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 2ggd_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAGTGCRL 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 0.000 174.598 174.600 -0.003 0.000 1.055 6 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 6 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 7 S N 1.942 117.637 115.700 -0.007 0.000 2.537 7 S HA 0.796 5.266 4.470 -0.000 0.000 0.301 7 S C -0.969 173.626 174.600 -0.009 0.000 1.092 7 S CA -0.695 57.499 58.200 -0.011 0.000 1.048 7 S CB 1.168 64.356 63.200 -0.020 0.000 1.053 7 S HN 0.328 nan 8.310 nan 0.000 0.501 8 R N 2.693 123.188 120.500 -0.009 0.000 2.472 8 R HA 0.373 4.713 4.340 -0.000 0.000 0.294 8 R C -2.934 173.362 176.300 -0.007 0.000 1.243 8 R CA -2.334 53.763 56.100 -0.005 0.000 1.023 8 R CB 0.896 31.195 30.300 -0.001 0.000 1.157 8 R HN 0.429 nan 8.270 nan 0.000 0.530 9 P HA 0.283 nan 4.420 nan 0.000 0.272 9 P C -0.806 176.494 177.300 0.001 0.000 1.240 9 P CA -0.317 62.778 63.100 -0.008 0.000 0.791 9 P CB 1.101 32.794 31.700 -0.012 0.000 0.978 10 A N 0.871 123.696 122.820 0.008 0.000 2.539 10 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 10 A C -0.871 176.729 177.584 0.027 0.000 1.073 10 A CA -0.414 51.635 52.037 0.019 0.000 0.700 10 A CB 1.247 20.265 19.000 0.030 0.000 1.296 10 A HN 0.415 nan 8.150 nan 0.000 0.405 11 T N 1.167 115.738 114.554 0.029 0.000 2.848 11 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 11 T C -0.248 174.475 174.700 0.039 0.000 0.995 11 T CA 0.112 62.233 62.100 0.034 0.000 0.970 11 T CB 1.589 70.472 68.868 0.024 0.000 0.976 11 T HN 1.383 nan 8.240 nan 0.000 0.441 12 A N 3.623 126.475 122.820 0.053 0.000 2.317 12 A HA 0.830 5.150 4.320 -0.000 0.000 0.327 12 A C -0.133 177.476 177.584 0.042 0.000 1.178 12 A CA -0.792 51.274 52.037 0.048 0.000 0.817 12 A CB 0.760 19.803 19.000 0.071 0.000 1.189 12 A HN 0.813 nan 8.150 nan 0.000 0.489 13 R N 1.103 121.617 120.500 0.023 0.000 2.778 13 R HA 0.409 4.749 4.340 -0.000 0.000 0.277 13 R C -0.349 175.957 176.300 0.010 0.000 0.977 13 R CA -0.932 55.180 56.100 0.020 0.000 0.950 13 R CB 1.835 32.142 30.300 0.012 0.000 1.165 13 R HN 0.773 nan 8.270 nan 0.000 0.474 14 K N 1.262 121.670 120.400 0.013 0.000 2.491 14 K HA 0.014 4.334 4.320 -0.000 0.000 0.279 14 K C -0.731 175.862 176.600 -0.011 0.000 1.026 14 K CA 0.703 56.991 56.287 0.001 0.000 1.070 14 K CB 0.402 32.908 32.500 0.010 0.000 0.887 14 K HN 0.492 nan 8.250 nan 0.000 0.481 15 S N 1.578 117.262 115.700 -0.026 0.000 2.648 15 S HA 0.335 4.805 4.470 -0.000 0.000 0.305 15 S C -0.744 173.838 174.600 -0.030 0.000 1.094 15 S CA -0.947 57.236 58.200 -0.028 0.000 0.983 15 S CB 1.953 65.131 63.200 -0.036 0.000 1.101 15 S HN 0.611 nan 8.310 nan 0.000 0.514 16 S N 0.765 116.450 115.700 -0.026 0.000 2.645 16 S HA 0.507 4.977 4.470 -0.000 0.000 0.266 16 S C 0.854 175.436 174.600 -0.030 0.000 1.258 16 S CA -0.611 57.574 58.200 -0.024 0.000 0.990 16 S CB 0.233 63.421 63.200 -0.019 0.000 0.967 16 S HN 0.921 nan 8.310 nan 0.000 0.556 17 G N 0.848 109.632 108.800 -0.027 0.000 2.187 17 G HA2 0.160 4.120 3.960 -0.000 0.000 0.239 17 G HA3 0.160 4.120 3.960 -0.000 0.000 0.239 17 G C -0.309 174.574 174.900 -0.029 0.000 1.200 17 G CA -0.141 44.942 45.100 -0.028 0.000 0.888 17 G HN 0.531 nan 8.290 nan 0.000 0.482 18 L N 1.556 122.760 121.223 -0.032 0.000 2.371 18 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 18 L C 0.726 177.582 176.870 -0.023 0.000 1.124 18 L CA -0.163 54.658 54.840 -0.031 0.000 0.816 18 L CB 1.421 43.461 42.059 -0.033 0.000 1.129 18 L HN 0.555 nan 8.230 nan 0.000 0.448 19 S N 1.133 116.821 115.700 -0.021 0.000 2.566 19 S HA 0.852 5.322 4.470 -0.000 0.000 0.273 19 S C -0.605 173.987 174.600 -0.013 0.000 1.157 19 S CA 0.180 58.371 58.200 -0.015 0.000 0.938 19 S CB 1.667 64.859 63.200 -0.014 0.000 1.087 19 S HN 1.082 nan 8.310 nan 0.000 0.474 20 G N 1.879 110.674 108.800 -0.008 0.000 2.359 20 G HA2 0.374 4.334 3.960 -0.000 0.000 0.293 20 G HA3 0.374 4.334 3.960 -0.000 0.000 0.293 20 G C -1.415 173.485 174.900 0.000 0.000 1.300 20 G CA -0.303 44.794 45.100 -0.005 0.000 0.888 20 G HN 0.876 nan 8.290 nan 0.000 0.541 21 T N 0.253 114.810 114.554 0.003 0.000 2.928 21 T HA 0.708 5.058 4.350 -0.000 0.000 0.296 21 T C -0.294 174.413 174.700 0.012 0.000 1.000 21 T CA 0.058 62.162 62.100 0.007 0.000 0.989 21 T CB 1.334 70.205 68.868 0.005 0.000 1.005 21 T HN 1.808 nan 8.240 nan 0.000 0.442 22 V N 1.309 121.235 119.914 0.019 0.000 2.925 22 V HA 0.714 4.834 4.120 -0.000 0.000 0.311 22 V C -0.775 175.336 176.094 0.029 0.000 1.104 22 V CA -1.509 60.809 62.300 0.029 0.000 0.954 22 V CB 2.032 33.883 31.823 0.047 0.000 1.022 22 V HN 0.758 nan 8.190 nan 0.000 0.427 23 R N 2.251 122.769 120.500 0.030 0.000 2.254 23 R HA 0.598 4.938 4.340 -0.000 0.000 0.318 23 R C -0.605 175.709 176.300 0.024 0.000 1.031 23 R CA -0.558 55.554 56.100 0.019 0.000 