4.340 -0.031 0.000 0.208 201 L C 3.051 179.886 176.870 -0.057 0.000 1.073 201 L CA 2.227 57.004 54.840 -0.106 0.000 0.745 201 L CB -0.645 41.417 42.059 0.006 0.000 0.894 201 L HN 0.227 nan 8.230 nan 0.000 0.432 202 A N -0.772 122.023 122.820 -0.041 0.000 1.972 202 A HA -0.164 4.138 4.320 -0.031 0.000 0.219 202 A C 2.262 179.826 177.584 -0.033 0.000 1.169 202 A CA 1.879 53.897 52.037 -0.031 0.000 0.635 202 A CB -0.873 18.094 19.000 -0.055 0.000 0.810 202 A HN 0.513 nan 8.150 nan 0.000 0.446 203 L N -0.529 120.663 121.223 -0.051 0.000 2.141 203 L HA -0.115 4.207 4.340 -0.031 0.000 0.209 203 L C 2.415 179.262 176.870 -0.038 0.000 1.094 203 L CA 1.593 56.404 54.840 -0.048 0.000 0.763 203 L CB -0.309 41.714 42.059 -0.061 0.000 0.908 203 L HN 0.721 nan 8.230 nan 0.000 0.437 204 I N -4.944 115.594 120.570 -0.054 0.000 3.939 204 I HA 0.117 4.268 4.170 -0.031 0.000 0.313 204 I C 1.073 177.173 176.117 -0.029 0.000 1.274 204 I CA 0.132 61.405 61.300 -0.046 0.000 1.301 204 I CB 0.002 37.949 38.000 -0.088 0.000 1.105 204 I HN -0.003 nan 8.210 nan 0.000 0.427 205 N N 2.526 121.213 118.700 -0.021 0.000 3.111 205 N HA 0.350 5.071 4.740 -0.031 0.000 0.302 205 N C -0.150 175.428 175.510 0.113 0.000 1.317 205 N CA 0.296 53.360 53.050 0.023 0.000 1.151 205 N CB -0.097 38.419 38.487 0.049 0.000 1.456 205 N HN 0.665 nan 8.380 nan 0.000 0.547 206 G N -1.845 107.007 108.800 0.087 0.000 2.827 206 G HA2 0.265 4.207 3.960 -0.031 0.000 0.296 206 G HA3 0.265 4.207 3.960 -0.031 0.000 0.296 206 G C 0.110 175.056 174.900 0.077 0.000 1.362 206 G CA -0.370 44.794 45.100 0.107 0.000 0.809 206 G HN 0.179 nan 8.290 nan 0.000 0.522 207 T N -2.185 112.402 114.554 0.056 0.000 3.186 207 T HA 0.214 4.545 4.350 -0.031 0.000 0.257 207 T C 1.727 176.428 174.700 0.001 0.000 1.029 207 T CA 0.901 63.017 62.100 0.027 0.000 0.916 207 T CB 0.248 69.127 68.868 0.019 0.000 1.041 207 T HN 0.225 nan 8.240 nan 0.000 0.562 208 S N 1.295 116.995 115.700 -0.001 0.000 2.400 208 S HA -0.008 4.443 4.470 -0.031 0.000 0.232 208 S C 2.279 176.849 174.600 -0.051 0.000 1.025 208 S CA 1.302 59.488 58.200 -0.023 0.000 0.993 208 S CB -0.830 62.359 63.200 -0.019 0.000 0.808 208 S HN 0.794 nan 8.310 nan 0.000 0.478 209 G N 2.846 111.620 108.800 -0.043 0.000 2.552 209 G HA2 -0.270 3.671 3.960 -0.031 0.000 0.216 209 G HA3 -0.270 3.671 3.960 -0.031 0.000 0.216 209 G C 1.466 176.307 174.900 -0.097 0.000 1.240 209 G CA 1.265 46.317 45.100 -0.081 0.000 0.796 209 G HN 0.624 nan 8.290 nan 0.000 0.568 210 M N -0.417 119.158 119.600 -0.042 0.000 2.213 210 M HA 0.042 4.504 4.480 -0.031 0.000 0.263 210 M C 2.202 178.476 176.300 -0.043 0.000 1.062 210 M CA 2.163 57.443 55.300 -0.033 0.000 1.105 210 M CB -0.913 31.678 32.600 -0.015 0.000 1.385 210 M HN 0.045 nan 8.290 nan 0.000 0.417 211 T N 0.897 115.425 114.554 -0.043 0.000 2.904 211 T HA 0.067 4.399 4.350 -0.031 0.000 0.267 211 T C 1.908 176.579 174.700 -0.048 0.000 1.059 211 T CA 1.353 63.430 62.100 -0.038 0.000 1.137 211 T CB -0.446 68.404 68.868 -0.029 0.000 0.879 211 T HN 0.716 nan 8.240 nan 0.000 0.467 212 G N 1.330 110.086 108.800 -0.074 0.000 2.395 212 G HA2 -0.062 3.879 3.960 -0.031 0.000 0.214 212 G HA3 -0.062 3.879 3.960 -0.031 0.000 0.214 212 G C 1.476 176.317 174.900 -0.099 0.000 1.177 212 G CA 0.383 45.431 45.100 -0.087 0.000 0.794 212 G HN 0.385 nan 8.290 nan 0.000 0.532 213 L N 1.692 122.831 121.223 -0.140 0.000 2.017 213 L HA 0.168 4.489 4.340 -0.031 0.000 0.208 213 L C 2.799 179.644 176.870 -0.042 0.000 1.073 213 L CA 2.336 57.105 54.840 -0.118 0.000 0.745 213 L CB -1.022 40.951 42.059 -0.144 0.000 0.894 213 L HN 0.176 nan 8.230 nan 0.000 0.432 214 G N -1.589 107.192 108.800 -0.032 0.000 2.442 214 G HA2 -0.277 3.665 3.960 -0.031 0.000 0.219 214 G HA3 -0.277 3.665 3.960 -0.031 0.000 0.219 214 G C 1.593 176.495 174.900 0.002 0.000 1.141 214 G CA 0.996 46.092 45.100 -0.006 0.000 0.763 214 G HN 0.489 nan 8.290 nan 0.000 0.554 215 S N 0.348 116.043 115.700 -0.009 0.000 2.356 215 S HA -0.015 4.437 4.470 -0.031 0.000 0.223 215 S C 2.320 176.926 174.600 0.010 0.000 1.032 215 S CA 0.905 59.107 58.200 0.002 0.000 1.005 215 S CB -0.270 62.926 63.200 -0.007 0.000 0.867 215 S HN 0.334 nan 8.310 nan 0.000 0.449 216 L N 1.075 122.298 121.223 0.000 0.000 2.012 216 L HA -0.117 4.204 4.340 -0.031 0.000 0.210 216 L C 2.384 179.268 176.870 0.024 0.000 1.073 216 L CA 1.022 55.868 54.840 0.009 0.000 0.748 216 L CB -0.885 41.174 42.059 0.000 0.000 0.891 216 L HN 0.207 nan 8.230 nan 0.000 0.431 217 V N -0.606 119.323 119.914 0.025 0.000 2.237 217 V HA -0.260 3.841 4.120 -0.031 0.000 0.245 217 V C 2.436 178.557 176.094 0.045 0.000 1.046 217 V CA 1.702 64.025 62.300 0.038 0.000 1.007 217 V CB -0.402 31.445 31.823 0.040 0.000 0.638 217 V HN 0.192 nan 8.190 nan 0.000 0.445 218 V N 0.939 120.881 119.914 0.046 0.000 2.392 218 V HA -0.197 3.905 4.120 -0.031 0.000 0.249 218 V C 2.598 178.731 176.094 0.065 0.000 1.059 218 V CA 2.158 64.495 62.300 0.060 0.000 1.051 218 V CB -1.409 30.453 31.823 0.065 0.000 0.658 218 V HN 0.634 nan 8.190 nan 0.000 0.455 219 G N -0.164 108.669 108.800 0.054 0.000 2.421 219 G HA2 -0.229 3.712 3.960 -0.031 0.000 0.216 219 G HA3 -0.229 3.712 3.960 -0.031 0.000 0.216 219 G C 1.751 176.684 174.900 0.055 0.000 1.171 219 G CA 0.645 45.778 45.100 0.055 0.000 0.775 219 G HN 0.447 nan 8.290 nan 0.000 0.543 220 R N 0.481 121.010 120.500 0.048 0.000 2.115 220 R HA 0.150 4.472 4.340 -0.031 0.000 0.226 220 R C 2.990 179.323 176.300 0.054 0.000 1.100 220 R CA 0.869 56.998 56.100 0.048 0.000 0.980 220 R CB -0.300 30.026 30.300 0.042 0.000 0.875 220 R HN 0.338 nan 8.270 nan 0.000 0.445 221 A N 1.420 124.273 122.820 0.056 0.000 1.908 221 A HA -0.157 4.145 4.320 -0.031 0.000 0.218 221 A C 2.147 179.765 177.584 0.057 0.000 1.181 221 A CA 1.237 53.307 52.037 0.055 0.000 0.627 221 A CB -0.554 18.479 19.000 0.055 0.000 0.818 221 A HN 0.181 nan 8.150 nan 0.000 0.445 222 L N -0.874 120.390 121.223 0.068 0.000 2.046 222 L HA -0.211 4.110 4.340 -0.031 0.000 0.208 222 L C 2.619 179.534 176.870 0.076 0.000 1.077 222 L CA 1.702 56.591 54.840 0.081 0.000 0.747 222 L CB -0.538 41.591 42.059 0.116 0.000 0.896 222 L HN 0.470 nan 8.230 nan 0.000 0.432 223 E N -0.528 119.715 120.200 0.072 0.000 2.153 223 E HA -0.294 4.038 4.350 -0.031 0.000 0.194 223 E C 2.155 178.801 176.600 0.077 0.000 0.988 223 E CA 1.039 57.482 56.400 0.072 0.000 0.811 223 E CB -0.007 29.730 29.700 0.063 0.000 0.746 223 E HN 0.467 nan 8.360 nan 0.000 0.466 224 Q N 0.138 119.980 119.800 0.070 0.000 2.119 224 Q HA -0.118 4.203 4.340 -0.031 0.000 0.201 224 Q C 2.054 178.097 176.000 0.072 0.000 0.972 224 Q CA 1.149 56.996 55.803 0.073 0.000 0.847 224 Q CB -0.016 28.759 28.738 0.062 0.000 0.903 224 Q HN 0.234 nan 8.270 nan 0.000 0.433 225 A N 0.442 123.296 122.820 0.057 0.000 1.930 225 A HA -0.225 4.076 4.320 -0.031 0.000 0.217 225 A C 1.907 179.523 177.584 0.053 0.000 1.175 225 A CA 1.438 53.501 52.037 0.043 0.000 0.627 225 A CB -0.438 18.575 19.000 0.022 0.000 0.815 225 A HN 0.487 nan 8.150 nan 0.000 0.443 226 Q N -0.560 119.281 119.800 0.067 0.000 2.050 226 Q HA -0.222 4.099 4.340 -0.031 0.000 0.202 226 Q C 2.233 178.289 176.000 0.094 0.000 0.980 226 Q CA 1.762 57.608 55.803 0.072 0.000 0.840 226 Q CB -0.226 28.560 28.738 0.080 0.000 0.898 226 Q HN 0.766 nan 8.270 nan 0.000 0.424 227 Q N -0.223 119.655 119.800 0.130 0.000 2.291 227 Q HA -0.064 4.258 4.340 -0.031 0.000 0.205 227 Q C 1.970 178.084 176.000 0.189 0.000 0.970 227 Q CA 0.899 56.828 55.803 0.210 0.000 0.876 227 Q CB -0.042 28.833 28.738 0.228 0.000 0.935 227 Q HN 0.342 nan 8.270 nan 0.000 0.455 228 A N 1.494 124.381 122.820 0.111 0.000 1.897 228 A HA -0.199 4.103 4.320 -0.031 0.000 0.215 228 A C 1.800 179.385 177.584 0.002 0.000 1.181 228 A CA 1.257 53.331 52.037 0.061 0.000 0.620 228 A CB -0.257 18.773 19.000 0.049 0.000 0.821 228 A HN 0.295 nan 8.150 nan 0.000 0.443 229 E N -0.216 119.988 120.200 0.006 0.000 2.153 229 E HA -0.125 4.207 4.350 -0.031 0.000 0.194 229 E C 1.813 178.374 176.600 -0.065 0.000 0.988 229 E CA 1.111 57.490 56.400 -0.035 0.000 0.811 229 E CB -0.274 29.412 29.700 -0.024 0.000 0.746 229 E HN 0.697 nan 8.360 nan 0.000 0.466 230 I N 0.352 120.909 120.570 -0.022 0.000 2.202 230 I HA -0.223 3.929 4.170 -0.031 0.000 0.242 230 I C 2.499 178.510 176.117 -0.176 0.000 1.091 230 I CA 0.723 62.002 61.300 -0.034 0.000 1.368 230 I CB -0.189 37.872 38.000 0.101 0.000 1.058 230 I HN 0.036 nan 8.210 nan 0.000 0.410 231 V N 0.284 119.997 119.914 -0.336 0.000 2.667 231 V HA -0.227 3.874 4.120 -0.031 0.000 0.252 231 V C 2.371 178.262 176.094 -0.338 0.000 1.065 231 V CA 2.408 64.326 62.300 -0.635 0.000 1.083 231 V CB -0.341 30.797 31.823 -1.141 0.000 0.692 231 V HN 0.466 nan 8.190 nan 0.000 0.468 232 T N 0.537 114.967 114.554 -0.207 0.000 2.777 232 T HA -0.089 4.243 4.350 -0.031 0.000 0.266 232 T C 2.013 176.624 174.700 -0.150 0.000 1.040 232 T CA 1.546 63.565 62.100 -0.136 0.000 1.141 232 T CB -0.461 68.362 68.868 -0.075 0.000 0.868 232 T HN 0.658 nan 8.240 nan 0.000 0.444 233 A N 1.636 124.350 122.820 -0.177 0.000 1.883 233 A HA -0.050 4.252 4.320 -0.031 0.000 0.217 233 A C 2.247 179.738 177.584 -0.155 0.000 1.186 233 A CA 1.522 53.444 52.037 -0.191 0.000 0.624 233 A CB -0.919 17.971 19.000 -0.183 0.000 0.822 233 A HN 0.417 nan 8.150 nan 0.000 0.444 234 L N -0.592 120.539 121.223 -0.155 0.000 1.989 234 L HA -0.160 4.162 4.340 -0.031 0.000 0.211 234 L C 2.265 179.061 176.870 -0.122 0.000 1.071 234 L CA 2.390 57.155 54.840 -0.126 0.000 0.749 234 L CB -0.817 41.156 42.059 -0.144 0.000 0.890 234 L HN 0.347 nan 8.230 nan 0.000 0.431 235 L N -0.462 120.673 121.223 -0.146 0.000 2.042 235 L HA -0.203 4.119 4.340 -0.031 0.000 0.210 235 L C 2.411 179.209 176.870 -0.121 0.000 1.076 235 L CA 1.899 56.666 54.840 -0.123 0.000 0.749 235 L CB -0.525 41.464 42.059 -0.117 0.000 0.893 235 L HN 0.351 nan 8.230 nan 0.000 0.432 236 I N -0.728 119.773 120.570 -0.116 0.000 2.286 236 I HA -0.283 3.869 4.170 -0.031 0.000 0.248 236 I C 2.341 178.381 176.117 -0.129 0.000 1.115 236 I CA 1.401 62.632 61.300 -0.114 0.000 1.392 236 I CB -0.329 37.633 38.000 -0.063 0.000 1.065 236 I HN 0.396 nan 8.210 nan 0.000 0.418 237 E N 0.824 120.955 120.200 -0.116 0.000 2.107 237 E HA -0.157 4.175 4.350 -0.031 0.000 0.191 237 E C 2.341 178.876 176.600 -0.108 0.000 0.982 237 E CA 1.107 57.444 56.400 -0.107 0.000 0.809 237 E CB -0.124 29.515 29.700 -0.102 0.000 0.756 237 E HN 0.484 nan 8.360 nan 0.000 0.459 238 A N 1.221 123.979 122.820 -0.103 0.000 1.972 238 A HA -0.127 4.175 4.320 -0.031 0.000 0.219 238 A C 2.296 179.818 177.584 -0.103 0.000 1.169 238 A CA 1.544 53.530 52.037 -0.086 0.000 0.635 238 A CB -0.359 18.602 19.000 -0.065 0.000 0.810 238 A HN 0.236 nan 8.150 nan 0.000 0.446 239 V N -5.240 114.571 119.914 -0.171 0.000 3.483 239 V HA 0.331 4.433 4.120 -0.031 0.000 0.301 239 V C 0.590 176.505 176.094 -0.299 0.000 1.389 239 V CA 0.169 62.313 62.300 -0.260 0.000 1.101 239 V CB -0.949 30.569 31.823 -0.509 0.000 0.971 239 V HN 0.503 nan 8.190 nan 0.000 0.434 240 R N 0.198 120.582 120.500 -0.194 0.000 3.531 240 R HA -0.130 4.192 4.340 -0.031 0.000 0.280 240 R C 0.873 177.079 176.300 -0.157 0.000 1.130 240 R CA 0.562 56.579 56.100 -0.139 0.000 0.757 240 R CB -2.097 28.151 30.300 -0.087 0.000 1.218 240 R HN 0.839 nan 8.270 nan 0.000 0.454 241 G N 0.354 109.034 108.800 -0.200 0.000 2.684 241 G HA2 0.233 4.174 3.960 -0.031 0.000 0.255 241 G HA3 0.233 4.174 3.960 -0.031 0.000 0.255 241 G C 0.105 174.996 174.900 -0.014 0.000 1.219 241 G CA 0.078 45.092 45.100 -0.143 0.000 0.901 241 G HN 0.174 nan 8.290 nan 0.000 0.548 242 S N -1.965 113.757 115.700 0.036 0.000 2.592 242 S HA 0.348 4.799 4.470 -0.031 0.000 0.271 242 S C 1.542 176.232 174.600 0.151 0.000 1.326 242 S CA 0.255 58.500 58.200 0.075 0.000 1.024 242 S CB 0.935 64.178 63.200 0.071 0.000 0.921 242 S HN 0.922 nan 8.310 nan 0.000 