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 2pqc_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAATGCRL DATA SEQUENCE TMGLVGVYDF DSTFIGDASL TKRPMGRVLN PLREMGVQVK SEDGDRLPVT DATA SEQUENCE LRGPKTPTPI TYRVPMASAQ VKSAVLLAGL NTPGITTVIE PIMTRDHTEK DATA SEQUENCE MLQGFGANLT VETDADGVRT IRLEGRGKLT GQVIDVPGDP SSTAFPLVAA DATA SEQUENCE LLVPGSDVTI LNVLMNPTRT GLILTLQEMG ADIEVINPRL AGGEDVADLR DATA SEQUENCE VRSSTLKGVT VPEDRAPSMI DEYPILAVAA AFAEGATVMN GLEELRVKES DATA SEQUENCE DRLSAVANGL KLNGVDCDEG ETSLVVRGRP DGKGLGNASG AAVATHLDHR DATA SEQUENCE IAMSFLVMGL VSENPVTVDD ATMIATSFPE FMDLMAGLGA KIELS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.597 174.600 -0.006 0.000 1.055 6 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 6 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 7 S N 0.138 115.832 115.700 -0.010 0.000 2.671 7 S HA 0.908 5.378 4.470 -0.000 0.000 0.299 7 S C -1.342 173.251 174.600 -0.011 0.000 1.116 7 S CA -1.074 57.119 58.200 -0.012 0.000 0.912 7 S CB 1.497 64.685 63.200 -0.020 0.000 1.130 7 S HN 0.820 nan 8.310 nan 0.000 0.501 8 R N 1.543 122.036 120.500 -0.011 0.000 2.507 8 R HA 0.494 4.834 4.340 -0.000 0.000 0.298 8 R C -3.060 173.234 176.300 -0.010 0.000 1.087 8 R CA -2.064 54.031 56.100 -0.008 0.000 0.917 8 R CB 1.446 31.744 30.300 -0.003 0.000 1.173 8 R HN 0.567 nan 8.270 nan 0.000 0.472 9 P HA 0.291 nan 4.420 nan 0.000 0.272 9 P C -0.851 176.448 177.300 -0.000 0.000 1.230 9 P CA -0.316 62.778 63.100 -0.010 0.000 0.788 9 P CB 1.135 32.828 31.700 -0.013 0.000 0.949 10 A N 1.009 123.832 122.820 0.006 0.000 2.515 10 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 10 A C -0.873 176.727 177.584 0.028 0.000 1.059 10 A CA -0.426 51.622 52.037 0.019 0.000 0.698 10 A CB 1.244 20.261 19.000 0.028 0.000 1.289 10 A HN 0.412 nan 8.150 nan 0.000 0.404 11 T N 1.361 115.933 114.554 0.031 0.000 2.841 11 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 11 T C -0.165 174.561 174.700 0.043 0.000 0.991 11 T CA 0.114 62.237 62.100 0.037 0.000 0.966 11 T CB 1.499 70.383 68.868 0.027 0.000 0.962 11 T HN 1.330 nan 8.240 nan 0.000 0.438 12 A N 3.925 126.781 122.820 0.059 0.000 2.301 12 A HA 0.807 5.127 4.320 -0.000 0.000 0.312 12 A C 0.012 177.624 177.584 0.047 0.000 1.182 12 A CA -0.738 51.332 52.037 0.055 0.000 0.826 12 A CB 0.614 19.662 19.000 0.080 0.000 1.134 12 A HN 0.822 nan 8.150 nan 0.000 0.501 13 R N 1.030 121.547 120.500 0.028 0.000 2.778 13 R HA 0.422 4.762 4.340 -0.000 0.000 0.277 13 R C -0.393 175.914 176.300 0.012 0.000 0.977 13 R CA -0.941 55.173 56.100 0.023 0.000 0.950 13 R CB 1.709 32.017 30.300 0.014 0.000 1.165 13 R HN 0.771 nan 8.270 nan 0.000 0.474 14 K N 1.280 121.688 120.400 0.014 0.000 2.491 14 K HA -0.022 4.298 4.320 -0.000 0.000 0.279 14 K C -0.272 176.321 176.600 -0.012 0.000 1.026 14 K CA 0.396 56.683 56.287 -0.000 0.000 1.070 14 K CB 0.515 33.019 32.500 0.007 0.000 0.887 14 K HN 0.500 nan 8.250 nan 0.000 0.481 15 S N 2.191 117.875 115.700 -0.026 0.000 2.578 15 S HA 0.142 4.612 4.470 -0.000 0.000 0.283 15 S C 0.806 175.387 174.600 -0.031 0.000 1.195 15 S CA -0.372 57.809 58.200 -0.030 0.000 1.050 15 S CB 1.372 64.548 63.200 -0.040 0.000 1.012 15 S HN 0.676 nan 8.310 nan 0.000 0.511 16 S N 2.336 118.020 115.700 -0.026 0.000 2.593 16 S HA 0.482 4.952 4.470 -0.000 0.000 0.217 16 S C 0.792 175.376 174.600 -0.026 0.000 0.966 16 S CA 0.094 58.280 58.200 -0.023 0.000 0.914 16 S CB -0.448 62.742 63.200 -0.017 0.000 0.776 16 S HN 1.628 nan 8.310 nan 0.000 0.523 17 G N 0.665 109.446 108.800 -0.031 0.000 2.249 17 G HA2 0.293 4.253 3.960 -0.000 0.000 0.252 17 G HA3 0.293 4.253 3.960 -0.000 0.000 0.252 17 G C -1.388 173.493 174.900 -0.032 0.000 1.697 17 G CA -1.172 43.909 45.100 -0.031 0.000 0.916 17 G HN 0.276 nan 8.290 nan 0.000 0.725 18 L N 1.503 122.706 121.223 -0.033 0.000 2.309 18 L HA 0.857 5.197 4.340 -0.000 0.000 0.282 18 L C 0.499 177.354 176.870 -0.025 0.000 1.036 18 L CA -0.873 53.948 54.840 -0.032 0.000 0.806 18 L CB 1.970 44.008 42.059 -0.035 0.000 1.220 18 L HN 0.608 nan 8.230 nan 0.000 0.429 19 S N 1.488 117.175 115.700 -0.022 0.000 2.543 19 S HA 0.902 5.372 4.470 -0.000 0.000 0.271 19 S C -0.591 174.001 174.600 -0.014 0.000 1.148 19 S CA 0.187 58.377 58.200 -0.016 0.000 0.914 19 S CB 1.791 64.982 63.200 -0.015 0.000 1.096 19 S HN 1.065 nan 8.310 nan 0.000 0.471 20 G N 1.820 110.614 108.800 -0.009 0.000 2.356 20 G HA2 0.362 4.322 3.960 -0.000 0.000 0.288 20 G HA3 0.362 4.322 3.960 -0.000 0.000 0.288 20 G C -1.413 173.487 174.900 -0.001 0.000 1.302 20 G CA -0.308 44.789 45.100 -0.006 0.000 0.887 20 G HN 0.872 nan 8.290 nan 0.000 0.521 21 T N 0.279 114.834 114.554 0.002 0.000 2.879 21 T HA 0.715 5.065 4.350 -0.000 0.000 0.290 21 T C -0.258 174.448 174.700 0.011 0.000 0.993 21 T CA 0.085 62.188 62.100 0.006 0.000 0.975 21 T CB 1.323 70.193 68.868 0.004 0.000 0.981 21 T HN 1.810 nan 8.240 nan 0.000 0.439 22 V N 1.279 121.204 119.914 0.017 0.000 3.007 22 V HA 0.758 4.878 4.120 -0.000 0.000 0.311 22 V C -0.632 175.479 176.094 0.028 0.000 1.120 22 V CA -1.521 60.795 62.300 0.027 0.000 0.980 22 V CB 2.122 33.970 31.823 0.042 0.000 1.033 22 V HN 0.812 nan 8.190 nan 0.000 0.429 23 R N 2.029 122.547 120.500 0.030 0.000 2.312 23 R HA 0.670 5.010 4.340 -0.000 0.000 0.311 23 R C -0.734 175.582 176.300 0.026 0.000 1.004 23 R CA -0.656 55.456 56.100 0.020 0.000 0.902 23 R CB 1.363 31.674 30.300 0.017 0.000 1.073 23 R HN 0.858 nan 8.270 nan 0.000 0.457 24 I N 6.169 126.739 120.570 0.000 0.000 2.581 24 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 24 I C -2.082 173.988 176.117 -0.078 0.000 1.047 24 I CA -2.400 58.877 61.300 -0.038 0.000 1.374 24 I CB 1.110 39.067 38.000 -0.071 0.000 1.423 24 I HN 0.646 nan 8.210 nan 0.000 0.549 25 P HA 0.196 nan 4.420 nan 0.000 0.270 25 P C -0.490 176.725 177.300 -0.143 0.000 1.223 25 P CA -0.270 62.757 63.100 -0.122 0.000 0.785 25 P CB 0.302 31.912 31.700 -0.150 0.000 0.923 26 G N 0.506 109.240 108.800 -0.110 0.000 2.630 26 G HA2 0.040 4.000 3.960 -0.000 0.000 0.236 26 G HA3 0.040 4.000 3.960 -0.000 0.000 0.236 26 G C -0.377 174.431 174.900 -0.154 0.000 1.248 26 G CA -0.171 44.856 45.100 -0.122 0.000 0.844 26 G HN 0.499 nan 8.290 nan 0.000 0.588 27 D N -0.404 119.905 120.400 -0.151 0.000 2.417 27 D HA 0.047 4.687 4.640 -0.000 0.000 0.250 27 D C 1.435 177.620 176.300 -0.191 0.000 1.166 27 D CA 0.006 53.909 54.000 -0.163 0.000 0.881 27 D CB 0.928 41.617 40.800 -0.184 0.000 1.164 27 D HN 0.400 nan 8.370 nan 0.000 0.467 28 K N 1.751 122.060 120.400 -0.152 0.000 2.026 28 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 28 K C 1.808 178.342 176.600 -0.111 0.000 1.048 28 K CA 1.152 57.341 56.287 -0.164 0.000 0.929 28 K CB 0.047 32.512 32.500 -0.058 0.000 0.713 28 K HN 0.372 nan 8.250 nan 0.000 0.439 29 S N 0.927 116.593 115.700 -0.057 0.000 2.359 29 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 29 S C 1.880 176.391 174.600 -0.148 0.000 1.035 29 S CA 1.548 59.731 58.200 -0.027 0.000 1.018 29 S CB -0.253 62.934 63.200 -0.021 0.000 0.876 29 S HN 0.280 nan 8.310 nan 0.000 0.448 30 I N 1.024 121.408 120.570 -0.310 0.000 2.353 30 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 30 I C 2.358 178.338 176.117 -0.227 0.000 1.119 30 I CA 0.707 61.844 61.300 -0.271 0.000 1.417 30 I CB -0.273 37.557 38.000 -0.283 0.000 1.078 30 I HN 0.201 nan 8.210 nan 0.000 0.421 31 S N -0.459 115.075 115.700 -0.276 0.000 2.368 31 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 31 S C 1.989 176.339 174.600 -0.416 0.000 1.030 31 S CA 1.019 58.980 58.200 -0.398 0.000 0.999 31 S CB -0.409 62.505 63.200 -0.477 0.000 0.844 31 S HN 0.441 nan 8.310 nan 0.000 0.459 32 H N 1.432 120.339 119.070 -0.271 0.000 2.290 32 H HA 0.011 4.567 4.556 -0.000 0.000 0.298 32 H C 2.376 177.557 175.328 -0.245 0.000 1.087 32 H CA 1.533 57.467 56.048 -0.190 0.000 1.291 32 H CB -0.199 29.487 29.762 -0.126 0.000 1.369 32 H HN 0.308 nan 8.280 nan 0.000 0.492 33 R N 0.092 120.457 120.500 -0.224 0.000 2.148 33 R HA -0.046 4.294 4.340 -0.000 0.000 0.227 33 R C 2.639 178.566 176.300 -0.622 0.000 1.103 33 R CA 1.024 56.719 56.100 -0.674 0.000 0.983 33 R CB 0.033 29.906 30.300 -0.712 0.000 0.874 33 R HN 0.114 nan 8.270 nan 0.000 0.451 34 S N 0.305 115.849 115.700 -0.260 0.000 2.368 34 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 34 S C 1.432 176.098 174.600 0.109 0.000 1.029 34 S CA 0.977 59.153 58.200 -0.040 0.000 0.988 34 S CB -0.179 62.981 63.200 -0.068 0.000 0.838 34 S HN 0.167 nan 8.310 nan 0.000 0.462 35 F N 1.640 121.521 119.950 -0.114 0.000 2.146 35 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 35 F C 2.259 178.027 175.800 -0.052 0.000 1.096 35 F CA 0.458 58.414 58.000 -0.073 0.000 1.275 35 F CB -1.012 37.923 39.000 -0.107 0.000 1.008 35 F HN 0.186 nan 8.300 nan 0.000 0.480 36 M N -1.414 118.226 119.600 0.065 0.000 2.077 36 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 36 M C 2.194 178.562 176.300 0.113 0.000 1.070 36 M CA 1.627 56.942 55.300 0.025 0.000 1.125 36 M CB -0.602 31.944 32.600 -0.090 0.000 1.339 36 M HN -0.045 nan 8.290 nan 0.000 0.409 37 F N -0.040 119.823 119.950 -0.145 0.000 2.206 37 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 37 F C 2.592 178.203 175.800 -0.314 0.000 1.090 37 F CA 1.005 58.724 58.000 -0.470 0.000 1.323 37 F CB -2.022 36.334 39.000 -1.074 0.000 1.028 37 F HN 0.151 nan 8.300 nan 0.000 0.492 38 G N -0.073 108.839 108.800 0.187 0.000 2.422 38 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 38 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 38 G C 2.048 177.080 174.900 0.220 0.000 1.146 38 G CA 0.839 46.147 45.100 0.345 0.000 0.769 38 G HN 0.501 nan 8.290 nan 0.000 0.547 39 G N 0.375 109.264 108.800 0.148 0.000 2.421 39 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 39 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 39 G C 1.662 176.618 174.900 0.094 0.000 1.143 39 G CA 0.895 46.049 45.100 0.090 0.000 0.784 39 G HN 0.394 nan 8.290 nan 0.000 0.541 40 L N 0.804 122.092 121.223 0.109 0.000 2.209 40 L HA 0.546 4.886 4.340 -0.000 0.000 0.207 40 L C 1.952 178.889 176.870 0.112 0.000 1.094 40 L CA 0.695 55.597 54.840 0.103 0.000 0.790 40 L CB -0.469 41.650 42.059 0.100 0.000 0.932 40 L HN 0.196 nan 8.230 nan 0.000 0.447 41 A N -0.750 122.157 122.820 0.144 0.000 2.366 41 A HA 0.381 4.701 4.320 -0.000 0.000 0.250 41 A C 0.488 178.174 177.584 0.171 0.000 1.099 41 A CA -0.013 52.144 52.037 0.201 0.000 0.794 41 A CB -0.133 19.117 19.000 0.417 0.000 1.056 41 A HN 0.309 nan 8.150 nan 0.000 0.499 42 S N 0.105 115.898 115.700 0.155 0.000 2.523 42 S HA 0.552 5.022 4.470 -0.000 0.000 0.275 42 S C 0.799 175.467 174.600 0.113 0.000 1.281 42 S CA 0.429 58.698 58.200 0.114 0.000 1.050 42 S CB 0.356 63.611 63.200 0.090 0.000 0.937 42 S HN 2.168 nan 8.310 nan 0.000 0.492 43 G N 2.736 111.592 108.800 0.093 0.000 2.584 43 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.229 43 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.229 43 G C -0.550 174.410 174.900 0.100 0.000 1.320 43 G CA -0.350 44.799 45.100 0.083 0.000 0.891 43 G HN 0.742 nan 8.290 nan 0.000 0.573 44 E N -0.330 119.922 120.200 0.085 0.000 2.249 44 E HA 0.604 4.954 4.350 -0.000 0.000 0.280 44 E C -0.486 176.179 176.600 0.109 0.000 1.016 44 E CA -0.197 56.260 56.400 0.094 0.000 0.830 44 E CB 0.917 30.657 29.700 0.067 0.000 1.081 44 E HN 0.467 nan 8.360 nan 0.000 0.395 45 T N 4.270 118.914 114.554 0.149 0.000 2.841 45 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 45 T C -0.780 174.018 174.700 0.163 0.000 1.000 45 T CA -0.687 61.515 62.100 0.170 0.000 0.977 45 T CB 0.910 69.960 68.868 0.304 0.000 0.979 45 T HN 0.394 nan 8.240 nan 0.000 0.446 46 R N 2.735 123.311 120.500 0.127 0.000 2.480 46 R HA 0.647 4.987 4.340 -0.000 0.000 0.306 46 R C -0.890 175.494 176.300 0.139 0.000 0.958 46 R CA -0.658 55.520 56.100 0.129 0.000 0.861 46 R CB 1.637 31.984 30.300 0.078 0.000 1.171 46 R HN 0.512 nan 8.270 nan 0.000 0.445 47 I N 2.170 122.854 120.570 0.191 0.000 2.406 47 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 47 I C 0.156 176.374 176.117 0.168 0.000 0.999 47 I CA -0.709 60.692 61.300 0.169 0.000 1.124 47 I CB 2.244 40.354 38.000 0.184 0.000 1.289 47 I HN 0.609 nan 8.210 nan 0.000 0.441 48 T N 0.824 115.440 114.554 0.103 0.000 2.885 48 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 48 T C 0.748 175.483 174.700 0.060 0.000 1.019 48 T CA -0.102 62.052 62.100 0.090 0.000 1.010 48 T CB 1.798 70.699 68.868 0.055 0.000 1.022 48 T HN 1.080 nan 8.240 nan 0.000 0.466 49 G N 0.804 109.642 108.800 0.063 0.000 2.143 49 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.249 49 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.249 49 G C -0.068 174.822 174.900 -0.017 0.000 0.981 49 G CA 0.017 45.130 45.100 0.021 0.000 0.665 49 G HN 1.077 nan 8.290 nan 0.000 0.528 50 L N 0.666 121.886 121.223 -0.005 0.000 2.525 50 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 50 L C 0.833 177.603 176.870 -0.168 0.000 1.218 50 L CA -0.470 54.270 54.840 -0.167 0.000 0.878 50 L CB 0.529 42.392 42.059 -0.326 0.000 1.127 50 L HN 0.323 nan 8.230 nan 0.000 0.492 51 L N 4.969 126.041 121.223 -0.253 0.000 2.410 51 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 51 L C 0.549 177.278 176.870 -0.236 0.000 1.144 51 L CA 0.718 55.436 54.840 -0.203 0.000 0.863 51 L CB 0.344 42.267 42.059 -0.227 0.000 1.140 51 L HN 0.750 nan 8.230 nan 0.000 0.463 52 E N 4.010 124.148 120.200 -0.104 0.000 2.423 52 E HA 0.224 4.574 4.350 -0.000 0.000 0.198 52 E C 0.563 177.141 176.600 -0.037 0.000 1.038 52 E CA -0.170 56.189 56.400 -0.068 0.000 1.011 52 E CB 0.298 30.049 29.700 0.085 0.000 1.118 52 E HN 0.911 nan 8.360 nan 0.000 0.451 53 G N 0.783 109.542 108.800 -0.069 0.000 2.606 53 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.252 53 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.252 53 G C 0.605 175.475 174.900 -0.049 0.000 1.206 53 G CA -0.378 44.702 45.100 -0.033 0.000 0.861 53 G HN 0.144 nan 8.290 nan 0.000 0.561 54 E N -0.028 120.158 120.200 -0.022 0.000 2.097 54 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 54 E C 1.752 178.350 176.600 -0.004 0.000 1.000 54 E CA 1.451 57.844 56.400 -0.011 0.000 0.804 54 E CB 0.033 29.730 29.700 -0.005 0.000 0.740 54 E HN 0.480 nan 8.360 nan 0.000 0.454 55 D N 0.190 120.585 120.400 -0.008 0.000 2.116 55 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 55 D C 2.024 178.376 176.300 0.086 0.000 0.998 55 D CA 0.938 54.989 54.000 0.085 0.000 0.836 55 D CB -0.240 40.629 40.800 0.116 0.000 0.951 55 D HN 0.022 nan 8.370 nan 0.000 0.449 56 V N 1.120 120.926 119.914 -0.181 0.000 2.358 56 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 56 V C 2.361 178.454 176.094 -0.002 0.000 1.047 56 V CA 0.806 62.931 62.300 -0.291 0.000 1.035 56 V CB -0.245 31.266 31.823 -0.519 0.000 0.658 56 V HN 0.185 nan 8.190 nan 0.000 0.452 57 I N 0.906 121.469 120.570 -0.012 0.000 2.264 57 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 57 I C 2.306 178.441 176.117 0.029 0.000 1.111 57 I CA 1.488 62.811 61.300 0.038 0.000 1.382 57 I CB -1.528 36.479 38.000 0.011 0.000 1.060 57 I HN 0.390 nan 8.210 nan 0.000 0.418 58 N N 0.534 119.252 118.700 0.031 0.000 2.166 58 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 58 N C 1.836 177.323 175.510 -0.039 0.000 1.019 58 N CA 1.644 54.675 53.050 -0.032 0.000 0.856 58 N CB -0.439 38.044 38.487 -0.005 0.000 0.993 58 N HN 0.343 nan 8.380 nan 0.000 0.426 59 T N 0.048 114.712 114.554 0.182 0.000 2.746 59 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 59 T C 1.894 176.659 174.700 0.109 0.000 1.039 59 T CA 1.366 63.636 62.100 0.284 0.000 1.142 59 T CB -0.619 68.540 68.868 0.486 0.000 0.866 59 T HN 0.383 nan 8.240 nan 0.000 0.444 60 G N 1.674 110.514 108.800 0.067 0.000 2.440 60 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 60 