0.905 23 R CB 1.626 31.936 30.300 0.016 0.000 1.050 23 R HN 0.771 nan 8.270 nan 0.000 0.456 24 I N 4.520 125.088 120.570 -0.003 0.000 2.581 24 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 24 I C -2.045 174.021 176.117 -0.085 0.000 1.047 24 I CA -2.413 58.861 61.300 -0.042 0.000 1.374 24 I CB 0.850 38.805 38.000 -0.076 0.000 1.423 24 I HN 0.476 nan 8.210 nan 0.000 0.549 25 P HA 0.201 nan 4.420 nan 0.000 0.271 25 P C -0.514 176.695 177.300 -0.153 0.000 1.233 25 P CA -0.295 62.727 63.100 -0.130 0.000 0.789 25 P CB 0.257 31.863 31.700 -0.157 0.000 0.951 26 G N 0.125 108.852 108.800 -0.121 0.000 2.630 26 G HA2 0.058 4.018 3.960 -0.000 0.000 0.236 26 G HA3 0.058 4.018 3.960 -0.000 0.000 0.236 26 G C -0.397 174.402 174.900 -0.168 0.000 1.248 26 G CA -0.165 44.854 45.100 -0.136 0.000 0.844 26 G HN 0.502 nan 8.290 nan 0.000 0.588 27 D N -0.398 119.903 120.400 -0.166 0.000 2.417 27 D HA 0.052 4.692 4.640 -0.000 0.000 0.250 27 D C 1.441 177.617 176.300 -0.207 0.000 1.166 27 D CA -0.029 53.865 54.000 -0.177 0.000 0.881 27 D CB 0.953 41.636 40.800 -0.196 0.000 1.164 27 D HN 0.401 nan 8.370 nan 0.000 0.467 28 K N 1.744 122.043 120.400 -0.169 0.000 2.025 28 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 28 K C 1.762 178.279 176.600 -0.138 0.000 1.049 28 K CA 1.151 57.324 56.287 -0.189 0.000 0.933 28 K CB 0.053 32.500 32.500 -0.088 0.000 0.714 28 K HN 0.367 nan 8.250 nan 0.000 0.438 29 S N 0.918 116.577 115.700 -0.067 0.000 2.359 29 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 29 S C 1.880 176.383 174.600 -0.161 0.000 1.035 29 S CA 1.492 59.676 58.200 -0.026 0.000 1.018 29 S CB -0.242 62.949 63.200 -0.014 0.000 0.876 29 S HN 0.280 nan 8.310 nan 0.000 0.448 30 I N 1.124 121.494 120.570 -0.334 0.000 2.315 30 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 30 I C 2.350 178.315 176.117 -0.255 0.000 1.117 30 I CA 0.722 61.840 61.300 -0.303 0.000 1.404 30 I CB -0.299 37.514 38.000 -0.312 0.000 1.071 30 I HN 0.200 nan 8.210 nan 0.000 0.419 31 S N -0.459 115.064 115.700 -0.296 0.000 2.368 31 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 31 S C 1.981 176.331 174.600 -0.415 0.000 1.030 31 S CA 0.990 58.941 58.200 -0.414 0.000 0.999 31 S CB -0.423 62.483 63.200 -0.490 0.000 0.844 31 S HN 0.443 nan 8.310 nan 0.000 0.459 32 H N 1.467 120.369 119.070 -0.280 0.000 2.319 32 H HA -0.008 4.548 4.556 -0.000 0.000 0.297 32 H C 2.365 177.543 175.328 -0.249 0.000 1.097 32 H CA 1.544 57.478 56.048 -0.189 0.000 1.285 32 H CB -0.194 29.495 29.762 -0.120 0.000 1.368 32 H HN 0.320 nan 8.280 nan 0.000 0.495 33 R N 0.141 120.493 120.500 -0.247 0.000 2.148 33 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 33 R C 2.643 178.544 176.300 -0.665 0.000 1.103 33 R CA 1.015 56.680 56.100 -0.725 0.000 0.983 33 R CB 0.039 29.839 30.300 -0.833 0.000 0.874 33 R HN 0.120 nan 8.270 nan 0.000 0.451 34 S N 0.402 115.922 115.700 -0.299 0.000 2.368 34 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 34 S C 1.450 176.098 174.600 0.080 0.000 1.030 34 S CA 1.015 59.167 58.200 -0.081 0.000 0.999 34 S CB -0.191 62.946 63.200 -0.104 0.000 0.844 34 S HN 0.163 nan 8.310 nan 0.000 0.459 35 F N 1.683 121.558 119.950 -0.126 0.000 2.146 35 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 35 F C 2.254 178.029 175.800 -0.042 0.000 1.096 35 F CA 0.446 58.399 58.000 -0.077 0.000 1.275 35 F CB -0.964 37.970 39.000 -0.109 0.000 1.008 35 F HN 0.186 nan 8.300 nan 0.000 0.480 36 M N -1.562 118.092 119.600 0.090 0.000 2.099 36 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 36 M C 2.137 178.549 176.300 0.187 0.000 1.067 36 M CA 1.496 56.847 55.300 0.084 0.000 1.124 36 M CB -0.578 32.030 32.600 0.014 0.000 1.353 36 M HN -0.051 nan 8.290 nan 0.000 0.410 37 F N 0.093 119.963 119.950 -0.133 0.000 2.206 37 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 37 F C 2.589 178.223 175.800 -0.276 0.000 1.090 37 F CA 0.944 58.683 58.000 -0.434 0.000 1.323 37 F CB -1.994 36.402 39.000 -1.008 0.000 1.028 37 F HN 0.142 nan 8.300 nan 0.000 0.492 38 G N -0.023 108.900 108.800 0.205 0.000 2.422 38 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 38 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 38 G C 2.040 177.078 174.900 0.231 0.000 1.146 38 G CA 0.829 46.141 45.100 0.352 0.000 0.769 38 G HN 0.489 nan 8.290 nan 0.000 0.547 39 G N 0.355 109.252 108.800 0.162 0.000 2.443 39 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.219 39 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.219 39 G C 1.655 176.616 174.900 0.101 0.000 1.131 39 G CA 0.936 46.096 45.100 0.101 0.000 0.775 39 G HN 0.404 nan 8.290 nan 0.000 0.547 40 L N 0.738 122.031 121.223 0.117 0.000 2.249 40 L HA 0.570 4.910 4.340 -0.000 0.000 0.207 40 L C 1.915 178.854 176.870 0.116 0.000 1.090 40 L CA 0.679 55.581 54.840 0.104 0.000 0.802 40 L CB -0.469 41.645 42.059 0.091 0.000 0.947 40 L HN 0.181 nan 