0.527 243 T N 0.231 114.883 114.554 0.164 0.000 3.054 243 T HA 0.123 4.454 4.350 -0.031 0.000 0.255 243 T C 1.788 176.620 174.700 0.220 0.000 1.035 243 T CA 0.508 62.791 62.100 0.305 0.000 0.941 243 T CB -0.131 68.858 68.868 0.202 0.000 1.026 243 T HN 0.458 nan 8.240 nan 0.000 0.533 244 S N 2.925 118.673 115.700 0.081 0.000 2.383 244 S HA -0.017 4.435 4.470 -0.031 0.000 0.229 244 S C -0.103 174.435 174.600 -0.103 0.000 1.030 244 S CA 1.230 59.438 58.200 0.014 0.000 1.002 244 S CB -1.002 62.213 63.200 0.025 0.000 0.829 244 S HN 0.525 nan 8.310 nan 0.000 0.467 245 P HA 0.003 nan 4.420 nan 0.000 0.234 245 P C 0.278 177.314 177.300 -0.440 0.000 1.167 245 P CA 0.729 63.553 63.100 -0.460 0.000 0.763 245 P CB -0.310 31.010 31.700 -0.634 0.000 0.835 246 F N -0.825 119.202 119.950 0.128 0.000 2.695 246 F HA 0.232 4.740 4.527 -0.031 0.000 0.303 246 F C 1.425 177.315 175.800 0.151 0.000 1.091 246 F CA -0.627 57.445 58.000 0.120 0.000 1.300 246 F CB -0.609 38.404 39.000 0.021 0.000 1.071 246 F HN -0.270 nan 8.300 nan 0.000 0.578 247 L N 0.661 122.023 121.223 0.232 0.000 2.540 247 L HA -0.007 4.314 4.340 -0.031 0.000 0.276 247 L C 1.770 178.770 176.870 0.217 0.000 1.212 247 L CA -0.117 54.821 54.840 0.163 0.000 0.893 247 L CB 0.521 42.621 42.059 0.068 0.000 1.138 247 L HN 0.231 nan 8.230 nan 0.000 0.491 248 A N 3.568 126.489 122.820 0.169 0.000 1.948 248 A HA -0.198 4.103 4.320 -0.031 0.000 0.220 248 A C 2.011 179.669 177.584 0.124 0.000 1.177 248 A CA 1.754 53.893 52.037 0.170 0.000 0.636 248 A CB -0.380 18.677 19.000 0.095 0.000 0.815 248 A HN 0.894 nan 8.150 nan 0.000 0.449 249 E N -0.090 120.139 120.200 0.049 0.000 2.265 249 E HA -0.121 4.210 4.350 -0.031 0.000 0.196 249 E C 1.767 178.319 176.600 -0.080 0.000 0.996 249 E CA 1.229 57.623 56.400 -0.010 0.000 0.832 249 E CB -1.087 28.599 29.700 -0.023 0.000 0.756 249 E HN 0.517 nan 8.360 nan 0.000 0.491 250 G N -0.232 108.471 108.800 -0.161 0.000 2.650 250 G HA2 -0.106 3.835 3.960 -0.031 0.000 0.214 250 G HA3 -0.106 3.835 3.960 -0.031 0.000 0.214 250 G C 0.760 175.269 174.900 -0.652 0.000 1.136 250 G CA 0.632 45.477 45.100 -0.426 0.000 0.789 250 G HN 0.375 nan 8.290 nan 0.000 0.536 251 H N -0.771 118.294 119.070 -0.009 0.000 2.143 251 H HA 0.179 4.717 4.556 -0.030 0.000 0.238 251 H C 1.766 177.091 175.328 -0.005 0.000 0.914 251 H CA 0.222 56.271 56.048 0.002 0.000 1.154 251 H CB -0.036 29.744 29.762 0.030 0.000 1.359 251 H HN 0.085 nan 8.280 nan 0.000 0.493 252 D N 0.815 121.301 120.400 0.144 0.000 2.158 252 D HA -0.126 4.496 4.640 -0.031 0.000 0.197 252 D C 1.570 177.883 176.300 0.021 0.000 0.995 252 D CA 1.670 55.712 54.000 0.071 0.000 0.846 252 D CB 0.166 41.005 40.800 0.065 0.000 0.941 252 D HN 0.407 nan 8.370 nan 0.000 0.456 253 I N -0.589 119.982 120.570 0.001 0.000 3.300 253 I HA 0.117 4.268 4.170 -0.031 0.000 0.279 253 I C 2.141 178.229 176.117 -0.049 0.000 1.172 253 I CA 0.398 61.683 61.300 -0.025 0.000 1.431 253 I CB 0.034 38.018 38.000 -0.027 0.000 1.240 253 I HN -0.061 nan 8.210 nan 0.000 0.453 254 A N 0.477 123.253 122.820 -0.073 0.000 1.903 254 A HA 0.083 4.384 4.320 -0.031 0.000 0.213 254 A C 1.686 179.213 177.584 -0.095 0.000 1.185 254 A CA 0.742 52.724 52.037 -0.092 0.000 0.628 254 A CB 0.041 18.967 19.000 -0.124 0.000 0.830 254 A HN 0.245 nan 8.150 nan 0.000 0.446 255 R N 0.382 120.827 120.500 -0.092 0.000 2.585 255 R HA 0.213 4.535 4.340 -0.031 0.000 0.278 255 R C -2.765 173.486 176.300 -0.082 0.000 1.663 255 R CA -1.557 54.487 56.100 -0.094 0.000 1.592 255 R CB 1.123 31.398 30.300 -0.041 0.000 1.200 255 R HN 0.176 nan 8.270 nan 0.000 0.611 256 P HA 0.005 nan 4.420 nan 0.000 0.238 256 P C -0.875 176.362 177.300 -0.104 0.000 1.714 256 P CA -0.017 63.034 63.100 -0.082 0.000 0.908 256 P CB -0.364 31.297 31.700 -0.065 0.000 1.893 257 H N -0.056 119.047 119.070 0.055 0.000 2.646 257 H HA 0.101 4.639 4.556 -0.030 0.000 0.325 257 H C 1.586 176.961 175.328 0.078 0.000 1.075 257 H CA -0.076 56.004 56.048 0.054 0.000 1.421 257 H CB 1.271 31.058 29.762 0.041 0.000 1.461 257 H HN 0.201 nan 8.280 nan 0.000 0.525 258 E N 2.990 123.317 120.200 0.213 0.000 2.049 258 E HA -0.208 4.124 4.350 -0.031 0.000 0.198 258 E C 2.236 178.983 176.600 0.245 0.000 1.007 258 E CA 1.358 57.879 56.400 0.201 0.000 0.809 258 E CB -0.193 29.635 29.700 0.213 0.000 0.749 258 E HN 0.966 nan 8.360 nan 0.000 0.450 259 G N 0.654 109.607 108.800 0.254 0.000 2.442 259 G HA2 -0.353 3.588 3.960 -0.031 0.000 0.219 259 G HA3 -0.353 3.588 3.960 -0.031 0.000 0.219 259 G C 1.452 176.405 174.900 0.089 0.000 1.141 259 G CA 1.007 46.188 45.100 0.135 0.000 0.763 259 G HN 0.345 nan 8.290 nan 0.000 0.554 260 Q N -0.295 119.572 119.800 0.112 0.000 2.119 260 Q HA -0.002 4.320 4.340 -0.031 0.000 0.201 260 Q C 2.548 178.563 176.000 0.024 0.000 0.972 260 Q CA 0.894 56.751 55.803 0.090 0.000 0.847 260 Q CB -0.182 28.675 28.738 0.198 0.000 0.903 260 Q HN 0.575 nan 8.270 nan 0.000 0.433 261 I N 1.013 121.632 120.570 0.082 0.000 2.226 261 I HA -0.285 3.866 4.170 -0.031 0.000 0.245 261 I C 1.623 177.751 176.117 0.018 0.000 1.100 261 I CA 1.138 62.469 61.300 0.052 0.000 1.374 261 I CB -0.271 37.782 38.000 0.088 0.000 1.057 261 I HN 0.232 nan 8.210 nan 0.000 0.413 262 D N 0.427 120.867 120.400 0.066 0.000 2.084 262 D HA -0.156 4.466 4.640 -0.031 0.000 0.194 262 D C 2.202 178.518 176.300 0.027 0.000 0.990 262 D CA 1.683 55.725 54.000 0.071 0.000 0.826 262 D CB -0.564 40.333 40.800 0.162 0.000 0.971 262 D HN 0.234 nan 8.370 nan 0.000 0.453 263 T N 0.843 115.403 114.554 0.010 0.000 2.708 263 T HA -0.118 4.214 4.350 -0.031 0.000 0.266 263 T C 2.005 176.678 174.700 -0.046 0.000 1.037 263 T CA 1.587 63.680 62.100 -0.012 0.000 1.146 263 T CB -0.347 68.520 68.868 -0.003 0.000 0.865 263 T HN 0.207 nan 8.240 nan 0.000 0.435 264 A N 1.576 124.329 122.820 -0.113 0.000 1.883 264 A HA 0.047 4.349 4.320 -0.031 0.000 0.217 264 A C 2.662 180.215 177.584 -0.052 0.000 1.186 264 A CA 2.091 54.050 52.037 -0.130 0.000 0.624 264 A CB -1.251 17.420 19.000 -0.549 0.000 0.822 264 A HN 0.518 nan 8.150 nan 0.000 0.444 265 A N -0.001 122.793 122.820 -0.044 0.000 1.883 265 A HA -0.224 4.077 4.320 -0.031 0.000 0.217 265 A C 1.952 179.516 177.584 -0.033 0.000 1.186 265 A CA 1.977 54.004 52.037 -0.017 0.000 0.624 265 A CB -0.711 18.290 19.000 0.002 0.000 0.822 265 A HN 0.544 nan 8.150 nan 0.000 0.444 266 N N -0.439 118.239 118.700 -0.036 0.000 2.104 266 N HA -0.127 4.594 4.740 -0.031 0.000 0.190 266 N C 1.668 177.117 175.510 -0.101 0.000 1.024 266 N CA 1.602 54.625 53.050 -0.045 0.000 0.853 266 N CB -0.389 38.083 38.487 -0.025 0.000 1.008 266 N HN 0.356 nan 8.380 nan 0.000 0.424 267 M N 0.517 120.017 119.600 -0.167 0.000 2.117 267 M HA -0.053 4.409 4.480 -0.031 0.000 0.262 267 M C 1.996 178.116 176.300 -0.299 0.000 1.065 267 M CA 1.135 56.229 55.300 -0.343 0.000 1.114 267 M CB -0.926 31.272 32.600 -0.669 0.000 1.361 267 M HN 0.131 nan 8.290 nan 0.000 0.408 268 R N -0.210 120.188 120.500 -0.169 0.000 2.081 268 R HA -0.079 4.242 4.340 -0.031 0.000 0.235 268 R C 2.277 178.533 176.300 -0.073 0.000 1.131 268 R CA 1.575 57.624 56.100 -0.084 0.000 0.960 268 R CB -0.387 29.909 30.300 -0.007 0.000 0.856 268 R HN 0.402 nan 8.270 nan 0.000 0.436 269 A N 0.727 123.509 122.820 -0.064 0.000 1.930 269 A HA -0.093 4.209 4.320 -0.031 0.000 0.217 269 A C 2.087 179.637 177.584 -0.057 0.000 1.175 269 A CA 1.017 53.026 52.037 -0.045 0.000 0.627 269 A CB -0.363 18.619 19.000 -0.029 0.000 0.815 269 A HN 0.195 nan 8.150 nan 0.000 0.443 270 L N -1.285 119.887 121.223 -0.084 0.000 2.156 270 L HA -0.041 4.281 4.340 -0.031 0.000 0.208 270 L C 2.290 179.103 176.870 -0.095 0.000 1.095 270 L CA 0.959 55.749 54.840 -0.084 0.000 0.770 270 L CB -0.269 41.728 42.059 -0.105 0.000 0.914 270 L HN 0.401 nan 8.230 nan 0.000 0.439 271 M N -1.144 118.384 119.600 -0.120 0.000 2.428 271 M HA 0.077 4.539 4.480 -0.031 0.000 0.239 271 M C 0.590 176.846 176.300 -0.073 0.000 1.121 271 M CA -0.085 55.149 55.300 -0.109 0.000 1.019 271 M CB 0.202 32.715 32.600 -0.144 0.000 1.485 271 M HN 0.025 nan 8.290 nan 0.000 0.484 272 R N 1.865 122.329 120.500 -0.059 0.000 2.502 272 R HA 0.065 4.386 4.340 -0.031 0.000 0.292 272 R C 0.664 176.940 176.300 -0.041 0.000 0.998 272 R CA 1.457 57.533 56.100 -0.040 0.000 1.056 272 R CB -0.017 30.264 30.300 -0.031 0.000 0.939 272 R HN 0.580 nan 8.270 nan 0.000 0.411 273 G N 2.689 111.467 108.800 -0.037 0.000 2.132 273 G HA2 -0.277 3.665 3.960 -0.031 0.000 0.234 273 G HA3 -0.277 3.665 3.960 -0.031 0.000 0.234 273 G C 0.018 174.885 174.900 -0.055 0.000 0.989 273 G CA 0.439 45.514 45.100 -0.041 0.000 0.676 273 G HN 0.731 nan 8.290 nan 0.000 0.522 274 S N -0.354 115.312 115.700 -0.057 0.000 2.565 274 S HA 0.566 5.018 4.470 -0.031 0.000 0.274 274 S C 1.507 176.071 174.600 -0.060 0.000 1.309 274 S CA 0.870 59.028 58.200 -0.069 0.000 1.043 274 S CB 1.149 64.307 63.200 -0.070 0.000 0.939 274 S HN 1.301 nan 8.310 nan 0.000 0.504 275 G N 3.265 112.022 108.800 -0.072 0.000 3.159 275 G HA2 0.222 4.164 3.960 -0.031 0.000 0.232 275 G HA3 0.222 4.164 3.960 -0.031 0.000 0.232 275 G C 0.751 175.617 174.900 -0.057 0.000 1.116 275 G CA -0.144 44.920 45.100 -0.059 0.000 0.767 275 G HN 0.658 nan 8.290 nan 0.000 0.547 276 L N 1.013 122.197 121.223 -0.066 0.000 2.556 276 L HA 0.195 4.516 4.340 -0.031 0.000 0.226 276 L C 1.397 178.234 176.870 -0.055 0.000 1.089 276 L CA 0.315 55.117 54.840 -0.064 0.000 0.864 276 L CB 0.244 42.255 42.059 -0.080 0.000 1.067 276 L HN 0.164 nan 8.230 nan 0.000 0.477 277 T N -0.662 113.863 114.554 -0.048 0.000 2.913 277 T HA 0.498 4.830 4.350 -0.031 0.000 0.287 277 T C -0.026 174.666 174.700 -0.013 0.000 1.008 277 T CA -0.601 61.480 62.100 -0.031 0.000 1.067 277 T CB 1.950 70.806 68.868 -0.020 0.000 0.996 277 T HN -0.017 nan 8.240 nan 0.000 0.513 278 V N -1.005 118.909 119.914 0.000 0.000 3.166 278 V HA 0.766 4.867 4.120 -0.031 0.000 0.317 278 V C -0.542 175.572 176.094 0.033 0.000 1.136 278 V CA -1.144 61.161 62.300 0.009 0.000 1.035 278 V CB 1.637 33.462 31.823 0.004 0.000 1.110 278 V HN 1.044 nan 8.190 nan 0.000 0.450 279 E N -0.478 119.741 120.200 0.032 0.000 2.299 279 E HA 0.290 4.622 4.350 -0.031 0.000 0.265 279 E C 0.462 177.098 176.600 0.060 0.000 0.911 279 E CA -0.614 55.821 56.400 0.059 0.000 0.789 279 E CB 1.540 31.272 29.700 0.054 0.000 1.246 279 E HN 0.958 nan 8.360 nan 0.000 0.427 280 H N 1.994 121.073 119.070 0.015 0.000 2.426 280 H HA -0.180 4.357 4.556 -0.031 0.000 0.298 280 H C 1.304 176.638 175.328 0.010 0.000 1.107 280 H CA 2.097 58.151 56.048 0.011 0.000 1.298 280 H CB 0.304 30.067 29.762 0.002 0.000 1.377 280 H HN 0.545 nan 8.280 nan 0.000 0.519 281 A N 1.122 123.860 122.820 -0.137 0.000 1.933 281 A HA -0.153 4.149 4.320 -0.031 0.000 0.218 281 A C 2.096 179.592 177.584 -0.148 0.000 1.175 281 A CA 1.575 53.511 52.037 -0.169 0.000 0.628 281 A CB -0.268 18.722 19.000 -0.017 0.000 0.814 281 A HN 0.507 nan 8.150 nan 0.000 0.444 282 D N -0.152 120.195 120.400 -0.087 0.000 2.269 282 D HA -0.038 4.583 4.640 -0.031 0.000 0.208 282 D C 1.849 178.106 176.300 -0.072 0.000 0.963 282 D CA 0.789 54.753 54.000 -0.060 0.000 0.864 282 D CB -0.070 40.713 40.800 -0.028 0.000 0.936 282 D HN 0.490 nan 8.370 nan 0.000 0.505 283 L N 0.627 121.786 121.223 -0.107 0.000 2.145 283 L HA 0.012 4.333 4.340 -0.031 0.000 0.201 283 L C 2.661 179.460 176.870 -0.120 0.000 1.075 283 L CA 0.477 55.267 54.840 -0.085 0.000 0.773 283 L CB -0.291 41.738 42.059 -0.050 0.000 0.936 283 L HN -0.041 nan 8.230 nan 0.000 0.451 284 R N 0.539 120.898 120.500 -0.235 0.000 2.115 284 R HA -0.178 4.144 4.340 -0.031 0.000 0.230 284 R C 2.250 178.482 176.300 -0.113 0.000 1.111 284 R CA 1.344 57.330 56.100 -0.191 0.000 0.976 284 R CB -0.428 29.690 30.300 -0.303 0.000 0.870 284 R HN 0.185 nan 8.270 nan 0.000 0.445 285 R N 1.116 121.549 120.500 -0.112 0.000 2.062 285 R HA -0.116 4.205 4.340 -0.031 0.000 0.229 285 