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 60 G C 1.593 176.317 174.900 -0.293 0.000 1.154 60 G CA 0.715 45.558 45.100 -0.428 0.000 0.767 60 G HN 0.437 nan 8.290 nan 0.000 0.552 61 K N 0.547 120.836 120.400 -0.186 0.000 2.148 61 K HA 0.101 4.421 4.320 -0.000 0.000 0.204 61 K C 2.882 179.366 176.600 -0.194 0.000 1.050 61 K CA 0.842 57.024 56.287 -0.175 0.000 0.942 61 K CB -0.144 32.264 32.500 -0.155 0.000 0.724 61 K HN 0.283 nan 8.250 nan 0.000 0.446 62 A N 1.099 123.787 122.820 -0.219 0.000 1.898 62 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 62 A C 2.071 179.592 177.584 -0.106 0.000 1.181 62 A CA 1.211 53.123 52.037 -0.209 0.000 0.620 62 A CB -0.256 18.613 19.000 -0.219 0.000 0.819 62 A HN 0.096 nan 8.150 nan 0.000 0.442 63 M N -0.341 119.209 119.600 -0.084 0.000 2.175 63 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 63 M C 2.177 178.417 176.300 -0.100 0.000 1.063 63 M CA 1.333 56.590 55.300 -0.071 0.000 1.119 63 M CB -1.564 30.988 32.600 -0.079 0.000 1.377 63 M HN 0.529 nan 8.290 nan 0.000 0.415 64 Q N -0.104 119.615 119.800 -0.136 0.000 2.124 64 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 64 Q C 2.131 178.067 176.000 -0.106 0.000 0.977 64 Q CA 1.669 57.402 55.803 -0.116 0.000 0.850 64 Q CB -0.335 28.330 28.738 -0.121 0.000 0.901 64 Q HN 0.579 nan 8.270 nan 0.000 0.429 65 A N 0.394 123.140 122.820 -0.123 0.000 2.070 65 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 65 A C 1.704 179.205 177.584 -0.138 0.000 1.159 65 A CA 1.112 53.070 52.037 -0.132 0.000 0.656 65 A CB -0.216 18.691 19.000 -0.156 0.000 0.800 65 A HN 0.305 nan 8.150 nan 0.000 0.453 66 M N -1.647 117.881 119.600 -0.120 0.000 2.404 66 M HA 0.268 4.748 4.480 -0.000 0.000 0.271 66 M C 1.134 177.377 176.300 -0.094 0.000 1.128 66 M CA 0.671 55.895 55.300 -0.127 0.000 0.982 66 M CB 0.768 33.309 32.600 -0.098 0.000 1.445 66 M HN 0.550 nan 8.290 nan 0.000 0.495 67 G N 0.502 109.255 108.800 -0.080 0.000 2.201 67 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.212 67 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.212 67 G C 0.160 175.041 174.900 -0.030 0.000 0.994 67 G CA -0.124 44.945 45.100 -0.051 0.000 0.644 67 G HN 0.614 nan 8.290 nan 0.000 0.508 68 A N 0.351 123.150 122.820 -0.035 0.000 2.340 68 A HA 0.788 5.108 4.320 -0.000 0.000 0.268 68 A C 0.557 178.122 177.584 -0.032 0.000 1.100 68 A CA -0.013 52.012 52.037 -0.020 0.000 0.803 68 A CB 0.374 19.359 19.000 -0.024 0.000 1.043 68 A HN 0.477 nan 8.150 nan 0.000 0.488 69 R N 0.959 121.453 120.500 -0.009 0.000 2.338 69 R HA 0.619 4.959 4.340 -0.000 0.000 0.317 69 R C -1.202 175.101 176.300 0.004 0.000 0.968 69 R CA -0.137 55.959 56.100 -0.008 0.000 0.849 69 R CB 1.375 31.679 30.300 0.006 0.000 1.128 69 R HN 0.658 nan 8.270 nan 0.000 0.448 70 I N 3.545 124.113 120.570 -0.004 0.000 2.545 70 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 70 I C -0.176 176.015 176.117 0.123 0.000 1.040 70 I CA -0.911 60.417 61.300 0.046 0.000 1.068 70 I CB 1.872 39.803 38.000 -0.115 0.000 1.251 70 I HN 0.623 nan 8.210 nan 0.000 0.424 71 R N 4.081 124.686 120.500 0.176 0.000 2.710 71 R HA 0.568 4.908 4.340 -0.000 0.000 0.270 71 R C -1.727 174.481 176.300 -0.154 0.000 1.021 71 R CA -1.155 54.966 56.100 0.035 0.000 0.889 71 R CB 2.172 32.464 30.300 -0.013 0.000 1.243 71 R HN 0.445 nan 8.270 nan 0.000 0.464 72 K N 1.565 121.660 120.400 -0.509 0.000 2.339 72 K HA 0.178 4.498 4.320 -0.000 0.000 0.264 72 K C -1.279 175.063 176.600 -0.430 0.000 0.986 72 K CA -0.406 55.363 56.287 -0.863 0.000 0.866 72 K CB 1.681 33.269 32.500 -1.520 0.000 1.103 72 K HN 0.704 nan 8.250 nan 0.000 0.441 73 E N 3.792 123.813 120.200 -0.299 0.000 2.102 73 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 73 E C 0.231 176.739 176.600 -0.152 0.000 0.894 73 E CA -0.035 56.262 56.400 -0.171 0.000 0.746 73 E CB 0.900 30.540 29.700 -0.100 0.000 1.129 73 E HN 0.910 nan 8.360 nan 0.000 0.416 74 G N 4.906 113.625 108.800 -0.135 0.000 2.561 74 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.289 74 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.289 74 G C 0.287 175.114 174.900 -0.121 0.000 1.169 74 G CA 0.322 45.363 45.100 -0.099 0.000 0.980 74 G HN 0.681 nan 8.290 nan 0.000 0.550 75 D N 1.501 121.854 120.400 -0.078 0.000 2.388 75 D HA 0.301 4.941 4.640 -0.000 0.000 0.221 75 D C 0.478 176.754 176.300 -0.041 0.000 1.133 75 D CA 0.816 54.783 54.000 -0.055 0.000 0.831 75 D CB 0.367 41.163 40.800 -0.006 0.000 0.962 75 D HN 0.327 nan 8.370 nan 0.000 0.502 76 T N 0.364 114.865 114.554 -0.089 0.000 2.792 76 T HA 0.269 4.619 4.350 -0.000 0.000 0.280 76 T C -0.420 174.236 174.700 -0.073 0.000 0.990 76 T CA -0.589 61.503 62.100 -0.014 0.000 0.960 76 T CB 1.262 70.137 68.868 0.011 0.000 0.939 76 T HN -0.033 nan 8.240 nan 0.000 0.439 77 W N 3.253 124.600 121.300 0.078 0.000 2.322 77 W HA 0.581 5.241 4.660 -0.000 0.000 0.307 77 W C -0.150 176.445 176.519 0.126 0.000 1.220 77 W CA -0.696 56.729 57.345 0.133 0.000 1.210 77 W CB 0.446 30.045 29.460 0.232 0.000 1.223 77 W HN 0.421 nan 8.180 nan 0.000 0.511 78 I N 5.549 126.279 120.570 0.267 0.000 2.406 78 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 78 I C -0.276 175.962 176.117 0.202 0.000 0.999 78 I CA -0.881 60.532 61.300 0.188 0.000 1.124 78 I CB 1.024 39.078 38.000 0.089 0.000 1.289 78 I HN 0.144 nan 8.210 nan 0.000 0.441 79 I N 4.877 125.563 120.570 0.194 0.000 2.465 79 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 79 I C -0.910 175.282 176.117 0.124 0.000 1.014 79 I CA -0.692 60.703 61.300 0.158 0.000 1.093 79 I CB 1.983 40.100 38.000 0.194 0.000 1.267 79 I HN 0.438 nan 8.210 nan 0.000 0.431 80 D N 5.942 126.394 120.400 0.087 0.000 2.412 80 D HA 0.298 4.938 4.640 -0.000 0.000 0.224 80 D C 0.278 176.623 176.300 0.075 0.000 1.093 80 D CA -0.007 54.038 54.000 0.076 0.000 0.850 80 D CB 2.120 42.951 40.800 0.052 0.000 1.046 80 D HN 0.708 nan 8.370 nan 0.000 0.507 81 G N 0.160 109.019 108.800 0.099 0.000 2.572 81 G HA2 0.300 4.260 3.960 -0.000 0.000 0.261 81 G HA3 0.300 4.260 3.960 -0.000 0.000 0.261 81 G C 1.242 176.190 174.900 0.080 0.000 1.197 81 G CA -0.571 44.589 45.100 0.100 0.000 0.870 81 G HN 0.317 nan 8.290 nan 0.000 0.548 82 V N -1.674 118.286 119.914 0.076 0.000 3.506 82 V HA 0.557 4.677 4.120 -0.000 0.000 0.263 82 V C 1.136 177.282 176.094 0.086 0.000 1.203 82 V CA 0.588 62.930 62.300 0.070 0.000 1.133 82 V CB -1.087 30.773 31.823 0.060 0.000 0.802 82 V HN 2.162 nan 8.190 nan 0.000 0.459 83 G N 1.155 110.014 108.800 0.098 0.000 2.721 83 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 83 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 83 G C -0.572 174.396 174.900 0.112 0.000 1.236 83 G CA -0.177 44.982 45.100 0.099 0.000 0.786 83 G HN 0.757 nan 8.290 nan 0.000 0.616 84 N N 0.775 119.535 118.700 0.100 0.000 2.357 84 N HA 0.453 5.193 4.740 -0.000 0.000 0.257 84 N C 1.690 177.275 175.510 0.125 0.000 1.250 84 N CA 2.098 55.212 53.050 0.106 0.000 0.862 84 N CB 0.515 39.038 38.487 0.060 0.000 1.066 84 N HN 2.224 nan 8.380 nan 0.000 0.468 85 G N 1.736 110.659 108.800 0.205 0.000 2.176 85 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.253 85 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.253 85 G C 0.761 175.861 174.900 0.333 0.000 0.979 85 G CA 0.452 45.667 45.100 0.192 0.000 0.641 85 G HN 0.869 nan 8.290 nan 0.000 0.530 86 G N -0.109 108.863 108.800 0.286 0.000 3.189 86 G HA2 0.505 4.465 3.960 -0.000 0.000 0.225 86 G HA3 0.505 4.465 3.960 -0.000 0.000 0.225 86 G C 0.744 175.748 174.900 0.173 0.000 1.159 86 G CA -0.141 45.088 45.100 0.214 0.000 0.763 86 G HN 0.549 nan 8.290 nan 0.000 0.549 87 L N 1.105 122.412 121.223 0.139 0.000 2.485 87 L HA 0.249 4.589 4.340 -0.000 0.000 0.275 87 L C 0.177 177.070 176.870 0.037 0.000 1.207 87 L CA -0.031 54.774 54.840 -0.057 0.000 0.855 87 L CB 0.873 42.685 42.059 -0.411 0.000 1.114 87 L HN -0.009 nan 8.230 nan 0.000 0.485 88 L N 2.560 123.729 121.223 -0.091 0.000 2.334 88 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 88 L C 0.457 176.926 176.870 -0.669 0.000 1.036 88 L CA -0.810 53.890 54.840 -0.234 0.000 0.807 88 L CB 1.498 43.461 42.059 -0.160 0.000 1.231 88 L HN 0.672 nan 8.230 nan 0.000 0.438 89 A N 3.907 126.047 122.820 -1.133 0.000 2.545 89 A HA 0.325 4.645 4.320 -0.000 0.000 0.253 89 A C -2.080 175.123 177.584 -0.636 0.000 1.074 89 A CA -0.769 50.364 52.037 -1.506 0.000 0.760 89 A CB -0.819 17.565 19.000 -1.027 0.000 1.005 89 A HN 0.446 nan 8.150 nan 0.000 0.506 90 P HA 0.142 nan 4.420 nan 0.000 0.275 90 P C 0.138 177.318 177.300 -0.199 0.000 1.227 90 P CA -0.111 62.833 63.100 -0.260 0.000 0.781 90 P CB 0.936 32.513 31.700 -0.205 0.000 0.906 91 E N 0.954 121.059 120.200 -0.157 0.000 2.152 91 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 91 E C 0.783 177.324 176.600 -0.097 0.000 0.983 91 E CA 0.740 57.070 56.400 -0.116 0.000 0.818 91 E CB 0.175 29.817 29.700 -0.097 0.000 0.758 91 E HN 0.586 nan 8.360 nan 0.000 0.467 92 A N 1.042 123.797 122.820 -0.109 0.000 2.486 92 A HA 0.551 4.871 4.320 -0.000 0.000 0.289 92 A C -2.637 174.875 177.584 -0.120 0.000 1.176 92 A CA -1.488 50.492 52.037 -0.095 0.000 0.757 92 A CB 0.596 19.544 19.000 -0.086 0.000 1.337 92 A HN -0.180 nan 8.150 nan 0.000 0.423 93 P HA 0.279 nan 4.420 nan 0.000 0.267 93 P C -1.044 176.141 177.300 -0.191 0.000 1.200 93 P CA 0.197 63.218 63.100 -0.131 0.000 0.772 93 P CB 0.246 31.903 31.700 -0.071 0.000 0.855 94 L N 2.745 123.801 121.223 -0.278 0.000 2.261 94 L HA 0.231 4.571 4.340 -0.000 0.000 0.289 94 L C 0.553 177.222 176.870 -0.335 0.000 1.059 94 L CA -0.333 54.280 54.840 -0.378 0.000 0.816 94 L CB 0.309 42.111 42.059 -0.429 0.000 1.191 94 L HN 0.301 nan 8.230 nan 0.000 0.431 95 D N 3.012 123.187 120.400 -0.376 0.000 2.380 95 D HA 0.147 4.787 4.640 -0.000 0.000 0.230 95 D C 0.219 176.302 176.300 -0.361 0.000 1.154 95 D CA -0.145 53.716 54.000 -0.231 0.000 0.859 95 D CB 0.715 41.425 40.800 -0.149 0.000 1.045 95 D HN 0.251 nan 8.370 nan 0.000 0.495 96 F N 2.167 122.138 119.950 0.034 0.000 2.765 96 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 96 F C 2.098 177.922 175.800 0.041 0.000 1.111 96 F CA 0.313 58.343 58.000 0.049 0.000 1.359 96 F CB 0.218 39.266 39.000 0.080 0.000 1.097 96 F HN 0.618 nan 8.300 nan 0.000 0.577 97 G N 1.402 110.274 108.800 0.119 0.000 2.672 97 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.332 97 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.332 97 G C 1.224 176.185 174.900 0.102 0.000 1.213 97 G CA 0.796 45.946 45.100 0.083 0.000 0.980 97 G HN 0.401 nan 8.290 nan 0.000 0.548 98 N N 2.046 120.795 118.700 0.082 0.000 2.280 98 N HA 0.332 5.072 4.740 -0.000 0.000 0.192 98 N C 0.961 176.516 175.510 0.076 0.000 1.109 98 N CA 0.726 53.815 53.050 0.065 0.000 0.855 98 N CB -0.003 38.496 38.487 0.019 0.000 0.974 98 N HN 0.829 nan 8.380 nan 0.000 0.482 99 A N 0.634 123.529 122.820 0.125 0.000 2.527 99 A HA 0.540 4.860 4.320 -0.000 0.000 0.313 99 A C 1.144 178.741 177.584 0.021 0.000 1.410 99 A CA -0.278 51.826 52.037 0.112 0.000 1.060 99 A CB 0.364 19.499 19.000 0.225 0.000 1.137 99 A HN 0.303 nan 8.150 nan 0.000 0.542 100 A N 2.502 125.308 122.820 -0.022 0.000 1.930 100 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 100 A C 2.154 179.623 177.584 -0.191 0.000 1.175 100 A CA 2.338 54.323 52.037 -0.087 0.000 0.627 100 A CB -0.760 18.215 19.000 -0.043 0.000 0.815 100 A HN 0.610 nan 8.150 nan 0.000 0.443 101 T N -0.103 114.315 114.554 -0.226 0.000 2.652 101 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 101 T C 1.992 176.405 174.700 -0.478 0.000 1.039 101 T CA 1.656 63.543 62.100 -0.354 0.000 1.153 101 T CB -0.714 67.865 68.868 -0.482 0.000 0.863 101 T HN 0.579 nan 8.240 nan 0.000 0.428 102 G N -0.091 108.368 108.800 -0.569 0.000 2.421 102 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 102 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 102 G C 2.013 176.379 174.900 -0.890 0.000 1.171 102 G CA 1.033 45.901 45.100 -0.386 0.000 0.775 102 G HN 0.586 nan 8.290 nan 0.000 0.543 103 C N 0.499 119.162 119.300 -1.061 0.000 2.436 103 C HA 0.052 4.512 4.460 -0.000 0.000 0.277 103 C C 3.029 177.645 174.990 -0.624 0.000 1.241 103 C CA 1.277 59.606 59.018 -1.148 0.000 1.721 103 C CB -0.879 26.570 27.740 -0.485 0.000 2.043 103 C HN 0.481 nan 8.230 nan 0.000 0.472 104 R N -0.210 120.042 120.500 -0.413 0.000 2.075 104 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 104 R C 1.973 178.118 176.300 -0.258 0.000 1.126 104 R CA 1.275 57.190 56.100 -0.308 0.000 0.963 104 R CB -0.479 29.696 30.300 -0.208 0.000 0.858 104 R HN 0.412 nan 8.270 nan 0.000 0.435 105 L N 0.089 121.176 121.223 -0.227 0.000 2.093 105 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 105 L C 2.246 179.069 176.870 -0.078 0.000 1.085 105 L CA 1.744 56.510 54.840 -0.123 0.000 0.755 105 L CB -0.625 41.379 42.059 -0.092 0.000 0.904 105 L HN 0.119 nan 8.230 nan 0.000 0.435 106 T N -1.170 113.319 114.554 -0.108 0.000 2.867 106 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 106 T C 1.952 176.726 174.700 0.124 0.000 1.057 106 T CA 1.045 63.202 62.100 0.095 0.000 1.136 106 T CB -0.156 68.872 68.868 0.267 0.000 0.874 106 T HN 0.203 nan 8.240 nan 0.000 0.466 107 M N 0.918 120.387 119.600 -0.218 0.000 2.080 107 M HA -0.039 4.441 4.480 -0.000 0.000 0.260 107 M C 2.747 178.952 176.300 -0.157 0.000 1.068 107 M CA 1.808 56.827 55.300 -0.468 0.000 1.109 107 M CB -0.668 31.512 32.600 -0.699 0.000 1.342 107 M HN 0.388 nan 8.290 nan 0.000 0.405 108 G N 0.086 108.815 108.800 -0.119 0.000 2.402 108 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 108 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 108 G C 1.402 176.318 174.900 0.027 0.000 1.162 108 G CA 0.476 45.541 45.100 -0.059 0.000 0.777 108 G HN 0.316 nan 8.290 nan 0.000 0.539 109 L N 1.263 122.529 121.223 0.072 0.000 1.994 109 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 109 L C 2.767 179.762 176.870 0.208 0.000 1.071 109 L CA 2.501 57.426 54.840 0.143 0.000 0.745 109 L CB -0.302 41.846 42.059 0.149 0.000 0.892 109 L HN 0.229 nan 8.230 nan 0.000 0.431 110 V N -3.915 116.113 119.914 0.190 0.000 3.644 110 V HA 0.375 4.495 4.120 -0.000 0.000 0.267 110 V C 2.144 178.337 176.094 0.166 0.000 1.277 110 V CA 0.627 63.028 62.300 0.168 0.000 1.096 110 V CB -0.882 31.034 31.823 0.155 0.000 0.828 110 V HN 0.341 nan 8.190 nan 0.000 0.446 111 G N 1.756 110.641 108.800 0.141 0.000 2.462 111 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 111 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 111 G C 1.422 176.328 174.900 0.010 0.000 1.121 111 G CA 1.689 46.828 45.100 0.066 0.000 0.758 111 G HN 1.014 nan 8.290 nan 0.000 0.559 112 V N -3.196 116.733 119.914 0.026 0.000 3.573 112 V HA 0.335 4.455 4.120 -0.000 0.000 0.270 112 V C 0.603 176.601 176.094 -0.161 0.000 1.221 112 V CA -0.683 61.580 62.300 -0.061 0.000 1.163 112 V CB -1.231 30.541 31.823 -0.084 0.000 0.847 112 V HN 0.150 nan 8.190 nan 0.000 0.468 113 Y N 0.748 120.851 120.300 -0.328 0.000 2.320 113 Y HA 0.496 5.046 4.550 -0.000 0.000 0.324 113 Y C 0.839 176.393 175.900 -0.576 0.000 1.190 113 Y CA -0.853 56.920 58.100 -0.544 0.000 1.215 113 Y CB 0.894 38.723 38.460 -1.051 0.000 1.221 113 Y HN 0.050 nan 8.280 nan 0.000 0.486 114 D N 3.657 123.907 120.400 -0.249 0.000 2.885 114 D HA 0.116 4.756 4.640 -0.000 0.000 0.234 114 D C -1.382 174.949 176.300 0.051 0.000 1.129 114 D CA 0.279 54.224 54.000 -0.092 0.000 0.991 114 D CB -1.210 39.578 40.800 -0.021 0.000 1.137 114 D HN 0.298 nan 8.370 nan 0.000 0.459 115 F N -1.776 118.242 119.950 0.112 0.000 2.741 115 F HA 0.474 5.001 4.527 -0.000 0.000 0.313 115 F C -0.838 175.008 175.800 0.077 0.000 1.153 115 F CA -1.647 56.401 58.000 0.080 0.000 0.931 115 F CB 0.389 39.431 39.000 0.071 0.000 1.335 115 F HN -0.346 nan 8.300 nan 0.000 0.460 116 D N 1.281 121.929 120.400 