8.230 nan 0.000 0.453 41 A N -0.579 122.334 122.820 0.155 0.000 2.386 41 A HA 0.375 4.695 4.320 -0.000 0.000 0.246 41 A C 0.507 178.194 177.584 0.172 0.000 1.089 41 A CA 0.043 52.206 52.037 0.211 0.000 0.790 41 A CB -0.168 19.091 19.000 0.431 0.000 1.042 41 A HN 0.333 nan 8.150 nan 0.000 0.497 42 S N 0.089 115.880 115.700 0.152 0.000 2.545 42 S HA 0.560 5.030 4.470 -0.000 0.000 0.275 42 S C 0.810 175.475 174.600 0.108 0.000 1.299 42 S CA 0.424 58.690 58.200 0.110 0.000 1.048 42 S CB 0.468 63.721 63.200 0.087 0.000 0.938 42 S HN 2.191 nan 8.310 nan 0.000 0.496 43 G N 2.549 111.403 108.800 0.090 0.000 2.632 43 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.224 43 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.224 43 G C -0.555 174.402 174.900 0.095 0.000 1.341 43 G CA -0.345 44.802 45.100 0.079 0.000 0.880 43 G HN 0.751 nan 8.290 nan 0.000 0.566 44 E N -0.340 119.908 120.200 0.080 0.000 2.249 44 E HA 0.601 4.951 4.350 -0.000 0.000 0.280 44 E C -0.439 176.222 176.600 0.101 0.000 1.016 44 E CA -0.189 56.265 56.400 0.089 0.000 0.830 44 E CB 0.888 30.627 29.700 0.065 0.000 1.081 44 E HN 0.471 nan 8.360 nan 0.000 0.395 45 T N 4.236 118.875 114.554 0.142 0.000 2.841 45 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 45 T C -0.755 174.039 174.700 0.158 0.000 1.000 45 T CA -0.687 61.510 62.100 0.160 0.000 0.977 45 T CB 0.950 69.992 68.868 0.290 0.000 0.979 45 T HN 0.395 nan 8.240 nan 0.000 0.446 46 R N 2.561 123.136 120.500 0.125 0.000 2.480 46 R HA 0.660 5.000 4.340 -0.000 0.000 0.306 46 R C -0.952 175.431 176.300 0.138 0.000 0.958 46 R CA -0.678 55.499 56.100 0.129 0.000 0.861 46 R CB 1.713 32.061 30.300 0.079 0.000 1.171 46 R HN 0.510 nan 8.270 nan 0.000 0.445 47 I N 2.035 122.718 120.570 0.187 0.000 2.436 47 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 47 I C 0.117 176.334 176.117 0.166 0.000 1.010 47 I CA -0.720 60.677 61.300 0.162 0.000 1.098 47 I CB 2.289 40.389 38.000 0.166 0.000 1.266 47 I HN 0.611 nan 8.210 nan 0.000 0.434 48 T N 0.791 115.405 114.554 0.100 0.000 2.885 48 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 48 T C 0.789 175.522 174.700 0.055 0.000 1.019 48 T CA -0.090 62.064 62.100 0.090 0.000 1.010 48 T CB 1.794 70.696 68.868 0.056 0.000 1.022 48 T HN 1.090 nan 8.240 nan 0.000 0.466 49 G N 0.763 109.598 108.800 0.059 0.000 2.143 49 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.249 49 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.249 49 G C -0.037 174.845 174.900 -0.029 0.000 0.981 49 G CA 0.079 45.188 45.100 0.015 0.000 0.665 49 G HN 1.096 nan 8.290 nan 0.000 0.528 50 L N 0.581 121.786 121.223 -0.029 0.000 2.525 50 L HA 0.506 4.846 4.340 -0.000 0.000 0.278 50 L C 0.842 177.597 176.870 -0.193 0.000 1.218 50 L CA -0.455 54.264 54.840 -0.202 0.000 0.878 50 L CB 0.504 42.321 42.059 -0.403 0.000 1.127 50 L HN 0.322 nan 8.230 nan 0.000 0.492 51 L N 4.972 126.029 121.223 -0.276 0.000 2.360 51 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 51 L C 0.478 177.200 176.870 -0.246 0.000 1.121 51 L CA 0.691 55.401 54.840 -0.217 0.000 0.845 51 L CB 0.419 42.333 42.059 -0.241 0.000 1.143 51 L HN 0.746 nan 8.230 nan 0.000 0.452 52 E N 4.062 124.198 120.200 -0.106 0.000 2.411 52 E HA 0.238 4.588 4.350 -0.000 0.000 0.204 52 E C 0.485 177.070 176.600 -0.026 0.000 1.059 52 E CA -0.206 56.158 56.400 -0.059 0.000 1.112 52 E CB 0.346 30.106 29.700 0.100 0.000 1.168 52 E HN 0.907 nan 8.360 nan 0.000 0.445 53 G N 0.726 109.487 108.800 -0.065 0.000 2.572 53 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.261 53 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.261 53 G C 0.592 175.465 174.900 -0.044 0.000 1.197 53 G CA -0.375 44.707 45.100 -0.030 0.000 0.870 53 G HN 0.144 nan 8.290 nan 0.000 0.548 54 E N -0.056 120.134 120.200 -0.018 0.000 2.118 54 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 54 E C 1.665 178.266 176.600 0.000 0.000 0.992 54 E CA 1.349 57.745 56.400 -0.005 0.000 0.804 54 E CB 0.063 29.765 29.700 0.003 0.000 0.741 54 E HN 0.467 nan 8.360 nan 0.000 0.458 55 D N 0.197 120.591 120.400 -0.010 0.000 2.104 55 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 55 D C 2.010 178.355 176.300 0.075 0.000 0.994 55 D CA 0.878 54.924 54.000 0.078 0.000 0.830 55 D CB -0.180 40.674 40.800 0.090 0.000 0.959 55 D HN 0.018 nan 8.370 nan 0.000 0.452 56 V N 1.069 120.875 119.914 -0.180 0.000 2.453 56 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 56 V C 2.331 178.438 176.094 0.022 0.000 1.048 56 V CA 0.784 62.919 62.300 -0.275 0.000 1.049 56 V CB -0.204 31.318 31.823 -0.501 0.000 0.672 56 V HN 0.184 nan 8.190 nan 0.000 0.457 57 I N 0.870 121.446 120.570 0.009 0.000 2.286 57 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 57 I C 2.293 178.432 176.117 0.037 0.000 1.115 57 I CA 1.418 62.756 61.300 0.064 0.000 1.392 57 I CB -1.500 36.519 38.000 0.031 0.000 1.065 57 I HN 0.385 