R C 2.255 178.526 176.300 -0.049 0.000 1.128 285 R CA 1.759 57.819 56.100 -0.066 0.000 0.960 285 R CB -0.084 30.181 30.300 -0.058 0.000 0.855 285 R HN 0.490 nan 8.270 nan 0.000 0.432 286 E N 0.067 120.238 120.200 -0.048 0.000 2.204 286 E HA -0.167 4.165 4.350 -0.031 0.000 0.194 286 E C 1.790 178.372 176.600 -0.032 0.000 0.989 286 E CA 0.748 57.129 56.400 -0.032 0.000 0.824 286 E CB -0.000 29.685 29.700 -0.024 0.000 0.756 286 E HN 0.386 nan 8.360 nan 0.000 0.477 287 L N 0.438 121.637 121.223 -0.040 0.000 2.072 287 L HA -0.152 4.170 4.340 -0.031 0.000 0.205 287 L C 2.651 179.502 176.870 -0.032 0.000 1.079 287 L CA 1.083 55.901 54.840 -0.036 0.000 0.752 287 L CB -0.199 41.837 42.059 -0.039 0.000 0.906 287 L HN 0.254 nan 8.230 nan 0.000 0.436 288 Q N -0.158 119.623 119.800 -0.032 0.000 2.112 288 Q HA -0.291 4.031 4.340 -0.031 0.000 0.206 288 Q C 2.147 178.134 176.000 -0.022 0.000 0.987 288 Q CA 1.833 57.621 55.803 -0.025 0.000 0.858 288 Q CB -0.033 28.691 28.738 -0.025 0.000 0.905 288 Q HN 0.467 nan 8.270 nan 0.000 0.420 289 K N 0.538 120.925 120.400 -0.022 0.000 1.991 289 K HA -0.208 4.094 4.320 -0.031 0.000 0.212 289 K C 1.803 178.392 176.600 -0.019 0.000 1.049 289 K CA 1.740 58.016 56.287 -0.019 0.000 0.932 289 K CB -0.238 32.252 32.500 -0.018 0.000 0.717 289 K HN 0.131 nan 8.250 nan 0.000 0.441 290 D N 0.748 121.135 120.400 -0.022 0.000 2.149 290 D HA -0.114 4.507 4.640 -0.031 0.000 0.194 290 D C 0.043 176.328 176.300 -0.024 0.000 1.001 290 D CA 1.352 55.337 54.000 -0.025 0.000 0.849 290 D CB 0.138 40.919 40.800 -0.031 0.000 0.939 290 D HN 0.076 nan 8.370 nan 0.000 0.449 291 K N 0.722 121.108 120.400 -0.024 0.000 2.219 291 K HA 0.178 4.479 4.320 -0.031 0.000 0.258 291 K C 0.106 176.696 176.600 -0.018 0.000 1.008 291 K CA 0.098 56.373 56.287 -0.022 0.000 0.928 291 K CB 0.712 33.200 32.500 -0.020 0.000 0.983 291 K HN 0.187 nan 8.250 nan 0.000 0.484 292 E N 0.130 120.320 120.200 -0.016 0.000 2.383 292 E HA 0.314 4.646 4.350 -0.031 0.000 0.275 292 E C -0.506 176.087 176.600 -0.012 0.000 0.918 292 E CA -0.908 55.484 56.400 -0.013 0.000 0.764 292 E CB 1.660 31.352 29.700 -0.013 0.000 1.252 292 E HN 0.513 nan 8.360 nan 0.000 0.449 293 A N 1.873 124.687 122.820 -0.010 0.000 2.216 293 A HA 0.020 4.322 4.320 -0.031 0.000 0.214 293 A C 1.654 179.233 177.584 -0.008 0.000 1.160 293 A CA 1.511 53.543 52.037 -0.009 0.000 0.725 293 A CB -0.850 18.145 19.000 -0.008 0.000 0.784 293 A HN 0.725 nan 8.150 nan 0.000 0.472 294 G N -0.271 108.523 108.800 -0.009 0.000 2.524 294 G HA2 -0.086 3.856 3.960 -0.031 0.000 0.215 294 G HA3 -0.086 3.856 3.960 -0.031 0.000 0.215 294 G C 0.994 175.889 174.900 -0.009 0.000 1.239 294 G CA 0.534 45.629 45.100 -0.009 0.000 0.798 294 G HN 0.401 nan 8.290 nan 0.000 0.557 295 K N 0.283 120.677 120.400 -0.011 0.000 2.098 295 K HA 0.202 4.504 4.320 -0.031 0.000 0.257 295 K C 0.194 176.788 176.600 -0.011 0.000 0.999 295 K CA -0.355 55.926 56.287 -0.011 0.000 0.924 295 K CB 1.521 34.013 32.500 -0.014 0.000 1.028 295 K HN -0.024 nan 8.250 nan 0.000 0.466 296 D N 0.083 120.476 120.400 -0.011 0.000 2.338 296 D HA 0.018 4.640 4.640 -0.031 0.000 0.224 296 D C -0.148 176.145 176.300 -0.012 0.000 0.967 296 D CA 0.791 54.785 54.000 -0.010 0.000 0.896 296 D CB 0.512 41.307 40.800 -0.008 0.000 1.028 296 D HN 0.311 nan 8.370 nan 0.000 0.493 297 V N 0.590 120.495 119.914 -0.014 0.000 2.407 297 V HA 0.603 4.704 4.120 -0.031 0.000 0.291 297 V C -0.788 175.294 176.094 -0.020 0.000 1.018 297 V CA -0.836 61.454 62.300 -0.017 0.000 0.842 297 V CB 1.488 33.301 31.823 -0.015 0.000 0.996 297 V HN -0.144 nan 8.190 nan 0.000 0.426 298 Q N 3.375 123.160 119.800 -0.025 0.000 2.372 298 Q HA 0.825 5.147 4.340 -0.031 0.000 0.273 298 Q C -1.180 174.796 176.000 -0.040 0.000 1.078 298 Q CA -0.933 54.852 55.803 -0.030 0.000 0.806 298 Q CB 3.116 31.837 28.738 -0.028 0.000 1.332 298 Q HN 0.788 nan 8.270 nan 0.000 0.435 299 R N 0.478 120.950 120.500 -0.047 0.000 2.562 299 R HA 0.754 5.075 4.340 -0.031 0.000 0.298 299 R C -0.851 175.403 176.300 -0.076 0.000 0.961 299 R CA -0.625 55.435 56.100 -0.066 0.000 0.881 299 R CB 1.696 31.959 30.300 -0.062 0.000 1.159 299 R HN 0.469 nan 8.270 nan 0.000 0.450 300 S N 0.385 116.020 115.700 -0.109 0.000 2.638 300 S HA 0.272 4.723 4.470 -0.031 0.000 0.302 300 S C 0.177 174.660 174.600 -0.195 0.000 1.096 300 S CA -0.926 57.200 58.200 -0.123 0.000 0.953 300 S CB 1.600 64.727 63.200 -0.122 0.000 1.107 300 S HN 0.788 nan 8.310 nan 0.000 0.503 301 E N -0.247 119.845 120.200 -0.180 0.000 2.489 301 E HA 0.189 4.521 4.350 -0.031 0.000 0.204 301 E C -0.591 175.857 176.600 -0.252 0.000 1.006 301 E CA -0.046 56.213 56.400 -0.235 0.000 0.936 301 E CB -0.059 29.583 29.700 -0.096 0.000 1.002 301 E HN 0.338 nan 8.360 nan 0.000 0.488 302 I N 2.881 123.351 120.570 -0.166 0.000 2.278 302 I HA 0.099 4.251 4.170 -0.031 0.000 0.296 302 I C -0.677 175.409 176.117 -0.051 0.000 1.121 302 I CA -0.428 60.843 61.300 -0.049 0.000 1.267 302 I CB -0.699 37.291 38.000 -0.017 0.000 1.447 302 I HN 0.037 nan 8.210 nan 0.000 0.509 303 Y N 5.417 125.740 120.300 0.038 0.000 2.526 303 Y HA 0.099 4.631 4.550 -0.030 0.000 0.330 303 Y C 0.557 176.489 175.900 0.053 0.000 1.156 303 Y CA -0.561 57.564 58.100 0.042 0.000 1.419 303 Y CB 0.337 38.828 38.460 0.051 0.000 1.250 303 Y HN 0.280 nan 8.280 nan 0.000 0.540 304 L N 4.083 125.409 121.223 0.172 0.000 2.499 304 L HA -0.003 4.319 4.340 -0.031 0.000 0.273 304 L C 0.041 177.026 176.870 0.191 0.000 1.195 304 L CA -0.221 54.706 54.840 0.144 0.000 0.882 304 L CB 0.041 42.175 42.059 0.124 0.000 1.133 304 L HN 0.638 nan 8.230 nan 0.000 0.483 305 Q N 3.730 123.631 119.800 0.168 0.000 2.286 305 Q HA 0.042 4.363 4.340 -0.031 0.000 0.290 305 Q C 0.215 176.304 176.000 0.147 0.000 1.049 305 Q CA 1.026 56.931 55.803 0.169 0.000 0.923 305 Q CB 0.389 29.204 28.738 0.128 0.000 1.183 305 Q HN 0.560 nan 8.270 nan 0.000 0.383 306 K N 1.575 122.064 120.400 0.149 0.000 2.562 306 K HA 0.337 4.639 4.320 -0.031 0.000 0.218 306 K C -0.207 176.515 176.600 0.203 0.000 1.374 306 K CA 0.154 56.535 56.287 0.157 0.000 0.996 306 K CB 0.838 33.426 32.500 0.148 0.000 1.127 306 K HN 0.538 nan 8.250 nan 0.000 0.603 307 A N 1.405 124.298 122.820 0.121 0.000 2.548 307 A HA 0.024 4.326 4.320 -0.031 0.000 0.247 307 A C 0.493 178.220 177.584 0.240 0.000 1.067 307 A CA 0.164 52.250 52.037 0.083 0.000 0.757 307 A CB -0.343 18.685 19.000 0.047 0.000 0.996 307 A HN 0.335 nan 8.150 nan 0.000 0.504 308 Y N 2.088 122.391 120.300 0.005 0.000 2.224 308 Y HA -0.243 4.289 4.550 -0.031 0.000 0.289 308 Y C 2.702 178.615 175.900 0.022 0.000 1.146 308 Y CA 0.943 59.047 58.100 0.007 0.000 1.182 308 Y CB -0.133 38.328 38.460 0.002 0.000 0.983 308 Y HN 0.752 nan 8.280 nan 0.000 0.524 309 S N 0.647 116.462 115.700 0.192 0.000 2.413 309 S HA -0.217 4.235 4.470 -0.031 0.000 0.237 309 S C 1.589 176.265 174.600 0.127 0.000 1.044 309 S CA 1.352 59.628 58.200 0.126 0.000 1.024 309 S CB -0.370 62.881 63.200 0.086 0.000 0.829 309 S HN 0.407 nan 8.310 nan 0.000 0.475 310 L N -0.602 120.707 121.223 0.143 0.000 2.664 310 L HA 0.311 4.632 4.340 -0.031 0.000 0.233 310 L C 2.270 179.210 176.870 0.117 0.000 1.113 310 L CA 0.132 55.062 54.840 0.149 0.000 0.896 310 L CB -0.148 41.993 42.059 0.136 0.000 1.163 310 L HN 0.162 nan 8.230 nan 0.000 0.497 311 R N 0.849 121.383 120.500 0.058 0.000 2.146 311 R HA 0.155 4.477 4.340 -0.031 0.000 0.206 311 R C 1.951 178.179 176.300 -0.121 0.000 1.049 311 R CA 0.903 56.954 56.100 -0.081 0.000 1.029 311 R CB 0.184 30.458 30.300 -0.043 0.000 0.949 311 R HN 0.188 nan 8.270 nan 0.000 0.471 312 A N 1.144 123.940 122.820 -0.040 0.000 2.251 312 A HA 0.102 4.403 4.320 -0.031 0.000 0.209 312 A C 1.568 179.173 177.584 0.036 0.000 1.187 312 A CA -0.011 52.002 52.037 -0.040 0.000 0.823 312 A CB -0.222 18.742 19.000 -0.060 0.000 0.846 312 A HN 0.205 nan 8.150 nan 0.000 0.486 313 I N 0.773 121.404 120.570 0.101 0.000 2.113 313 I HA -0.228 3.924 4.170 -0.031 0.000 0.242 313 I C -0.426 175.763 176.117 0.120 0.000 1.057 313 I CA 1.775 63.166 61.300 0.152 0.000 1.314 313 I CB -2.474 35.706 38.000 0.300 0.000 1.022 313 I HN 0.173 nan 8.210 nan 0.000 0.408 314 P HA -0.142 nan 4.420 nan 0.000 0.217 314 P C 1.744 179.083 177.300 0.065 0.000 1.150 314 P CA 1.383 64.523 63.100 0.066 0.000 0.832 314 P CB 0.017 31.711 31.700 -0.010 0.000 0.787 315 Q N -0.798 119.045 119.800 0.071 0.000 2.016 315 Q HA -0.093 4.229 4.340 -0.031 0.000 0.200 315 Q C 2.171 178.172 176.000 0.003 0.000 0.978 315 Q CA 1.405 57.233 55.803 0.041 0.000 0.833 315 Q CB -1.481 27.263 28.738 0.011 0.000 0.895 315 Q HN 0.071 nan 8.270 nan 0.000 0.427 316 V N -0.403 119.516 119.914 0.007 0.000 2.255 316 V HA -0.185 3.917 4.120 -0.031 0.000 0.243 316 V C 2.103 178.192 176.094 -0.010 0.000 1.038 316 V CA 1.489 63.789 62.300 -0.002 0.000 1.008 316 V CB -0.630 31.204 31.823 0.019 0.000 0.645 316 V HN 0.169 nan 8.190 nan 0.000 0.449 317 V N 1.100 121.017 119.914 0.005 0.000 2.594 317 V HA -0.143 3.959 4.120 -0.031 0.000 0.253 317 V C 2.558 178.631 176.094 -0.036 0.000 1.069 317 V CA 1.906 64.202 62.300 -0.008 0.000 1.082 317 V CB -1.403 30.426 31.823 0.010 0.000 0.680 317 V HN 0.625 nan 8.190 nan 0.000 0.469 318 G N -0.120 108.666 108.800 -0.024 0.000 2.402 318 G HA2 -0.177 3.765 3.960 -0.031 0.000 0.216 318 G HA3 -0.177 3.765 3.960 -0.031 0.000 0.216 318 G C 1.761 176.608 174.900 -0.088 0.000 1.162 318 G CA 0.936 46.014 45.100 -0.036 0.000 0.777 318 G HN 0.593 nan 8.290 nan 0.000 0.539 319 A N 0.092 122.856 122.820 -0.094 0.000 1.930 319 A HA 0.114 4.415 4.320 -0.031 0.000 0.217 319 A C 2.589 180.097 177.584 -0.125 0.000 1.175 319 A CA 1.693 53.650 52.037 -0.134 0.000 0.627 319 A CB -0.549 18.374 19.000 -0.130 0.000 0.815 319 A HN 0.243 nan 8.150 nan 0.000 0.443 320 V N -0.042 119.813 119.914 -0.098 0.000 2.295 320 V HA -0.283 3.818 4.120 -0.031 0.000 0.246 320 V C 2.636 178.633 176.094 -0.163 0.000 1.049 320 V CA 2.285 64.533 62.300 -0.087 0.000 1.024 320 V CB -0.792 31.002 31.823 -0.050 0.000 0.648 320 V HN 0.533 nan 8.190 nan 0.000 0.447 321 R N -0.205 120.146 120.500 -0.247 0.000 2.083 321 R HA -0.191 4.131 4.340 -0.031 0.000 0.237 321 R C 2.140 177.937 176.300 -0.838 0.000 1.137 321 R CA 1.933 57.702 56.100 -0.552 0.000 0.951 321 R CB -0.499 29.491 30.300 -0.516 0.000 0.851 321 R HN 0.523 nan 8.270 nan 0.000 0.434 322 D N -0.424 119.705 120.400 -0.452 0.000 2.104 322 D HA -0.130 4.491 4.640 -0.031 0.000 0.194 322 D C 1.840 178.099 176.300 -0.068 0.000 0.994 322 D CA 1.683 55.560 54.000 -0.205 0.000 0.830 322 D CB -0.413 40.339 40.800 -0.080 0.000 0.959 322 D HN 0.207 nan 8.370 nan 0.000 0.452 323 T N 1.247 115.760 114.554 -0.068 0.000 2.684 323 T HA -0.106 4.226 4.350 -0.031 0.000 0.267 323 T C 2.231 177.006 174.700 0.125 0.000 1.036 323 T CA 0.684 62.818 62.100 0.056 0.000 1.148 323 T CB -0.358 68.535 68.868 0.042 0.000 0.863 323 T HN 0.146 nan 8.240 nan 0.000 0.436 324 L N -0.432 120.797 121.223 0.009 0.000 2.083 324 L HA -0.106 4.216 4.340 -0.031 0.000 0.209 324 L C 2.564 179.549 176.870 0.192 0.000 1.083 324 L CA 1.309 56.186 54.840 0.061 0.000 0.752 324 L CB -0.695 41.356 42.059 -0.014 0.000 0.899 324 L HN 0.256 nan 8.230 nan 0.000 0.433 325 Y N -0.920 119.453 120.300 0.122 0.000 2.200 325 Y HA -0.254 4.278 4.550 -0.030 0.000 0.290 325 Y C 2.780 178.781 175.900 0.168 0.000 1.137 325 Y CA 1.068 59.237 58.100 0.116 0.000 1.163 325 Y CB -1.245 37.271 38.460 0.092 0.000 0.988 325 Y HN 0.276 nan 8.280 nan 0.000 0.518 326 H N -0.079 119.154 119.070 0.272 0.000 2.353 326 H HA -0.144 4.393 4.556 -0.031 0.000 0.300 326 H C 2.121 177.595 175.328 0.244 0.000 1.090 326 H CA 1.420 57.616 56.048 0.247 0.000 1.327 326 H CB 0.092 29.979 29.762 0.208 0.000 1.383 326 H HN 0.298 nan 8.280 nan 0.000 0.508 327 A N 1.419 124.335 122.820 0.160 0.000 1.898 327 A HA -0.157 4.144 4.320 -0.031 0.000 0.216 327 A C 2.572 180.189 