0.412 0.000 2.302 116 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 116 D C -0.582 175.914 176.300 0.328 0.000 1.094 116 D CA 0.106 54.273 54.000 0.279 0.000 0.897 116 D CB 1.605 42.499 40.800 0.157 0.000 1.200 116 D HN 0.804 nan 8.370 nan 0.000 0.429 117 S N -0.060 115.796 115.700 0.260 0.000 2.571 117 S HA 0.657 5.127 4.470 -0.000 0.000 0.284 117 S C -0.577 174.089 174.600 0.110 0.000 1.128 117 S CA -0.833 57.465 58.200 0.164 0.000 0.970 117 S CB 1.640 64.995 63.200 0.258 0.000 1.039 117 S HN 0.173 nan 8.310 nan 0.000 0.485 118 T N 3.175 117.673 114.554 -0.095 0.000 2.829 118 T HA 0.660 5.010 4.350 -0.000 0.000 0.280 118 T C -1.347 173.215 174.700 -0.231 0.000 0.999 118 T CA -0.291 61.805 62.100 -0.007 0.000 0.983 118 T CB 0.381 69.257 68.868 0.014 0.000 0.968 118 T HN 0.527 nan 8.240 nan 0.000 0.446 119 F N 3.620 123.636 119.950 0.108 0.000 2.467 119 F HA 0.679 5.206 4.527 -0.000 0.000 0.336 119 F C 0.324 176.200 175.800 0.126 0.000 1.123 119 F CA -1.239 56.860 58.000 0.164 0.000 0.964 119 F CB 1.057 40.140 39.000 0.138 0.000 1.136 119 F HN 0.438 nan 8.300 nan 0.000 0.447 120 I N -0.287 120.433 120.570 0.250 0.000 3.145 120 I HA 1.105 5.275 4.170 -0.000 0.000 0.313 120 I C -0.324 175.903 176.117 0.183 0.000 1.122 120 I CA -0.881 60.519 61.300 0.166 0.000 0.987 120 I CB 2.425 40.471 38.000 0.077 0.000 1.236 120 I HN 0.647 nan 8.210 nan 0.000 0.453 121 G N 1.383 110.260 108.800 0.129 0.000 2.554 121 G HA2 0.433 4.393 3.960 -0.000 0.000 0.306 121 G HA3 0.433 4.393 3.960 -0.000 0.000 0.306 121 G C -1.948 172.999 174.900 0.079 0.000 1.320 121 G CA -0.228 44.946 45.100 0.123 0.000 0.800 121 G HN 0.923 nan 8.290 nan 0.000 0.481 122 D N -0.630 119.813 120.400 0.072 0.000 2.447 122 D HA 0.512 5.152 4.640 -0.000 0.000 0.265 122 D C 1.740 178.071 176.300 0.052 0.000 1.250 122 D CA 0.366 54.398 54.000 0.053 0.000 1.046 122 D CB 0.545 41.373 40.800 0.046 0.000 1.095 122 D HN 0.677 nan 8.370 nan 0.000 0.555 123 A N -0.338 122.509 122.820 0.044 0.000 1.978 123 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 123 A C 2.193 179.807 177.584 0.050 0.000 1.170 123 A CA 2.487 54.551 52.037 0.044 0.000 0.636 123 A CB -1.130 17.895 19.000 0.041 0.000 0.810 123 A HN 0.550 nan 8.150 nan 0.000 0.448 124 S N -0.896 114.838 115.700 0.056 0.000 2.357 124 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 124 S C 1.924 176.557 174.600 0.056 0.000 1.031 124 S CA 1.328 59.565 58.200 0.062 0.000 0.982 124 S CB -0.414 62.830 63.200 0.074 0.000 0.853 124 S HN 0.449 nan 8.310 nan 0.000 0.458 125 L N 1.897 123.156 121.223 0.060 0.000 2.141 125 L HA 0.049 4.389 4.340 -0.000 0.000 0.209 125 L C 2.306 179.206 176.870 0.050 0.000 1.094 125 L CA 2.101 56.976 54.840 0.058 0.000 0.763 125 L CB -1.258 40.848 42.059 0.078 0.000 0.908 125 L HN 0.315 nan 8.230 nan 0.000 0.437 126 T N -0.849 113.737 114.554 0.054 0.000 3.007 126 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 126 T C 1.659 176.379 174.700 0.034 0.000 1.107 126 T CA 1.178 63.306 62.100 0.048 0.000 1.118 126 T CB -0.122 68.775 68.868 0.049 0.000 0.889 126 T HN 0.374 nan 8.240 nan 0.000 0.506 127 K N 0.252 120.671 120.400 0.031 0.000 2.361 127 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 127 K C 0.713 177.321 176.600 0.014 0.000 1.032 127 K CA -0.002 56.298 56.287 0.021 0.000 1.048 127 K CB 0.459 32.972 32.500 0.022 0.000 0.842 127 K HN 0.214 nan 8.250 nan 0.000 0.526 128 R N 2.148 122.657 120.500 0.015 0.000 2.490 128 R HA 0.134 4.474 4.340 -0.000 0.000 0.278 128 R C -2.435 173.862 176.300 -0.005 0.000 1.069 128 R CA -1.806 54.298 56.100 0.006 0.000 1.080 128 R CB 0.111 30.417 30.300 0.009 0.000 1.030 128 R HN -0.050 nan 8.270 nan 0.000 0.491 129 P HA 0.011 nan 4.420 nan 0.000 0.276 129 P C -0.256 177.024 177.300 -0.034 0.000 1.243 129 P CA 0.167 63.256 63.100 -0.018 0.000 0.768 129 P CB 0.900 32.592 31.700 -0.014 0.000 0.856 130 M N 2.104 121.678 119.600 -0.043 0.000 2.337 130 M HA 0.118 4.598 4.480 -0.000 0.000 0.256 130 M C 2.059 178.315 176.300 -0.072 0.000 1.075 130 M CA 0.398 55.655 55.300 -0.073 0.000 1.024 130 M CB -1.011 31.534 32.600 -0.091 0.000 1.429 130 M HN 0.431 nan 8.290 nan 0.000 0.497 131 G N 2.262 111.034 108.800 -0.046 0.000 2.475 131 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 131 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 131 G C 1.611 176.490 174.900 -0.036 0.000 1.125 131 G CA 1.032 46.109 45.100 -0.038 0.000 0.755 131 G HN 0.602 nan 8.290 nan 0.000 0.565 132 R N 0.392 120.876 120.500 -0.028 0.000 2.159 132 R HA -0.029 4.311 4.340 -0.000 0.000 0.237 132 R C 2.223 178.493 176.300 -0.050 0.000 1.131 132 R CA 1.809 57.905 56.100 -0.007 0.000 0.982 132 R CB -0.723 29.579 30.300 0.003 0.000 0.868 132 R HN 0.500 nan 8.270 nan 0.000 0.453 133 V N -2.009 117.846 119.914 -0.097 0.000 2.922 133 V HA 0.127 4.247 4.120 -0.000 0.000 0.242 133 V C 2.105 178.095 176.094 -0.173 0.000 1.094 133 V CA 0.214 62.423 62.300 -0.152 0.000 1.106 133 V CB -0.459 31.264 31.823 -0.166 0.000 0.799 133 V HN 0.130 nan 8.190 nan 0.000 0.474 134 L N 0.903 122.042 121.223 -0.141 0.000 2.201 134 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 134 L C 2.624 179.426 176.870 -0.113 0.000 1.105 134 L CA 1.465 56.227 54.840 -0.129 0.000 0.775 134 L CB -0.856 41.142 42.059 -0.101 0.000 0.913 134 L HN 0.343 nan 8.230 nan 0.000 0.440 135 N N 0.109 118.750 118.700 -0.099 0.000 2.058 135 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 135 N C -0.720 174.707 175.510 -0.138 0.000 1.037 135 N CA 1.462 54.469 53.050 -0.073 0.000 0.848 135 N CB -1.329 37.155 38.487 -0.004 0.000 1.021 135 N HN 0.244 nan 8.380 nan 0.000 0.422 136 P HA -0.066 nan 4.420 nan 0.000 0.218 136 P C 1.597 178.743 177.300 -0.257 0.000 1.149 136 P CA 0.900 63.722 63.100 -0.464 0.000 0.817 136 P CB 0.021 31.110 31.700 -1.018 0.000 0.785 137 L N -0.620 120.479 121.223 -0.206 0.000 2.093 137 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 137 L C 2.942 179.754 176.870 -0.098 0.000 1.085 137 L CA 1.372 56.127 54.840 -0.141 0.000 0.755 137 L CB -0.711 41.269 42.059 -0.132 0.000 0.904 137 L HN -0.100 nan 8.230 nan 0.000 0.435 138 R N -0.071 120.377 120.500 -0.086 0.000 2.096 138 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 138 R C 2.186 178.459 176.300 -0.045 0.000 1.127 138 R CA 1.350 57.417 56.100 -0.054 0.000 0.968 138 R CB -0.231 30.045 30.300 -0.040 0.000 0.861 138 R HN 0.399 nan 8.270 nan 0.000 0.440 139 E N 0.654 120.823 120.200 -0.052 0.000 2.150 139 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 139 E C 1.626 178.204 176.600 -0.037 0.000 0.985 139 E CA 0.917 57.299 56.400 -0.030 0.000 0.814 139 E CB 0.123 29.817 29.700 -0.010 0.000 0.752 139 E HN 0.286 nan 8.360 nan 0.000 0.466 140 M N -1.054 118.510 119.600 -0.059 0.000 2.659 140 M HA 0.080 4.560 4.480 -0.000 0.000 0.243 140 M C 1.155 177.425 176.300 -0.050 0.000 1.111 140 M CA 0.902 56.168 55.300 -0.057 0.000 1.070 140 M CB 0.809 33.364 32.600 -0.075 0.000 1.525 140 M HN 0.341 nan 8.290 nan 0.000 0.517 141 G N 0.281 109.054 108.800 -0.044 0.000 2.163 141 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.213 141 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.213 141 G C 0.017 174.895 174.900 -0.037 0.000 0.991 141 G CA -0.384 44.694 45.100 -0.037 0.000 0.653 141 G HN 0.275 nan 8.290 nan 0.000 0.518 142 V N 1.429 121.317 119.914 -0.043 0.000 2.614 142 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 142 V C 0.794 176.874 176.094 -0.024 0.000 1.049 142 V CA 0.059 62.337 62.300 -0.036 0.000 1.038 142 V CB 1.520 33.315 31.823 -0.046 0.000 0.980 142 V HN 0.433 nan 8.190 nan 0.000 0.481 143 Q N 2.875 122.669 119.800 -0.009 0.000 2.274 143 Q HA 0.511 4.851 4.340 -0.000 0.000 0.256 143 Q C -1.015 174.990 176.000 0.008 0.000 0.927 143 Q CA -0.380 55.423 55.803 0.000 0.000 0.939 143 Q CB 1.913 30.657 28.738 0.010 0.000 1.201 143 Q HN 0.599 nan 8.270 nan 0.000 0.426 144 V N 3.526 123.441 119.914 0.002 0.000 2.448 144 V HA 0.346 4.466 4.120 -0.000 0.000 0.295 144 V C -0.460 175.642 176.094 0.014 0.000 1.025 144 V CA -0.773 61.529 62.300 0.004 0.000 0.859 144 V CB 1.636 33.448 31.823 -0.019 0.000 0.988 144 V HN 0.656 nan 8.190 nan 0.000 0.431 145 K N 3.548 123.965 120.400 0.030 0.000 2.507 145 K HA 0.643 4.963 4.320 -0.000 0.000 0.253 145 K C -0.389 176.233 176.600 0.036 0.000 0.969 145 K CA -0.249 56.057 56.287 0.032 0.000 0.908 145 K CB 1.830 34.356 32.500 0.042 0.000 1.127 145 K HN 0.854 nan 8.250 nan 0.000 0.437 146 S N 1.394 117.108 115.700 0.023 0.000 2.667 146 S HA 0.466 4.936 4.470 -0.000 0.000 0.292 146 S C -0.411 174.202 174.600 0.021 0.000 1.126 146 S CA -1.094 57.120 58.200 0.023 0.000 0.881 146 S CB 1.801 65.003 63.200 0.005 0.000 1.132 146 S HN 0.283 nan 8.310 nan 0.000 0.492 147 E N 1.159 121.372 120.200 0.022 0.000 2.345 147 E HA 0.281 4.631 4.350 -0.000 0.000 0.259 147 E C -0.666 175.941 176.600 0.012 0.000 1.117 147 E CA -0.438 55.973 56.400 0.019 0.000 0.913 147 E CB 0.288 30.001 29.700 0.023 0.000 1.057 147 E HN 0.612 nan 8.360 nan 0.000 0.432 148 D N 0.106 120.512 120.400 0.010 0.000 2.583 148 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 148 D C 1.103 177.406 176.300 0.004 0.000 1.128 148 D CA 1.512 55.516 54.000 0.007 0.000 0.859 148 D CB 0.303 41.107 40.800 0.006 0.000 1.169 148 D HN 0.670 nan 8.370 nan 0.000 0.481 149 G N 2.219 111.020 108.800 0.001 0.000 2.157 149 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 149 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 149 G C 0.167 175.063 174.900 -0.005 0.000 0.979 149 G CA 0.095 45.194 45.100 -0.002 0.000 0.650 149 G HN 0.665 nan 8.290 nan 0.000 0.529 150 D N -1.377 119.020 120.400 -0.006 0.000 2.746 150 D HA -0.124 4.516 4.640 -0.000 0.000 0.241 150 D C 0.763 177.055 176.300 -0.014 0.000 1.140 150 D CA 1.637 55.629 54.000 -0.013 0.000 0.707 150 D CB -0.321 40.465 40.800 -0.023 0.000 1.034 150 D HN 0.748 nan 8.370 nan 0.000 0.423 151 R N -0.465 120.034 120.500 -0.002 0.000 2.873 151 R HA 0.674 5.014 4.340 -0.000 0.000 0.264 151 R C 0.210 176.522 176.300 0.020 0.000 1.026 151 R CA -0.775 55.328 56.100 0.006 0.000 1.002 151 R CB 0.843 31.151 30.300 0.012 0.000 1.174 151 R HN 0.086 nan 8.270 nan 0.000 0.488 152 L N 2.529 123.772 121.223 0.034 0.000 2.467 152 L HA 0.273 4.613 4.340 -0.000 0.000 0.270 152 L C -1.771 175.134 176.870 0.058 0.000 1.205 152 L CA -1.517 53.361 54.840 0.064 0.000 0.828 152 L CB 0.262 42.374 42.059 0.089 0.000 1.101 152 L HN 0.296 nan 8.230 nan 0.000 0.479 153 P HA 0.186 nan 4.420 nan 0.000 0.274 153 P C -1.058 176.303 177.300 0.102 0.000 1.231 153 P CA -0.188 62.972 63.100 0.099 0.000 0.790 153 P CB 1.111 32.861 31.700 0.082 0.000 0.951 154 V N 2.417 122.426 119.914 0.159 0.000 2.709 154 V HA 0.430 4.550 4.120 -0.000 0.000 0.308 154 V C -0.225 176.014 176.094 0.242 0.000 1.062 154 V CA -0.279 62.109 62.300 0.146 0.000 0.901 154 V CB 2.392 34.260 31.823 0.075 0.000 1.003 154 V HN 0.465 nan 8.190 nan 0.000 0.425 155 T N 6.173 120.830 114.554 0.171 0.000 2.812 155 T HA 0.679 5.029 4.350 -0.000 0.000 0.282 155 T C -0.567 174.230 174.700 0.163 0.000 0.990 155 T CA -0.296 61.919 62.100 0.191 0.000 0.960 155 T CB 0.911 69.852 68.868 0.121 0.000 0.948 155 T HN 0.344 nan 8.240 nan 0.000 0.438 156 L N 2.780 124.134 121.223 0.219 0.000 2.330 156 L HA 0.832 5.172 4.340 -0.000 0.000 0.271 156 L C -0.060 176.889 176.870 0.131 0.000 1.013 156 L CA -1.217 53.711 54.840 0.147 0.000 0.816 156 L CB 1.586 43.743 42.059 0.163 0.000 1.287 156 L HN 0.351 nan 8.230 nan 0.000 0.435 157 R N 1.144 121.687 120.500 0.072 0.000 2.518 157 R HA 0.521 4.861 4.340 -0.000 0.000 0.296 157 R C -0.631 175.673 176.300 0.006 0.000 1.080 157 R CA -0.399 55.733 56.100 0.053 0.000 0.922 157 R CB 1.410 31.744 30.300 0.056 0.000 1.184 157 R HN 0.704 nan 8.270 nan 0.000 0.445 158 G N 4.153 112.932 108.800 -0.035 0.000 2.572 158 G HA2 0.450 4.410 3.960 -0.000 0.000 0.261 158 G HA3 0.450 4.410 3.960 -0.000 0.000 0.261 158 G C -2.306 172.561 174.900 -0.055 0.000 1.197 158 G CA -1.096 43.967 45.100 -0.061 0.000 0.870 158 G HN 0.555 nan 8.290 nan 0.000 0.548 159 P HA 0.185 nan 4.420 nan 0.000 0.278 159 P C 0.434 177.699 177.300 -0.059 0.000 1.266 159 P CA -0.559 62.514 63.100 -0.046 0.000 0.807 159 P CB 1.855 33.529 31.700 -0.044 0.000 1.094 160 K N -0.167 120.208 120.400 -0.042 0.000 2.057 160 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 160 K C -0.029 176.533 176.600 -0.064 0.000 1.049 160 K CA 1.365 57.626 56.287 -0.043 0.000 0.931 160 K CB -0.246 32.239 32.500 -0.024 0.000 0.714 160 K HN 0.426 nan 8.250 nan 0.000 0.440 161 T N 3.145 117.664 114.554 -0.059 0.000 2.930 161 T HA 0.336 4.686 4.350 -0.000 0.000 0.313 161 T C -2.689 171.971 174.700 -0.066 0.000 1.019 161 T CA -1.498 60.562 62.100 -0.066 0.000 1.004 161 T CB 1.909 70.749 68.868 -0.048 0.000 0.987 161 T HN 0.049 nan 8.240 nan 0.000 0.456 162 P HA 0.331 nan 4.420 nan 0.000 0.272 162 P C -0.421 176.844 177.300 -0.058 0.000 1.230 162 P CA -0.386 62.669 63.100 -0.075 0.000 0.788 162 P CB 0.427 32.070 31.700 -0.094 0.000 0.949 163 T N 3.319 117.844 114.554 -0.048 0.000 2.749 163 T HA 0.390 4.740 4.350 -0.000 0.000 0.287 163 T C -2.322 172.357 174.700 -0.034 0.000 0.970 163 T CA -1.371 60.708 62.100 -0.036 0.000 0.980 163 T CB 0.696 69.548 68.868 -0.027 0.000 0.924 163 T HN 0.341 nan 8.240 nan 0.000 0.456 164 P HA 0.411 nan 4.420 nan 0.000 0.275 164 P C -0.571 176.724 177.300 -0.008 0.000 1.228 164 P CA -0.492 62.595 63.100 -0.022 0.000 0.786 164 P CB 0.819 32.507 31.700 -0.020 0.000 0.927 165 I N -1.785 118.786 120.570 0.002 0.000 3.239 165 I HA 0.630 4.800 4.170 -0.000 0.000 0.314 165 I C -0.883 175.265 176.117 0.050 0.000 1.126 165 I CA -0.972 60.345 61.300 0.029 0.000 0.973 165 I CB 2.315 40.340 38.000 0.042 0.000 1.252 165 I HN 0.029 nan 8.210 nan 0.000 0.463 166 T N 2.210 116.807 114.554 0.071 0.000 2.809 166 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 166 T C -1.464 173.312 174.700 0.126 0.000 1.015 166 T CA -0.119 62.024 62.100 0.071 0.000 0.954 166 T CB 0.247 69.134 68.868 0.032 0.000 0.950 166 T HN 0.502 nan 8.240 nan 0.000 0.450 167 Y N 3.051 123.341 120.300 -0.016 0.000 2.331 167 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 167 Y C 0.150 176.041 175.900 -0.015 0.000 0.960 167 Y CA -1.186 56.904 58.100 -0.016 0.000 1.130 167 Y CB 0.954 39.403 38.460 -0.019 0.000 1.164 167 Y HN 0.461 nan 8.280 nan 0.000 0.458 168 R N 5.697 125.890 120.500 -0.512 0.000 2.202 168 R HA 0.458 4.798 4.340 -0.000 0.000 0.334 168 R C -1.400 174.584 176.300 -0.527 0.000 1.036 168 R CA -0.510 55.375 56.100 -0.359 0.000 0.878 168 R CB 0.542 30.692 30.300 -0.250 0.000 1.067 168 R HN 0.577 nan 8.270 nan 0.000 0.457 169 V N 8.186 127.968 119.914 -0.220 0.000 2.485 169 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 169 V C -1.016 175.021 176.094 -0.095 0.000 1.022 169 V CA -0.980 61.275 62.300 -0.075 0.000 1.067 169 V CB 1.119 32.979 31.823 0.061 0.000 0.967 169 V HN 0.856 nan 8.190 nan 0.000 0.479 170 P HA -0.019 nan 4.420 nan 0.000 0.222 170 P C 0.240 177.525 177.300 -0.025 0.000 1.153 170 P CA 1.058 64.122 63.100 -0.059 0.000 0.798 170 P CB 0.376 32.048 31.700 -0.046 0.000 0.796 171 M N -1.974 117.625 119.600 -0.002 0.000 2.727 171 M HA 0.656 5.135 4.480 -0.000 0.000 0.300 171 M C -0.742 175.563 176.300 0.008 0.000 1.246 171 M CA -1.446 53.855 55.300 0.001 0.000 0.835 171 M CB 1.088 33.692 32.600 0.005 0.000 1.755 171 M HN -0.241 nan 8.290 nan 0.000 0.473 172 A N 1.983 124.808 122.820 0.008 0.000 3.048 172 A HA 0.405 4.725 4.320 -0.000 0.000 0.264 172 A C 0.148 177.744 177.584 0.019 0.000 1.796 172 A CA -0.045 52.000 52.037 0.013 0.000 1.445 172 A CB -1.207 17.802 19.000 0.014 0.000 1.074 172 A HN 0.737 nan 8.150 nan 0.000 0.621 173 S N 0.805 116.519 115.700 0.022 0.000 2.498 173 S HA 0.521 4.991 4.470 -0.000 