nan 8.210 nan 0.000 0.418 58 N N 0.510 119.227 118.700 0.028 0.000 2.166 58 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 58 N C 1.824 177.286 175.510 -0.080 0.000 1.019 58 N CA 1.603 54.622 53.050 -0.053 0.000 0.856 58 N CB -0.424 38.043 38.487 -0.033 0.000 0.993 58 N HN 0.338 nan 8.380 nan 0.000 0.426 59 T N 0.046 114.694 114.554 0.155 0.000 2.777 59 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 59 T C 1.895 176.649 174.700 0.090 0.000 1.040 59 T CA 1.355 63.614 62.100 0.266 0.000 1.141 59 T CB -0.593 68.579 68.868 0.507 0.000 0.868 59 T HN 0.382 nan 8.240 nan 0.000 0.444 60 G N 1.652 110.475 108.800 0.040 0.000 2.418 60 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 60 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 60 G C 1.596 176.295 174.900 -0.335 0.000 1.158 60 G CA 0.674 45.464 45.100 -0.516 0.000 0.771 60 G HN 0.434 nan 8.290 nan 0.000 0.545 61 K N 0.534 120.806 120.400 -0.214 0.000 2.148 61 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 61 K C 2.884 179.362 176.600 -0.203 0.000 1.050 61 K CA 0.854 57.028 56.287 -0.189 0.000 0.942 61 K CB -0.141 32.262 32.500 -0.161 0.000 0.724 61 K HN 0.282 nan 8.250 nan 0.000 0.446 62 A N 1.095 123.773 122.820 -0.236 0.000 1.930 62 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 62 A C 2.075 179.590 177.584 -0.115 0.000 1.175 62 A CA 1.181 53.082 52.037 -0.226 0.000 0.627 62 A CB -0.250 18.576 19.000 -0.289 0.000 0.815 62 A HN 0.095 nan 8.150 nan 0.000 0.443 63 M N -0.356 119.189 119.600 -0.092 0.000 2.175 63 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 63 M C 2.184 178.423 176.300 -0.102 0.000 1.063 63 M CA 1.344 56.600 55.300 -0.072 0.000 1.119 63 M CB -1.561 30.996 32.600 -0.072 0.000 1.377 63 M HN 0.527 nan 8.290 nan 0.000 0.415 64 Q N -0.094 119.623 119.800 -0.139 0.000 2.124 64 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 64 Q C 2.114 178.050 176.000 -0.107 0.000 0.977 64 Q CA 1.698 57.431 55.803 -0.117 0.000 0.850 64 Q CB -0.335 28.329 28.738 -0.122 0.000 0.901 64 Q HN 0.582 nan 8.270 nan 0.000 0.429 65 A N 0.364 123.110 122.820 -0.124 0.000 2.125 65 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 65 A C 1.672 179.173 177.584 -0.138 0.000 1.156 65 A CA 1.094 53.052 52.037 -0.132 0.000 0.671 65 A CB -0.218 18.690 19.000 -0.154 0.000 0.794 65 A HN 0.308 nan 8.150 nan 0.000 0.459 66 M N -1.636 117.891 119.600 -0.122 0.000 2.475 66 M HA 0.277 4.757 4.480 -0.000 0.000 0.283 66 M C 1.127 177.371 176.300 -0.094 0.000 1.165 66 M CA 0.664 55.886 55.300 -0.130 0.000 0.976 66 M CB 0.765 33.300 32.600 -0.108 0.000 1.428 66 M HN 0.538 nan 8.290 nan 0.000 0.495 67 G N 0.512 109.265 108.800 -0.077 0.000 2.231 67 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.206 67 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.206 67 G C 0.173 175.056 174.900 -0.028 0.000 0.996 67 G CA -0.154 44.917 45.100 -0.048 0.000 0.645 67 G HN 0.613 nan 8.290 nan 0.000 0.498 68 A N 0.460 123.261 122.820 -0.032 0.000 2.371 68 A HA 0.753 5.073 4.320 -0.000 0.000 0.257 68 A C 0.563 178.131 177.584 -0.027 0.000 1.089 68 A CA 0.058 52.085 52.037 -0.016 0.000 0.794 68 A CB 0.313 19.299 19.000 -0.022 0.000 1.029 68 A HN 0.450 nan 8.150 nan 0.000 0.488 69 R N 1.363 121.861 120.500 -0.003 0.000 2.265 69 R HA 0.555 4.895 4.340 -0.000 0.000 0.328 69 R C -1.204 175.105 176.300 0.016 0.000 0.969 69 R CA -0.038 56.062 56.100 -0.000 0.000 0.832 69 R CB 1.123 31.430 30.300 0.012 0.000 1.139 69 R HN 0.669 nan 8.270 nan 0.000 0.457 70 I N 4.035 124.608 120.570 0.005 0.000 2.465 70 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 70 I C -0.078 176.113 176.117 0.124 0.000 1.014 70 I CA -0.884 60.450 61.300 0.057 0.000 1.093 70 I CB 1.743 39.681 38.000 -0.103 0.000 1.267 70 I HN 0.589 nan 8.210 nan 0.000 0.431 71 R N 4.039 124.643 120.500 0.174 0.000 2.710 71 R HA 0.587 4.927 4.340 -0.000 0.000 0.270 71 R C -1.645 174.565 176.300 -0.149 0.000 1.021 71 R CA -1.184 54.934 56.100 0.031 0.000 0.889 71 R CB 2.159 32.450 30.300 -0.015 0.000 1.243 71 R HN 0.415 nan 8.270 nan 0.000 0.464 72 K N 1.379 121.483 120.400 -0.494 0.000 2.307 72 K HA 0.195 4.515 4.320 -0.000 0.000 0.263 72 K C -1.273 175.078 176.600 -0.415 0.000 0.973 72 K CA -0.423 55.368 56.287 -0.826 0.000 0.846 72 K CB 1.780 33.390 32.500 -1.482 0.000 1.100 72 K HN 0.695 nan 8.250 nan 0.000 0.438 73 E N 3.537 123.566 120.200 -0.286 0.000 2.114 73 E HA 0.307 4.657 4.350 -0.000 0.000 0.266 73 E C 0.244 176.756 176.600 -0.146 0.000 0.896 73 E CA -0.016 56.286 56.400 -0.164 0.000 0.750 73 E CB 1.034 30.678 29.700 -0.093 0.000 1.121 73 E HN 0.911 nan 8.360 nan 0.000 0.413 74 G N 4.912 113.635 108.800 -0.127 0.000 2.591 74 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.298 74 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.298 74 G C 0.345 175.178 174.900 -0.112 0.000 1.195 74 G CA 0.416 45.461 45.100 -0.092 