177.584 0.054 0.000 1.181 327 A CA 1.374 53.450 52.037 0.066 0.000 0.620 327 A CB -0.659 18.418 19.000 0.128 0.000 0.819 327 A HN 0.463 nan 8.150 nan 0.000 0.442 328 R N -1.239 119.335 120.500 0.124 0.000 2.096 328 R HA -0.191 4.131 4.340 -0.031 0.000 0.235 328 R C 2.188 178.559 176.300 0.118 0.000 1.127 328 R CA 1.699 57.869 56.100 0.116 0.000 0.968 328 R CB -0.535 29.856 30.300 0.151 0.000 0.861 328 R HN 0.832 nan 8.270 nan 0.000 0.440 329 H N 0.322 119.402 119.070 0.015 0.000 2.321 329 H HA -0.089 4.448 4.556 -0.031 0.000 0.300 329 H C 1.454 176.757 175.328 -0.043 0.000 1.087 329 H CA 1.348 57.391 56.048 -0.008 0.000 1.319 329 H CB 0.305 30.070 29.762 0.005 0.000 1.379 329 H HN 0.045 nan 8.280 nan 0.000 0.501 330 K N 0.754 121.058 120.400 -0.159 0.000 2.063 330 K HA -0.137 4.165 4.320 -0.031 0.000 0.208 330 K C 2.478 178.998 176.600 -0.134 0.000 1.048 330 K CA 0.813 56.969 56.287 -0.220 0.000 0.928 330 K CB -0.472 31.908 32.500 -0.200 0.000 0.713 330 K HN 0.381 nan 8.250 nan 0.000 0.442 331 L N 0.226 121.408 121.223 -0.068 0.000 2.093 331 L HA -0.092 4.230 4.340 -0.031 0.000 0.208 331 L C 2.801 179.650 176.870 -0.036 0.000 1.085 331 L CA 0.977 55.794 54.840 -0.039 0.000 0.755 331 L CB -0.339 41.716 42.059 -0.008 0.000 0.904 331 L HN 0.160 nan 8.230 nan 0.000 0.435 332 R N 0.700 121.184 120.500 -0.026 0.000 2.073 332 R HA -0.154 4.168 4.340 -0.031 0.000 0.234 332 R C 2.339 178.613 176.300 -0.044 0.000 1.134 332 R CA 1.547 57.641 56.100 -0.010 0.000 0.952 332 R CB -0.221 30.104 30.300 0.043 0.000 0.850 332 R HN 0.278 nan 8.270 nan 0.000 0.433 333 I N 0.511 121.013 120.570 -0.114 0.000 2.226 333 I HA -0.249 3.902 4.170 -0.031 0.000 0.245 333 I C 2.374 178.446 176.117 -0.075 0.000 1.100 333 I CA 1.378 62.606 61.300 -0.121 0.000 1.374 333 I CB -0.277 37.591 38.000 -0.219 0.000 1.057 333 I HN 0.275 nan 8.210 nan 0.000 0.413 334 E N 1.451 121.607 120.200 -0.074 0.000 2.047 334 E HA -0.185 4.147 4.350 -0.031 0.000 0.191 334 E C 2.170 178.753 176.600 -0.028 0.000 0.987 334 E CA 1.322 57.694 56.400 -0.047 0.000 0.799 334 E CB -0.313 29.359 29.700 -0.046 0.000 0.752 334 E HN 0.368 nan 8.360 nan 0.000 0.449 335 L N 0.689 121.897 121.223 -0.025 0.000 2.129 335 L HA -0.178 4.144 4.340 -0.031 0.000 0.212 335 L C 1.292 178.158 176.870 -0.007 0.000 1.087 335 L CA 1.146 55.978 54.840 -0.014 0.000 0.757 335 L CB -0.339 41.714 42.059 -0.010 0.000 0.896 335 L HN 0.180 nan 8.230 nan 0.000 0.434 336 N N -0.299 118.396 118.700 -0.008 0.000 2.295 336 N HA 0.041 4.763 4.740 -0.031 0.000 0.221 336 N C 0.185 175.700 175.510 0.007 0.000 1.129 336 N CA 0.155 53.207 53.050 0.003 0.000 0.836 336 N CB 0.381 38.871 38.487 0.005 0.000 1.040 336 N HN 0.278 nan 8.380 nan 0.000 0.494 337 S N -0.746 114.954 115.700 0.000 0.000 2.681 337 S HA 0.657 5.109 4.470 -0.031 0.000 0.299 337 S C 0.243 174.854 174.600 0.017 0.000 1.113 337 S CA -0.868 57.332 58.200 0.000 0.000 1.013 337 S CB 2.353 65.542 63.200 -0.017 0.000 1.076 337 S HN 0.090 nan 8.310 nan 0.000 0.534 338 A N 2.593 125.423 122.820 0.017 0.000 3.168 338 A HA 0.259 4.560 4.320 -0.031 0.000 0.260 338 A C 0.628 178.231 177.584 0.033 0.000 1.598 338 A CA -0.949 51.108 52.037 0.033 0.000 1.285 338 A CB -1.223 17.792 19.000 0.024 0.000 1.149 338 A HN 0.778 nan 8.150 nan 0.000 0.630 339 N N 1.533 120.254 118.700 0.035 0.000 2.434 339 N HA 0.191 4.912 4.740 -0.031 0.000 0.273 339 N C -0.835 174.732 175.510 0.094 0.000 1.210 339 N CA 0.211 53.295 53.050 0.056 0.000 0.992 339 N CB 0.683 39.196 38.487 0.044 0.000 1.355 339 N HN 0.549 nan 8.380 nan 0.000 0.495 340 D N 0.774 121.251 120.400 0.128 0.000 2.725 340 D HA 0.399 5.020 4.640 -0.031 0.000 0.292 340 D C -1.942 174.490 176.300 0.221 0.000 1.288 340 D CA -0.583 53.513 54.000 0.161 0.000 0.784 340 D CB 1.269 42.120 40.800 0.084 0.000 1.308 340 D HN 0.447 nan 8.370 nan 0.000 0.429 341 N N -0.047 118.801 118.700 0.247 0.000 2.555 341 N HA 0.478 5.200 4.740 -0.031 0.000 0.265 341 N C -2.965 172.684 175.510 0.232 0.000 1.135 341 N CA -1.032 52.179 53.050 0.269 0.000 0.925 341 N CB 2.822 41.566 38.487 0.428 0.000 1.662 341 N HN 0.129 nan 8.380 nan 0.000 0.489 342 P HA 0.353 nan 4.420 nan 0.000 0.279 342 P C -0.931 176.407 177.300 0.064 0.000 1.282 342 P CA -0.420 62.665 63.100 -0.025 0.000 0.788 342 P CB 1.311 32.755 31.700 -0.427 0.000 1.139 343 L N -0.433 120.893 121.223 0.172 0.000 2.354 343 L HA 0.507 4.829 4.340 -0.031 0.000 0.269 343 L C -0.162 176.726 176.870 0.030 0.000 1.005 343 L CA -0.963 53.916 54.840 0.066 0.000 0.819 343 L CB 1.619 43.705 42.059 0.046 0.000 1.311 343 L HN 0.276 nan 8.230 nan 0.000 0.423 344 F N 2.324 122.084 119.950 -0.317 0.000 2.436 344 F HA 0.627 5.136 4.527 -0.031 0.000 0.340 344 F C -1.227 174.319 175.800 -0.424 0.000 1.113 344 F CA -0.671 57.210 58.000 -0.197 0.000 1.022 344 F CB 0.868 39.800 39.000 -0.113 0.000 1.128 344 F HN 0.086 nan 8.300 nan 0.000 0.466 345 F N 4.142 123.707 119.950 -0.641 0.000 2.536 345 F HA 0.254 4.762 4.527 -0.031 0.000 0.322 345 F C 0.059 175.392 175.800 -0.779 0.000 1.144 345 F CA -1.028 56.679 58.000 -0.488 0.000 0.924 345 F CB 1.467 40.348 39.000 -0.198 0.000 1.181 345 F HN 0.462 nan 8.300 nan 0.000 0.438 346 E N 2.010 121.932 120.200 -0.464 0.000 2.820 346 E HA 0.195 4.527 4.350 -0.031 0.000 0.251 346 E C 1.074 177.613 176.600 -0.102 0.000 0.944 346 E CA 1.170 57.412 56.400 -0.264 0.000 0.955 346 E CB 0.198 29.875 29.700 -0.039 0.000 0.904 346 E HN 0.990 nan 8.360 nan 0.000 0.513 347 G N 3.828 112.605 108.800 -0.038 0.000 2.221 347 G HA2 -0.307 3.634 3.960 -0.031 0.000 0.265 347 G HA3 -0.307 3.634 3.960 -0.031 0.000 0.265 347 G C -0.123 174.790 174.900 0.022 0.000 1.041 347 G CA 0.786 45.900 45.100 0.024 0.000 0.807 347 G HN 0.500 nan 8.290 nan 0.000 0.502 348 K N -0.907 119.504 120.400 0.018 0.000 2.469 348 K HA 0.454 4.756 4.320 -0.031 0.000 0.268 348 K C -0.314 176.361 176.600 0.126 0.000 1.027 348 K CA -1.104 55.220 56.287 0.062 0.000 0.893 348 K CB 1.415 33.949 32.500 0.058 0.000 1.460 348 K HN 0.070 nan 8.250 nan 0.000 0.449 349 E N 1.402 121.692 120.200 0.151 0.000 2.390 349 E HA 0.116 4.448 4.350 -0.031 0.000 0.261 349 E C 0.148 176.932 176.600 0.308 0.000 1.076 349 E CA -0.254 56.266 56.400 0.200 0.000 0.905 349 E CB 0.529 30.320 29.700 0.153 0.000 0.984 349 E HN 0.322 nan 8.360 nan 0.000 0.427 350 I N 2.687 123.481 120.570 0.374 0.000 2.741 350 I HA -0.129 4.023 4.170 -0.031 0.000 0.288 350 I C 0.624 177.056 176.117 0.526 0.000 1.192 350 I CA 0.258 61.839 61.300 0.468 0.000 1.426 350 I CB -1.036 37.277 38.000 0.522 0.000 1.367 350 I HN 0.372 nan 8.210 nan 0.000 0.563 351 F N 7.737 127.893 119.950 0.344 0.000 2.502 351 F HA 0.151 4.659 4.527 -0.031 0.000 0.371 351 F C 0.212 176.121 175.800 0.181 0.000 1.083 351 F CA -0.111 58.074 58.000 0.308 0.000 1.174 351 F CB 0.010 39.259 39.000 0.414 0.000 1.096 351 F HN 0.364 nan 8.300 nan 0.000 0.545 352 H N 5.103 123.857 119.070 -0.526 0.000 2.683 352 H HA 0.474 5.012 4.556 -0.030 0.000 0.270 352 H C 0.501 175.402 175.328 -0.710 0.000 1.201 352 H CA -0.140 55.661 56.048 -0.411 0.000 1.277 352 H CB 0.688 30.341 29.762 -0.182 0.000 1.400 352 H HN 0.769 nan 8.280 nan 0.000 0.504 353 G N 0.582 108.966 108.800 -0.694 0.000 3.356 353 G HA2 0.593 4.535 3.960 -0.031 0.000 0.178 353 G HA3 0.593 4.535 3.960 -0.031 0.000 0.178 353 G C -0.636 174.135 174.900 -0.215 0.000 1.130 353 G CA -0.222 44.593 45.100 -0.475 0.000 0.800 353 G HN 0.497 nan 8.290 nan 0.000 0.669 354 A N -0.427 122.224 122.820 -0.282 0.000 3.339 354 A HA 0.420 4.722 4.320 -0.031 0.000 0.219 354 A C 0.264 177.377 177.584 -0.784 0.000 0.974 354 A CA -0.333 51.139 52.037 -0.942 0.000 1.050 354 A CB -0.493 18.061 19.000 -0.744 0.000 1.271 354 A HN 0.452 nan 8.150 nan 0.000 0.565 355 N N -0.047 118.455 118.700 -0.330 0.000 2.521 355 N HA 0.029 4.751 4.740 -0.031 0.000 0.188 355 N C 1.069 176.533 175.510 -0.076 0.000 1.146 355 N CA 0.926 53.901 53.050 -0.124 0.000 0.893 355 N CB -0.173 38.335 38.487 0.036 0.000 0.975 355 N HN 0.772 nan 8.380 nan 0.000 0.451 356 F N -1.131 118.878 119.950 0.099 0.000 2.615 356 F HA 0.170 4.678 4.527 -0.032 0.000 0.297 356 F C 0.987 176.813 175.800 0.043 0.000 1.124 356 F CA -0.111 57.925 58.000 0.060 0.000 1.451 356 F CB -0.787 38.247 39.000 0.056 0.000 1.103 356 F HN 0.034 nan 8.300 nan 0.000 0.569 357 H N 2.056 121.055 119.070 -0.118 0.000 3.026 357 H HA 0.196 4.734 4.556 -0.029 0.000 0.289 357 H C 1.090 176.399 175.328 -0.031 0.000 1.022 357 H CA 0.370 56.416 56.048 -0.004 0.000 1.477 357 H CB 1.225 30.879 29.762 -0.181 0.000 1.510 357 H HN 0.398 nan 8.280 nan 0.000 0.535 358 G N 3.930 112.731 108.800 0.002 0.000 3.327 358 G HA2 -0.104 3.837 3.960 -0.031 0.000 0.240 358 G HA3 -0.104 3.837 3.960 -0.031 0.000 0.240 358 G C 1.296 176.176 174.900 -0.032 0.000 1.222 358 G CA -0.209 44.889 45.100 -0.004 0.000 0.871 358 G HN 0.525 nan 8.290 nan 0.000 0.525 359 Q N 1.568 121.395 119.800 0.046 0.000 2.077 359 Q HA -0.092 4.229 4.340 -0.031 0.000 0.206 359 Q C 0.335 176.134 176.000 -0.336 0.000 0.989 359 Q CA 2.212 57.874 55.803 -0.235 0.000 0.853 359 Q CB -0.546 28.017 28.738 -0.292 0.000 0.907 359 Q HN 0.395 nan 8.270 nan 0.000 0.418 360 P HA -0.191 nan 4.420 nan 0.000 0.216 360 P C 0.904 178.183 177.300 -0.035 0.000 1.153 360 P CA 1.314 64.392 63.100 -0.036 0.000 0.858 360 P CB -0.084 31.604 31.700 -0.020 0.000 0.789 361 I N -0.259 120.272 120.570 -0.065 0.000 2.480 361 I HA -0.047 4.105 4.170 -0.031 0.000 0.251 361 I C 2.633 178.703 176.117 -0.078 0.000 1.124 361 I CA 0.837 62.101 61.300 -0.059 0.000 1.444 361 I CB -1.999 35.974 38.000 -0.046 0.000 1.098 361 I HN -0.091 nan 8.210 nan 0.000 0.428 362 A N 1.264 124.018 122.820 -0.109 0.000 1.883 362 A HA -0.221 4.080 4.320 -0.031 0.000 0.217 362 A C 2.150 179.679 177.584 -0.092 0.000 1.186 362 A CA 1.567 53.541 52.037 -0.106 0.000 0.624 362 A CB -0.882 18.028 19.000 -0.150 0.000 0.822 362 A HN 0.251 nan 8.150 nan 0.000 0.444 363 F N 0.093 119.881 119.950 -0.270 0.000 2.075 363 F HA -0.092 4.415 4.527 -0.033 0.000 0.297 363 F C 2.912 178.026 175.800 -1.144 0.000 1.113 363 F CA 0.369 57.984 58.000 -0.642 0.000 1.218 363 F CB -1.325 37.451 39.000 -0.374 0.000 0.984 363 F HN 0.286 nan 8.300 nan 0.000 0.472 364 A N 0.030 122.647 122.820 -0.339 0.000 1.873 364 A HA -0.254 4.048 4.320 -0.031 0.000 0.218 364 A C 2.233 179.740 177.584 -0.128 0.000 1.193 364 A CA 2.236 54.167 52.037 -0.176 0.000 0.629 364 A CB -0.702 18.277 19.000 -0.034 0.000 0.826 364 A HN 0.227 nan 8.150 nan 0.000 0.447 365 M N -0.368 119.171 119.600 -0.101 0.000 2.175 365 M HA -0.085 4.377 4.480 -0.031 0.000 0.264 365 M C 1.436 177.729 176.300 -0.012 0.000 1.063 365 M CA 1.224 56.509 55.300 -0.025 0.000 1.119 365 M CB -1.645 30.949 32.600 -0.010 0.000 1.377 365 M HN 0.328 nan 8.290 nan 0.000 0.415 366 D N 0.139 120.488 120.400 -0.085 0.000 2.144 366 D HA -0.120 4.501 4.640 -0.031 0.000 0.199 366 D C 1.875 178.276 176.300 0.168 0.000 0.984 366 D CA 1.106 55.116 54.000 0.016 0.000 0.834 366 D CB -0.175 40.632 40.800 0.011 0.000 0.955 366 D HN 0.222 nan 8.370 nan 0.000 0.465 367 F N 0.426 120.434 119.950 0.096 0.000 2.186 367 F HA -0.080 4.429 4.527 -0.030 0.000 0.299 367 F C 2.516 178.351 175.800 0.058 0.000 1.090 367 F CA 0.120 58.161 58.000 0.068 0.000 1.307 367 F CB -1.257 37.797 39.000 0.091 0.000 1.019 367 F HN -0.131 nan 8.300 nan 0.000 0.489 368 V N -0.391 119.664 119.914 0.235 0.000 2.407 368 V HA -0.275 3.827 4.120 -0.031 0.000 0.248 368 V C 2.309 178.471 176.094 0.112 0.000 1.055 368 V CA 2.265 64.652 62.300 0.146 0.000 1.049 368 V CB -1.163 30.723 31.823 0.106 0.000 0.662 368 V HN 0.353 nan 8.190 nan 0.000 0.455 369 T N 0.324 114.943 114.554 0.109 0.000 2.684 369 T HA -0.174 4.158 4.350 -0.031 0.000 0.267 369 T C 1.812 176.564 174.700 0.087 0.000 1.036 369 T CA 1.964 64.117 62.100 0.088 0.000 1.148 369 T CB -0.284 68.634 68.868 0.083 0.000 