0.000 0.324 173 S C 1.126 175.740 174.600 0.024 0.000 1.071 173 S CA -0.009 58.205 58.200 0.024 0.000 1.113 173 S CB 0.929 64.143 63.200 0.023 0.000 0.976 173 S HN 0.881 nan 8.310 nan 0.000 0.462 174 A N 4.484 127.317 122.820 0.022 0.000 2.014 174 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 174 A C 1.972 179.569 177.584 0.021 0.000 1.163 174 A CA 0.966 53.017 52.037 0.023 0.000 0.652 174 A CB -0.383 18.632 19.000 0.024 0.000 0.808 174 A HN 0.880 nan 8.150 nan 0.000 0.449 175 Q N -0.468 119.337 119.800 0.008 0.000 2.119 175 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 175 Q C 2.092 178.079 176.000 -0.022 0.000 0.972 175 Q CA 1.548 57.341 55.803 -0.017 0.000 0.847 175 Q CB -0.281 28.432 28.738 -0.041 0.000 0.903 175 Q HN 0.511 nan 8.270 nan 0.000 0.433 176 V N 1.525 121.436 119.914 -0.005 0.000 2.307 176 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 176 V C 2.331 178.434 176.094 0.015 0.000 1.045 176 V CA 1.967 64.266 62.300 -0.002 0.000 1.024 176 V CB -0.572 31.279 31.823 0.047 0.000 0.651 176 V HN 0.351 nan 8.190 nan 0.000 0.449 177 K N 0.305 120.730 120.400 0.043 0.000 2.063 177 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 177 K C 2.260 178.880 176.600 0.033 0.000 1.048 177 K CA 2.132 58.450 56.287 0.051 0.000 0.928 177 K CB -0.267 32.261 32.500 0.046 0.000 0.713 177 K HN 0.444 nan 8.250 nan 0.000 0.442 178 S N 0.601 116.319 115.700 0.030 0.000 2.368 178 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 178 S C 2.076 176.691 174.600 0.025 0.000 1.030 178 S CA 1.113 59.341 58.200 0.047 0.000 0.999 178 S CB -0.303 62.931 63.200 0.056 0.000 0.844 178 S HN 0.556 nan 8.310 nan 0.000 0.459 179 A N 1.151 123.960 122.820 -0.019 0.000 1.902 179 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 179 A C 2.337 179.887 177.584 -0.057 0.000 1.181 179 A CA 1.522 53.529 52.037 -0.052 0.000 0.623 179 A CB -0.880 18.058 19.000 -0.103 0.000 0.818 179 A HN 0.346 nan 8.150 nan 0.000 0.443 180 V N 0.017 119.891 119.914 -0.067 0.000 2.358 180 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 180 V C 2.547 178.621 176.094 -0.033 0.000 1.047 180 V CA 1.832 64.085 62.300 -0.078 0.000 1.035 180 V CB -0.736 31.035 31.823 -0.085 0.000 0.658 180 V HN 0.556 nan 8.190 nan 0.000 0.452 181 L N -0.725 120.494 121.223 -0.007 0.000 2.046 181 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 181 L C 2.383 179.247 176.870 -0.010 0.000 1.077 181 L CA 1.445 56.282 54.840 -0.005 0.000 0.747 181 L CB -0.494 41.570 42.059 0.008 0.000 0.896 181 L HN 0.296 nan 8.230 nan 0.000 0.432 182 L N -0.571 120.661 121.223 0.014 0.000 2.093 182 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 182 L C 2.881 179.766 176.870 0.025 0.000 1.085 182 L CA 1.036 55.897 54.840 0.035 0.000 0.755 182 L CB -0.828 41.288 42.059 0.096 0.000 0.904 182 L HN 0.247 nan 8.230 nan 0.000 0.435 183 A N 0.649 123.470 122.820 0.001 0.000 1.933 183 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 183 A C 2.399 179.966 177.584 -0.030 0.000 1.175 183 A CA 1.672 53.702 52.037 -0.013 0.000 0.628 183 A CB -1.173 17.798 19.000 -0.049 0.000 0.814 183 A HN 0.440 nan 8.150 nan 0.000 0.444 184 G N -0.134 108.647 108.800 -0.032 0.000 2.462 184 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 184 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 184 G C 1.457 176.333 174.900 -0.041 0.000 1.121 184 G CA 0.981 46.059 45.100 -0.038 0.000 0.758 184 G HN 0.468 nan 8.290 nan 0.000 0.559 185 L N 0.007 121.210 121.223 -0.033 0.000 2.127 185 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 185 L C 2.062 178.906 176.870 -0.043 0.000 1.089 185 L CA 1.043 55.863 54.840 -0.033 0.000 0.757 185 L CB -0.179 41.868 42.059 -0.019 0.000 0.899 185 L HN 0.180 nan 8.230 nan 0.000 0.434 186 N N -1.044 117.613 118.700 -0.072 0.000 2.273 186 N HA 0.039 4.779 4.740 -0.000 0.000 0.231 186 N C -0.657 174.752 175.510 -0.169 0.000 1.134 186 N CA 0.059 53.006 53.050 -0.172 0.000 0.856 186 N CB 0.409 38.663 38.487 -0.390 0.000 1.068 186 N HN -0.034 nan 8.380 nan 0.000 0.510 187 T N 2.200 116.691 114.554 -0.105 0.000 2.792 187 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 187 T C -2.803 171.857 174.700 -0.066 0.000 0.990 187 T CA -1.335 60.712 62.100 -0.089 0.000 0.960 187 T CB 2.206 71.031 68.868 -0.071 0.000 0.939 187 T HN 0.067 nan 8.240 nan 0.000 0.439 188 P HA 0.487 nan 4.420 nan 0.000 0.276 188 P C 0.420 177.700 177.300 -0.034 0.000 1.230 188 P CA 0.411 63.485 63.100 -0.045 0.000 0.776 188 P CB 0.909 32.583 31.700 -0.043 0.000 0.888 189 G N 2.712 111.496 108.800 -0.027 0.000 2.466 189 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.316 189 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.316 189 G C -1.327 173.561 174.900 -0.018 0.000 1.270 189 G CA -0.790 44.297 45.100 -0.020 0.000 0.982 189 G HN 0.470 nan 8.290 nan 0.000 0.506 190 I N 1.326 121.888 120.570 -0.013 0.000 2.321 190 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 190 I C 0.723 176.836 176.117 -0.007 0.000 0.998 190 I CA -0.360 60.934 61.300 -0.010 0.000 1.227 190 I CB 0.501 38.497 38.000 -0.006 0.000 1.368 190 I HN 0.461 nan 8.210 nan 0.000 0.466 191 T N 5.540 120.090 114.554 -0.008 0.000 2.799 191 T HA 0.466 4.816 4.350 -0.000 0.000 0.286 191 T C 0.282 174.987 174.700 0.009 0.000 0.973 191 T CA -0.179 61.920 62.100 -0.001 0.000 1.035 191 T CB 1.009 69.871 68.868 -0.011 0.000 0.932 191 T HN 0.539 nan 8.240 nan 0.000 0.469 192 T N 2.883 117.451 114.554 0.023 0.000 2.824 192 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 192 T C -0.571 174.161 174.700 0.053 0.000 0.993 192 T CA -0.512 61.605 62.100 0.028 0.000 0.967 192 T CB 1.325 70.206 68.868 0.021 0.000 0.960 192 T HN 0.306 nan 8.240 nan 0.000 0.441 193 V N 4.655 124.598 119.914 0.048 0.000 2.448 193 V HA 0.536 4.656 4.120 -0.000 0.000 0.295 193 V C -0.372 175.744 176.094 0.036 0.000 1.025 193 V CA -0.786 61.556 62.300 0.070 0.000 0.859 193 V CB 1.561 33.427 31.823 0.071 0.000 0.988 193 V HN 0.791 nan 8.190 nan 0.000 0.431 194 I N 4.216 124.799 120.570 0.021 0.000 2.362 194 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 194 I C -0.057 176.050 176.117 -0.016 0.000 0.994 194 I CA -0.288 61.007 61.300 -0.009 0.000 1.158 194 I CB 1.706 39.688 38.000 -0.031 0.000 1.315 194 I HN 0.700 nan 8.210 nan 0.000 0.451 195 E N 9.234 129.429 120.200 -0.009 0.000 2.145 195 E HA 0.356 4.706 4.350 -0.000 0.000 0.262 195 E C -2.058 174.533 176.600 -0.016 0.000 0.883 195 E CA -1.857 54.538 56.400 -0.009 0.000 0.748 195 E CB 1.604 31.305 29.700 0.003 0.000 1.140 195 E HN 0.299 nan 8.360 nan 0.000 0.417 196 P HA -0.028 nan 4.420 nan 0.000 0.221 196 P C 0.146 177.438 177.300 -0.014 0.000 1.150 196 P CA 0.769 63.856 63.100 -0.021 0.000 0.800 196 P CB 0.604 32.287 31.700 -0.028 0.000 0.787 197 I N -0.247 120.317 120.570 -0.010 0.000 2.533 197 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 197 I C 0.367 176.481 176.117 -0.004 0.000 1.056 197 I CA -1.313 59.983 61.300 -0.006 0.000 1.057 197 I CB 2.448 40.447 38.000 -0.002 0.000 1.240 197 I HN -0.182 nan 8.210 nan 0.000 0.423 198 M N 5.939 125.535 119.600 -0.006 0.000 2.248 198 M HA 0.120 4.600 4.480 -0.000 0.000 0.345 198 M C 0.062 176.356 176.300 -0.010 0.000 1.243 198 M CA 0.739 56.033 55.300 -0.010 0.000 1.090 198 M CB 0.468 33.059 32.600 -0.014 0.000 1.683 198 M HN 0.790 nan 8.290 nan 0.000 0.450 199 T N 2.659 117.204 114.554 -0.016 0.000 2.926 199 T HA 0.550 4.900 4.350 -0.000 0.000 0.289 199 T C -0.444 174.225 174.700 -0.051 0.000 1.054 199 T CA -1.292 60.798 62.100 -0.017 0.000 1.015 199 T CB 0.938 69.805 68.868 -0.001 0.000 1.167 199 T HN 0.846 nan 8.240 nan 0.000 0.526 200 R N 0.787 121.247 120.500 -0.067 0.000 2.566 200 R HA 0.074 4.414 4.340 -0.000 0.000 0.273 200 R C -0.599 175.568 176.300 -0.221 0.000 0.981 200 R CA 0.207 56.194 56.100 -0.188 0.000 1.091 200 R CB -0.233 29.969 30.300 -0.163 0.000 0.924 200 R HN 0.812 nan 8.270 nan 0.000 0.411 201 D N 1.590 121.787 120.400 -0.338 0.000 2.559 201 D HA 0.015 4.655 4.640 -0.000 0.000 0.234 201 D C 0.397 176.623 176.300 -0.124 0.000 1.226 201 D CA -0.349 53.547 54.000 -0.174 0.000 0.830 201 D CB -0.131 40.609 40.800 -0.099 0.000 1.028 201 D HN 0.605 nan 8.370 nan 0.000 0.492 202 H N 0.520 119.632 119.070 0.071 0.000 2.387 202 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 202 H C 1.400 176.827 175.328 0.165 0.000 1.090 202 H CA 1.735 57.841 56.048 0.097 0.000 1.332 202 H CB -0.502 29.301 29.762 0.068 0.000 1.386 202 H HN 0.200 nan 8.280 nan 0.000 0.516 203 T N 1.304 116.016 114.554 0.264 0.000 2.674 203 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 203 T C 1.947 176.768 174.700 0.202 0.000 1.039 203 T CA 1.675 63.963 62.100 0.314 0.000 1.150 203 T CB -0.064 68.943 68.868 0.233 0.000 0.864 203 T HN 0.401 nan 8.240 nan 0.000 0.427 204 E N 1.274 121.543 120.200 0.114 0.000 2.058 204 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 204 E C 2.261 178.914 176.600 0.088 0.000 0.997 204 E CA 1.141 57.581 56.400 0.068 0.000 0.801 204 E CB -0.156 29.568 29.700 0.039 0.000 0.746 204 E HN 0.439 nan 8.360 nan 0.000 0.450 205 K N 0.017 120.484 120.400 0.113 0.000 2.057 205 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 205 K C 2.202 178.911 176.600 0.181 0.000 1.049 205 K CA 1.481 57.844 56.287 0.126 0.000 0.931 205 K CB -0.145 32.433 32.500 0.129 0.000 0.714 205 K HN 0.129 nan 8.250 nan 0.000 0.440 206 M N 0.583 120.344 119.600 0.269 0.000 2.200 206 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 206 M C 2.094 178.598 176.300 0.340 0.000 1.066 206 M CA 1.336 56.876 55.300 0.400 0.000 1.127 206 M CB -0.203 32.748 32.600 0.587 0.000 1.379 206 M HN 0.099 nan 8.290 nan 0.000 0.420 207 L N -0.154 121.114 121.223 0.076 0.000 2.083 207 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 207 L C 2.498 179.397 176.870 0.050 0.000 1.083 207 L CA 1.362 56.129 54.840 -0.122 0.000 0.752 207 L CB -0.617 41.296 42.059 -0.243 0.000 0.899 207 L HN 0.406 nan 8.230 nan 0.000 0.433 208 Q N -0.378 119.466 119.800 0.074 0.000 2.084 208 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 208 Q C 2.298 178.355 176.000 0.095 0.000 0.978 208 Q CA 1.422 57.266 55.803 0.068 0.000 0.844 208 Q CB -0.377 28.394 28.738 0.056 0.000 0.898 208 Q HN 0.601 nan 8.270 nan 0.000 0.426 209 G N -0.209 108.675 108.800 0.140 0.000 2.432 209 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 209 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 209 G C 0.833 175.759 174.900 0.042 0.000 1.135 209 G CA 0.339 45.495 45.100 0.094 0.000 0.767 209 G HN 0.235 nan 8.290 nan 0.000 0.550 210 F N 0.678 120.640 119.950 0.020 0.000 2.797 210 F HA 0.330 4.857 4.527 -0.000 0.000 0.302 210 F C 2.005 177.802 175.800 -0.006 0.000 1.130 210 F CA 0.503 58.510 58.000 0.013 0.000 1.387 210 F CB 0.528 39.521 39.000 -0.012 0.000 1.107 210 F HN 0.267 nan 8.300 nan 0.000 0.577 211 G N -0.055 108.819 108.800 0.123 0.000 2.176 211 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.232 211 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.232 211 G C 0.434 175.364 174.900 0.049 0.000 0.986 211 G CA -0.213 44.928 45.100 0.068 0.000 0.643 211 G HN 0.594 nan 8.290 nan 0.000 0.522 212 A N 0.022 122.867 122.820 0.042 0.000 2.498 212 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 212 A C 0.680 178.266 177.584 0.004 0.000 1.068 212 A CA 0.611 52.650 52.037 0.003 0.000 0.766 212 A CB 0.252 19.227 19.000 -0.042 0.000 1.003 212 A HN 0.817 nan 8.150 nan 0.000 0.497 213 N N 1.770 120.468 118.700 -0.002 0.000 2.739 213 N HA 0.269 5.009 4.740 -0.000 0.000 0.266 213 N C -1.092 174.415 175.510 -0.005 0.000 1.168 213 N CA 0.148 53.198 53.050 -0.000 0.000 1.055 213 N CB -0.451 38.036 38.487 -0.001 0.000 1.393 213 N HN 0.586 nan 8.380 nan 0.000 0.514 214 L N 2.148 123.369 121.223 -0.002 0.000 2.381 214 L HA 0.621 4.960 4.340 -0.000 0.000 0.274 214 L C -0.474 176.398 176.870 0.004 0.000 0.988 214 L CA -0.444 54.394 54.840 -0.004 0.000 0.824 214 L CB 1.661 43.714 42.059 -0.010 0.000 1.263 214 L HN 0.394 nan 8.230 nan 0.000 0.410 215 T N 1.475 116.031 114.554 0.004 0.000 2.908 215 T HA 0.769 5.119 4.350 -0.000 0.000 0.290 215 T C -0.782 173.922 174.700 0.006 0.000 1.034 215 T CA -0.754 61.349 62.100 0.006 0.000 1.010 215 T CB 1.972 70.842 68.868 0.004 0.000 1.068 215 T HN 0.287 nan 8.240 nan 0.000 0.481 216 V N 1.661 121.579 119.914 0.007 0.000 2.531 216 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 216 V C -0.397 175.699 176.094 0.003 0.000 1.034 216 V CA -0.736 61.567 62.300 0.005 0.000 0.865 216 V CB 1.425 33.252 31.823 0.006 0.000 0.995 216 V HN 1.082 nan 8.190 nan 0.000 0.424 217 E N 2.529 122.730 120.200 0.002 0.000 2.199 217 E HA 0.612 4.962 4.350 -0.000 0.000 0.265 217 E C -1.073 175.526 176.600 -0.001 0.000 0.882 217 E CA -0.421 55.979 56.400 0.000 0.000 0.759 217 E CB 1.789 31.489 29.700 -0.000 0.000 1.148 217 E HN 0.676 nan 8.360 nan 0.000 0.412 218 T N 4.097 118.650 114.554 -0.002 0.000 2.770 218 T HA 0.154 4.504 4.350 -0.000 0.000 0.283 218 T C -0.582 174.116 174.700 -0.004 0.000 0.988 218 T CA -0.743 61.355 62.100 -0.003 0.000 0.957 218 T CB 1.019 69.885 68.868 -0.003 0.000 0.930 218 T HN 0.484 nan 8.240 nan 0.000 0.443 219 D N 1.963 122.360 120.400 -0.005 0.000 2.357 219 D HA 0.196 4.836 4.640 -0.000 0.000 0.242 219 D C 1.305 177.602 176.300 -0.005 0.000 1.153 219 D CA -0.348 53.649 54.000 -0.006 0.000 0.918 219 D CB 1.294 42.090 40.800 -0.007 0.000 1.181 219 D HN 0.536 nan 8.370 nan 0.000 0.435 220 A N 2.376 125.193 122.820 -0.005 0.000 2.076 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 220 A C 1.390 178.971 177.584 -0.005 0.000 1.160 220 A CA 1.788 53.822 52.037 -0.004 0.000 0.653 220 A CB -0.294 18.704 19.000 -0.004 0.000 0.801 220 A HN 0.700 nan 8.150 nan 0.000 0.455 221 D N -2.343 118.053 120.400 -0.006 0.000 2.349 221 D HA 0.270 4.910 4.640 -0.000 0.000 0.224 221 D C 1.179 177.475 176.300 -0.007 0.000 1.029 221 D CA 0.973 54.969 54.000 -0.007 0.000 0.879 221 D CB -0.499 40.296 40.800 -0.008 0.000 0.906 221 D HN 0.720 nan 8.370 nan 0.000 0.528 222 G N -0.569 108.227 108.800 -0.007 0.000 2.217 222 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 222 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 222 G C 0.263 175.158 174.900 -0.008 0.000 0.990 222 G CA 0.108 45.204 45.100 -0.007 0.000 0.627 222 G HN 0.396 nan 8.290 nan 0.000 0.522 223 V N 1.783 121.692 119.914 -0.010 0.000 2.599 223 V HA 0.347 4.467 4.120 -0.000 0.000 0.300 223 V C 1.090 177.178 176.094 -0.009 0.000 1.034 223 V CA 0.392 62.685 62.300 -0.012 0.000 1.115 223 V CB 0.906 32.720 31.823 -0.015 0.000 0.934 223 V HN 0.424 nan 8.190 nan 0.000 0.485 224 R N 2.741 123.236 120.500 -0.008 0.000 2.346 224 R HA 0.543 4.883 4.340 -0.000 0.000 0.311 224 R C -0.427 175.871 176.300 -0.003 0.000 0.983 224 R CA -0.362 55.735 56.100 -0.005 0.000 0.880 224 R CB 1.435 31.733 30.300 -0.004 0.000 1.100 224 R HN 0.698 nan 8.270 nan 0.000 0.453 225 T N 4.452 119.005 114.554 -0.002 0.000 2.788 225 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 225 T C -0.058 174.644 174.700 0.004 0.000 1.009 225 T CA -0.470 61.631 62.100 0.000 0.000 0.949 225 T CB 0.451 69.318 68.868 -0.002 0.000 0.946 225 T HN 0.336 nan 8.240 nan 0.000 0.453 226 I N 3.828 124.403 120.570 0.009 0.000 2.355 226 I HA 0.450 4.620 4.170 -0.000 0.000 0.288 226 I C 0.372 176.494 176.117 0.010 0.000 0.999 226 I CA -0.733 60.573 61.300 0.010 0.000 1.163 226 I CB 1.258 39.267 38.000 0.014 0.000 1.316 226 I HN 0.276 nan 8.210 nan 0.000 0.454 227 R N 5.491 125.994 120.500 0.005 0.000 2.514 227 R HA 0.723 5.062 4.340 -0.000 0.000 0.301 227 R C -1.336 174.963 176.300 -0.002 0.000 0.962 227 R CA -0.918 55.184 56.100 0.003 0.000 0.882 227 R CB 2.304 32.605 30.300 0.001 0.000 1.143 227 R HN 0.391 nan 8.270 nan 0.000 0.452 228 L N 1.562 122.781 121.223 -0.006 0.000 