0.000 0.989 74 G HN 0.687 nan 8.290 nan 0.000 0.551 75 D N 1.421 121.779 120.400 -0.069 0.000 2.368 75 D HA 0.304 4.944 4.640 -0.000 0.000 0.218 75 D C 0.513 176.801 176.300 -0.021 0.000 1.112 75 D CA 0.799 54.773 54.000 -0.044 0.000 0.834 75 D CB 0.386 41.187 40.800 0.001 0.000 0.953 75 D HN 0.325 nan 8.370 nan 0.000 0.505 76 T N 0.309 114.825 114.554 -0.063 0.000 2.797 76 T HA 0.288 4.638 4.350 -0.000 0.000 0.279 76 T C -0.413 174.267 174.700 -0.032 0.000 0.991 76 T CA -0.591 61.519 62.100 0.017 0.000 0.979 76 T CB 1.308 70.192 68.868 0.027 0.000 0.943 76 T HN -0.049 nan 8.240 nan 0.000 0.444 77 W N 2.988 124.332 121.300 0.073 0.000 2.351 77 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 77 W C -0.173 176.417 176.519 0.118 0.000 1.168 77 W CA -0.726 56.694 57.345 0.125 0.000 1.200 77 W CB 0.463 30.055 29.460 0.221 0.000 1.221 77 W HN 0.413 nan 8.180 nan 0.000 0.519 78 I N 5.261 125.994 120.570 0.271 0.000 2.433 78 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 78 I C -0.336 175.901 176.117 0.201 0.000 1.001 78 I CA -0.909 60.504 61.300 0.189 0.000 1.119 78 I CB 1.118 39.173 38.000 0.092 0.000 1.289 78 I HN 0.141 nan 8.210 nan 0.000 0.438 79 I N 4.718 125.403 120.570 0.191 0.000 2.498 79 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 79 I C -1.023 175.170 176.117 0.126 0.000 1.032 79 I CA -0.692 60.705 61.300 0.161 0.000 1.073 79 I CB 2.139 40.258 38.000 0.198 0.000 1.251 79 I HN 0.435 nan 8.210 nan 0.000 0.426 80 D N 5.686 126.140 120.400 0.091 0.000 2.427 80 D HA 0.320 4.960 4.640 -0.000 0.000 0.226 80 D C 0.218 176.565 176.300 0.078 0.000 1.076 80 D CA -0.017 54.030 54.000 0.078 0.000 0.849 80 D CB 2.191 43.023 40.800 0.054 0.000 1.052 80 D HN 0.710 nan 8.370 nan 0.000 0.515 81 G N 0.113 108.974 108.800 0.101 0.000 2.537 81 G HA2 0.312 4.272 3.960 -0.000 0.000 0.273 81 G HA3 0.312 4.272 3.960 -0.000 0.000 0.273 81 G C 1.245 176.194 174.900 0.082 0.000 1.189 81 G CA -0.589 44.573 45.100 0.103 0.000 0.881 81 G HN 0.311 nan 8.290 nan 0.000 0.535 82 V N -1.673 118.288 119.914 0.078 0.000 3.506 82 V HA 0.545 4.665 4.120 -0.000 0.000 0.263 82 V C 1.142 177.288 176.094 0.086 0.000 1.203 82 V CA 0.536 62.879 62.300 0.071 0.000 1.133 82 V CB -1.141 30.718 31.823 0.061 0.000 0.802 82 V HN 2.145 nan 8.190 nan 0.000 0.459 83 G N 1.145 110.003 108.800 0.098 0.000 2.785 83 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 83 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 83 G C -0.581 174.386 174.900 0.112 0.000 1.155 83 G CA -0.181 44.978 45.100 0.098 0.000 0.760 83 G HN 0.772 nan 8.290 nan 0.000 0.624 84 N N 0.781 119.541 118.700 0.100 0.000 2.412 84 N HA 0.469 5.209 4.740 -0.000 0.000 0.258 84 N C 1.670 177.257 175.510 0.128 0.000 1.236 84 N CA 2.017 55.131 53.050 0.107 0.000 0.882 84 N CB 0.560 39.083 38.487 0.060 0.000 1.066 84 N HN 2.235 nan 8.380 nan 0.000 0.465 85 G N 1.771 110.702 108.800 0.218 0.000 2.176 85 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 85 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 85 G C 0.749 175.851 174.900 0.337 0.000 0.979 85 G CA 0.437 45.662 45.100 0.207 0.000 0.641 85 G HN 0.878 nan 8.290 nan 0.000 0.530 86 G N -0.141 108.830 108.800 0.285 0.000 3.189 86 G HA2 0.504 4.464 3.960 -0.000 0.000 0.225 86 G HA3 0.504 4.464 3.960 -0.000 0.000 0.225 86 G C 0.750 175.756 174.900 0.177 0.000 1.159 86 G CA -0.158 45.069 45.100 0.212 0.000 0.763 86 G HN 0.546 nan 8.290 nan 0.000 0.549 87 L N 1.149 122.460 121.223 0.147 0.000 2.485 87 L HA 0.229 4.569 4.340 -0.000 0.000 0.275 87 L C 0.218 177.126 176.870 0.062 0.000 1.207 87 L CA -0.011 54.806 54.840 -0.038 0.000 0.855 87 L CB 0.844 42.669 42.059 -0.391 0.000 1.114 87 L HN -0.005 nan 8.230 nan 0.000 0.485 88 L N 2.585 123.763 121.223 -0.074 0.000 2.334 88 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 88 L C 0.477 176.961 176.870 -0.644 0.000 1.036 88 L CA -0.787 53.929 54.840 -0.207 0.000 0.807 88 L CB 1.460 43.430 42.059 -0.149 0.000 1.231 88 L HN 0.670 nan 8.230 nan 0.000 0.438 89 A N 3.962 126.153 122.820 -1.049 0.000 2.524 89 A HA 0.338 4.658 4.320 -0.000 0.000 0.250 89 A C -2.075 175.120 177.584 -0.647 0.000 1.078 89 A CA -0.808 50.346 52.037 -1.473 0.000 0.761 89 A CB -0.777 17.621 19.000 -1.004 0.000 1.012 89 A HN 0.452 nan 8.150 nan 0.000 0.500 90 P HA 0.138 nan 4.420 nan 0.000 0.275 90 P C 0.165 177.339 177.300 -0.209 0.000 1.227 90 P CA -0.083 62.851 63.100 -0.277 0.000 0.781 90 P CB 1.001 32.568 31.700 -0.222 0.000 0.906 91 E N 0.991 121.094 120.200 -0.162 0.000 2.107 91 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 91 E C 0.783 177.324 176.600 -0.098 0.000 0.982 91 E CA 0.822 57.151 56.400 -0.118 0.000 0.809 91 E CB 0.165 29.806 29.700 -0.098 0.000 0.756 91 E HN 0.604 nan 8.360 nan 0.000 0.459 92 A N 0.876 123.631 122.820 -0.108 0.000 2.486 92 A HA 0.556 4.876 4.320 -0.000 0.000 0.289 92 A C -2.606 174.908 