0.863 369 T HN 0.344 nan 8.240 nan 0.000 0.436 370 I N 1.096 121.732 120.570 0.110 0.000 2.179 370 I HA -0.179 3.973 4.170 -0.031 0.000 0.242 370 I C 2.897 179.051 176.117 0.061 0.000 1.088 370 I CA 1.144 62.496 61.300 0.086 0.000 1.357 370 I CB -0.493 37.567 38.000 0.100 0.000 1.051 370 I HN 0.192 nan 8.210 nan 0.000 0.409 371 A N 0.905 123.766 122.820 0.068 0.000 1.865 371 A HA -0.195 4.107 4.320 -0.031 0.000 0.217 371 A C 2.297 179.901 177.584 0.034 0.000 1.191 371 A CA 1.581 53.641 52.037 0.038 0.000 0.623 371 A CB -1.000 18.024 19.000 0.041 0.000 0.826 371 A HN 0.399 nan 8.150 nan 0.000 0.444 372 L N -0.726 120.525 121.223 0.047 0.000 2.201 372 L HA -0.146 4.176 4.340 -0.031 0.000 0.212 372 L C 2.722 179.617 176.870 0.042 0.000 1.105 372 L CA 1.574 56.440 54.840 0.043 0.000 0.775 372 L CB -0.845 41.243 42.059 0.049 0.000 0.913 372 L HN 0.382 nan 8.230 nan 0.000 0.440 373 T N -1.109 113.471 114.554 0.044 0.000 2.708 373 T HA -0.275 4.057 4.350 -0.031 0.000 0.266 373 T C 1.830 176.551 174.700 0.036 0.000 1.037 373 T CA 1.528 63.652 62.100 0.041 0.000 1.146 373 T CB -0.119 68.775 68.868 0.042 0.000 0.865 373 T HN 0.206 nan 8.240 nan 0.000 0.435 374 Q N 0.534 120.352 119.800 0.030 0.000 2.167 374 Q HA 0.008 4.329 4.340 -0.031 0.000 0.202 374 Q C 2.061 178.077 176.000 0.027 0.000 0.970 374 Q CA 0.959 56.777 55.803 0.025 0.000 0.855 374 Q CB -0.635 28.112 28.738 0.015 0.000 0.911 374 Q HN 0.410 nan 8.270 nan 0.000 0.438 375 L N -0.381 120.858 121.223 0.027 0.000 2.042 375 L HA -0.031 4.290 4.340 -0.031 0.000 0.210 375 L C 2.007 178.899 176.870 0.037 0.000 1.076 375 L CA 2.417 57.274 54.840 0.029 0.000 0.749 375 L CB -1.042 41.035 42.059 0.030 0.000 0.893 375 L HN 0.327 nan 8.230 nan 0.000 0.432 376 G N -1.638 107.186 108.800 0.040 0.000 2.422 376 G HA2 -0.149 3.793 3.960 -0.031 0.000 0.218 376 G HA3 -0.149 3.793 3.960 -0.031 0.000 0.218 376 G C 1.547 176.472 174.900 0.042 0.000 1.140 376 G CA 0.825 45.951 45.100 0.043 0.000 0.775 376 G HN 0.314 nan 8.290 nan 0.000 0.545 377 V N 0.736 120.674 119.914 0.039 0.000 2.287 377 V HA -0.163 3.939 4.120 -0.031 0.000 0.248 377 V C 2.686 178.804 176.094 0.040 0.000 1.053 377 V CA 1.774 64.097 62.300 0.038 0.000 1.027 377 V CB -0.427 31.417 31.823 0.035 0.000 0.646 377 V HN 0.380 nan 8.190 nan 0.000 0.447 378 L N 0.773 122.020 121.223 0.040 0.000 2.017 378 L HA -0.067 4.255 4.340 -0.031 0.000 0.208 378 L C 2.464 179.359 176.870 0.040 0.000 1.073 378 L CA 2.423 57.290 54.840 0.044 0.000 0.745 378 L CB -1.018 41.068 42.059 0.044 0.000 0.894 378 L HN 0.214 nan 8.230 nan 0.000 0.432 379 A N -0.796 122.047 122.820 0.038 0.000 1.883 379 A HA -0.261 4.041 4.320 -0.031 0.000 0.217 379 A C 2.328 179.933 177.584 0.035 0.000 1.186 379 A CA 1.863 53.921 52.037 0.034 0.000 0.624 379 A CB -0.861 18.165 19.000 0.042 0.000 0.822 379 A HN 0.588 nan 8.150 nan 0.000 0.444 380 E N -0.174 120.052 120.200 0.042 0.000 2.118 380 E HA -0.215 4.117 4.350 -0.031 0.000 0.195 380 E C 2.084 178.708 176.600 0.040 0.000 0.992 380 E CA 0.969 57.397 56.400 0.046 0.000 0.804 380 E CB -0.203 29.527 29.700 0.051 0.000 0.741 380 E HN 0.375 nan 8.360 nan 0.000 0.458 381 R N 0.246 120.767 120.500 0.035 0.000 2.115 381 R HA -0.033 4.288 4.340 -0.031 0.000 0.226 381 R C 2.352 178.665 176.300 0.021 0.000 1.100 381 R CA 0.835 56.951 56.100 0.027 0.000 0.980 381 R CB -0.382 29.935 30.300 0.028 0.000 0.875 381 R HN 0.398 nan 8.270 nan 0.000 0.445 382 Q N -0.067 119.749 119.800 0.026 0.000 2.172 382 Q HA -0.001 4.321 4.340 -0.031 0.000 0.200 382 Q C 2.157 178.161 176.000 0.007 0.000 0.964 382 Q CA 0.926 56.742 55.803 0.023 0.000 0.855 382 Q CB -0.019 28.729 28.738 0.017 0.000 0.918 382 Q HN 0.297 nan 8.270 nan 0.000 0.444 383 I N 0.985 121.560 120.570 0.009 0.000 2.142 383 I HA -0.286 3.865 4.170 -0.031 0.000 0.240 383 I C 2.182 178.298 176.117 -0.002 0.000 1.078 383 I CA 1.146 62.448 61.300 0.004 0.000 1.343 383 I CB -0.306 37.714 38.000 0.033 0.000 1.046 383 I HN 0.244 nan 8.210 nan 0.000 0.405 384 N N 0.998 119.704 118.700 0.010 0.000 2.137 384 N HA -0.261 4.461 4.740 -0.031 0.000 0.190 384 N C 1.902 177.381 175.510 -0.052 0.000 1.017 384 N CA 1.462 54.510 53.050 -0.003 0.000 0.859 384 N CB -0.082 38.412 38.487 0.011 0.000 1.002 384 N HN 0.030 nan 8.380 nan 0.000 0.428 385 R N 0.020 120.496 120.500 -0.039 0.000 2.083 385 R HA -0.092 4.229 4.340 -0.031 0.000 0.237 385 R C 2.043 178.300 176.300 -0.072 0.000 1.137 385 R CA 1.843 57.910 56.100 -0.055 0.000 0.951 385 R CB -0.724 29.588 30.300 0.019 0.000 0.851 385 R HN 0.340 nan 8.270 nan 0.000 0.434 386 V N -1.829 118.058 119.914 -0.044 0.000 2.871 386 V HA 0.025 4.127 4.120 -0.031 0.000 0.256 386 V C 1.835 177.843 176.094 -0.144 0.000 1.082 386 V CA 1.256 63.519 62.300 -0.062 0.000 1.105 386 V CB -0.462 31.322 31.823 -0.064 0.000 0.713 386 V HN 0.202 nan 8.190 nan 0.000 0.473 387 L N 0.292 121.413 121.223 -0.170 0.000 2.446 387 L HA 0.245 4.566 4.340 -0.031 0.000 0.219 387 L C 1.016 177.512 176.870 -0.624 0.000 1.116 387 L CA 0.343 55.014 54.840 -0.282 0.000 0.844 387 L CB -0.318 41.696 42.059 -0.076 0.000 0.970 387 L HN 0.357 nan 8.230 nan 0.000 0.457 388 N N 1.202 119.644 118.700 -0.430 0.000 2.439 388 N HA 0.056 4.778 4.740 -0.031 0.000 0.249 388 N C 1.202 176.484 175.510 -0.381 0.000 1.003 388 N CA -0.186 52.586 53.050 -0.465 0.000 0.942 388 N CB 1.167 39.495 38.487 -0.265 0.000 1.115 388 N HN 0.206 nan 8.380 nan 0.000 0.505 389 R N 3.302 123.538 120.500 -0.440 0.000 2.117 389 R HA -0.149 4.172 4.340 -0.031 0.000 0.243 389 R C 0.872 177.092 176.300 -0.134 0.000 1.143 389 R CA 1.496 57.437 56.100 -0.265 0.000 0.968 389 R CB -0.675 29.485 30.300 -0.234 0.000 0.863 389 R HN 0.659 nan 8.270 nan 0.000 0.444 390 H N 0.283 119.261 119.070 -0.153 0.000 2.489 390 H HA -0.001 4.536 4.556 -0.030 0.000 0.295 390 H C 1.457 176.663 175.328 -0.204 0.000 1.082 390 H CA 1.231 57.201 56.048 -0.130 0.000 1.295 390 H CB 0.112 29.815 29.762 -0.098 0.000 1.380 390 H HN 0.238 nan 8.280 nan 0.000 0.548 391 L N -1.302 119.818 121.223 -0.171 0.000 2.878 391 L HA 0.141 4.462 4.340 -0.031 0.000 0.253 391 L C 1.759 178.302 176.870 -0.546 0.000 1.135 391 L CA -0.038 54.574 54.840 -0.380 0.000 0.943 391 L CB 0.437 42.310 42.059 -0.311 0.000 1.307 391 L HN -0.045 nan 8.230 nan 0.000 0.545 392 S N -0.089 115.428 115.700 -0.304 0.000 2.520 392 S HA -0.181 4.271 4.470 -0.031 0.000 0.249 392 S C 0.417 175.022 174.600 0.008 0.000 0.983 392 S CA 0.990 59.098 58.200 -0.153 0.000 0.958 392 S CB -0.428 62.705 63.200 -0.111 0.000 0.750 392 S HN 0.525 nan 8.310 nan 0.000 0.527 393 Y N -1.484 118.786 120.300 -0.050 0.000 4.841 393 Y HA -0.277 4.254 4.550 -0.031 0.000 0.242 393 Y C 1.351 177.249 175.900 -0.003 0.000 1.002 393 Y CA 0.621 58.709 58.100 -0.020 0.000 2.011 393 Y CB -1.864 36.579 38.460 -0.027 0.000 1.554 393 Y HN 0.366 nan 8.280 nan 0.000 0.618 394 G N -1.342 107.507 108.800 0.082 0.000 2.296 394 G HA2 -0.197 3.745 3.960 -0.031 0.000 0.188 394 G HA3 -0.197 3.745 3.960 -0.031 0.000 0.188 394 G C 0.147 175.067 174.900 0.033 0.000 1.000 394 G CA -0.274 44.862 45.100 0.059 0.000 0.672 394 G HN 0.330 nan 8.290 nan 0.000 0.483 395 L N 2.760 123.999 121.223 0.026 0.000 2.473 395 L HA 0.358 4.680 4.340 -0.031 0.000 0.268 395 L C -0.989 175.866 176.870 -0.026 0.000 1.215 395 L CA -1.533 53.307 54.840 -0.001 0.000 0.823 395 L CB 0.169 42.221 42.059 -0.013 0.000 1.099 395 L HN 0.063 nan 8.230 nan 0.000 0.483 396 P HA 0.044 nan 4.420 nan 0.000 0.274 396 P C -1.103 176.168 177.300 -0.048 0.000 1.237 396 P CA -0.577 62.516 63.100 -0.012 0.000 0.793 396 P CB 0.368 32.079 31.700 0.017 0.000 0.977 397 E N 2.004 122.178 120.200 -0.043 0.000 2.480 397 E HA -0.086 4.245 4.350 -0.031 0.000 0.258 397 E C -0.285 176.334 176.600 0.031 0.000 0.984 397 E CA -0.190 56.133 56.400 -0.130 0.000 0.930 397 E CB -0.462 29.244 29.700 0.010 0.000 0.936 397 E HN 0.436 nan 8.360 nan 0.000 0.466 398 F N 1.408 121.347 119.950 -0.018 0.000 3.084 398 F HA -0.275 4.233 4.527 -0.031 0.000 0.286 398 F C 0.917 176.736 175.800 0.031 0.000 0.855 398 F CA 0.749 58.755 58.000 0.009 0.000 1.091 398 F CB -1.923 37.095 39.000 0.031 0.000 1.177 398 F HN 0.592 nan 8.300 nan 0.000 0.542 399 L N -2.580 118.676 121.223 0.055 0.000 3.843 399 L HA -0.282 4.040 4.340 -0.031 0.000 0.411 399 L C 0.222 177.159 176.870 0.113 0.000 1.205 399 L CA 0.102 54.951 54.840 0.016 0.000 0.945 399 L CB -2.066 39.895 42.059 -0.164 0.000 1.929 399 L HN 0.105 nan 8.230 nan 0.000 0.934 400 V N 0.489 120.489 119.914 0.143 0.000 2.555 400 V HA 0.083 4.185 4.120 -0.031 0.000 0.286 400 V C 1.541 177.674 176.094 0.066 0.000 1.044 400 V CA 0.919 63.296 62.300 0.129 0.000 1.026 400 V CB 1.649 33.560 31.823 0.147 0.000 0.981 400 V HN 0.541 nan 8.190 nan 0.000 0.480 401 S N 2.408 118.127 115.700 0.031 0.000 2.517 401 S HA 0.220 4.672 4.470 -0.031 0.000 0.214 401 S C 0.951 175.540 174.600 -0.017 0.000 0.991 401 S CA 0.215 58.420 58.200 0.009 0.000 0.906 401 S CB 0.480 63.685 63.200 0.009 0.000 0.789 401 S HN 0.845 nan 8.310 nan 0.000 0.513 402 G N 0.998 109.767 108.800 -0.052 0.000 3.392 402 G HA2 0.373 4.315 3.960 -0.031 0.000 0.188 402 G HA3 0.373 4.315 3.960 -0.031 0.000 0.188 402 G C -1.158 173.757 174.900 0.025 0.000 1.485 402 G CA -0.450 44.616 45.100 -0.056 0.000 0.943 402 G HN 0.265 nan 8.290 nan 0.000 0.627 403 D N 2.529 122.982 120.400 0.088 0.000 2.396 403 D HA 0.302 4.924 4.640 -0.031 0.000 0.225 403 D C -2.021 174.375 176.300 0.160 0.000 1.121 403 D CA -0.854 53.222 54.000 0.126 0.000 0.853 403 D CB 1.610 42.491 40.800 0.135 0.000 1.043 403 D HN 0.035 nan 8.370 nan 0.000 0.500 404 P HA 0.027 nan 4.420 nan 0.000 0.269 404 P C 0.967 178.324 177.300 0.096 0.000 1.217 404 P CA 0.316 63.492 63.100 0.127 0.000 0.783 404 P CB 1.168 32.941 31.700 0.123 0.000 0.898 405 G N 1.099 109.942 108.800 0.072 0.000 3.757 405 G HA2 -0.357 3.584 3.960 -0.031 0.000 0.215 405 G HA3 -0.357 3.584 3.960 -0.031 0.000 0.215 405 G C 0.793 175.695 174.900 0.004 0.000 1.411 405 G CA 0.378 45.497 45.100 0.031 0.000 0.896 405 G HN 0.576 nan 8.290 nan 0.000 0.581 406 L N 1.903 123.134 121.223 0.013 0.000 2.093 406 L HA 0.344 4.665 4.340 -0.031 0.000 0.208 406 L C 1.063 177.814 176.870 -0.199 0.000 1.085 406 L CA 2.069 56.865 54.840 -0.073 0.000 0.755 406 L CB -0.457 41.584 42.059 -0.031 0.000 0.904 406 L HN 0.596 nan 8.230 nan 0.000 0.435 407 H N -2.301 116.777 119.070 0.013 0.000 2.524 407 H HA 0.411 4.948 4.556 -0.031 0.000 0.353 407 H C 0.777 176.108 175.328 0.005 0.000 1.136 407 H CA -0.017 56.038 56.048 0.012 0.000 1.193 407 H CB 1.751 31.531 29.762 0.030 0.000 1.558 407 H HN -0.170 nan 8.280 nan 0.000 0.515 408 S N 1.369 117.123 115.700 0.089 0.000 2.502 408 S HA 0.200 4.651 4.470 -0.031 0.000 0.215 408 S C 1.431 176.065 174.600 0.057 0.000 1.009 408 S CA 0.388 58.584 58.200 -0.006 0.000 0.908 408 S CB 0.258 63.398 63.200 -0.101 0.000 0.801 408 S HN 1.086 nan 8.310 nan 0.000 0.505 409 G N 1.935 110.811 108.800 0.127 0.000 2.565 409 G HA2 -0.334 3.608 3.960 -0.031 0.000 0.295 409 G HA3 -0.334 3.608 3.960 -0.031 0.000 0.295 409 G C 0.386 175.383 174.900 0.162 0.000 1.165 409 G CA 0.567 45.791 45.100 0.206 0.000 0.977 409 G HN 0.464 nan 8.290 nan 0.000 0.546 410 F N 3.101 123.078 119.950 0.045 0.000 2.732 410 F HA 0.457 4.966 4.527 -0.031 0.000 0.303 410 F C 2.642 178.402 175.800 -0.067 0.000 1.110 410 F CA 0.839 58.839 58.000 0.000 0.000 1.355 410 F CB 0.233 39.252 39.000 0.033 0.000 1.081 410 F HN 0.575 nan 8.300 nan 0.000 0.565 411 A N 0.516 123.342 122.820 0.011 0.000 1.917 411 A HA -0.197 4.104 4.320 -0.031 0.000 0.219 411 A C 2.527 179.768 177.584 -0.572 0.000 1.182 411 A CA 2.138 53.977 52.037 -0.330 0.000 0.633 411 A CB -1.346 17.242 19.000 -0.687 0.000 0.819 411 A HN 0.428 nan 8.150 nan 0.000 0.448 412 G N -1.179 107.369 108.800 -0.420 0.000 2.430 412 G HA2 0.147 4.088 3.960 -0.031 0.000 0.216 412 