2.409 228 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 228 L C -0.798 176.063 176.870 -0.015 0.000 0.980 228 L CA -0.335 54.497 54.840 -0.014 0.000 0.826 228 L CB 1.963 44.009 42.059 -0.021 0.000 1.268 228 L HN 0.614 nan 8.230 nan 0.000 0.407 229 E N 3.277 123.468 120.200 -0.015 0.000 2.194 229 E HA 0.519 4.869 4.350 -0.000 0.000 0.284 229 E C 0.005 176.592 176.600 -0.022 0.000 1.035 229 E CA -0.373 56.017 56.400 -0.016 0.000 0.836 229 E CB 0.894 30.587 29.700 -0.011 0.000 1.070 229 E HN 0.899 nan 8.360 nan 0.000 0.401 230 G N 3.225 112.010 108.800 -0.026 0.000 2.572 230 G HA2 0.114 4.074 3.960 -0.000 0.000 0.261 230 G HA3 0.114 4.074 3.960 -0.000 0.000 0.261 230 G C -0.227 174.653 174.900 -0.032 0.000 1.197 230 G CA -0.491 44.589 45.100 -0.033 0.000 0.870 230 G HN 0.892 nan 8.290 nan 0.000 0.548 231 R N -1.262 119.215 120.500 -0.037 0.000 3.641 231 R HA -0.161 4.179 4.340 -0.000 0.000 0.286 231 R C 0.856 177.148 176.300 -0.014 0.000 1.153 231 R CA 0.411 56.492 56.100 -0.031 0.000 0.775 231 R CB -1.870 28.406 30.300 -0.040 0.000 1.215 231 R HN 0.847 nan 8.270 nan 0.000 0.474 232 G N 0.721 109.515 108.800 -0.010 0.000 2.477 232 G HA2 0.366 4.326 3.960 -0.000 0.000 0.304 232 G HA3 0.366 4.326 3.960 -0.000 0.000 0.304 232 G C -0.501 174.407 174.900 0.013 0.000 1.175 232 G CA -0.718 44.382 45.100 0.001 0.000 0.907 232 G HN 0.092 nan 8.290 nan 0.000 0.509 233 K N 0.099 120.513 120.400 0.023 0.000 2.326 233 K HA 0.326 4.646 4.320 -0.000 0.000 0.275 233 K C -0.532 176.101 176.600 0.055 0.000 1.018 233 K CA -0.120 56.191 56.287 0.040 0.000 0.962 233 K CB 0.317 32.841 32.500 0.040 0.000 0.953 233 K HN 0.276 nan 8.250 nan 0.000 0.475 234 L N 3.062 124.334 121.223 0.082 0.000 2.346 234 L HA 0.356 4.696 4.340 -0.000 0.000 0.276 234 L C -0.519 176.462 176.870 0.185 0.000 1.006 234 L CA -0.824 54.099 54.840 0.139 0.000 0.817 234 L CB 2.317 44.444 42.059 0.113 0.000 1.272 234 L HN 0.690 nan 8.230 nan 0.000 0.421 235 T N 1.282 115.964 114.554 0.214 0.000 2.779 235 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 235 T C 0.413 175.189 174.700 0.126 0.000 0.987 235 T CA -0.546 61.637 62.100 0.138 0.000 0.966 235 T CB 1.659 70.557 68.868 0.050 0.000 0.933 235 T HN 0.740 nan 8.240 nan 0.000 0.442 236 G N 2.921 111.803 108.800 0.137 0.000 2.474 236 G HA2 0.337 4.297 3.960 -0.000 0.000 0.233 236 G HA3 0.337 4.297 3.960 -0.000 0.000 0.233 236 G C -0.387 174.417 174.900 -0.159 0.000 1.278 236 G CA -0.156 45.004 45.100 0.100 0.000 0.861 236 G HN 0.506 nan 8.290 nan 0.000 0.567 237 Q N -0.277 119.331 119.800 -0.320 0.000 2.528 237 Q HA 0.446 4.786 4.340 -0.000 0.000 0.289 237 Q C -0.787 175.126 176.000 -0.145 0.000 1.091 237 Q CA -0.904 54.680 55.803 -0.365 0.000 0.797 237 Q CB 2.283 30.549 28.738 -0.786 0.000 1.466 237 Q HN 0.321 nan 8.270 nan 0.000 0.436 238 V N 2.259 122.112 119.914 -0.102 0.000 2.383 238 V HA 0.413 4.533 4.120 -0.000 0.000 0.275 238 V C 0.006 176.090 176.094 -0.016 0.000 1.036 238 V CA -0.232 62.053 62.300 -0.025 0.000 0.889 238 V CB 0.630 32.443 31.823 -0.016 0.000 0.985 238 V HN 0.498 nan 8.190 nan 0.000 0.459 239 I N 4.038 124.627 120.570 0.032 0.000 2.433 239 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 239 I C -0.782 175.361 176.117 0.043 0.000 1.001 239 I CA -0.461 60.869 61.300 0.049 0.000 1.119 239 I CB 2.090 40.150 38.000 0.101 0.000 1.289 239 I HN 0.508 nan 8.210 nan 0.000 0.438 240 D N 5.731 126.149 120.400 0.030 0.000 2.453 240 D HA 0.322 4.962 4.640 -0.000 0.000 0.238 240 D C -0.808 175.496 176.300 0.007 0.000 1.088 240 D CA -0.291 53.721 54.000 0.020 0.000 0.854 240 D CB 1.511 42.321 40.800 0.016 0.000 1.076 240 D HN 0.081 nan 8.370 nan 0.000 0.533 241 V N 6.549 126.458 119.914 -0.009 0.000 2.508 241 V HA 0.305 4.425 4.120 -0.000 0.000 0.281 241 V C -1.477 174.592 176.094 -0.041 0.000 1.041 241 V CA -0.956 61.319 62.300 -0.041 0.000 1.016 241 V CB 0.789 32.565 31.823 -0.079 0.000 0.984 241 V HN 0.565 nan 8.190 nan 0.000 0.478 242 P HA 0.257 nan 4.420 nan 0.000 0.278 242 P C 0.113 177.377 177.300 -0.059 0.000 1.258 242 P CA -0.203 62.874 63.100 -0.038 0.000 0.811 242 P CB 0.933 32.619 31.700 -0.024 0.000 1.063 243 G N 0.573 109.342 108.800 -0.051 0.000 2.441 243 G HA2 0.027 3.987 3.960 -0.000 0.000 0.243 243 G HA3 0.027 3.987 3.960 -0.000 0.000 0.243 243 G C -0.129 174.721 174.900 -0.084 0.000 1.281 243 G CA -0.167 44.891 45.100 -0.070 0.000 0.854 243 G HN 0.503 nan 8.290 nan 0.000 0.560 244 D N 2.742 123.071 120.400 -0.118 0.000 2.382 244 D HA 0.071 4.711 4.640 -0.000 0.000 0.259 244 D C -0.970 175.273 176.300 -0.095 0.000 1.224 244 D CA -1.643 52.288 54.000 -0.116 0.000 0.894 244 D CB 1.838 42.544 40.800 -0.157 0.000 1.127 244 D HN 0.104 nan 8.370 nan 0.000 0.487 245 P HA -0.050 nan 4.420 nan 0.000 0.225 245 P C 1.131 178.384 177.300 -0.079 0.000 1.156 245 P CA 0.394 63.460 63.100 -0.057 0.000 0.787 245 P CB 0.475 32.157 31.700 -0.031 0.000 0.802 246 S N -0.186 115.475 115.700 -0.064 0.000 2.395 246 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 246 S C 2.138 176.694 174.600 -0.073 0.000 1.027 246 S CA 1.160 59.314 58.200 -0.077 0.000 0.965 246 S CB -0.621 62.583 63.200 0.007 0.000 0.812 246 S HN 0.207 nan 8.310 nan 0.000 0.482 247 S N 1.216 116.900 115.700 -0.027 0.000 2.387 247 S HA -0.055 4.415 4.470 -0.000 0.000 0.226 247 S C 2.062 176.720 174.600 0.097 0.000 1.026 247 S CA 1.085 59.304 58.200 0.031 0.000 0.972 247 S CB -0.543 62.313 63.200 -0.574 0.000 0.814 247 S HN 0.519 nan 8.310 nan 0.000 0.477 248 T N 2.631 117.160 114.554 -0.040 0.000 2.759 248 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 248 T C 2.099 176.793 174.700 -0.010 0.000 1.042 248 T CA 1.201 63.301 62.100 -0.000 0.000 1.140 248 T CB -0.513 68.330 68.868 -0.041 0.000 0.864 248 T HN 0.474 nan 8.240 nan 0.000 0.455 249 A N 0.735 123.460 122.820 -0.158 0.000 1.986 249 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 249 A C 1.933 179.357 177.584 -0.268 0.000 1.171 249 A CA 1.535 53.395 52.037 -0.295 0.000 0.640 249 A CB -1.011 17.678 19.000 -0.517 0.000 0.811 249 A HN 0.560 nan 8.150 nan 0.000 0.451 250 F N 0.403 120.459 119.950 0.176 0.000 2.060 250 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 250 F C 0.072 175.969 175.800 0.161 0.000 1.120 250 F CA 1.676 59.810 58.000 0.223 0.000 1.205 250 F CB -1.236 38.023 39.000 0.433 0.000 0.986 250 F HN 0.202 nan 8.300 nan 0.000 0.470 251 P HA -0.130 nan 4.420 nan 0.000 0.221 251 P C 1.968 179.317 177.300 0.081 0.000 1.150 251 P CA 1.235 64.429 63.100 0.157 0.000 0.800 251 P CB -0.045 31.744 31.700 0.149 0.000 0.787 252 L N -0.151 121.108 121.223 0.061 0.000 2.005 252 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 252 L C 2.405 179.274 176.870 -0.001 0.000 1.072 252 L CA 1.539 56.386 54.840 0.011 0.000 0.744 252 L CB -0.718 41.331 42.059 -0.017 0.000 0.895 252 L HN -0.233 nan 8.230 nan 0.000 0.433 253 V N 0.254 120.166 119.914 -0.004 0.000 2.427 253 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 253 V C 2.803 178.898 176.094 0.000 0.000 1.051 253 V CA 1.494 63.789 62.300 -0.008 0.000 1.048 253 V CB -0.851 30.963 31.823 -0.015 0.000 0.666 253 V HN 0.609 nan 8.190 nan 0.000 0.456 254 A N 0.124 122.962 122.820 0.030 0.000 1.908 254 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 254 A C 2.414 179.981 177.584 -0.030 0.000 1.181 254 A CA 2.137 54.175 52.037 0.003 0.000 0.627 254 A CB -0.731 18.288 19.000 0.030 0.000 0.818 254 A HN 0.573 nan 8.150 nan 0.000 0.445 255 A N -0.496 122.314 122.820 -0.015 0.000 1.969 255 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 255 A C 2.145 179.709 177.584 -0.033 0.000 1.169 255 A CA 1.350 53.373 52.037 -0.024 0.000 0.635 255 A CB -0.506 18.487 19.000 -0.012 0.000 0.810 255 A HN 0.475 nan 8.150 nan 0.000 0.445 256 L N -0.772 120.433 121.223 -0.031 0.000 2.056 256 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 256 L C 2.441 179.280 176.870 -0.052 0.000 1.078 256 L CA 1.004 55.825 54.840 -0.032 0.000 0.749 256 L CB -0.422 41.623 42.059 -0.023 0.000 0.901 256 L HN 0.379 nan 8.230 nan 0.000 0.433 257 L N -1.089 120.083 121.223 -0.084 0.000 2.162 257 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 257 L C 0.809 177.567 176.870 -0.186 0.000 1.086 257 L CA 0.028 54.769 54.840 -0.165 0.000 0.778 257 L CB -0.136 41.758 42.059 -0.275 0.000 0.928 257 L HN -0.056 nan 8.230 nan 0.000 0.446 258 V N 1.834 121.664 119.914 -0.140 0.000 2.439 258 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 258 V C -2.013 174.034 176.094 -0.078 0.000 1.040 258 V CA -1.328 60.901 62.300 -0.117 0.000 1.002 258 V CB 0.422 32.192 31.823 -0.089 0.000 1.000 258 V HN -0.008 nan 8.190 nan 0.000 0.477 259 P HA 0.180 nan 4.420 nan 0.000 0.267 259 P C 0.858 178.137 177.300 -0.035 0.000 1.200 259 P CA 1.107 64.180 63.100 -0.044 0.000 0.772 259 P CB 0.547 32.226 31.700 -0.036 0.000 0.855 260 G N 0.818 109.603 108.800 -0.026 0.000 2.176 260 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.252 260 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.252 260 G C 0.084 174.970 174.900 -0.023 0.000 1.024 260 G CA -0.104 44.983 45.100 -0.022 0.000 0.755 260 G HN 0.539 nan 8.290 nan 0.000 0.507 261 S N -0.178 115.507 115.700 -0.025 0.000 2.549 261 S HA 0.682 5.151 4.470 -0.000 0.000 0.297 261 S C -0.633 173.956 174.600 -0.018 0.000 1.115 261 S CA -0.484 57.702 58.200 -0.024 0.000 1.059 261 S CB 2.215 65.397 63.200 -0.030 0.000 1.046 261 S HN 0.383 nan 8.310 nan 0.000 0.506 262 D N 1.811 122.202 120.400 -0.016 0.000 2.318 262 D HA 0.305 4.945 4.640 -0.000 0.000 0.233 262 D C -1.646 174.648 176.300 -0.009 0.000 1.348 262 D CA -0.155 53.838 54.000 -0.012 0.000 0.983 262 D CB 1.054 41.847 40.800 -0.010 0.000 1.416 262 D HN 0.249 nan 8.370 nan 0.000 0.558 263 V N 2.600 122.510 119.914 -0.007 0.000 2.540 263 V HA 0.565 4.685 4.120 -0.000 0.000 0.302 263 V C 0.288 176.382 176.094 0.000 0.000 1.035 263 V CA -0.474 61.825 62.300 -0.003 0.000 0.873 263 V CB 2.066 33.889 31.823 0.000 0.000 0.992 263 V HN 0.484 nan 8.190 nan 0.000 0.428 264 T N 6.033 120.588 114.554 0.003 0.000 2.779 264 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 264 T C -0.412 174.293 174.700 0.008 0.000 0.987 264 T CA -0.112 61.990 62.100 0.003 0.000 0.966 264 T CB 0.933 69.802 68.868 0.001 0.000 0.933 264 T HN 0.362 nan 8.240 nan 0.000 0.442 265 I N 3.905 124.480 120.570 0.008 0.000 2.339 265 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 265 I C -0.159 175.960 176.117 0.004 0.000 0.994 265 I CA -0.523 60.784 61.300 0.012 0.000 1.191 265 I CB 1.055 39.063 38.000 0.015 0.000 1.343 265 I HN 0.372 nan 8.210 nan 0.000 0.458 266 L N 5.919 127.145 121.223 0.005 0.000 2.357 266 L HA 0.361 4.701 4.340 -0.000 0.000 0.273 266 L C 1.070 177.937 176.870 -0.005 0.000 1.080 266 L CA -0.561 54.279 54.840 0.001 0.000 0.803 266 L CB 0.523 42.584 42.059 0.003 0.000 1.174 266 L HN 0.787 nan 8.230 nan 0.000 0.443 267 N N 1.133 119.829 118.700 -0.006 0.000 2.727 267 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 267 N C -0.963 174.538 175.510 -0.016 0.000 1.040 267 N CA -0.283 52.762 53.050 -0.008 0.000 0.712 267 N CB -0.171 38.312 38.487 -0.008 0.000 0.912 267 N HN 0.309 nan 8.380 nan 0.000 0.545 268 V N 2.118 122.023 119.914 -0.015 0.000 2.465 268 V HA 0.257 4.377 4.120 -0.000 0.000 0.279 268 V C 0.923 177.008 176.094 -0.014 0.000 1.045 268 V CA -0.705 61.583 62.300 -0.022 0.000 0.938 268 V CB 1.445 33.255 31.823 -0.021 0.000 0.986 268 V HN 0.295 nan 8.190 nan 0.000 0.467 269 L N 6.157 127.371 121.223 -0.016 0.000 2.499 269 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 269 L C 0.641 177.516 176.870 0.009 0.000 1.195 269 L CA 1.069 55.911 54.840 0.003 0.000 0.882 269 L CB 0.358 42.422 42.059 0.008 0.000 1.133 269 L HN 0.604 nan 8.230 nan 0.000 0.483 270 M N 3.739 123.349 119.600 0.016 0.000 2.502 270 M HA 0.181 4.661 4.480 -0.000 0.000 0.351 270 M C 0.241 176.551 176.300 0.017 0.000 1.118 270 M CA -0.137 55.169 55.300 0.010 0.000 0.952 270 M CB -1.077 31.526 32.600 0.004 0.000 1.424 270 M HN 0.785 nan 8.290 nan 0.000 0.529 271 N N 3.792 122.514 118.700 0.036 0.000 2.359 271 N HA -0.022 4.718 4.740 -0.000 0.000 0.261 271 N C -1.394 174.122 175.510 0.010 0.000 1.267 271 N CA -0.593 52.476 53.050 0.032 0.000 0.864 271 N CB 1.231 39.761 38.487 0.072 0.000 1.063 271 N HN 0.010 nan 8.380 nan 0.000 0.474 272 P HA -0.153 nan 4.420 nan 0.000 0.223 272 P C 0.726 178.016 177.300 -0.017 0.000 1.144 272 P CA 1.164 64.258 63.100 -0.010 0.000 0.783 272 P CB -0.151 31.543 31.700 -0.010 0.000 0.771 273 T N -3.911 110.627 114.554 -0.027 0.000 3.160 273 T HA 0.090 4.440 4.350 -0.000 0.000 0.257 273 T C 1.450 176.140 174.700 -0.016 0.000 1.147 273 T CA 0.282 62.361 62.100 -0.035 0.000 1.064 273 T CB -0.331 68.491 68.868 -0.077 0.000 0.949 273 T HN -0.009 nan 8.240 nan 0.000 0.526 274 R N 0.760 121.259 120.500 -0.002 0.000 2.509 274 R HA 0.192 4.532 4.340 -0.000 0.000 0.297 274 R C 1.513 177.803 176.300 -0.017 0.000 0.951 274 R CA 0.741 56.848 56.100 0.011 0.000 1.103 274 R CB -0.012 30.320 30.300 0.054 0.000 1.283 274 R HN 0.632 nan 8.270 nan 0.000 0.534 275 T N -3.358 111.181 114.554 -0.024 0.000 3.176 275 T HA 0.161 4.511 4.350 -0.000 0.000 0.263 275 T C 1.595 176.263 174.700 -0.053 0.000 1.021 275 T CA 0.301 62.378 62.100 -0.038 0.000 0.905 275 T CB 0.740 69.592 68.868 -0.027 0.000 1.057 275 T HN 0.113 nan 8.240 nan 0.000 0.558 276 G N 2.035 110.797 108.800 -0.062 0.000 2.442 276 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 276 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 276 G C 1.248 176.082 174.900 -0.111 0.000 1.141 276 G CA 1.003 46.056 45.100 -0.078 0.000 0.763 276 G HN 0.509 nan 8.290 nan 0.000 0.554 277 L N 0.609 121.748 121.223 -0.140 0.000 2.017 277 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 277 L C 2.678 179.484 176.870 -0.106 0.000 1.073 277 L CA 1.353 56.099 54.840 -0.157 0.000 0.745 277 L CB -0.355 41.595 42.059 -0.181 0.000 0.894 277 L HN 0.254 nan 8.230 nan 0.000 0.432 278 I N -0.951 119.568 120.570 -0.084 0.000 2.163 278 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 278 I C 2.401 178.488 176.117 -0.049 0.000 1.085 278 I CA 1.439 62.703 61.300 -0.060 0.000 1.347 278 I CB -0.401 37.570 38.000 -0.048 0.000 1.044 278 I HN 0.364 nan 8.210 nan 0.000 0.408 279 L N 0.329 121.524 121.223 -0.048 0.000 2.046 279 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 279 L C 2.452 179.300 176.870 -0.036 0.000 1.077 279 L CA 2.146 56.965 54.840 -0.036 0.000 0.747 279 L CB -0.870 41.169 42.059 -0.032 0.000 0.896 279 L HN 0.157 nan 8.230 nan 0.000 0.432 280 T N -0.126 114.398 114.554 -0.051 0.000 2.777 280 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 280 T C 1.957 176.635 174.700 -0.037 0.000 1.040 280 T CA 1.811 63.883 62.100 -0.046 0.000 1.141 280 T CB -0.345 68.479 68.868 -0.074 0.000 0.868 280 T HN 0.305 nan 8.240 nan 0.000 0.444 281 L N 0.738 121.934 121.223 -0.045 0.000 2.083 281 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 281 L C 2.913 179.771 176.870 -0.021 0.000 1.083 281 L CA 1.301 56.122 54.840 -0.032 0.000 0.752 281 L CB -0.598 41.437 42.059 -0.040 0.000 0.899 281 L HN 0.312 nan 8.230 nan 0.000 0.433 282 Q N -0.080 119.706 119.800 -0.023 0.000 2.084 282 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 282 Q C 2.057 178.050 176.000 -0.011 0.000 0.978 282 Q CA 1.550 57.344 55.803 -0.016 0.000 0.844 282 Q CB -0.100 28.628 28.738 -0.017 0.000 0.898 282 Q HN 0.551 nan 8.270 nan 0.000 0.426 283 E N 0.167 120.361 120.200 -0.011 0.000 2.204 283 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 283 E C 1.654 178.253 176.600 -0.002 0.000 0.989 283 E CA 0.801 57.197 56.400 -0.006 0.000 0.824 283 E CB 0.013 29.710 29.700 -0.006 0.000 0.756 283 E HN 0.386 nan 8.360 nan 0.000 0.477 284 M N -1.039 118.559 119.600 -0.002 0.000 2.595 284 M HA 