177.584 -0.117 0.000 1.176 92 A CA -1.467 50.514 52.037 -0.094 0.000 0.757 92 A CB 0.564 19.514 19.000 -0.083 0.000 1.337 92 A HN -0.167 nan 8.150 nan 0.000 0.423 93 P HA 0.290 nan 4.420 nan 0.000 0.267 93 P C -1.033 176.161 177.300 -0.178 0.000 1.200 93 P CA 0.135 63.160 63.100 -0.124 0.000 0.772 93 P CB 0.253 31.915 31.700 -0.063 0.000 0.855 94 L N 2.686 123.751 121.223 -0.263 0.000 2.278 94 L HA 0.223 4.563 4.340 -0.000 0.000 0.287 94 L C 0.583 177.296 176.870 -0.262 0.000 1.072 94 L CA -0.244 54.397 54.840 -0.331 0.000 0.819 94 L CB 0.230 42.059 42.059 -0.383 0.000 1.176 94 L HN 0.305 nan 8.230 nan 0.000 0.435 95 D N 3.036 123.243 120.400 -0.323 0.000 2.396 95 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 95 D C 0.264 176.373 176.300 -0.317 0.000 1.121 95 D CA -0.218 53.668 54.000 -0.190 0.000 0.853 95 D CB 0.761 41.486 40.800 -0.126 0.000 1.043 95 D HN 0.252 nan 8.370 nan 0.000 0.500 96 F N 2.200 122.180 119.950 0.050 0.000 2.765 96 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 96 F C 2.107 177.938 175.800 0.052 0.000 1.111 96 F CA 0.440 58.478 58.000 0.064 0.000 1.359 96 F CB 0.147 39.204 39.000 0.095 0.000 1.097 96 F HN 0.627 nan 8.300 nan 0.000 0.577 97 G N 1.281 110.156 108.800 0.125 0.000 2.634 97 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.318 97 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.318 97 G C 1.166 176.134 174.900 0.113 0.000 1.207 97 G CA 0.678 45.833 45.100 0.091 0.000 0.987 97 G HN 0.389 nan 8.290 nan 0.000 0.547 98 N N 2.034 120.792 118.700 0.097 0.000 2.236 98 N HA 0.348 5.088 4.740 -0.000 0.000 0.196 98 N C 0.926 176.494 175.510 0.096 0.000 1.114 98 N CA 0.746 53.845 53.050 0.082 0.000 0.859 98 N CB 0.036 38.548 38.487 0.040 0.000 0.982 98 N HN 0.862 nan 8.380 nan 0.000 0.493 99 A N 0.214 123.125 122.820 0.152 0.000 2.527 99 A HA 0.464 4.784 4.320 -0.000 0.000 0.313 99 A C 1.298 178.910 177.584 0.047 0.000 1.410 99 A CA -0.407 51.719 52.037 0.148 0.000 1.060 99 A CB 0.153 19.324 19.000 0.285 0.000 1.137 99 A HN 0.295 nan 8.150 nan 0.000 0.542 100 G N 1.634 110.431 108.800 -0.005 0.000 2.402 100 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 100 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 100 G C 1.374 176.161 174.900 -0.188 0.000 1.162 100 G CA 1.650 46.702 45.100 -0.080 0.000 0.777 100 G HN 0.554 nan 8.290 nan 0.000 0.539 101 T N 1.018 115.443 114.554 -0.215 0.000 2.684 101 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 101 T C 2.489 176.891 174.700 -0.497 0.000 1.036 101 T CA 1.643 63.532 62.100 -0.351 0.000 1.148 101 T CB -0.655 67.951 68.868 -0.437 0.000 0.863 101 T HN 0.355 nan 8.240 nan 0.000 0.436 102 G N -0.136 108.298 108.800 -0.610 0.000 2.421 102 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 102 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 102 G C 2.002 176.399 174.900 -0.839 0.000 1.171 102 G CA 1.002 45.869 45.100 -0.389 0.000 0.775 102 G HN 0.581 nan 8.290 nan 0.000 0.543 103 C N 0.606 119.255 119.300 -1.084 0.000 2.413 103 C HA 0.010 4.470 4.460 -0.000 0.000 0.278 103 C C 3.059 177.644 174.990 -0.676 0.000 1.224 103 C CA 1.341 59.621 59.018 -1.229 0.000 1.732 103 C CB -0.880 26.527 27.740 -0.554 0.000 2.050 103 C HN 0.485 nan 8.230 nan 0.000 0.463 104 R N -0.163 120.073 120.500 -0.441 0.000 2.081 104 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 104 R C 1.983 178.121 176.300 -0.269 0.000 1.131 104 R CA 1.288 57.191 56.100 -0.328 0.000 0.960 104 R CB -0.584 29.583 30.300 -0.221 0.000 0.856 104 R HN 0.412 nan 8.270 nan 0.000 0.436 105 L N 0.265 121.350 121.223 -0.230 0.000 2.093 105 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 105 L C 2.290 179.115 176.870 -0.075 0.000 1.085 105 L CA 1.777 56.544 54.840 -0.121 0.000 0.755 105 L CB -0.680 41.328 42.059 -0.085 0.000 0.904 105 L HN 0.131 nan 8.230 nan 0.000 0.435 106 T N -1.214 113.277 114.554 -0.105 0.000 2.915 106 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 106 T C 1.942 176.704 174.700 0.105 0.000 1.071 106 T CA 1.047 63.204 62.100 0.095 0.000 1.132 106 T CB -0.157 68.888 68.868 0.295 0.000 0.878 106 T HN 0.207 nan 8.240 nan 0.000 0.479 107 M N 0.872 120.329 119.600 -0.238 0.000 2.117 107 M HA -0.021 4.459 4.480 -0.000 0.000 0.262 107 M C 2.722 178.938 176.300 -0.141 0.000 1.065 107 M CA 1.692 56.729 55.300 -0.439 0.000 1.114 107 M CB -0.594 31.585 32.600 -0.701 0.000 1.361 107 M HN 0.383 nan 8.290 nan 0.000 0.408 108 G N 0.169 108.901 108.800 -0.113 0.000 2.402 108 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 108 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 108 G C 1.390 176.307 174.900 0.028 0.000 1.162 108 G CA 0.479 45.545 45.100 -0.056 0.000 0.777 108 G HN 0.325 nan 8.290 nan 0.000 0.539 109 L N 1.307 122.573 121.223 0.071 0.000 2.012 109 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 109 L C 2.764 179.755 176.870 0.202 