G HA3 0.147 4.088 3.960 -0.031 0.000 0.216 412 G C 1.595 176.242 174.900 -0.421 0.000 1.146 412 G CA 1.059 45.886 45.100 -0.456 0.000 0.793 412 G HN 0.830 nan 8.290 nan 0.000 0.537 413 A N 0.200 122.845 122.820 -0.291 0.000 2.121 413 A HA 0.020 4.322 4.320 -0.031 0.000 0.218 413 A C 2.152 179.669 177.584 -0.111 0.000 1.154 413 A CA 1.717 53.644 52.037 -0.182 0.000 0.679 413 A CB -0.298 18.583 19.000 -0.199 0.000 0.795 413 A HN 0.486 nan 8.150 nan 0.000 0.458 414 Q N -1.346 118.328 119.800 -0.210 0.000 2.172 414 Q HA -0.196 4.126 4.340 -0.031 0.000 0.200 414 Q C 1.494 177.481 176.000 -0.022 0.000 0.964 414 Q CA 1.506 57.250 55.803 -0.098 0.000 0.855 414 Q CB -0.268 28.421 28.738 -0.081 0.000 0.918 414 Q HN 0.696 nan 8.270 nan 0.000 0.444 415 Y N 1.086 121.407 120.300 0.034 0.000 2.128 415 Y HA -0.154 4.376 4.550 -0.033 0.000 0.284 415 Y C -0.519 175.389 175.900 0.012 0.000 1.154 415 Y CA 1.024 59.133 58.100 0.016 0.000 1.149 415 Y CB -2.082 36.374 38.460 -0.007 0.000 0.976 415 Y HN 0.335 nan 8.280 nan 0.000 0.505 416 P HA -0.164 nan 4.420 nan 0.000 0.218 416 P C 1.341 178.687 177.300 0.075 0.000 1.148 416 P CA 2.190 65.340 63.100 0.082 0.000 0.822 416 P CB -0.084 31.638 31.700 0.038 0.000 0.784 417 A N 0.058 122.924 122.820 0.077 0.000 1.873 417 A HA -0.110 4.192 4.320 -0.031 0.000 0.215 417 A C 2.347 179.978 177.584 0.080 0.000 1.186 417 A CA 2.302 54.383 52.037 0.073 0.000 0.616 417 A CB -1.834 17.209 19.000 0.072 0.000 0.823 417 A HN 0.189 nan 8.150 nan 0.000 0.442 418 T N 0.460 115.078 114.554 0.105 0.000 2.788 418 T HA -0.006 4.325 4.350 -0.031 0.000 0.268 418 T C 2.148 176.895 174.700 0.079 0.000 1.044 418 T CA 1.472 63.633 62.100 0.102 0.000 1.139 418 T CB -0.394 68.562 68.868 0.147 0.000 0.867 418 T HN 0.571 nan 8.240 nan 0.000 0.454 419 A N 1.003 123.872 122.820 0.081 0.000 1.969 419 A HA 0.115 4.417 4.320 -0.031 0.000 0.218 419 A C 2.257 179.868 177.584 0.044 0.000 1.169 419 A CA 0.935 53.004 52.037 0.054 0.000 0.635 419 A CB -0.703 18.328 19.000 0.052 0.000 0.810 419 A HN 0.468 nan 8.150 nan 0.000 0.445 420 L N -0.742 120.510 121.223 0.049 0.000 2.156 420 L HA -0.109 4.213 4.340 -0.031 0.000 0.208 420 L C 2.458 179.353 176.870 0.041 0.000 1.095 420 L CA 0.577 55.442 54.840 0.042 0.000 0.770 420 L CB -0.354 41.731 42.059 0.043 0.000 0.914 420 L HN 0.234 nan 8.230 nan 0.000 0.439 421 V N 0.145 120.086 119.914 0.044 0.000 2.295 421 V HA -0.313 3.788 4.120 -0.031 0.000 0.246 421 V C 2.747 178.862 176.094 0.036 0.000 1.049 421 V CA 1.941 64.266 62.300 0.041 0.000 1.024 421 V CB -0.820 31.029 31.823 0.043 0.000 0.648 421 V HN 0.492 nan 8.190 nan 0.000 0.447 422 A N -0.464 122.377 122.820 0.034 0.000 1.933 422 A HA -0.282 4.020 4.320 -0.031 0.000 0.218 422 A C 2.256 179.856 177.584 0.026 0.000 1.175 422 A CA 2.070 54.123 52.037 0.028 0.000 0.628 422 A CB -0.509 18.506 19.000 0.024 0.000 0.814 422 A HN 0.658 nan 8.150 nan 0.000 0.444 423 E N -0.041 120.176 120.200 0.027 0.000 2.072 423 E HA -0.205 4.126 4.350 -0.031 0.000 0.191 423 E C 1.651 178.267 176.600 0.027 0.000 0.985 423 E CA 1.298 57.712 56.400 0.025 0.000 0.801 423 E CB -0.133 29.582 29.700 0.024 0.000 0.750 423 E HN 0.538 nan 8.360 nan 0.000 0.452 424 N N 0.531 119.250 118.700 0.031 0.000 2.289 424 N HA -0.113 4.608 4.740 -0.031 0.000 0.184 424 N C 1.510 177.040 175.510 0.034 0.000 1.016 424 N CA 0.814 53.885 53.050 0.034 0.000 0.872 424 N CB -0.157 38.353 38.487 0.038 0.000 0.973 424 N HN 0.175 nan 8.380 nan 0.000 0.433 425 R N -0.079 120.440 120.500 0.032 0.000 2.280 425 R HA 0.005 4.326 4.340 -0.031 0.000 0.207 425 R C 1.534 177.851 176.300 0.029 0.000 1.043 425 R CA 1.178 57.297 56.100 0.031 0.000 1.006 425 R CB -0.097 30.220 30.300 0.028 0.000 0.885 425 R HN 0.343 nan 8.270 nan 0.000 0.467 426 T N -2.063 112.507 114.554 0.027 0.000 3.129 426 T HA 0.190 4.521 4.350 -0.031 0.000 0.251 426 T C 0.749 175.466 174.700 0.028 0.000 1.117 426 T CA 0.014 62.129 62.100 0.025 0.000 1.034 426 T CB -0.021 68.860 68.868 0.020 0.000 0.968 426 T HN -0.018 nan 8.240 nan 0.000 0.526 427 I N 2.629 123.218 120.570 0.032 0.000 2.322 427 I HA 0.456 4.607 4.170 -0.031 0.000 0.292 427 I C 1.078 177.221 176.117 0.043 0.000 1.060 427 I CA -0.786 60.536 61.300 0.036 0.000 1.309 427 I CB 0.673 38.696 38.000 0.038 0.000 1.415 427 I HN 0.222 nan 8.210 nan 0.000 0.492 428 G N 7.486 116.312 108.800 0.043 0.000 2.477 428 G HA2 0.539 4.481 3.960 -0.031 0.000 0.304 428 G HA3 0.539 4.481 3.960 -0.031 0.000 0.304 428 G C -2.505 172.432 174.900 0.061 0.000 1.175 428 G CA -1.131 43.999 45.100 0.051 0.000 0.907 428 G HN 0.372 nan 8.290 nan 0.000 0.509 429 P HA 0.235 nan 4.420 nan 0.000 0.271 429 P C 0.201 177.550 177.300 0.082 0.000 1.216 429 P CA 0.004 63.158 63.100 0.091 0.000 0.776 429 P CB 1.805 33.577 31.700 0.120 0.000 0.881 430 A N 2.341 125.206 122.820 0.076 0.000 2.167 430 A HA 0.004 4.305 4.320 -0.031 0.000 0.208 430 A C 1.945 179.573 177.584 0.073 0.000 1.198 430 A CA 0.752 52.828 52.037 0.064 0.000 0.863 430 A CB -0.860 18.167 19.000 0.046 0.000 0.904 430 A HN 0.571 nan 8.150 nan 0.000 0.484 431 S N 0.357 116.115 115.700 0.097 0.000 2.537 431 S HA -0.127 4.325 4.470 -0.031 0.000 0.240 431 S C 1.422 176.112 174.600 0.150 0.000 0.981 431 S CA 1.757 60.019 58.200 0.104 0.000 0.948 431 S CB -0.937 62.380 63.200 0.194 0.000 0.759 431 S HN 0.743 nan 8.310 nan 0.000 0.531 432 T N -2.875 111.775 114.554 0.159 0.000 3.044 432 T HA 0.275 4.606 4.350 -0.031 0.000 0.260 432 T C 0.937 175.698 174.700 0.102 0.000 1.019 432 T CA -0.427 61.767 62.100 0.157 0.000 0.921 432 T CB 0.072 69.037 68.868 0.161 0.000 1.053 432 T HN 0.167 nan 8.240 nan 0.000 0.533 433 Q N 1.989 121.837 119.800 0.080 0.000 2.225 433 Q HA 0.317 4.639 4.340 -0.031 0.000 0.222 433 Q C 0.523 176.553 176.000 0.050 0.000 0.887 433 Q CA -0.064 55.775 55.803 0.060 0.000 0.958 433 Q CB 0.203 28.971 28.738 0.050 0.000 1.058 433 Q HN 0.536 nan 8.270 nan 0.000 0.459 434 S N 0.175 115.909 115.700 0.057 0.000 2.558 434 S HA 0.139 4.591 4.470 -0.031 0.000 0.287 434 S C -0.041 174.587 174.600 0.046 0.000 1.321 434 S CA -0.126 58.105 58.200 0.051 0.000 1.048 434 S CB 0.423 63.665 63.200 0.069 0.000 0.844 434 S HN 0.123 nan 8.310 nan 0.000 0.512 435 V N 7.436 127.374 119.914 0.039 0.000 2.569 435 V HA 0.429 4.531 4.120 -0.031 0.000 0.301 435 V C -2.127 173.988 176.094 0.036 0.000 1.044 435 V CA -1.526 60.795 62.300 0.035 0.000 0.874 435 V CB 1.907 33.747 31.823 0.027 0.000 1.002 435 V HN 0.878 nan 8.190 nan 0.000 0.424 436 P HA 0.241 nan 4.420 nan 0.000 0.267 436 P C -0.375 176.947 177.300 0.036 0.000 1.205 436 P CA 0.389 63.514 63.100 0.042 0.000 0.765 436 P CB 1.248 32.974 31.700 0.042 0.000 0.828 437 S N 1.522 117.244 115.700 0.037 0.000 2.806 437 S HA 0.445 4.897 4.470 -0.031 0.000 0.306 437 S C -0.043 174.582 174.600 0.040 0.000 1.167 437 S CA -0.749 57.470 58.200 0.032 0.000 0.847 437 S CB 0.590 63.803 63.200 0.022 0.000 1.216 437 S HN 0.419 nan 8.310 nan 0.000 0.532 438 N N 0.235 118.958 118.700 0.039 0.000 2.708 438 N HA -0.101 4.621 4.740 -0.031 0.000 0.255 438 N C 0.660 176.210 175.510 0.067 0.000 1.046 438 N CA 1.732 54.814 53.050 0.054 0.000 0.715 438 N CB -1.548 36.975 38.487 0.060 0.000 0.895 438 N HN 2.118 nan 8.380 nan 0.000 0.545 439 G N 1.172 110.009 108.800 0.062 0.000 2.341 439 G HA2 -0.300 3.642 3.960 -0.031 0.000 0.292 439 G HA3 -0.300 3.642 3.960 -0.031 0.000 0.292 439 G C 0.457 175.396 174.900 0.066 0.000 1.021 439 G CA 0.638 45.780 45.100 0.069 0.000 0.905 439 G HN 0.810 nan 8.290 nan 0.000 0.508 440 D N -2.082 118.352 120.400 0.056 0.000 2.978 440 D HA -0.237 4.384 4.640 -0.031 0.000 0.205 440 D C 1.376 177.712 176.300 0.061 0.000 1.093 440 D CA 1.610 55.642 54.000 0.054 0.000 1.006 440 D CB -1.229 39.599 40.800 0.047 0.000 1.116 440 D HN 0.698 nan 8.370 nan 0.000 0.419 441 N N 0.746 119.487 118.700 0.068 0.000 2.142 441 N HA -0.154 4.568 4.740 -0.031 0.000 0.186 441 N C 0.593 176.146 175.510 0.071 0.000 1.023 441 N CA 1.383 54.475 53.050 0.070 0.000 0.852 441 N CB 0.106 38.639 38.487 0.076 0.000 0.998 441 N HN 0.301 nan 8.380 nan 0.000 0.424 442 Q N 0.493 120.333 119.800 0.067 0.000 2.963 442 Q HA 0.063 4.384 4.340 -0.031 0.000 0.262 442 Q C -0.524 175.523 176.000 0.078 0.000 1.318 442 Q CA -0.251 55.598 55.803 0.077 0.000 1.089 442 Q CB 0.578 29.345 28.738 0.048 0.000 1.424 442 Q HN 0.541 nan 8.270 nan 0.000 0.560 443 D N -0.810 119.640 120.400 0.084 0.000 2.347 443 D HA -0.034 4.587 4.640 -0.031 0.000 0.215 443 D C 0.271 176.622 176.300 0.086 0.000 0.976 443 D CA 0.321 54.365 54.000 0.074 0.000 0.884 443 D CB 0.420 41.257 40.800 0.062 0.000 0.915 443 D HN 0.061 nan 8.370 nan 0.000 0.526 444 V N 1.232 121.220 119.914 0.123 0.000 2.577 444 V HA 0.338 4.440 4.120 -0.031 0.000 0.294 444 V C -0.186 176.063 176.094 0.259 0.000 1.052 444 V CA -0.998 61.396 62.300 0.155 0.000 0.891 444 V CB 1.984 33.889 31.823 0.136 0.000 1.017 444 V HN 0.139 nan 8.190 nan 0.000 0.436 445 V N 2.082 122.081 119.914 0.142 0.000 3.204 445 V HA 0.786 4.887 4.120 -0.031 0.000 0.316 445 V C 0.998 177.090 176.094 -0.002 0.000 1.160 445 V CA 0.235 62.529 62.300 -0.011 0.000 1.044 445 V CB 1.891 33.684 31.823 -0.050 0.000 1.136 445 V HN 0.791 nan 8.190 nan 0.000 0.455 446 S N -0.762 114.853 115.700 -0.142 0.000 2.497 446 S HA 0.101 4.553 4.470 -0.031 0.000 0.218 446 S C 1.176 175.746 174.600 -0.051 0.000 1.023 446 S CA 0.735 58.893 58.200 -0.071 0.000 0.913 446 S CB -0.407 62.725 63.200 -0.115 0.000 0.800 446 S HN 1.147 nan 8.310 nan 0.000 0.505 447 M N 1.159 120.731 119.600 -0.046 0.000 2.762 447 M HA -0.150 4.312 4.480 -0.031 0.000 0.190 447 M C 0.961 177.255 176.300 -0.010 0.000 0.586 447 M CA 0.486 55.778 55.300 -0.014 0.000 0.620 447 M CB -1.918 30.688 32.600 0.009 0.000 2.269 447 M HN 0.499 nan 8.290 nan 0.000 0.563 448 G N -0.430 108.350 108.800 -0.032 0.000 2.475 448 G HA2 -0.176 3.766 3.960 -0.031 0.000 0.220 448 G HA3 -0.176 3.766 3.960 -0.031 0.000 0.220 448 G C 1.183 176.084 174.900 0.002 0.000 1.125 448 G CA 1.068 46.152 45.100 -0.027 0.000 0.755 448 G HN 0.530 nan 8.290 nan 0.000 0.565 449 L N 0.651 121.886 121.223 0.020 0.000 2.217 449 L HA 0.217 4.539 4.340 -0.031 0.000 0.211 449 L C 2.530 179.442 176.870 0.070 0.000 1.107 449 L CA 0.943 55.816 54.840 0.056 0.000 0.783 449 L CB -0.280 41.833 42.059 0.090 0.000 0.919 449 L HN 0.280 nan 8.230 nan 0.000 0.442 450 I N -1.485 119.113 120.570 0.047 0.000 2.315 450 I HA -0.243 3.909 4.170 -0.031 0.000 0.248 450 I C 2.305 178.448 176.117 0.044 0.000 1.117 450 I CA 1.031 62.358 61.300 0.044 0.000 1.404 450 I CB -0.421 37.598 38.000 0.031 0.000 1.071 450 I HN 0.161 nan 8.210 nan 0.000 0.419 451 S N 0.996 116.716 115.700 0.034 0.000 2.356 451 S HA -0.181 4.270 4.470 -0.031 0.000 0.223 451 S C 2.315 176.936 174.600 0.036 0.000 1.032 451 S CA 1.429 59.646 58.200 0.030 0.000 1.005 451 S CB -0.395 62.810 63.200 0.008 0.000 0.867 451 S HN 0.544 nan 8.310 nan 0.000 0.449 452 A N 1.941 124.784 122.820 0.037 0.000 1.908 452 A HA -0.136 4.165 4.320 -0.031 0.000 0.218 452 A C 2.163 179.789 177.584 0.070 0.000 1.181 452 A CA 1.370 53.434 52.037 0.045 0.000 0.627 452 A CB -0.501 18.521 19.000 0.037 0.000 0.818 452 A HN 0.396 nan 8.150 nan 0.000 0.445 453 R N -0.666 119.888 120.500 0.090 0.000 2.096 453 R HA -0.120 4.202 4.340 -0.031 0.000 0.235 453 R C 1.929 178.268 176.300 0.065 0.000 1.127 453 R CA 1.385 57.544 56.100 0.097 0.000 0.968 453 R CB -0.390 29.965 30.300 0.093 0.000 0.861 453 R HN 0.508 nan 8.270 nan 0.000 0.440 454 N N 0.878 119.611 118.700 0.055 0.000 2.069 454 N HA -0.153 4.569 4.740 -0.031 0.000 0.191 454 N C 1.673 177.214 175.510 0.052 0.000 1.031 454 N CA 1.690 54.769 53.050 0.048 0.000 0.852 454 N CB -0.452 38.063 38.487 0.048 0.000 1.018 454 N HN 0.207 nan 8.380 nan 0.000 0.423 455 A N 1.131 123.984 122.820 0.055 0.000 1.883 455 A HA -0.182 4.120 4.320 -0.031 0.000 0.217 455 A C 