0.081 4.561 4.480 -0.000 0.000 0.248 284 M C 1.064 177.367 176.300 0.006 0.000 1.119 284 M CA 0.770 56.072 55.300 0.004 0.000 1.079 284 M CB 0.827 33.431 32.600 0.006 0.000 1.472 284 M HN 0.275 nan 8.290 nan 0.000 0.501 285 G N 0.284 109.084 108.800 0.001 0.000 2.154 285 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.186 285 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.186 285 G C 0.100 174.999 174.900 -0.001 0.000 1.000 285 G CA -0.215 44.886 45.100 0.002 0.000 0.664 285 G HN 0.637 nan 8.290 nan 0.000 0.513 286 A N 0.196 123.014 122.820 -0.005 0.000 2.462 286 A HA 0.503 4.823 4.320 -0.000 0.000 0.243 286 A C 0.277 177.855 177.584 -0.009 0.000 1.076 286 A CA 0.642 52.674 52.037 -0.008 0.000 0.773 286 A CB 0.462 19.454 19.000 -0.014 0.000 1.010 286 A HN 0.378 nan 8.150 nan 0.000 0.493 287 D N 2.143 122.538 120.400 -0.009 0.000 2.479 287 D HA 0.445 5.085 4.640 -0.000 0.000 0.218 287 D C -0.868 175.426 176.300 -0.011 0.000 1.131 287 D CA 0.089 54.084 54.000 -0.009 0.000 0.916 287 D CB -0.234 40.562 40.800 -0.008 0.000 1.022 287 D HN 0.353 nan 8.370 nan 0.000 0.515 288 I N 2.653 123.216 120.570 -0.012 0.000 2.439 288 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 288 I C 0.118 176.229 176.117 -0.011 0.000 1.021 288 I CA -0.788 60.505 61.300 -0.013 0.000 1.091 288 I CB 1.992 39.981 38.000 -0.018 0.000 1.242 288 I HN 0.170 nan 8.210 nan 0.000 0.439 289 E N 6.195 126.389 120.200 -0.009 0.000 2.156 289 E HA 0.409 4.759 4.350 -0.000 0.000 0.279 289 E C -1.270 175.325 176.600 -0.008 0.000 0.965 289 E CA -0.656 55.739 56.400 -0.008 0.000 0.789 289 E CB 1.757 31.453 29.700 -0.006 0.000 1.098 289 E HN 0.336 nan 8.360 nan 0.000 0.397 290 V N 6.944 126.854 119.914 -0.007 0.000 2.368 290 V HA 0.262 4.382 4.120 -0.000 0.000 0.266 290 V C 0.198 176.289 176.094 -0.005 0.000 1.045 290 V CA -0.209 62.087 62.300 -0.007 0.000 0.899 290 V CB 0.480 32.299 31.823 -0.007 0.000 1.006 290 V HN 0.609 nan 8.190 nan 0.000 0.470 291 I N 4.586 125.153 120.570 -0.004 0.000 2.404 291 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 291 I C 0.633 176.749 176.117 -0.002 0.000 0.992 291 I CA -0.688 60.610 61.300 -0.003 0.000 1.149 291 I CB 1.377 39.375 38.000 -0.003 0.000 1.315 291 I HN 0.698 nan 8.210 nan 0.000 0.446 292 N N 4.872 123.571 118.700 -0.001 0.000 2.714 292 N HA -0.116 4.624 4.740 -0.000 0.000 0.253 292 N C -2.396 173.114 175.510 0.000 0.000 1.024 292 N CA -0.013 53.037 53.050 -0.000 0.000 0.726 292 N CB -0.571 37.916 38.487 0.000 0.000 0.908 292 N HN 0.297 nan 8.380 nan 0.000 0.542 293 P HA 0.081 nan 4.420 nan 0.000 0.267 293 P C -0.174 177.127 177.300 0.003 0.000 1.205 293 P CA 0.570 63.671 63.100 0.001 0.000 0.765 293 P CB 0.564 32.264 31.700 0.001 0.000 0.828 294 R N 1.749 122.252 120.500 0.004 0.000 2.781 294 R HA 0.682 5.022 4.340 -0.000 0.000 0.268 294 R C -1.664 174.641 176.300 0.008 0.000 1.047 294 R CA -1.266 54.837 56.100 0.005 0.000 0.925 294 R CB 0.589 30.891 30.300 0.004 0.000 1.246 294 R HN 0.260 nan 8.270 nan 0.000 0.456 295 L N 0.838 122.066 121.223 0.009 0.000 2.296 295 L HA 0.783 5.123 4.340 -0.000 0.000 0.286 295 L C -1.275 175.602 176.870 0.011 0.000 1.023 295 L CA -0.169 54.679 54.840 0.012 0.000 0.812 295 L CB 1.617 43.684 42.059 0.012 0.000 1.223 295 L HN 0.893 nan 8.230 nan 0.000 0.421 296 A N 3.422 126.250 122.820 0.014 0.000 2.408 296 A HA 0.610 4.930 4.320 -0.000 0.000 0.295 296 A C 0.518 178.111 177.584 0.016 0.000 1.040 296 A CA -0.066 51.979 52.037 0.012 0.000 0.707 296 A CB 1.140 20.145 19.000 0.009 0.000 1.235 296 A HN 1.624 nan 8.150 nan 0.000 0.418 297 G N 1.044 109.854 108.800 0.016 0.000 2.283 297 G HA2 0.144 4.104 3.960 -0.000 0.000 0.280 297 G HA3 0.144 4.104 3.960 -0.000 0.000 0.280 297 G C 1.689 176.607 174.900 0.031 0.000 1.029 297 G CA 1.448 46.560 45.100 0.021 0.000 0.840 297 G HN 2.891 nan 8.290 nan 0.000 0.505 298 G N -2.052 106.765 108.800 0.029 0.000 2.184 298 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.264 298 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.264 298 G C 0.093 175.021 174.900 0.048 0.000 0.975 298 G CA 1.140 46.264 45.100 0.039 0.000 0.642 298 G HN 0.953 nan 8.290 nan 0.000 0.536 299 E N 0.307 120.533 120.200 0.043 0.000 2.359 299 E HA 0.371 4.721 4.350 -0.000 0.000 0.266 299 E C -0.973 175.647 176.600 0.034 0.000 0.920 299 E CA -0.745 55.684 56.400 0.049 0.000 0.788 299 E CB 1.100 30.836 29.700 0.060 0.000 1.279 299 E HN 0.232 nan 8.360 nan 0.000 0.438 300 D N 1.409 121.830 120.400 0.034 0.000 2.312 300 D HA 0.254 4.894 4.640 -0.000 0.000 0.252 300 D C 0.015 176.327 176.300 0.019 0.000 1.150 300 D CA 0.057 54.071 54.000 0.022 0.000 0.870 300 D CB 1.298 42.110 40.800 0.020 0.000 1.153 300 D HN 0.177 nan 8.370 nan 0.000 0.457 301 V N -1.272 118.649 119.914 0.011 0.000 3.130 301 V HA 0.985 5.104 4.120 -0.000 0.000 0.310 301 V C -1.004 175.091 176.094 0.002 0.000 1.158 301 V CA -0.815 61.488 62.300 0.005 0.000 1.029 301 V CB 1.822 33.646 31.823 0.003 0.000 1.057 301 V HN 0.672 nan 8.190 nan 0.000 0.436 302 A N 1.027 123.846 122.820 -0.001 0.000 2.601 302 A HA 0.787 5.107 4.320 -0.000 0.000 0.291 302 A C -1.769 175.812 177.584 -0.004 0.000 1.075 302 A CA -0.669 51.367 52.037 -0.002 0.000 0.671 302 A CB 1.643 20.641 19.000 -0.003 0.000 1.277 302 A HN 0.902 nan 8.150 nan 0.000 0.417 303 D N 0.645 121.043 120.400 -0.004 0.000 2.193 303 D HA 0.595 5.235 4.640 -0.000 0.000 0.249 303 D C -0.780 175.517 176.300 -0.005 0.000 1.034 303 D CA 0.127 54.125 54.000 -0.003 0.000 0.902 303 D CB 1.599 42.398 40.800 -0.002 0.000 1.182 303 D HN 0.411 nan 8.370 nan 0.000 0.436 304 L N 1.391 122.611 121.223 -0.005 0.000 2.356 304 L HA 0.451 4.791 4.340 -0.000 0.000 0.277 304 L C 0.209 177.077 176.870 -0.005 0.000 0.996 304 L CA -0.772 54.064 54.840 -0.007 0.000 0.822 304 L CB 2.071 44.124 42.059 -0.010 0.000 1.256 304 L HN 0.067 nan 8.230 nan 0.000 0.413 305 R N 2.826 123.323 120.500 -0.005 0.000 2.295 305 R HA 0.660 5.000 4.340 -0.000 0.000 0.324 305 R C -1.464 174.832 176.300 -0.007 0.000 0.968 305 R CA -0.471 55.626 56.100 -0.005 0.000 0.837 305 R CB 1.427 31.724 30.300 -0.005 0.000 1.133 305 R HN 0.442 nan 8.270 nan 0.000 0.450 306 V N 5.337 125.247 119.914 -0.007 0.000 2.448 306 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 306 V C -0.035 176.053 176.094 -0.010 0.000 1.025 306 V CA -0.804 61.490 62.300 -0.009 0.000 0.859 306 V CB 1.630 33.448 31.823 -0.009 0.000 0.988 306 V HN 0.786 nan 8.190 nan 0.000 0.431 307 R N 1.952 122.444 120.500 -0.012 0.000 2.803 307 R HA 0.569 4.909 4.340 -0.000 0.000 0.276 307 R C -0.201 176.090 176.300 -0.016 0.000 0.978 307 R CA -0.702 55.390 56.100 -0.013 0.000 0.939 307 R CB 2.065 32.359 30.300 -0.011 0.000 1.179 307 R HN 0.723 nan 8.270 nan 0.000 0.472 308 S N 1.176 116.865 115.700 -0.020 0.000 2.593 308 S HA 0.025 4.495 4.470 -0.000 0.000 0.300 308 S C -0.313 174.277 174.600 -0.017 0.000 1.267 308 S CA 0.331 58.516 58.200 -0.024 0.000 1.065 308 S CB 0.288 63.472 63.200 -0.026 0.000 0.807 308 S HN 0.475 nan 8.310 nan 0.000 0.499 309 S N 1.101 116.792 115.700 -0.016 0.000 2.595 309 S HA 0.639 5.109 4.470 -0.000 0.000 0.281 309 S C -0.251 174.349 174.600 0.000 0.000 1.117 309 S CA -1.111 57.085 58.200 -0.007 0.000 0.873 309 S CB 2.001 65.197 63.200 -0.006 0.000 1.108 309 S HN 0.790 nan 8.310 nan 0.000 0.477 310 T N 0.650 115.208 114.554 0.007 0.000 2.767 310 T HA 0.709 5.059 4.350 -0.000 0.000 0.288 310 T C -0.380 174.333 174.700 0.022 0.000 0.963 310 T CA -0.634 61.476 62.100 0.018 0.000 1.019 310 T CB -0.154 68.724 68.868 0.017 0.000 0.923 310 T HN 0.394 nan 8.240 nan 0.000 0.468 311 L N 2.453 123.697 121.223 0.035 0.000 2.334 311 L HA 0.648 4.988 4.340 -0.000 0.000 0.272 311 L C 0.352 177.243 176.870 0.036 0.000 1.020 311 L CA -1.158 53.702 54.840 0.034 0.000 0.812 311 L CB 1.778 43.864 42.059 0.044 0.000 1.264 311 L HN 0.578 nan 8.230 nan 0.000 0.439 312 K N 0.420 120.836 120.400 0.026 0.000 2.371 312 K HA 0.484 4.804 4.320 -0.000 0.000 0.251 312 K C -0.205 176.407 176.600 0.021 0.000 0.934 312 K CA -0.738 55.563 56.287 0.023 0.000 0.798 312 K CB 2.170 34.681 32.500 0.017 0.000 1.204 312 K HN 0.753 nan 8.250 nan 0.000 0.427 313 G N 0.976 109.788 108.800 0.020 0.000 2.491 313 G HA2 0.362 4.322 3.960 -0.000 0.000 0.238 313 G HA3 0.362 4.322 3.960 -0.000 0.000 0.238 313 G C -0.095 174.815 174.900 0.016 0.000 1.277 313 G CA -0.275 44.836 45.100 0.019 0.000 0.851 313 G HN 0.380 nan 8.290 nan 0.000 0.573 314 V N -1.348 118.577 119.914 0.018 0.000 3.160 314 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 314 V C -0.075 176.032 176.094 0.023 0.000 1.181 314 V CA -1.065 61.245 62.300 0.017 0.000 1.047 314 V CB 1.664 33.495 31.823 0.013 0.000 1.068 314 V HN 0.661 nan 8.190 nan 0.000 0.441 315 T N 1.702 116.269 114.554 0.022 0.000 2.767 315 T HA 0.611 4.961 4.350 -0.000 0.000 0.288 315 T C -0.367 174.354 174.700 0.034 0.000 0.963 315 T CA -0.197 61.919 62.100 0.027 0.000 1.019 315 T CB 1.141 70.021 68.868 0.020 0.000 0.923 315 T HN 0.732 nan 8.240 nan 0.000 0.468 316 V N 7.649 127.595 119.914 0.054 0.000 2.311 316 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 316 V C -1.846 174.295 176.094 0.078 0.000 1.022 316 V CA -2.060 60.284 62.300 0.073 0.000 0.830 316 V CB 0.795 32.695 31.823 0.128 0.000 1.012 316 V HN 0.725 nan 8.190 nan 0.000 0.452 317 P HA 0.079 nan 4.420 nan 0.000 0.269 317 P C 0.825 178.159 177.300 0.056 0.000 1.209 317 P CA -0.072 63.054 63.100 0.044 0.000 0.776 317 P CB 0.982 32.699 31.700 0.029 0.000 0.876 318 E N 2.792 123.013 120.200 0.035 0.000 2.160 318 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 318 E C 0.643 177.266 176.600 0.038 0.000 0.991 318 E CA 1.771 58.189 56.400 0.029 0.000 0.810 318 E CB -0.953 28.750 29.700 0.004 0.000 0.742 318 E HN 0.519 nan 8.360 nan 0.000 0.466 319 D N 0.714 121.132 120.400 0.031 0.000 2.363 319 D HA -0.138 4.502 4.640 -0.000 0.000 0.220 319 D C 1.917 178.239 176.300 0.036 0.000 0.994 319 D CA 0.395 54.411 54.000 0.027 0.000 0.890 319 D CB -0.467 40.342 40.800 0.015 0.000 0.906 319 D HN 0.233 nan 8.370 nan 0.000 0.530 320 R N 0.043 120.574 120.500 0.053 0.000 2.246 320 R HA 0.239 4.579 4.340 -0.000 0.000 0.199 320 R C 1.987 178.338 176.300 0.085 0.000 0.984 320 R CA 0.663 56.793 56.100 0.050 0.000 1.015 320 R CB -0.014 30.310 30.300 0.041 0.000 0.930 320 R HN 0.132 nan 8.270 nan 0.000 0.475 321 A N 2.192 125.099 122.820 0.145 0.000 1.903 321 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 321 A C -0.548 177.136 177.584 0.166 0.000 1.191 321 A CA 1.336 53.519 52.037 0.244 0.000 0.638 321 A CB -1.454 17.652 19.000 0.177 0.000 0.823 321 A HN 0.302 nan 8.150 nan 0.000 0.451 322 P HA -0.147 nan 4.420 nan 0.000 0.217 322 P C 1.624 178.949 177.300 0.042 0.000 1.148 322 P CA 1.873 65.008 63.100 0.060 0.000 0.828 322 P CB -0.211 31.509 31.700 0.033 0.000 0.783 323 S N -1.231 114.485 115.700 0.027 0.000 2.607 323 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 323 S C 1.163 175.748 174.600 -0.025 0.000 0.969 323 S CA 0.437 58.636 58.200 -0.001 0.000 0.927 323 S CB -1.025 62.169 63.200 -0.011 0.000 0.772 323 S HN 0.267 nan 8.310 nan 0.000 0.533 324 M N -2.042 117.543 119.600 -0.025 0.000 4.202 324 M HA 0.467 4.947 4.480 -0.000 0.000 0.547 324 M C 0.538 176.793 176.300 -0.075 0.000 1.902 324 M CA -0.408 54.825 55.300 -0.113 0.000 0.619 324 M CB -0.376 32.071 32.600 -0.255 0.000 1.492 324 M HN 0.060 nan 8.290 nan 0.000 0.589 325 I N 2.629 123.260 120.570 0.102 0.000 2.264 325 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 325 I C 1.488 177.734 176.117 0.214 0.000 1.111 325 I CA 2.154 63.607 61.300 0.254 0.000 1.382 325 I CB -0.012 38.089 38.000 0.167 0.000 1.060 325 I HN 0.383 nan 8.210 nan 0.000 0.418 326 D N -0.074 120.383 120.400 0.095 0.000 2.355 326 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 326 D C 1.430 177.740 176.300 0.018 0.000 1.004 326 D CA 0.455 54.501 54.000 0.077 0.000 0.880 326 D CB 0.083 40.925 40.800 0.070 0.000 0.911 326 D HN 0.409 nan 8.370 nan 0.000 0.528 327 E N -0.834 119.324 120.200 -0.069 0.000 2.463 327 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 327 E C 0.973 177.463 176.600 -0.184 0.000 1.041 327 E CA -0.144 56.151 56.400 -0.173 0.000 0.879 327 E CB -0.075 29.476 29.700 -0.247 0.000 0.997 327 E HN 0.341 nan 8.360 nan 0.000 0.478 328 Y N 0.152 120.438 120.300 -0.022 0.000 2.242 328 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 328 Y C -0.737 175.159 175.900 -0.007 0.000 1.137 328 Y CA 1.102 59.195 58.100 -0.011 0.000 1.181 328 Y CB -1.012 37.450 38.460 0.004 0.000 0.989 328 Y HN 0.207 nan 8.280 nan 0.000 0.527 329 P HA -0.199 nan 4.420 nan 0.000 0.215 329 P C 1.627 178.929 177.300 0.003 0.000 1.157 329 P CA 1.402 64.555 63.100 0.089 0.000 0.863 329 P CB 0.009 31.778 31.700 0.116 0.000 0.787 330 I N -1.188 119.375 120.570 -0.011 0.000 2.546 330 I HA -0.123 4.047 4.170 -0.000 0.000 0.255 330 I C 1.840 177.922 176.117 -0.059 0.000 1.163 330 I CA 0.967 62.240 61.300 -0.045 0.000 1.457 330 I CB -0.869 37.031 38.000 -0.167 0.000 1.092 330 I HN -0.201 nan 8.210 nan 0.000 0.434 331 L N 0.985 122.164 121.223 -0.073 0.000 2.056 331 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 331 L C 2.460 179.330 176.870 0.001 0.000 1.078 331 L CA 2.188 56.994 54.840 -0.058 0.000 0.749 331 L CB -1.213 40.777 42.059 -0.114 0.000 0.901 331 L HN 0.232 nan 8.230 nan 0.000 0.433 332 A N -1.135 121.701 122.820 0.026 0.000 1.933 332 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 332 A C 2.273 179.855 177.584 -0.002 0.000 1.175 332 A CA 1.910 53.968 52.037 0.035 0.000 0.628 332 A CB -1.053 17.985 19.000 0.062 0.000 0.814 332 A HN 0.317 nan 8.150 nan 0.000 0.444 333 V N -0.285 119.605 119.914 -0.040 0.000 2.358 333 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 333 V C 3.054 179.235 176.094 0.145 0.000 1.047 333 V CA 1.858 64.150 62.300 -0.013 0.000 1.035 333 V CB -1.117 30.657 31.823 -0.082 0.000 0.658 333 V HN 0.614 nan 8.190 nan 0.000 0.452 334 A N 0.033 122.920 122.820 0.112 0.000 1.902 334 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 334 A C 2.397 180.072 177.584 0.151 0.000 1.181 334 A CA 2.017 54.149 52.037 0.157 0.000 0.623 334 A CB -0.760 18.276 19.000 0.060 0.000 0.818 334 A HN 0.582 nan 8.150 nan 0.000 0.443 335 A N -0.243 122.618 122.820 0.069 0.000 2.019 335 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 335 A C 2.348 179.923 177.584 -0.014 0.000 1.164 335 A CA 1.755 53.813 52.037 0.035 0.000 0.644 335 A CB -0.807 18.207 19.000 0.024 0.000 0.805 335 A HN 1.089 nan 8.150 nan 0.000 0.449 336 A N -1.665 121.105 122.820 -0.084 0.000 2.125 336 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 336 A C 1.305 178.558 177.584 -0.551 0.000 1.156 336 A CA 1.045 52.882 52.037 -0.333 0.000 0.671 336 A CB -0.562 18.149 19.000 -0.482 0.000 0.794 336 A HN 0.516 nan 8.150 nan 0.000 0.459 337 F N -1.094 118.863 119.950 0.012 0.000 2.683 337 F HA 0.516 5.043 4.527 -0.000 0.000 0.306 337 F C 1.021 176.826 175.800 0.009 0.000 1.102 337 F CA -0.072 57.935 58.000 0.012 0.000 1.244 337 F CB 0.239 39.245 39.000 0.010 0.000 1.029 337 F HN 0.175 nan 8.300 nan 0.000 0.545 338 A N 0.160 123.049 122.820 0.115 0.000 2.295 338 A HA 0.543 4.863 4.320 -0.000 0.000 0.318 338 A C -0.241 177.370 177.584 0.045 0.000 1.134 338 A CA -0.441 51.642 52.037 0.077 0.000 0.827 338 A CB 0.537 19.570 19.000 0.056 0.000 1.136 338 A HN 0.131 nan 8.150 nan 0.000 0.493 339 E N 0.563 120.787 120.200 0.039 0.000 2.257 339 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 339 E C 0.739 177.350 176.600 0.018 0.000 1.049 339 E CA 1.516 57.932 56.400 0.027 0.000 0.876 339 E CB -0.078 29.638 29.700 0.026 0.000 1.035 339 E HN 1.709 nan 8.360 nan 0.000 0.419 340 G N 2.811 111.618 108.800 0.011 0.000 2.587 340 G HA2 0.104 4.064 3.960 -0.000 0.000 0.212 340 G HA3 