0.000 1.073 109 L CA 2.540 57.462 54.840 0.137 0.000 0.748 109 L CB -0.311 41.836 42.059 0.146 0.000 0.891 109 L HN 0.236 nan 8.230 nan 0.000 0.431 110 V N -3.980 116.046 119.914 0.188 0.000 3.565 110 V HA 0.374 4.493 4.120 -0.000 0.000 0.260 110 V C 2.172 178.374 176.094 0.180 0.000 1.231 110 V CA 0.648 63.053 62.300 0.174 0.000 1.100 110 V CB -0.913 31.019 31.823 0.183 0.000 0.807 110 V HN 0.336 nan 8.190 nan 0.000 0.454 111 G N 1.734 110.625 108.800 0.152 0.000 2.462 111 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.220 111 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.220 111 G C 1.433 176.345 174.900 0.020 0.000 1.121 111 G CA 1.692 46.840 45.100 0.081 0.000 0.758 111 G HN 1.018 nan 8.290 nan 0.000 0.559 112 V N -3.218 116.715 119.914 0.031 0.000 3.573 112 V HA 0.341 4.461 4.120 -0.000 0.000 0.270 112 V C 0.674 176.665 176.094 -0.171 0.000 1.221 112 V CA -0.725 61.537 62.300 -0.063 0.000 1.163 112 V CB -1.229 30.542 31.823 -0.088 0.000 0.847 112 V HN 0.152 nan 8.190 nan 0.000 0.468 113 Y N 0.769 120.869 120.300 -0.333 0.000 2.301 113 Y HA 0.464 5.014 4.550 -0.000 0.000 0.325 113 Y C 0.937 176.480 175.900 -0.594 0.000 1.203 113 Y CA -0.573 57.184 58.100 -0.570 0.000 1.255 113 Y CB 0.832 38.633 38.460 -1.099 0.000 1.232 113 Y HN 0.043 nan 8.280 nan 0.000 0.501 114 D N 3.639 123.866 120.400 -0.288 0.000 2.885 114 D HA 0.104 4.744 4.640 -0.000 0.000 0.234 114 D C -1.362 174.955 176.300 0.028 0.000 1.129 114 D CA 0.296 54.229 54.000 -0.112 0.000 0.991 114 D CB -1.186 39.595 40.800 -0.033 0.000 1.137 114 D HN 0.302 nan 8.370 nan 0.000 0.459 115 F N -1.813 118.204 119.950 0.112 0.000 2.741 115 F HA 0.486 5.013 4.527 -0.000 0.000 0.313 115 F C -0.772 175.072 175.800 0.074 0.000 1.153 115 F CA -1.613 56.434 58.000 0.079 0.000 0.931 115 F CB 0.429 39.471 39.000 0.070 0.000 1.335 115 F HN -0.350 nan 8.300 nan 0.000 0.460 116 D N 1.164 121.810 120.400 0.410 0.000 2.255 116 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 116 D C -0.661 175.823 176.300 0.307 0.000 1.078 116 D CA -0.033 54.131 54.000 0.274 0.000 0.896 116 D CB 1.697 42.588 40.800 0.151 0.000 1.194 116 D HN 0.770 nan 8.370 nan 0.000 0.429 117 S N -0.151 115.695 115.700 0.243 0.000 2.571 117 S HA 0.628 5.098 4.470 -0.000 0.000 0.284 117 S C -0.525 174.120 174.600 0.075 0.000 1.128 117 S CA -0.820 57.459 58.200 0.132 0.000 0.970 117 S CB 1.664 64.991 63.200 0.213 0.000 1.039 117 S HN 0.185 nan 8.310 nan 0.000 0.485 118 T N 3.080 117.571 114.554 -0.105 0.000 2.855 118 T HA 0.668 5.018 4.350 -0.000 0.000 0.281 118 T C -1.307 173.260 174.700 -0.222 0.000 1.007 118 T CA -0.286 61.806 62.100 -0.015 0.000 1.009 118 T CB 0.364 69.238 68.868 0.010 0.000 0.983 118 T HN 0.528 nan 8.240 nan 0.000 0.455 119 F N 3.434 123.447 119.950 0.104 0.000 2.493 119 F HA 0.683 5.210 4.527 -0.000 0.000 0.329 119 F C 0.308 176.182 175.800 0.123 0.000 1.126 119 F CA -1.170 56.924 58.000 0.157 0.000 0.937 119 F CB 1.132 40.210 39.000 0.130 0.000 1.146 119 F HN 0.432 nan 8.300 nan 0.000 0.442 120 I N -0.356 120.371 120.570 0.263 0.000 3.174 120 I HA 1.099 5.269 4.170 -0.000 0.000 0.313 120 I C -0.345 175.887 176.117 0.191 0.000 1.155 120 I CA -0.896 60.509 61.300 0.175 0.000 0.977 120 I CB 2.369 40.422 38.000 0.087 0.000 1.248 120 I HN 0.650 nan 8.210 nan 0.000 0.453 121 G N 1.246 110.127 108.800 0.136 0.000 2.634 121 G HA2 0.433 4.393 3.960 -0.000 0.000 0.309 121 G HA3 0.433 4.393 3.960 -0.000 0.000 0.309 121 G C -1.931 173.020 174.900 0.085 0.000 1.299 121 G CA -0.174 45.004 45.100 0.130 0.000 0.798 121 G HN 0.915 nan 8.290 nan 0.000 0.490 122 D N -0.641 119.806 120.400 0.079 0.000 2.447 122 D HA 0.511 5.151 4.640 -0.000 0.000 0.265 122 D C 1.689 178.022 176.300 0.056 0.000 1.250 122 D CA 0.351 54.386 54.000 0.059 0.000 1.046 122 D CB 0.591 41.423 40.800 0.054 0.000 1.095 122 D HN 0.669 nan 8.370 nan 0.000 0.555 123 A N -0.475 122.375 122.820 0.049 0.000 2.019 123 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 123 A C 2.167 179.783 177.584 0.054 0.000 1.164 123 A CA 2.217 54.282 52.037 0.047 0.000 0.644 123 A CB -1.005 18.021 19.000 0.043 0.000 0.805 123 A HN 0.531 nan 8.150 nan 0.000 0.449 124 S N -0.878 114.859 115.700 0.060 0.000 2.362 124 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 124 S C 1.905 176.540 174.600 0.059 0.000 1.032 124 S CA 1.198 59.438 58.200 0.065 0.000 0.973 124 S CB -0.403 62.844 63.200 0.079 0.000 0.849 124 S HN 0.426 nan 8.310 nan 0.000 0.465 125 L N 1.984 123.245 121.223 0.064 0.000 2.131 125 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 125 L C 2.284 179.185 176.870 0.052 0.000 1.092 125 L CA 2.094 56.971 54.840 0.061 0.000 0.759 125 L CB -1.235 40.874 42.059 0.083 0.000 0.903 125 L HN 0.318 nan 8.230 nan 0.000 0.435 126 T N -0.906 113.681 114.554 0.055 0.000 3.051 126 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 126 T C 1.659 176.380 