2.232 179.849 177.584 0.055 0.000 1.186 455 A CA 1.665 53.736 52.037 0.056 0.000 0.624 455 A CB -0.640 18.393 19.000 0.055 0.000 0.822 455 A HN 0.310 nan 8.150 nan 0.000 0.444 456 R N -0.480 120.055 120.500 0.059 0.000 2.105 456 R HA -0.184 4.137 4.340 -0.031 0.000 0.239 456 R C 2.434 178.766 176.300 0.053 0.000 1.135 456 R CA 1.789 57.925 56.100 0.060 0.000 0.967 456 R CB -0.298 30.048 30.300 0.078 0.000 0.861 456 R HN 0.592 nan 8.270 nan 0.000 0.442 457 R N 0.025 120.554 120.500 0.049 0.000 2.070 457 R HA -0.094 4.228 4.340 -0.031 0.000 0.233 457 R C 2.128 178.452 176.300 0.040 0.000 1.137 457 R CA 1.762 57.886 56.100 0.040 0.000 0.945 457 R CB -0.239 30.082 30.300 0.035 0.000 0.845 457 R HN 0.134 nan 8.270 nan 0.000 0.430 458 V N 1.681 121.622 119.914 0.044 0.000 2.392 458 V HA -0.250 3.852 4.120 -0.031 0.000 0.249 458 V C 2.324 178.445 176.094 0.045 0.000 1.059 458 V CA 1.630 63.956 62.300 0.044 0.000 1.051 458 V CB -0.561 31.291 31.823 0.048 0.000 0.658 458 V HN 0.369 nan 8.190 nan 0.000 0.455 459 L N 0.207 121.458 121.223 0.047 0.000 1.989 459 L HA -0.175 4.147 4.340 -0.031 0.000 0.211 459 L C 2.655 179.552 176.870 0.044 0.000 1.071 459 L CA 2.560 57.428 54.840 0.047 0.000 0.749 459 L CB -0.765 41.323 42.059 0.048 0.000 0.890 459 L HN 0.319 nan 8.230 nan 0.000 0.431 460 S N -0.568 115.157 115.700 0.042 0.000 2.368 460 S HA -0.188 4.263 4.470 -0.031 0.000 0.225 460 S C 1.885 176.506 174.600 0.036 0.000 1.030 460 S CA 1.566 59.789 58.200 0.038 0.000 0.999 460 S CB -0.477 62.744 63.200 0.035 0.000 0.844 460 S HN 0.636 nan 8.310 nan 0.000 0.459 461 N N 2.117 120.839 118.700 0.037 0.000 2.188 461 N HA -0.002 4.720 4.740 -0.031 0.000 0.184 461 N C 1.445 176.980 175.510 0.041 0.000 1.018 461 N CA 0.953 54.025 53.050 0.037 0.000 0.858 461 N CB -0.871 37.638 38.487 0.036 0.000 0.989 461 N HN 0.408 nan 8.380 nan 0.000 0.426 462 N N 1.325 120.052 118.700 0.044 0.000 2.223 462 N HA -0.053 4.669 4.740 -0.031 0.000 0.185 462 N C 1.153 176.695 175.510 0.052 0.000 1.016 462 N CA 0.544 53.624 53.050 0.050 0.000 0.863 462 N CB -0.387 38.131 38.487 0.051 0.000 0.983 462 N HN 0.271 nan 8.380 nan 0.000 0.429 463 N N 0.905 119.633 118.700 0.046 0.000 2.223 463 N HA -0.093 4.629 4.740 -0.031 0.000 0.185 463 N C 1.364 176.898 175.510 0.040 0.000 1.016 463 N CA 0.771 53.846 53.050 0.041 0.000 0.863 463 N CB 0.046 38.554 38.487 0.035 0.000 0.983 463 N HN 0.307 nan 8.380 nan 0.000 0.429 464 K N 0.969 121.394 120.400 0.041 0.000 2.062 464 K HA 0.060 4.362 4.320 -0.031 0.000 0.205 464 K C 2.179 178.810 176.600 0.053 0.000 1.051 464 K CA 0.458 56.769 56.287 0.041 0.000 0.941 464 K CB -0.294 32.227 32.500 0.035 0.000 0.719 464 K HN 0.263 nan 8.250 nan 0.000 0.440 465 I N 1.316 121.921 120.570 0.057 0.000 2.226 465 I HA -0.255 3.897 4.170 -0.031 0.000 0.245 465 I C 2.373 178.539 176.117 0.082 0.000 1.100 465 I CA 1.097 62.436 61.300 0.065 0.000 1.374 465 I CB -0.397 37.639 38.000 0.060 0.000 1.057 465 I HN 0.015 nan 8.210 nan 0.000 0.413 466 L N 0.651 121.929 121.223 0.092 0.000 2.131 466 L HA -0.180 4.142 4.340 -0.031 0.000 0.210 466 L C 2.899 179.881 176.870 0.187 0.000 1.092 466 L CA 1.128 56.058 54.840 0.149 0.000 0.759 466 L CB -0.708 41.444 42.059 0.154 0.000 0.903 466 L HN 0.249 nan 8.230 nan 0.000 0.435 467 A N -0.131 122.744 122.820 0.092 0.000 1.883 467 A HA -0.171 4.131 4.320 -0.031 0.000 0.217 467 A C 2.322 179.984 177.584 0.130 0.000 1.186 467 A CA 1.886 53.965 52.037 0.071 0.000 0.624 467 A CB -0.892 18.136 19.000 0.047 0.000 0.822 467 A HN 0.181 nan 8.150 nan 0.000 0.444 468 V N 0.099 120.085 119.914 0.119 0.000 2.469 468 V HA -0.266 3.836 4.120 -0.031 0.000 0.251 468 V C 2.499 178.688 176.094 0.159 0.000 1.064 468 V CA 2.361 64.753 62.300 0.153 0.000 1.066 468 V CB -0.662 31.233 31.823 0.120 0.000 0.667 468 V HN 0.802 nan 8.190 nan 0.000 0.461 469 E N -1.067 119.202 120.200 0.115 0.000 2.152 469 E HA -0.195 4.136 4.350 -0.031 0.000 0.192 469 E C 2.126 178.721 176.600 -0.009 0.000 0.983 469 E CA 0.990 57.414 56.400 0.040 0.000 0.818 469 E CB -0.146 29.561 29.700 0.012 0.000 0.758 469 E HN 0.680 nan 8.360 nan 0.000 0.467 470 Y N 0.659 120.899 120.300 -0.099 0.000 2.242 470 Y HA -0.134 4.398 4.550 -0.029 0.000 0.291 470 Y C 2.083 177.938 175.900 -0.075 0.000 1.137 470 Y CA 1.165 59.160 58.100 -0.175 0.000 1.181 470 Y CB -0.027 38.212 38.460 -0.369 0.000 0.989 470 Y HN 0.073 nan 8.280 nan 0.000 0.527 471 L N -1.302 120.030 121.223 0.182 0.000 2.027 471 L HA -0.208 4.114 4.340 -0.031 0.000 0.206 471 L C 2.653 179.569 176.870 0.076 0.000 1.074 471 L CA 1.119 56.100 54.840 0.235 0.000 0.745 471 L CB -0.865 41.441 42.059 0.412 0.000 0.898 471 L HN 0.186 nan 8.230 nan 0.000 0.433 472 A N 0.012 122.774 122.820 -0.096 0.000 1.933 472 A HA -0.153 4.149 4.320 -0.031 0.000 0.218 472 A C 2.517 179.917 177.584 -0.306 0.000 1.175 472 A CA 1.688 53.396 52.037 -0.547 0.000 0.628 472 A CB -0.639 18.140 19.000 -0.369 0.000 0.814 472 A HN 0.406 nan 8.150 nan 0.000 0.444 473 A N -0.033 122.691 122.820 -0.160 0.000 1.877 473 A HA 0.162 4.463 4.320 -0.031 0.000 0.216 473 A C 2.539 180.110 177.584 -0.022 0.000 1.186 473 A CA 2.145 54.115 52.037 -0.112 0.000 0.620 473 A CB -1.128 17.780 19.000 -0.153 0.000 0.822 473 A HN 1.064 nan 8.150 nan 0.000 0.443 474 A N -0.874 121.961 122.820 0.024 0.000 1.883 474 A HA -0.240 4.062 4.320 -0.031 0.000 0.217 474 A C 2.170 179.850 177.584 0.161 0.000 1.186 474 A CA 2.300 54.429 52.037 0.153 0.000 0.624 474 A CB -0.633 18.372 19.000 0.009 0.000 0.822 474 A HN 0.560 nan 8.150 nan 0.000 0.444 475 Q N -0.013 119.798 119.800 0.019 0.000 2.061 475 Q HA -0.116 4.206 4.340 -0.031 0.000 0.204 475 Q C 2.035 178.019 176.000 -0.026 0.000 0.984 475 Q CA 2.495 58.287 55.803 -0.017 0.000 0.846 475 Q CB -0.700 27.887 28.738 -0.252 0.000 0.902 475 Q HN 0.570 nan 8.270 nan 0.000 0.421 476 A N -0.588 122.183 122.820 -0.081 0.000 1.940 476 A HA -0.153 4.148 4.320 -0.031 0.000 0.219 476 A C 2.292 179.877 177.584 0.003 0.000 1.176 476 A CA 1.726 53.730 52.037 -0.055 0.000 0.631 476 A CB -0.857 18.099 19.000 -0.074 0.000 0.814 476 A HN 0.293 nan 8.150 nan 0.000 0.446 477 V N 0.502 120.448 119.914 0.053 0.000 2.407 477 V HA -0.229 3.873 4.120 -0.031 0.000 0.248 477 V C 2.119 178.245 176.094 0.053 0.000 1.055 477 V CA 2.248 64.582 62.300 0.058 0.000 1.049 477 V CB -0.735 31.154 31.823 0.109 0.000 0.662 477 V HN 0.510 nan 8.190 nan 0.000 0.455 478 D N 0.095 120.561 120.400 0.109 0.000 2.103 478 D HA -0.059 4.563 4.640 -0.031 0.000 0.199 478 D C 2.098 178.424 176.300 0.044 0.000 0.978 478 D CA 1.223 55.273 54.000 0.084 0.000 0.829 478 D CB -0.208 40.667 40.800 0.124 0.000 0.981 478 D HN 0.364 nan 8.370 nan 0.000 0.464 479 I N 1.210 121.802 120.570 0.036 0.000 2.335 479 I HA -0.230 3.921 4.170 -0.031 0.000 0.251 479 I C 2.038 178.164 176.117 0.014 0.000 1.129 479 I CA 1.255 62.568 61.300 0.021 0.000 1.402 479 I CB -0.178 37.828 38.000 0.011 0.000 1.069 479 I HN -0.001 nan 8.210 nan 0.000 0.424 480 S N -0.028 115.678 115.700 0.011 0.000 2.556 480 S HA 0.216 4.668 4.470 -0.031 0.000 0.216 480 S C 1.572 176.175 174.600 0.005 0.000 0.970 480 S CA 0.251 58.455 58.200 0.006 0.000 0.912 480 S CB 0.365 63.564 63.200 -0.002 0.000 0.790 480 S HN 0.533 nan 8.310 nan 0.000 0.504 481 G N 2.171 110.977 108.800 0.011 0.000 2.341 481 G HA2 -0.310 3.632 3.960 -0.031 0.000 0.292 481 G HA3 -0.310 3.632 3.960 -0.031 0.000 0.292 481 G C 0.521 175.429 174.900 0.012 0.000 1.021 481 G CA 0.468 45.578 45.100 0.015 0.000 0.905 481 G HN 0.598 nan 8.290 nan 0.000 0.508 482 R N -1.190 119.308 120.500 -0.003 0.000 2.388 482 R HA 0.264 4.585 4.340 -0.031 0.000 0.247 482 R C 1.843 178.106 176.300 -0.062 0.000 0.931 482 R CA -0.147 55.934 56.100 -0.032 0.000 1.082 482 R CB -0.090 30.182 30.300 -0.047 0.000 1.135 482 R HN 0.423 nan 8.270 nan 0.000 0.525 483 F N 2.033 121.867 119.950 -0.194 0.000 2.154 483 F HA -0.262 4.246 4.527 -0.031 0.000 0.301 483 F C 1.484 177.178 175.800 -0.177 0.000 1.087 483 F CA 1.707 59.538 58.000 -0.282 0.000 1.274 483 F CB 0.153 38.927 39.000 -0.378 0.000 1.009 483 F HN 0.011 nan 8.300 nan 0.000 0.485 484 D N -0.227 120.068 120.400 -0.175 0.000 2.178 484 D HA -0.064 4.557 4.640 -0.031 0.000 0.202 484 D C 2.317 178.477 176.300 -0.234 0.000 0.974 484 D CA 1.356 55.228 54.000 -0.213 0.000 0.841 484 D CB -0.662 40.109 40.800 -0.049 0.000 0.953 484 D HN 0.436 nan 8.370 nan 0.000 0.478 485 G N 0.075 108.763 108.800 -0.187 0.000 2.920 485 G HA2 0.099 4.041 3.960 -0.031 0.000 0.208 485 G HA3 0.099 4.041 3.960 -0.031 0.000 0.208 485 G C 0.832 175.625 174.900 -0.179 0.000 1.159 485 G CA -0.212 44.797 45.100 -0.151 0.000 0.784 485 G HN 0.149 nan 8.290 nan 0.000 0.535 486 L N 1.742 122.805 121.223 -0.266 0.000 2.467 486 L HA 0.246 4.568 4.340 -0.031 0.000 0.270 486 L C 1.341 178.088 176.870 -0.206 0.000 1.205 486 L CA -0.528 54.167 54.840 -0.242 0.000 0.828 486 L CB 0.895 42.763 42.059 -0.318 0.000 1.101 486 L HN 0.214 nan 8.230 nan 0.000 0.479 487 S N 1.308 116.922 115.700 -0.143 0.000 2.608 487 S HA 0.223 4.675 4.470 -0.031 0.000 0.261 487 S C -1.910 172.629 174.600 -0.102 0.000 1.314 487 S CA -1.071 57.064 58.200 -0.107 0.000 0.992 487 S CB 0.898 64.049 63.200 -0.082 0.000 0.935 487 S HN 0.412 nan 8.310 nan 0.000 0.564 488 P HA 0.025 nan 4.420 nan 0.000 0.218 488 P C 1.345 178.636 177.300 -0.014 0.000 1.149 488 P CA 1.696 64.770 63.100 -0.044 0.000 0.817 488 P CB -0.190 31.493 31.700 -0.028 0.000 0.785 489 A N -0.118 122.693 122.820 -0.015 0.000 1.898 489 A HA 0.066 4.368 4.320 -0.031 0.000 0.214 489 A C 2.274 179.874 177.584 0.027 0.000 1.183 489 A CA 1.529 53.573 52.037 0.011 0.000 0.622 489 A CB -1.468 17.529 19.000 -0.005 0.000 0.824 489 A HN 0.162 nan 8.150 nan 0.000 0.444 490 A N -0.001 122.812 122.820 -0.011 0.000 1.972 490 A HA -0.143 4.159 4.320 -0.031 0.000 0.219 490 A C 2.091 179.718 177.584 0.071 0.000 1.169 490 A CA 1.795 53.833 52.037 0.002 0.000 0.635 490 A CB -0.361 18.604 19.000 -0.059 0.000 0.810 490 A HN 0.533 nan 8.150 nan 0.000 0.446 491 K N -0.421 119.991 120.400 0.020 0.000 2.062 491 K HA 0.035 4.337 4.320 -0.031 0.000 0.205 491 K C 2.370 179.127 176.600 0.261 0.000 1.051 491 K CA 0.943 57.291 56.287 0.102 0.000 0.941 491 K CB -0.296 32.158 32.500 -0.077 0.000 0.719 491 K HN 0.416 nan 8.250 nan 0.000 0.440 492 A N 1.153 124.073 122.820 0.167 0.000 1.883 492 A HA -0.182 4.119 4.320 -0.031 0.000 0.217 492 A C 2.239 179.963 177.584 0.234 0.000 1.186 492 A CA 2.208 54.350 52.037 0.176 0.000 0.624 492 A CB -1.107 17.966 19.000 0.121 0.000 0.822 492 A HN 0.266 nan 8.150 nan 0.000 0.444 493 T N -1.464 113.233 114.554 0.239 0.000 2.652 493 T HA -0.211 4.120 4.350 -0.031 0.000 0.267 493 T C 1.803 176.702 174.700 0.332 0.000 1.039 493 T CA 1.733 64.019 62.100 0.310 0.000 1.153 493 T CB -0.558 68.422 68.868 0.186 0.000 0.863 493 T HN 0.569 nan 8.240 nan 0.000 0.428 494 Y N 1.959 122.377 120.300 0.197 0.000 2.114 494 Y HA -0.220 4.312 4.550 -0.029 0.000 0.282 494 Y C 2.391 178.424 175.900 0.221 0.000 1.165 494 Y CA 1.801 60.029 58.100 0.213 0.000 1.148 494 Y CB -0.287 38.340 38.460 0.278 0.000 0.972 494 Y HN 0.290 nan 8.280 nan 0.000 0.504 495 E N -0.094 120.301 120.200 0.325 0.000 2.110 495 E HA -0.191 4.140 4.350 -0.031 0.000 0.193 495 E C 2.361 179.003 176.600 0.070 0.000 0.988 495 E CA 0.839 57.338 56.400 0.166 0.000 0.804 495 E CB -0.328 29.524 29.700 0.254 0.000 0.745 495 E HN 0.610 nan 8.360 nan 0.000 0.458 496 A N 0.797 123.708 122.820 0.151 0.000 1.883 496 A HA -0.177 4.125 4.320 -0.031 0.000 0.217 496 A C 2.477 180.167 177.584 0.176 0.000 1.186 496 A CA 1.378 53.492 52.037 0.129 0.000 0.624 496 A CB -0.694 18.426 19.000 0.200 0.000 0.822 496 A HN 0.124 nan 8.150 nan 0.000 0.444 497 V N 0.099 120.192 119.914 0.298 0.000 2.270 497 V HA -0.209 3.893 4.120 -0.031 0.000 0.245 497 V C 2.597 178.702 176.094 0.017 0.000 1.043 497 V CA 1.935 64.377 