0.104 4.064 3.960 -0.000 0.000 0.212 340 G C -0.555 174.348 174.900 0.006 0.000 1.327 340 G CA -0.487 44.618 45.100 0.008 0.000 0.898 340 G HN 0.976 nan 8.290 nan 0.000 0.551 341 A N -0.661 122.164 122.820 0.007 0.000 2.301 341 A HA 0.824 5.144 4.320 -0.000 0.000 0.312 341 A C 0.332 177.924 177.584 0.014 0.000 1.182 341 A CA 0.708 52.750 52.037 0.008 0.000 0.826 341 A CB 1.125 20.129 19.000 0.007 0.000 1.134 341 A HN 1.477 nan 8.150 nan 0.000 0.501 342 T N 1.986 116.551 114.554 0.018 0.000 2.779 342 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 342 T C -0.545 174.174 174.700 0.032 0.000 0.987 342 T CA -0.224 61.892 62.100 0.027 0.000 0.966 342 T CB 1.034 69.921 68.868 0.032 0.000 0.933 342 T HN 0.416 nan 8.240 nan 0.000 0.442 343 V N 5.283 125.218 119.914 0.035 0.000 2.409 343 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 343 V C -0.357 175.767 176.094 0.051 0.000 1.020 343 V CA -0.703 61.617 62.300 0.033 0.000 0.848 343 V CB 1.406 33.242 31.823 0.021 0.000 0.990 343 V HN 0.872 nan 8.190 nan 0.000 0.430 344 M N 6.362 125.992 119.600 0.050 0.000 2.142 344 M HA 0.507 4.987 4.480 -0.000 0.000 0.299 344 M C -0.447 175.841 176.300 -0.019 0.000 0.960 344 M CA -0.444 54.895 55.300 0.066 0.000 0.920 344 M CB 1.852 34.536 32.600 0.140 0.000 1.541 344 M HN 0.796 nan 8.290 nan 0.000 0.429 345 N N 1.041 119.728 118.700 -0.023 0.000 2.815 345 N HA 0.677 5.417 4.740 -0.000 0.000 0.315 345 N C 0.521 175.978 175.510 -0.087 0.000 1.320 345 N CA -0.103 52.913 53.050 -0.056 0.000 0.846 345 N CB 0.905 39.377 38.487 -0.025 0.000 1.344 345 N HN 0.782 nan 8.380 nan 0.000 0.593 346 G N -0.906 107.847 108.800 -0.077 0.000 2.221 346 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.265 346 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.265 346 G C 0.143 174.961 174.900 -0.137 0.000 1.041 346 G CA 0.566 45.620 45.100 -0.076 0.000 0.807 346 G HN 0.514 nan 8.290 nan 0.000 0.502 347 L N 0.385 121.500 121.223 -0.179 0.000 2.700 347 L HA 0.162 4.502 4.340 -0.000 0.000 0.234 347 L C 2.449 179.234 176.870 -0.141 0.000 1.156 347 L CA 0.441 55.134 54.840 -0.244 0.000 0.946 347 L CB -0.156 41.712 42.059 -0.319 0.000 1.216 347 L HN 0.493 nan 8.230 nan 0.000 0.493 348 E N 0.502 120.648 120.200 -0.091 0.000 2.130 348 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 348 E C 1.088 177.659 176.600 -0.047 0.000 0.998 348 E CA 1.371 57.736 56.400 -0.059 0.000 0.806 348 E CB -0.161 29.514 29.700 -0.042 0.000 0.738 348 E HN 0.471 nan 8.360 nan 0.000 0.459 349 E N 0.890 121.063 120.200 -0.044 0.000 2.265 349 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 349 E C 2.369 178.960 176.600 -0.015 0.000 0.996 349 E CA 0.432 56.820 56.400 -0.020 0.000 0.832 349 E CB -0.218 29.480 29.700 -0.003 0.000 0.756 349 E HN 0.427 nan 8.360 nan 0.000 0.491 350 L N 0.202 121.403 121.223 -0.037 0.000 2.191 350 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 350 L C 2.324 179.189 176.870 -0.009 0.000 1.103 350 L CA 0.900 55.730 54.840 -0.017 0.000 0.769 350 L CB -0.294 41.736 42.059 -0.048 0.000 0.908 350 L HN 0.007 nan 8.230 nan 0.000 0.438 351 R N -0.060 120.427 120.500 -0.023 0.000 2.316 351 R HA -0.040 4.300 4.340 -0.000 0.000 0.202 351 R C 1.321 177.612 176.300 -0.014 0.000 1.029 351 R CA 0.892 56.979 56.100 -0.022 0.000 1.018 351 R CB 0.014 30.296 30.300 -0.030 0.000 0.888 351 R HN 0.378 nan 8.270 nan 0.000 0.471 352 V N -2.242 117.670 119.914 -0.004 0.000 3.085 352 V HA 0.264 4.384 4.120 -0.000 0.000 0.345 352 V C 0.301 176.405 176.094 0.016 0.000 1.397 352 V CA -0.480 61.821 62.300 0.002 0.000 1.165 352 V CB -0.056 31.766 31.823 -0.002 0.000 1.153 352 V HN -0.102 nan 8.190 nan 0.000 0.495 353 K N 0.764 121.181 120.400 0.029 0.000 2.761 353 K HA 0.403 4.723 4.320 -0.000 0.000 0.286 353 K C 1.193 177.831 176.600 0.064 0.000 1.019 353 K CA -0.219 56.099 56.287 0.053 0.000 1.070 353 K CB 0.605 33.146 32.500 0.069 0.000 1.387 353 K HN 0.119 nan 8.250 nan 0.000 0.509 354 E N 0.758 121.017 120.200 0.098 0.000 2.147 354 E HA -0.165 4.184 4.350 -0.000 0.000 0.199 354 E C 0.557 177.215 176.600 0.096 0.000 1.005 354 E CA 1.601 58.069 56.400 0.113 0.000 0.810 354 E CB 0.015 29.822 29.700 0.178 0.000 0.736 354 E HN 0.548 nan 8.360 nan 0.000 0.460 355 S N -0.748 115.005 115.700 0.088 0.000 2.667 355 S HA 0.275 4.745 4.470 -0.000 0.000 0.292 355 S C -0.871 173.736 174.600 0.013 0.000 1.126 355 S CA -1.149 57.084 58.200 0.056 0.000 0.881 355 S CB 1.689 64.952 63.200 0.106 0.000 1.132 355 S HN -0.024 nan 8.310 nan 0.000 0.492 356 D N 0.168 120.538 120.400 -0.050 0.000 2.359 356 D HA 0.200 4.840 4.640 -0.000 0.000 0.250 356 D C 0.951 177.242 176.300 -0.015 0.000 1.264 356 D CA -0.119 53.856 54.000 -0.043 0.000 0.911 356 D CB 0.405 41.156 40.800 -0.081 0.000 1.056 356 D HN 0.543 nan 8.370 nan 0.000 0.499 357 R N 2.482 122.995 120.500 0.023 0.000 2.148 357 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 357 R C 1.740 178.074 176.300 0.057 0.000 1.103 357 R CA 0.453 56.589 56.100 0.060 0.000 0.983 357 R CB 0.007 30.355 30.300 0.079 0.000 0.874 357 R HN 0.374 nan 8.270 nan 0.000 0.451 358 L N 0.230 121.463 121.223 0.017 0.000 2.027 358 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 358 L C 2.232 179.113 176.870 0.019 0.000 1.074 358 L CA 1.876 56.721 54.840 0.008 0.000 0.745 358 L CB -0.837 41.204 42.059 -0.030 0.000 0.898 358 L HN 0.001 nan 8.230 nan 0.000 0.433 359 S N -0.861 114.837 115.700 -0.004 0.000 2.368 359 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 359 S C 2.133 176.741 174.600 0.014 0.000 1.029 359 S CA 1.138 59.330 58.200 -0.012 0.000 0.988 359 S CB -0.395 62.771 63.200 -0.056 0.000 0.838 359 S HN 0.615 nan 8.310 nan 0.000 0.462 360 A N 0.715 123.553 122.820 0.030 0.000 1.898 360 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 360 A C 2.334 180.000 177.584 0.138 0.000 1.181 360 A CA 1.664 53.759 52.037 0.098 0.000 0.620 360 A CB -0.960 18.133 19.000 0.154 0.000 0.819 360 A HN 0.446 nan 8.150 nan 0.000 0.442 361 V N -0.207 119.824 119.914 0.195 0.000 2.307 361 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 361 V C 3.075 179.318 176.094 0.248 0.000 1.045 361 V CA 1.871 64.366 62.300 0.325 0.000 1.024 361 V CB -1.167 30.799 31.823 0.239 0.000 0.651 361 V HN 0.611 nan 8.190 nan 0.000 0.449 362 A N 0.505 123.402 122.820 0.130 0.000 1.883 362 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 362 A C 2.040 179.659 177.584 0.059 0.000 1.186 362 A CA 2.256 54.344 52.037 0.086 0.000 0.624 362 A CB -0.739 18.288 19.000 0.044 0.000 0.822 362 A HN 0.596 nan 8.150 nan 0.000 0.444 363 N N 0.112 118.829 118.700 0.029 0.000 2.166 363 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 363 N C 1.815 177.275 175.510 -0.083 0.000 1.019 363 N CA 1.461 54.503 53.050 -0.013 0.000 0.856 363 N CB -0.856 37.628 38.487 -0.004 0.000 0.993 363 N HN 0.480 nan 8.380 nan 0.000 0.426 364 G N 1.103 109.793 108.800 -0.183 0.000 2.418 364 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 364 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 364 G C 1.671 176.452 174.900 -0.198 0.000 1.158 364 G CA 0.328 45.073 45.100 -0.591 0.000 0.771 364 G HN 0.219 nan 8.290 nan 0.000 0.545 365 L N -0.087 121.241 121.223 0.175 0.000 2.017 365 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 365 L C 2.994 179.914 176.870 0.083 0.000 1.073 365 L CA 1.367 56.348 54.840 0.235 0.000 0.745 365 L CB -0.304 41.871 42.059 0.194 0.000 0.894 365 L HN 0.171 nan 8.230 nan 0.000 0.432 366 K N -0.237 120.186 120.400 0.037 0.000 2.057 366 K HA -0.216 4.103 4.320 -0.000 0.000 0.207 366 K C 1.997 178.595 176.600 -0.003 0.000 1.049 366 K CA 1.181 57.475 56.287 0.011 0.000 0.931 366 K CB -0.338 32.164 32.500 0.004 0.000 0.714 366 K HN 0.066 nan 8.250 nan 0.000 0.440 367 L N 1.754 122.960 121.223 -0.028 0.000 2.127 367 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 367 L C 0.764 177.626 176.870 -0.014 0.000 1.089 367 L CA 1.726 56.542 54.840 -0.039 0.000 0.757 367 L CB -0.229 41.776 42.059 -0.091 0.000 0.899 367 L HN 0.165 nan 8.230 nan 0.000 0.434 368 N N -0.161 118.546 118.700 0.013 0.000 2.320 368 N HA 0.189 4.929 4.740 -0.000 0.000 0.237 368 N C 1.032 176.564 175.510 0.036 0.000 1.129 368 N CA 0.762 53.842 53.050 0.050 0.000 0.854 368 N CB 0.448 39.010 38.487 0.125 0.000 1.083 368 N HN 0.449 nan 8.380 nan 0.000 0.504 369 G N 0.108 108.918 108.800 0.016 0.000 2.148 369 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 369 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 369 G C 0.127 175.017 174.900 -0.016 0.000 0.981 369 G CA 0.138 45.239 45.100 0.001 0.000 0.670 369 G HN 0.212 nan 8.290 nan 0.000 0.528 370 V N 0.973 120.878 119.914 -0.015 0.000 2.546 370 V HA 0.441 4.561 4.120 -0.000 0.000 0.284 370 V C 0.463 176.545 176.094 -0.019 0.000 1.050 370 V CA -0.274 62.003 62.300 -0.038 0.000 0.981 370 V CB 1.770 33.571 31.823 -0.037 0.000 0.990 370 V HN 0.363 nan 8.190 nan 0.000 0.474 371 D N 4.294 124.677 120.400 -0.028 0.000 2.336 371 D HA 0.410 5.050 4.640 -0.000 0.000 0.249 371 D C -0.342 175.952 176.300 -0.009 0.000 1.213 371 D CA -0.110 53.881 54.000 -0.015 0.000 0.870 371 D CB 0.514 41.304 40.800 -0.017 0.000 1.076 371 D HN 0.813 nan 8.370 nan 0.000 0.483 372 C N 2.100 121.401 119.300 0.001 0.000 3.173 372 C HA 0.738 5.198 4.460 -0.000 0.000 0.310 372 C C -1.323 173.672 174.990 0.008 0.000 1.306 372 C CA -0.956 58.066 59.018 0.008 0.000 1.426 372 C CB 1.985 29.737 27.740 0.021 0.000 1.800 372 C HN 0.487 nan 8.230 nan 0.000 0.470 373 D N 1.519 121.924 120.400 0.008 0.000 2.481 373 D HA 0.349 4.989 4.640 -0.000 0.000 0.246 373 D C -0.937 175.365 176.300 0.004 0.000 1.109 373 D CA 0.202 54.205 54.000 0.004 0.000 0.845 373 D CB 2.041 42.842 40.800 0.001 0.000 1.160 373 D HN 0.795 nan 8.370 nan 0.000 0.534 374 E N 1.455 121.656 120.200 0.002 0.000 2.167 374 E HA 0.516 4.866 4.350 -0.000 0.000 0.284 374 E C -0.237 176.357 176.600 -0.009 0.000 1.016 374 E CA -0.624 55.775 56.400 -0.002 0.000 0.817 374 E CB 1.080 30.781 29.700 0.001 0.000 1.080 374 E HN 0.514 nan 8.360 nan 0.000 0.397 375 G N 3.004 111.794 108.800 -0.016 0.000 2.552 375 G HA2 0.088 4.048 3.960 -0.000 0.000 0.324 375 G HA3 0.088 4.048 3.960 -0.000 0.000 0.324 375 G C 0.355 175.240 174.900 -0.025 0.000 1.217 375 G CA -0.362 44.726 45.100 -0.019 0.000 0.989 375 G HN 0.690 nan 8.290 nan 0.000 0.490 376 E N -0.887 119.298 120.200 -0.025 0.000 2.118 376 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 376 E C 1.590 178.167 176.600 -0.038 0.000 0.992 376 E CA 1.767 58.150 56.400 -0.028 0.000 0.804 376 E CB 0.011 29.696 29.700 -0.024 0.000 0.741 376 E HN 0.521 nan 8.360 nan 0.000 0.458 377 T N -2.025 112.503 114.554 -0.043 0.000 3.516 377 T HA 0.267 4.617 4.350 -0.000 0.000 0.300 377 T C -0.236 174.418 174.700 -0.077 0.000 0.995 377 T CA -0.287 61.777 62.100 -0.061 0.000 0.982 377 T CB 0.341 69.177 68.868 -0.054 0.000 1.199 377 T HN 0.084 nan 8.240 nan 0.000 0.481 378 S N 0.655 116.315 115.700 -0.066 0.000 2.615 378 S HA 0.836 5.306 4.470 -0.000 0.000 0.269 378 S C -1.979 172.593 174.600 -0.046 0.000 1.161 378 S CA -0.993 57.167 58.200 -0.065 0.000 0.817 378 S CB 2.141 65.317 63.200 -0.041 0.000 1.131 378 S HN 0.478 nan 8.310 nan 0.000 0.467 379 L N 1.092 122.295 121.223 -0.033 0.000 2.464 379 L HA 0.811 5.151 4.340 -0.000 0.000 0.266 379 L C -1.773 175.104 176.870 0.011 0.000 0.965 379 L CA -0.381 54.456 54.840 -0.005 0.000 0.833 379 L CB 2.054 44.118 42.059 0.008 0.000 1.296 379 L HN 0.760 nan 8.230 nan 0.000 0.405 380 V N 5.181 125.102 119.914 0.012 0.000 2.495 380 V HA 0.708 4.827 4.120 -0.000 0.000 0.298 380 V C -0.680 175.423 176.094 0.015 0.000 1.031 380 V CA -0.652 61.656 62.300 0.014 0.000 0.871 380 V CB 1.922 33.750 31.823 0.007 0.000 0.988 380 V HN 0.522 nan 8.190 nan 0.000 0.432 381 V N 5.520 125.443 119.914 0.015 0.000 2.531 381 V HA 0.549 4.669 4.120 -0.000 0.000 0.301 381 V C -0.185 175.906 176.094 -0.005 0.000 1.034 381 V CA -0.800 61.504 62.300 0.006 0.000 0.865 381 V CB 2.099 33.928 31.823 0.010 0.000 0.995 381 V HN 0.814 nan 8.190 nan 0.000 0.424 382 R N 2.265 122.755 120.500 -0.016 0.000 2.338 382 R HA 0.674 5.014 4.340 -0.000 0.000 0.317 382 R C 0.337 176.610 176.300 -0.044 0.000 0.968 382 R CA -0.332 55.756 56.100 -0.020 0.000 0.849 382 R CB 2.059 32.350 30.300 -0.015 0.000 1.128 382 R HN 0.911 nan 8.270 nan 0.000 0.448 383 G N 0.989 109.764 108.800 -0.041 0.000 2.511 383 G HA2 0.390 4.350 3.960 -0.000 0.000 0.316 383 G HA3 0.390 4.350 3.960 -0.000 0.000 0.316 383 G C -0.886 173.979 174.900 -0.059 0.000 1.210 383 G CA -0.464 44.591 45.100 -0.076 0.000 0.969 383 G HN 0.358 nan 8.290 nan 0.000 0.492 384 R N 0.954 121.400 120.500 -0.090 0.000 2.415 384 R HA 0.430 4.770 4.340 -0.000 0.000 0.292 384 R C -2.025 174.315 176.300 0.067 0.000 1.295 384 R CA -1.757 54.328 56.100 -0.025 0.000 1.137 384 R CB 1.474 31.744 30.300 -0.049 0.000 1.135 384 R HN 0.198 nan 8.270 nan 0.000 0.560 385 P HA -0.193 nan 4.420 nan 0.000 0.217 385 P C 0.113 177.525 177.300 0.186 0.000 1.151 385 P CA 1.493 64.688 63.100 0.158 0.000 0.849 385 P CB 0.232 31.987 31.700 0.092 0.000 0.787 386 D N -2.331 118.149 120.400 0.134 0.000 2.349 386 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 386 D C 1.454 177.854 176.300 0.168 0.000 1.029 386 D CA 0.750 54.822 54.000 0.119 0.000 0.879 386 D CB -1.171 39.672 40.800 0.072 0.000 0.906 386 D HN 0.214 nan 8.370 nan 0.000 0.528 387 G N 0.220 109.183 108.800 0.271 0.000 2.196 387 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.268 387 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.268 387 G C 0.195 175.205 174.900 0.183 0.000 0.975 387 G CA 0.383 45.701 45.100 0.363 0.000 0.648 387 G HN 0.485 nan 8.290 nan 0.000 0.538 388 K N 0.018 120.485 120.400 0.111 0.000 2.448 388 K HA 0.402 4.722 4.320 -0.000 0.000 0.278 388 K C 1.537 178.168 176.600 0.052 0.000 1.009 388 K CA 0.735 57.065 56.287 0.071 0.000 0.995 388 K CB 0.493 33.024 32.500 0.051 0.000 0.917 388 K HN 1.204 nan 8.250 nan 0.000 0.481 389 G N 1.922 110.749 108.800 0.047 0.000 2.184 389 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 389 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 389 G C 0.132 175.051 174.900 0.031 0.000 0.975 389 G CA -0.035 45.084 45.100 0.032 0.000 0.642 389 G HN 0.433 nan 8.290 nan 0.000 0.536 390 L N 0.122 121.374 121.223 0.049 0.000 2.399 390 L HA 0.664 5.004 4.340 -0.000 0.000 0.265 390 L C 1.309 178.234 176.870 0.090 0.000 1.089 390 L CA 0.124 54.993 54.840 0.048 0.000 0.802 390 L CB 1.129 43.197 42.059 0.015 0.000 1.180 390 L HN 1.172 nan 8.230 nan 0.000 0.454 391 G N 1.525 110.382 108.800 0.096 0.000 2.627 391 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.214 391 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.214 391 G C -0.996 173.944 174.900 0.067 0.000 1.331 391 G CA -0.593 44.572 45.100 0.107 0.000 0.891 391 G HN 0.721 nan 8.290 nan 0.000 0.539 392 N N 0.334 119.068 118.700 0.056 0.000 2.577 392 N HA 0.506 5.246 4.740 -0.000 0.000 0.275 392 N C 1.044 176.571 175.510 0.029 0.000 1.091 392 N CA 0.522 53.592 53.050 0.033 0.000 0.843 392 N CB 1.448 39.947 38.487 0.019 0.000 1.295 392 N HN 1.227 nan 8.380 nan 0.000 0.530 393 A N 2.128 124.963 122.820 0.026 0.000 1.972 393 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 393 A C 1.921 179.514 177.584 0.015 0.000 1.169 393 A CA 2.039 54.089 52.037 0.022 0.000 0.635 393 A CB -0.353 18.659 19.000 0.020 0.000 0.810 393 A HN 0.710 nan 8.150 nan 0.000 0.446 394 S N -1.676 114.030 115.700 0.011 0.000 2.561 394 S HA 0.321 4.791 4.470 -0.000 0.000 0.225 394 S C 1.446 176.049 174.600 0.004 0.000 0.977 394 S CA 1.163 59.367 58.200 0.006 0.000 0.926 394 S CB -0.479 62.722 63.200 0.002 0.000 0.769 394 S HN 1.961 nan 8.310 nan 0.000 0.533 395 G N 0.654 109.458 108.800 0.007 0.000 2.143 395 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.249 