62.300 0.238 0.000 1.014 497 V CB -0.806 31.108 31.823 0.152 0.000 0.645 497 V HN 0.447 nan 8.190 nan 0.000 0.447 498 R N -0.040 120.360 120.500 -0.167 0.000 2.241 498 R HA -0.105 4.217 4.340 -0.031 0.000 0.224 498 R C 2.293 178.548 176.300 -0.075 0.000 1.101 498 R CA 0.965 56.954 56.100 -0.185 0.000 0.995 498 R CB -0.678 29.397 30.300 -0.374 0.000 0.870 498 R HN 0.502 nan 8.270 nan 0.000 0.463 499 R N 0.457 120.932 120.500 -0.041 0.000 2.189 499 R HA -0.004 4.318 4.340 -0.031 0.000 0.218 499 R C 1.770 178.059 176.300 -0.018 0.000 1.074 499 R CA 0.808 56.894 56.100 -0.023 0.000 0.991 499 R CB 0.103 30.391 30.300 -0.020 0.000 0.883 499 R HN 0.150 nan 8.270 nan 0.000 0.457 500 L N -0.574 120.645 121.223 -0.006 0.000 2.269 500 L HA 0.208 4.530 4.340 -0.031 0.000 0.200 500 L C -0.013 176.867 176.870 0.015 0.000 1.069 500 L CA 0.113 54.956 54.840 0.006 0.000 0.804 500 L CB 0.782 42.857 42.059 0.025 0.000 0.987 500 L HN -0.124 nan 8.230 nan 0.000 0.468 501 V N 0.003 119.929 119.914 0.020 0.000 2.577 501 V HA 0.379 4.480 4.120 -0.031 0.000 0.303 501 V C -2.398 173.702 176.094 0.011 0.000 1.042 501 V CA -1.574 60.741 62.300 0.025 0.000 0.872 501 V CB 1.753 33.607 31.823 0.051 0.000 0.998 501 V HN -0.066 nan 8.190 nan 0.000 0.423 502 P HA 0.176 nan 4.420 nan 0.000 0.272 502 P C 0.091 177.416 177.300 0.041 0.000 1.240 502 P CA -0.055 63.054 63.100 0.015 0.000 0.791 502 P CB 0.398 32.108 31.700 0.017 0.000 0.978 503 T N 0.782 115.365 114.554 0.049 0.000 2.903 503 T HA 0.078 4.410 4.350 -0.031 0.000 0.314 503 T C -0.011 174.745 174.700 0.093 0.000 1.078 503 T CA -0.269 61.884 62.100 0.088 0.000 1.114 503 T CB -0.276 68.643 68.868 0.085 0.000 0.987 503 T HN 0.173 nan 8.240 nan 0.000 0.548 504 L N 6.022 127.334 121.223 0.148 0.000 2.334 504 L HA 0.478 4.800 4.340 -0.031 0.000 0.286 504 L C 1.011 177.926 176.870 0.076 0.000 1.108 504 L CA 0.405 55.320 54.840 0.125 0.000 0.875 504 L CB -0.077 42.118 42.059 0.228 0.000 1.246 504 L HN 0.896 nan 8.230 nan 0.000 0.439 505 G N 4.011 112.829 108.800 0.030 0.000 2.658 505 G HA2 0.121 4.062 3.960 -0.031 0.000 0.217 505 G HA3 0.121 4.062 3.960 -0.031 0.000 0.217 505 G C 0.370 175.222 174.900 -0.079 0.000 1.319 505 G CA 0.601 45.693 45.100 -0.014 0.000 0.885 505 G HN 0.576 nan 8.290 nan 0.000 0.553 506 V N -1.072 118.809 119.914 -0.056 0.000 2.863 506 V HA 0.475 4.576 4.120 -0.031 0.000 0.307 506 V C -0.485 175.653 176.094 0.073 0.000 1.061 506 V CA -1.349 60.911 62.300 -0.066 0.000 1.024 506 V CB 1.429 33.299 31.823 0.078 0.000 1.049 506 V HN 0.173 nan 8.190 nan 0.000 0.471 507 D N 2.472 123.044 120.400 0.285 0.000 2.449 507 D HA 0.369 4.991 4.640 -0.031 0.000 0.236 507 D C 0.357 176.717 176.300 0.099 0.000 1.149 507 D CA 0.743 54.859 54.000 0.194 0.000 0.878 507 D CB 0.376 41.311 40.800 0.224 0.000 1.198 507 D HN 0.905 nan 8.370 nan 0.000 0.446 508 R N 0.681 121.204 120.500 0.038 0.000 2.712 508 R HA 0.233 4.555 4.340 -0.031 0.000 0.272 508 R C -1.098 175.233 176.300 0.051 0.000 1.032 508 R CA -1.029 55.103 56.100 0.053 0.000 0.874 508 R CB 0.217 30.548 30.300 0.051 0.000 1.256 508 R HN 0.287 nan 8.270 nan 0.000 0.468 509 Y N 2.680 122.956 120.300 -0.040 0.000 2.802 509 Y HA -0.064 4.466 4.550 -0.032 0.000 0.333 509 Y C 0.781 176.641 175.900 -0.067 0.000 1.244 509 Y CA 0.711 58.783 58.100 -0.045 0.000 1.558 509 Y CB 0.635 39.077 38.460 -0.030 0.000 1.233 509 Y HN 0.582 nan 8.280 nan 0.000 0.547 510 M N 4.811 124.226 119.600 -0.307 0.000 2.516 510 M HA 0.076 4.537 4.480 -0.031 0.000 0.259 510 M C 2.155 178.299 176.300 -0.260 0.000 1.146 510 M CA 0.934 56.079 55.300 -0.258 0.000 1.122 510 M CB -1.088 31.331 32.600 -0.302 0.000 1.341 510 M HN 0.830 nan 8.290 nan 0.000 0.478 511 A N 1.543 124.065 122.820 -0.497 0.000 1.903 511 A HA -0.225 4.077 4.320 -0.031 0.000 0.219 511 A C 1.852 179.412 177.584 -0.039 0.000 1.191 511 A CA 2.282 54.145 52.037 -0.290 0.000 0.638 511 A CB -0.728 18.028 19.000 -0.406 0.000 0.823 511 A HN 0.415 nan 8.150 nan 0.000 0.451 512 D N -0.110 120.360 120.400 0.117 0.000 2.117 512 D HA -0.106 4.516 4.640 -0.031 0.000 0.198 512 D C 1.391 177.727 176.300 0.060 0.000 0.982 512 D CA 1.406 55.482 54.000 0.127 0.000 0.828 512 D CB -0.521 40.385 40.800 0.176 0.000 0.967 512 D HN 0.404 nan 8.370 nan 0.000 0.464 513 D N 0.682 121.106 120.400 0.041 0.000 2.123 513 D HA -0.107 4.515 4.640 -0.031 0.000 0.196 513 D C 2.286 178.598 176.300 0.021 0.000 0.992 513 D CA 0.509 54.523 54.000 0.023 0.000 0.833 513 D CB -0.304 40.494 40.800 -0.003 0.000 0.954 513 D HN 0.301 nan 8.370 nan 0.000 0.455 514 I N 0.411 120.979 120.570 -0.004 0.000 2.252 514 I HA -0.206 3.945 4.170 -0.031 0.000 0.245 514 I C 2.295 178.425 176.117 0.021 0.000 1.102 514 I CA 0.910 62.215 61.300 0.008 0.000 1.385 514 I CB -0.124 37.864 38.000 -0.020 0.000 1.064 514 I HN -0.126 nan 8.210 nan 0.000 0.414 515 E N 1.083 121.294 120.200 0.018 0.000 2.106 515 E HA -0.204 4.128 4.350 -0.031 0.000 0.192 515 E C 1.967 178.583 176.600 0.026 0.000 0.984 515 E CA 0.981 57.395 56.400 0.023 0.000 0.806 515 E CB -0.224 29.492 29.700 0.026 0.000 0.750 515 E HN 0.278 nan 8.360 nan 0.000 0.458 516 L N -0.602 120.639 121.223 0.030 0.000 2.083 516 L HA -0.115 4.207 4.340 -0.031 0.000 0.209 516 L C 2.022 178.913 176.870 0.036 0.000 1.083 516 L CA 1.256 56.112 54.840 0.027 0.000 0.752 516 L CB -0.208 41.868 42.059 0.029 0.000 0.899 516 L HN 0.047 nan 8.230 nan 0.000 0.433 517 V N -0.629 119.320 119.914 0.058 0.000 2.591 517 V HA -0.108 3.994 4.120 -0.031 0.000 0.249 517 V C 2.653 178.789 176.094 0.069 0.000 1.053 517 V CA 1.163 63.520 62.300 0.096 0.000 1.068 517 V CB -0.987 30.898 31.823 0.103 0.000 0.689 517 V HN 0.534 nan 8.190 nan 0.000 0.462 518 A N 0.246 123.090 122.820 0.040 0.000 1.877 518 A HA -0.240 4.062 4.320 -0.031 0.000 0.216 518 A C 1.966 179.565 177.584 0.026 0.000 1.186 518 A CA 2.101 54.155 52.037 0.029 0.000 0.620 518 A CB -0.609 18.408 19.000 0.027 0.000 0.822 518 A HN 0.499 nan 8.150 nan 0.000 0.443 519 D N -0.034 120.378 120.400 0.020 0.000 2.117 519 D HA -0.014 4.608 4.640 -0.031 0.000 0.197 519 D C 2.217 178.512 176.300 -0.007 0.000 0.987 519 D CA 1.474 55.478 54.000 0.007 0.000 0.829 519 D CB -0.369 40.433 40.800 0.003 0.000 0.961 519 D HN 0.410 nan 8.370 nan 0.000 0.460 520 A N 0.312 123.124 122.820 -0.013 0.000 1.902 520 A HA -0.126 4.176 4.320 -0.031 0.000 0.217 520 A C 2.291 179.845 177.584 -0.051 0.000 1.181 520 A CA 0.953 52.942 52.037 -0.080 0.000 0.623 520 A CB -0.782 18.132 19.000 -0.143 0.000 0.818 520 A HN 0.224 nan 8.150 nan 0.000 0.443 521 L N 0.480 121.735 121.223 0.052 0.000 2.083 521 L HA -0.173 4.149 4.340 -0.031 0.000 0.209 521 L C 2.945 179.837 176.870 0.036 0.000 1.083 521 L CA 1.525 56.409 54.840 0.074 0.000 0.752 521 L CB -0.353 41.721 42.059 0.025 0.000 0.899 521 L HN 0.606 nan 8.230 nan 0.000 0.433 522 S N -0.346 115.366 115.700 0.021 0.000 2.447 522 S HA -0.142 4.309 4.470 -0.031 0.000 0.233 522 S C 1.898 176.504 174.600 0.009 0.000 1.006 522 S CA 0.607 58.818 58.200 0.019 0.000 0.957 522 S CB -0.283 62.927 63.200 0.017 0.000 0.773 522 S HN 0.429 nan 8.310 nan 0.000 0.507 523 R N 0.605 121.099 120.500 -0.010 0.000 2.334 523 R HA 0.305 4.626 4.340 -0.031 0.000 0.216 523 R C 1.311 177.596 176.300 -0.026 0.000 0.905 523 R CA 0.357 56.443 56.100 -0.022 0.000 1.064 523 R CB -0.066 30.209 30.300 -0.043 0.000 1.046 523 R HN 0.539 nan 8.270 nan 0.000 0.508 524 G N 1.741 110.534 108.800 -0.012 0.000 2.176 524 G HA2 -0.262 3.680 3.960 -0.031 0.000 0.252 524 G HA3 -0.262 3.680 3.960 -0.031 0.000 0.252 524 G C 0.621 175.494 174.900 -0.045 0.000 1.024 524 G CA 0.260 45.362 45.100 0.005 0.000 0.755 524 G HN 0.256 nan 8.290 nan 0.000 0.507 525 E N -0.427 119.681 120.200 -0.152 0.000 2.118 525 E HA -0.081 4.250 4.350 -0.031 0.000 0.195 525 E C 2.035 178.412 176.600 -0.372 0.000 0.992 525 E CA 1.270 57.474 56.400 -0.326 0.000 0.804 525 E CB -0.289 29.077 29.700 -0.556 0.000 0.741 525 E HN 0.650 nan 8.360 nan 0.000 0.458 526 F N 0.171 120.102 119.950 -0.033 0.000 2.456 526 F HA -0.023 4.484 4.527 -0.033 0.000 0.298 526 F C 2.197 178.035 175.800 0.063 0.000 1.104 526 F CA 0.216 58.236 58.000 0.034 0.000 1.435 526 F CB -0.324 38.707 39.000 0.052 0.000 1.078 526 F HN 0.012 nan 8.300 nan 0.000 0.546 527 L N 0.295 121.617 121.223 0.165 0.000 2.131 527 L HA -0.033 4.289 4.340 -0.031 0.000 0.206 527 L C 2.543 179.452 176.870 0.065 0.000 1.087 527 L CA 1.492 56.401 54.840 0.116 0.000 0.767 527 L CB -0.561 41.551 42.059 0.089 0.000 0.917 527 L HN 0.011 nan 8.230 nan 0.000 0.441 528 R N -0.459 120.054 120.500 0.021 0.000 2.075 528 R HA -0.133 4.189 4.340 -0.031 0.000 0.232 528 R C 2.185 178.488 176.300 0.006 0.000 1.126 528 R CA 1.325 57.424 56.100 -0.002 0.000 0.963 528 R CB -0.407 29.869 30.300 -0.040 0.000 0.858 528 R HN 0.467 nan 8.270 nan 0.000 0.435 529 A N 1.457 124.278 122.820 0.003 0.000 1.917 529 A HA -0.161 4.140 4.320 -0.031 0.000 0.219 529 A C 2.058 179.679 177.584 0.062 0.000 1.182 529 A CA 1.378 53.433 52.037 0.031 0.000 0.633 529 A CB -0.471 18.564 19.000 0.059 0.000 0.819 529 A HN 0.322 nan 8.150 nan 0.000 0.448 530 I N -0.316 120.303 120.570 0.082 0.000 2.493 530 I HA -0.193 3.958 4.170 -0.031 0.000 0.254 530 I C 2.770 178.914 176.117 0.046 0.000 1.160 530 I CA 1.248 62.591 61.300 0.072 0.000 1.445 530 I CB -1.533 36.514 38.000 0.079 0.000 1.086 530 I HN 0.384 nan 8.210 nan 0.000 0.433 531 A N 2.002 124.845 122.820 0.038 0.000 1.872 531 A HA -0.154 4.147 4.320 -0.031 0.000 0.214 531 A C 2.275 179.872 177.584 0.021 0.000 1.187 531 A CA 1.112 53.165 52.037 0.026 0.000 0.614 531 A CB -0.411 18.601 19.000 0.020 0.000 0.826 531 A HN 0.506 nan 8.150 nan 0.000 0.442 532 R N -1.320 119.191 120.500 0.020 0.000 2.317 532 R HA 0.201 4.523 4.340 -0.031 0.000 0.208 532 R C 0.320 176.634 176.300 0.024 0.000 0.914 532 R CA 0.633 56.743 56.100 0.017 0.000 1.060 532 R CB 0.150 30.456 30.300 0.010 0.000 1.015 532 R HN 0.285 nan 8.270 nan 0.000 0.498 533 E N 1.224 121.443 120.200 0.032 0.000 2.434 533 E HA 0.051 4.383 4.350 -0.031 0.000 0.207 533 E C 0.524 177.143 176.600 0.031 0.000 0.929 533 E CA 0.944 57.367 56.400 0.038 0.000 1.001 533 E CB 1.256 30.990 29.700 0.055 0.000 1.016 533 E HN 0.411 nan 8.360 nan 0.000 0.502 534 T N -2.168 112.402 114.554 0.028 0.000 2.831 534 T HA 0.392 4.723 4.350 -0.031 0.000 0.287 534 T C -0.080 174.629 174.700 0.015 0.000 1.070 534 T CA -0.725 61.387 62.100 0.019 0.000 1.010 534 T CB 1.781 70.660 68.868 0.019 0.000 1.264 534 T HN -0.334 nan 8.240 nan 0.000 0.532 535 D N 0.424 120.830 120.400 0.010 0.000 2.463 535 D HA 0.297 4.918 4.640 -0.031 0.000 0.224 535 D C 0.107 176.411 176.300 0.007 0.000 1.174 535 D CA -0.035 53.970 54.000 0.008 0.000 0.829 535 D CB 0.187 40.990 40.800 0.005 0.000 0.993 535 D HN 0.517 nan 8.370 nan 0.000 0.497 536 I N 1.358 121.933 120.570 0.009 0.000 2.395 536 I HA 0.072 4.224 4.170 -0.031 0.000 0.289 536 I C 0.464 176.589 176.117 0.013 0.000 1.023 536 I CA -0.106 61.199 61.300 0.008 0.000 1.350 536 I CB 0.836 38.840 38.000 0.006 0.000 1.409 536 I HN -0.376 nan 8.210 nan 0.000 0.507 537 Q N 7.119 126.925 119.800 0.011 0.000 2.381 537 Q HA 0.493 4.814 4.340 -0.031 0.000 0.263 537 Q C -1.031 174.979 176.000 0.015 0.000 1.030 537 Q CA -0.598 55.213 55.803 0.014 0.000 0.772 537 Q CB 2.242 30.986 28.738 0.011 0.000 1.232 537 Q HN 0.565 nan 8.270 nan 0.000 0.476 538 L N 2.312 123.548 121.223 0.022 0.000 2.375 538 L HA 0.436 4.758 4.340 -0.031 0.000 0.271 538 L C 0.684 177.575 176.870 0.034 0.000 1.107 538 L CA -0.517 54.339 54.840 0.026 0.000 0.806 538 L CB 0.595 42.674 42.059 0.032 0.000 1.146 538 L HN 0.424 nan 8.230 nan 0.000 0.447 539 R N 0.000 120.524 120.500 0.040 0.000 2.786 539 R HA 0.000 4.322 4.340 -0.031 0.000 0.208 539 R CA 0.000 56.133 56.100 0.055 0.000 0.921 539 R CB 0.000 30.336 30.300 0.060 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535