395 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.249 395 G C 0.245 175.143 174.900 -0.004 0.000 0.981 395 G CA -0.031 45.072 45.100 0.005 0.000 0.665 395 G HN 1.349 nan 8.290 nan 0.000 0.528 396 A N -0.084 122.731 122.820 -0.009 0.000 2.511 396 A HA 0.708 5.028 4.320 -0.000 0.000 0.242 396 A C 0.945 178.509 177.584 -0.033 0.000 1.069 396 A CA 1.121 53.145 52.037 -0.022 0.000 0.763 396 A CB 0.428 19.414 19.000 -0.024 0.000 1.001 396 A HN 2.111 nan 8.150 nan 0.000 0.498 397 A N 2.656 125.449 122.820 -0.045 0.000 2.309 397 A HA 0.551 4.871 4.320 -0.000 0.000 0.298 397 A C 0.118 177.638 177.584 -0.106 0.000 1.165 397 A CA -0.467 51.533 52.037 -0.062 0.000 0.821 397 A CB 0.380 19.347 19.000 -0.054 0.000 1.102 397 A HN 1.020 nan 8.150 nan 0.000 0.500 398 V N 2.165 121.992 119.914 -0.145 0.000 2.585 398 V HA 0.299 4.419 4.120 -0.000 0.000 0.296 398 V C 1.084 177.057 176.094 -0.202 0.000 1.035 398 V CA 0.342 62.492 62.300 -0.250 0.000 1.084 398 V CB 0.792 32.355 31.823 -0.434 0.000 0.953 398 V HN 1.039 nan 8.190 nan 0.000 0.483 399 A N 3.873 126.568 122.820 -0.210 0.000 2.396 399 A HA 0.414 4.734 4.320 -0.000 0.000 0.279 399 A C 1.287 178.727 177.584 -0.239 0.000 1.165 399 A CA 0.273 52.142 52.037 -0.279 0.000 0.824 399 A CB 0.194 18.976 19.000 -0.362 0.000 1.100 399 A HN 1.068 nan 8.150 nan 0.000 0.516 400 T N -0.703 113.730 114.554 -0.201 0.000 3.067 400 T HA 0.020 4.370 4.350 -0.000 0.000 0.257 400 T C 0.690 175.410 174.700 0.033 0.000 1.105 400 T CA 0.814 62.884 62.100 -0.049 0.000 1.104 400 T CB -0.416 68.438 68.868 -0.024 0.000 0.925 400 T HN 0.820 nan 8.240 nan 0.000 0.498 401 H N 1.694 120.769 119.070 0.008 0.000 2.655 401 H HA -0.135 4.421 4.556 -0.000 0.000 0.313 401 H C 0.689 176.037 175.328 0.034 0.000 1.141 401 H CA 0.950 57.009 56.048 0.018 0.000 1.138 401 H CB -2.207 27.567 29.762 0.019 0.000 1.446 401 H HN 0.539 nan 8.280 nan 0.000 0.415 402 L N -1.240 120.031 121.223 0.079 0.000 4.001 402 L HA -0.247 4.093 4.340 -0.000 0.000 0.413 402 L C 0.376 177.317 176.870 0.118 0.000 1.185 402 L CA 1.289 56.176 54.840 0.079 0.000 0.963 402 L CB -0.703 41.401 42.059 0.076 0.000 1.976 402 L HN 0.338 nan 8.230 nan 0.000 0.939 403 D N -0.137 120.345 120.400 0.136 0.000 2.460 403 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 403 D C 1.579 177.970 176.300 0.151 0.000 1.079 403 D CA -0.275 53.834 54.000 0.183 0.000 0.864 403 D CB 0.677 41.569 40.800 0.154 0.000 1.048 403 D HN 0.300 nan 8.370 nan 0.000 0.523 404 H N 4.365 123.439 119.070 0.007 0.000 2.394 404 H HA -0.137 4.419 4.556 -0.000 0.000 0.297 404 H C 0.994 176.261 175.328 -0.103 0.000 1.113 404 H CA 1.162 57.173 56.048 -0.062 0.000 1.277 404 H CB -0.077 29.660 29.762 -0.043 0.000 1.370 404 H HN 0.380 nan 8.280 nan 0.000 0.506 405 R N -0.060 120.111 120.500 -0.549 0.000 2.148 405 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 405 R C 2.381 178.645 176.300 -0.060 0.000 1.088 405 R CA 0.765 56.688 56.100 -0.296 0.000 0.985 405 R CB 0.175 30.376 30.300 -0.166 0.000 0.880 405 R HN 0.283 nan 8.270 nan 0.000 0.451 406 I N 0.806 121.388 120.570 0.020 0.000 2.286 406 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 406 I C 2.523 178.744 176.117 0.172 0.000 1.104 406 I CA 1.082 62.492 61.300 0.183 0.000 1.397 406 I CB -1.344 36.776 38.000 0.200 0.000 1.072 406 I HN 0.082 nan 8.210 nan 0.000 0.417 407 A N 0.863 123.689 122.820 0.009 0.000 1.865 407 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 407 A C 2.397 179.863 177.584 -0.197 0.000 1.191 407 A CA 1.798 53.800 52.037 -0.058 0.000 0.623 407 A CB -0.613 18.316 19.000 -0.119 0.000 0.826 407 A HN 0.339 nan 8.150 nan 0.000 0.444 408 M N -0.430 118.868 119.600 -0.503 0.000 2.175 408 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 408 M C 2.412 178.480 176.300 -0.387 0.000 1.063 408 M CA 1.605 56.368 55.300 -0.895 0.000 1.119 408 M CB -0.353 31.117 32.600 -1.884 0.000 1.377 408 M HN 0.424 nan 8.290 nan 0.000 0.415 409 S N 0.207 115.824 115.700 -0.138 0.000 2.368 409 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 409 S C 1.572 176.073 174.600 -0.164 0.000 1.030 409 S CA 1.286 59.498 58.200 0.020 0.000 0.999 409 S CB -0.357 62.811 63.200 -0.053 0.000 0.844 409 S HN 0.344 nan 8.310 nan 0.000 0.459 410 F N 1.342 121.329 119.950 0.062 0.000 2.325 410 F HA 0.137 4.664 4.527 -0.000 0.000 0.299 410 F C 1.892 177.739 175.800 0.078 0.000 1.090 410 F CA 0.468 58.512 58.000 0.074 0.000 1.392 410 F CB -0.363 38.664 39.000 0.045 0.000 1.053 410 F HN 0.110 nan 8.300 nan 0.000 0.521 411 L N -0.944 120.380 121.223 0.169 0.000 2.093 411 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 411 L C 2.328 179.295 176.870 0.161 0.000 1.085 411 L CA 0.597 55.533 54.840 0.161 0.000 0.755 411 L CB -0.665 41.501 42.059 0.178 0.000 0.904 411 L HN -0.039 nan 8.230 nan 0.000 0.435 412 V N -0.249 119.765 119.914 0.167 0.000 2.343 412 V HA -0.361 3.759 4.120 -0.000 0.000 0.247 412 V C 2.448 178.598 176.094 0.093 0.000 1.051 412 V CA 1.984 64.371 62.300 0.146 0.000 1.036 412 V CB -0.366 31.578 31.823 0.201 0.000 0.654 412 V HN 0.468 nan 8.190 nan 0.000 0.451 413 M N 0.534 120.202 119.600 0.112 0.000 2.108 413 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 413 M C 1.970 178.382 176.300 0.187 0.000 1.066 413 M CA 2.325 57.742 55.300 0.195 0.000 1.107 413 M CB -0.578 32.157 32.600 0.225 0.000 1.356 413 M HN 0.404 nan 8.290 nan 0.000 0.406 414 G N 0.155 109.050 108.800 0.157 0.000 2.498 414 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 414 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 414 G C 1.280 176.218 174.900 0.064 0.000 1.119 414 G CA 0.438 45.612 45.100 0.124 0.000 0.766 414 G HN 0.495 nan 8.290 nan 0.000 0.552 415 L N 0.116 121.357 121.223 0.030 0.000 2.478 415 L HA 0.072 4.412 4.340 -0.000 0.000 0.223 415 L C 2.063 178.891 176.870 -0.070 0.000 1.140 415 L CA 0.028 54.858 54.840 -0.018 0.000 0.842 415 L CB 0.152 42.194 42.059 -0.029 0.000 0.953 415 L HN 0.129 nan 8.230 nan 0.000 0.452 416 V N -2.776 117.072 119.914 -0.110 0.000 3.219 416 V HA 0.067 4.187 4.120 -0.000 0.000 0.240 416 V C 1.267 177.302 176.094 -0.099 0.000 1.222 416 V CA 0.390 62.524 62.300 -0.277 0.000 1.181 416 V CB 0.415 31.735 31.823 -0.838 0.000 0.941 416 V HN 0.400 nan 8.190 nan 0.000 0.471 417 S N 0.665 116.451 115.700 0.142 0.000 2.573 417 S HA 0.045 4.515 4.470 -0.000 0.000 0.277 417 S C 1.077 175.769 174.600 0.153 0.000 1.346 417 S CA 0.358 58.736 58.200 0.297 0.000 1.034 417 S CB 1.178 64.569 63.200 0.319 0.000 0.879 417 S HN 0.530 nan 8.310 nan 0.000 0.528 418 E N 1.767 122.056 120.200 0.147 0.000 2.085 418 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 418 E C -0.044 176.599 176.600 0.072 0.000 0.994 418 E CA 0.933 57.387 56.400 0.090 0.000 0.801 418 E CB 0.029 29.777 29.700 0.079 0.000 0.743 418 E HN 0.684 nan 8.360 nan 0.000 0.453 419 N N 1.063 119.812 118.700 0.080 0.000 2.456 419 N HA 0.278 5.018 4.740 -0.000 0.000 0.296 419 N C -2.617 172.938 175.510 0.076 0.000 1.102 419 N CA -1.646 51.443 53.050 0.065 0.000 0.924 419 N CB 1.399 39.919 38.487 0.055 0.000 1.186 419 N HN -0.033 nan 8.380 nan 0.000 0.492 420 P HA 0.082 nan 4.420 nan 0.000 0.270 420 P C -0.507 176.840 177.300 0.079 0.000 1.223 420 P CA -0.171 62.967 63.100 0.064 0.000 0.785 420 P CB 0.704 32.431 31.700 0.045 0.000 0.923 421 V N 1.992 121.963 119.914 0.095 0.000 2.495 421 V HA 0.405 4.525 4.120 -0.000 0.000 0.298 421 V C 0.069 176.215 176.094 0.088 0.000 1.031 421 V CA -0.190 62.180 62.300 0.115 0.000 0.871 421 V CB 1.892 33.831 31.823 0.194 0.000 0.988 421 V HN 0.493 nan 8.190 nan 0.000 0.432 422 T N 4.173 118.761 114.554 0.057 0.000 2.829 422 T HA 0.616 4.966 4.350 -0.000 0.000 0.280 422 T C -0.377 174.331 174.700 0.012 0.000 0.999 422 T CA -0.430 61.689 62.100 0.031 0.000 0.983 422 T CB 1.675 70.549 68.868 0.009 0.000 0.968 422 T HN 0.688 nan 8.240 nan 0.000 0.446 423 V N 0.721 120.644 119.914 0.014 0.000 2.630 423 V HA 0.536 4.656 4.120 -0.000 0.000 0.305 423 V C 0.864 176.939 176.094 -0.032 0.000 1.046 423 V CA -0.906 61.386 62.300 -0.012 0.000 0.934 423 V CB 1.632 33.464 31.823 0.015 0.000 1.003 423 V HN 0.832 nan 8.190 nan 0.000 0.451 424 D N 0.676 121.041 120.400 -0.059 0.000 2.348 424 D HA 0.041 4.681 4.640 -0.000 0.000 0.216 424 D C 0.147 176.419 176.300 -0.046 0.000 0.970 424 D CA 0.923 54.887 54.000 -0.059 0.000 0.889 424 D CB 0.104 40.851 40.800 -0.088 0.000 0.912 424 D HN 0.770 nan 8.370 nan 0.000 0.524 425 D N -1.672 118.704 120.400 -0.040 0.000 2.878 425 D HA 0.497 5.137 4.640 -0.000 0.000 0.211 425 D C -0.686 175.597 176.300 -0.028 0.000 1.271 425 D CA -0.480 53.502 54.000 -0.030 0.000 0.845 425 D CB 1.571 42.351 40.800 -0.032 0.000 1.679 425 D HN -0.100 nan 8.370 nan 0.000 0.536 426 A N 2.135 124.940 122.820 -0.024 0.000 2.431 426 A HA 0.158 4.478 4.320 -0.000 0.000 0.239 426 A C 1.645 179.212 177.584 -0.027 0.000 1.230 426 A CA 0.844 52.859 52.037 -0.036 0.000 0.928 426 A CB -0.245 18.744 19.000 -0.019 0.000 1.006 426 A HN 0.609 nan 8.150 nan 0.000 0.520 427 T N -2.467 112.079 114.554 -0.014 0.000 2.929 427 T HA -0.093 4.257 4.350 -0.000 0.000 0.271 427 T C 1.512 176.210 174.700 -0.003 0.000 1.085 427 T CA 1.261 63.358 62.100 -0.005 0.000 1.125 427 T CB -0.383 68.484 68.868 -0.002 0.000 0.874 427 T HN 0.183 nan 8.240 nan 0.000 0.494 428 M N 0.265 119.864 119.600 -0.001 0.000 2.556 428 M HA 0.403 4.883 4.480 -0.000 0.000 0.245 428 M C 1.916 178.224 176.300 0.014 0.000 1.128 428 M CA -0.109 55.197 55.300 0.009 0.000 1.069 428 M CB -0.869 31.752 32.600 0.035 0.000 1.469 428 M HN 0.339 nan 8.290 nan 0.000 0.494 429 I N 0.559 121.122 120.570 -0.012 0.000 2.335 429 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 429 I C 2.247 178.379 176.117 0.025 0.000 1.129 429 I CA 1.083 62.360 61.300 -0.038 0.000 1.402 429 I CB -0.429 37.458 38.000 -0.189 0.000 1.069 429 I HN 0.215 nan 8.210 nan 0.000 0.424 430 A N 0.686 123.519 122.820 0.020 0.000 2.248 430 A HA -0.134 4.185 4.320 -0.000 0.000 0.210 430 A C 2.296 179.890 177.584 0.016 0.000 1.174 430 A CA 1.604 53.667 52.037 0.044 0.000 0.750 430 A CB -0.974 18.048 19.000 0.036 0.000 0.780 430 A HN 0.558 nan 8.150 nan 0.000 0.478 431 T N -2.402 112.126 114.554 -0.042 0.000 2.867 431 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 431 T C 1.678 176.318 174.700 -0.100 0.000 1.057 431 T CA 1.945 63.981 62.100 -0.107 0.000 1.136 431 T CB -0.347 68.384 68.868 -0.229 0.000 0.874 431 T HN 0.801 nan 8.240 nan 0.000 0.466 432 S N -1.039 114.641 115.700 -0.034 0.000 2.649 432 S HA 0.377 4.847 4.470 -0.000 0.000 0.246 432 S C 0.142 174.865 174.600 0.206 0.000 1.057 432 S CA -0.881 57.361 58.200 0.070 0.000 1.051 432 S CB -0.107 63.203 63.200 0.183 0.000 1.018 432 S HN 0.541 nan 8.310 nan 0.000 0.569 433 F N 2.762 122.751 119.950 0.065 0.000 2.824 433 F HA 0.368 4.895 4.527 -0.000 0.000 0.368 433 F C -2.423 173.439 175.800 0.105 0.000 1.398 433 F CA -2.016 56.047 58.000 0.106 0.000 1.142 433 F CB 1.583 40.675 39.000 0.153 0.000 1.997 433 F HN -0.014 nan 8.300 nan 0.000 0.598 434 P HA -0.174 nan 4.420 nan 0.000 0.221 434 P C 0.624 178.034 177.300 0.183 0.000 1.145 434 P CA 1.393 64.603 63.100 0.184 0.000 0.795 434 P CB 0.292 32.069 31.700 0.127 0.000 0.775 435 E N -1.426 118.960 120.200 0.309 0.000 2.482 435 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 435 E C 1.506 178.129 176.600 0.038 0.000 1.047 435 E CA 0.055 56.594 56.400 0.231 0.000 0.869 435 E CB -1.019 28.889 29.700 0.347 0.000 0.836 435 E HN 0.183 nan 8.360 nan 0.000 0.520 436 F N 1.294 120.949 119.950 -0.492 0.000 2.045 436 F HA -0.368 4.159 4.527 -0.000 0.000 0.297 436 F C 1.877 177.423 175.800 -0.422 0.000 1.114 436 F CA 1.734 59.145 58.000 -0.982 0.000 1.207 436 F CB -0.084 38.270 39.000 -1.076 0.000 0.964 436 F HN 0.027 nan 8.300 nan 0.000 0.486 437 M N 0.175 119.681 119.600 -0.158 0.000 2.080 437 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 437 M C 1.926 178.104 176.300 -0.204 0.000 1.068 437 M CA 1.751 56.941 55.300 -0.184 0.000 1.109 437 M CB -1.467 31.124 32.600 -0.016 0.000 1.342 437 M HN 0.187 nan 8.290 nan 0.000 0.405 438 D N 0.377 120.706 120.400 -0.117 0.000 2.117 438 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 438 D C 2.177 178.417 176.300 -0.100 0.000 0.987 438 D CA 0.878 54.832 54.000 -0.078 0.000 0.829 438 D CB -0.405 40.382 40.800 -0.020 0.000 0.961 438 D HN 0.314 nan 8.370 nan 0.000 0.460 439 L N 0.169 121.324 121.223 -0.115 0.000 2.017 439 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 439 L C 2.248 179.018 176.870 -0.166 0.000 1.073 439 L CA 1.188 55.979 54.840 -0.082 0.000 0.745 439 L CB -0.102 41.972 42.059 0.025 0.000 0.894 439 L HN -0.067 nan 8.230 nan 0.000 0.432 440 M N -0.393 118.996 119.600 -0.353 0.000 2.117 440 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 440 M C 2.516 178.688 176.300 -0.213 0.000 1.065 440 M CA 1.779 56.865 55.300 -0.357 0.000 1.114 440 M CB -1.624 30.581 32.600 -0.659 0.000 1.361 440 M HN 0.466 nan 8.290 nan 0.000 0.408 441 A N 0.370 123.076 122.820 -0.190 0.000 1.902 441 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 441 A C 2.445 179.982 177.584 -0.080 0.000 1.181 441 A CA 1.963 53.931 52.037 -0.114 0.000 0.623 441 A CB -1.465 17.480 19.000 -0.092 0.000 0.818 441 A HN 0.518 nan 8.150 nan 0.000 0.443 442 G N -0.369 108.387 108.800 -0.073 0.000 2.432 442 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 442 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 442 G C 1.409 176.284 174.900 -0.042 0.000 1.135 442 G CA 0.968 46.041 45.100 -0.046 0.000 0.767 442 G HN 0.455 nan 8.290 nan 0.000 0.550 443 L N -0.169 121.021 121.223 -0.054 0.000 2.478 443 L HA 0.241 4.581 4.340 -0.000 0.000 0.223 443 L C 2.108 178.951 176.870 -0.045 0.000 1.140 443 L CA 0.657 55.471 54.840 -0.045 0.000 0.842 443 L CB 0.130 42.160 42.059 -0.048 0.000 0.953 443 L HN 0.424 nan 8.230 nan 0.000 0.452 444 G N -0.737 108.031 108.800 -0.053 0.000 2.205 444 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.180 444 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.180 444 G C 0.367 175.235 174.900 -0.052 0.000 1.004 444 G CA -0.202 44.870 45.100 -0.045 0.000 0.670 444 G HN 0.396 nan 8.290 nan 0.000 0.496 445 A N 0.445 123.222 122.820 -0.072 0.000 2.462 445 A HA 0.595 4.915 4.320 -0.000 0.000 0.243 445 A C 0.455 178.001 177.584 -0.063 0.000 1.076 445 A CA 0.513 52.505 52.037 -0.075 0.000 0.773 445 A CB 0.239 19.170 19.000 -0.116 0.000 1.010 445 A HN 0.378 nan 8.150 nan 0.000 0.493 446 K N 2.325 122.699 120.400 -0.042 0.000 2.347 446 K HA 0.516 4.836 4.320 -0.000 0.000 0.262 446 K C -1.287 175.302 176.600 -0.018 0.000 1.052 446 K CA 0.323 56.593 56.287 -0.029 0.000 0.946 446 K CB 0.872 33.362 32.500 -0.017 0.000 1.220 446 K HN 0.599 nan 8.250 nan 0.000 0.450 447 I N 3.025 123.581 120.570 -0.022 0.000 2.439 447 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 447 I C -0.334 175.784 176.117 0.002 0.000 1.021 447 I CA -0.911 60.388 61.300 -0.001 0.000 1.091 447 I CB 1.747 39.748 38.000 0.002 0.000 1.242 447 I HN 0.356 nan 8.210 nan 0.000 0.439 448 E N 6.289 126.495 120.200 0.011 0.000 2.109 448 E HA 0.335 4.685 4.350 -0.000 0.000 0.278 448 E C -0.846 175.762 176.600 0.013 0.000 0.954 448 E CA -0.958 55.447 56.400 0.008 0.000 0.779 448 E CB 2.554 32.259 29.700 0.007 0.000 1.093 448 E HN 0.307 nan 8.360 nan 0.000 0.401 449 L N 3.099 124.328 121.223 0.010 0.000 2.290 449 L HA 0.120 4.460 4.340 -0.000 0.000 0.284 449 L C 0.582 177.455 176.870 0.006 0.000 1.078 449 L CA -0.033 54.813 54.840 0.011 0.000 0.815 449 L CB 0.694 42.759 42.059 0.011 0.000 1.162 449 L HN 0.546 nan 8.230 nan 0.000 0.435 450 S N 0.000 115.703 115.700 0.005 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.201 58.200 0.002 0.000 1.107 450 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517