174.700 0.035 0.000 1.127 126 T CA 1.125 63.254 62.100 0.048 0.000 1.107 126 T CB -0.121 68.777 68.868 0.051 0.000 0.898 126 T HN 0.370 nan 8.240 nan 0.000 0.517 127 K N 0.259 120.678 120.400 0.032 0.000 2.367 127 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 127 K C 0.742 177.350 176.600 0.014 0.000 1.027 127 K CA 0.019 56.319 56.287 0.022 0.000 1.075 127 K CB 0.466 32.980 32.500 0.023 0.000 0.845 127 K HN 0.217 nan 8.250 nan 0.000 0.529 128 R N 2.005 122.514 120.500 0.015 0.000 2.531 128 R HA 0.153 4.493 4.340 -0.000 0.000 0.273 128 R C -2.449 173.847 176.300 -0.007 0.000 1.070 128 R CA -1.848 54.255 56.100 0.005 0.000 1.112 128 R CB 0.174 30.480 30.300 0.009 0.000 1.049 128 R HN -0.056 nan 8.270 nan 0.000 0.508 129 P HA 0.025 nan 4.420 nan 0.000 0.276 129 P C -0.264 177.013 177.300 -0.038 0.000 1.243 129 P CA 0.159 63.246 63.100 -0.020 0.000 0.768 129 P CB 0.922 32.613 31.700 -0.016 0.000 0.856 130 M N 2.113 121.685 119.600 -0.048 0.000 2.337 130 M HA 0.119 4.599 4.480 -0.000 0.000 0.256 130 M C 2.041 178.295 176.300 -0.077 0.000 1.075 130 M CA 0.354 55.607 55.300 -0.080 0.000 1.024 130 M CB -0.935 31.607 32.600 -0.098 0.000 1.429 130 M HN 0.423 nan 8.290 nan 0.000 0.497 131 G N 2.269 111.040 108.800 -0.049 0.000 2.450 131 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 131 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 131 G C 1.637 176.514 174.900 -0.038 0.000 1.130 131 G CA 0.920 45.996 45.100 -0.040 0.000 0.760 131 G HN 0.597 nan 8.290 nan 0.000 0.557 132 R N 0.412 120.893 120.500 -0.032 0.000 2.159 132 R HA -0.037 4.303 4.340 -0.000 0.000 0.237 132 R C 2.238 178.503 176.300 -0.058 0.000 1.131 132 R CA 1.838 57.930 56.100 -0.014 0.000 0.982 132 R CB -0.748 29.549 30.300 -0.005 0.000 0.868 132 R HN 0.517 nan 8.270 nan 0.000 0.453 133 V N -2.075 117.776 119.914 -0.105 0.000 3.085 133 V HA 0.135 4.255 4.120 -0.000 0.000 0.245 133 V C 2.092 178.080 176.094 -0.177 0.000 1.114 133 V CA 0.203 62.407 62.300 -0.160 0.000 1.108 133 V CB -0.404 31.315 31.823 -0.173 0.000 0.798 133 V HN 0.129 nan 8.190 nan 0.000 0.471 134 L N 0.933 122.071 121.223 -0.143 0.000 2.201 134 L HA -0.045 4.294 4.340 -0.000 0.000 0.212 134 L C 2.628 179.431 176.870 -0.112 0.000 1.105 134 L CA 1.492 56.256 54.840 -0.127 0.000 0.775 134 L CB -0.860 41.140 42.059 -0.098 0.000 0.913 134 L HN 0.352 nan 8.230 nan 0.000 0.440 135 N N 0.116 118.757 118.700 -0.099 0.000 2.058 135 N HA -0.112 4.628 4.740 -0.000 0.000 0.191 135 N C -0.714 174.710 175.510 -0.143 0.000 1.037 135 N CA 1.518 54.526 53.050 -0.070 0.000 0.848 135 N CB -1.369 37.122 38.487 0.006 0.000 1.021 135 N HN 0.256 nan 8.380 nan 0.000 0.422 136 P HA -0.073 nan 4.420 nan 0.000 0.217 136 P C 1.669 178.803 177.300 -0.276 0.000 1.150 136 P CA 0.932 63.711 63.100 -0.536 0.000 0.832 136 P CB 0.011 31.031 31.700 -1.133 0.000 0.787 137 L N -0.603 120.488 121.223 -0.220 0.000 2.083 137 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 137 L C 2.960 179.771 176.870 -0.099 0.000 1.083 137 L CA 1.474 56.228 54.840 -0.145 0.000 0.752 137 L CB -0.709 41.271 42.059 -0.131 0.000 0.899 137 L HN -0.092 nan 8.230 nan 0.000 0.433 138 R N 0.040 120.489 120.500 -0.086 0.000 2.096 138 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 138 R C 2.123 178.398 176.300 -0.042 0.000 1.127 138 R CA 1.257 57.327 56.100 -0.051 0.000 0.968 138 R CB -0.229 30.049 30.300 -0.036 0.000 0.861 138 R HN 0.452 nan 8.270 nan 0.000 0.440 139 E N 0.318 120.490 120.200 -0.047 0.000 2.153 139 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 139 E C 1.627 178.208 176.600 -0.031 0.000 0.988 139 E CA 1.054 57.440 56.400 -0.023 0.000 0.811 139 E CB 0.013 29.715 29.700 0.003 0.000 0.746 139 E HN 0.359 nan 8.360 nan 0.000 0.466 140 M N -0.781 118.786 119.600 -0.055 0.000 2.618 140 M HA 0.105 4.585 4.480 -0.000 0.000 0.240 140 M C 1.052 177.323 176.300 -0.048 0.000 1.123 140 M CA 0.648 55.917 55.300 -0.053 0.000 1.060 140 M CB 0.786 33.343 32.600 -0.071 0.000 1.535 140 M HN 0.274 nan 8.290 nan 0.000 0.507 141 G N 0.329 109.104 108.800 -0.041 0.000 2.176 141 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 141 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 141 G C 0.018 174.898 174.900 -0.035 0.000 0.986 141 G CA -0.405 44.674 45.100 -0.035 0.000 0.643 141 G HN 0.282 nan 8.290 nan 0.000 0.522 142 V N 1.677 121.567 119.914 -0.040 0.000 2.614 142 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 142 V C 0.775 176.857 176.094 -0.020 0.000 1.049 142 V CA 0.056 62.337 62.300 -0.032 0.000 1.038 142 V CB 1.509 33.309 31.823 -0.040 0.000 0.980 142 V HN 0.428 nan 8.190 nan 0.000 0.481 143 Q N 2.983 122.780 119.800 -0.005 0.000 2.256 143 Q HA 0.545 4.885 4.340 -0.000 0.000 0.254 143 Q C -1.053 174.954 176.000 0.012 0.000 0.916 143 Q CA -0.434 55.371 55.803 0.004 0.000 0.932 143 Q CB 2.076 30.821 28.738 0.012 0.000 1.207 143 Q HN 0.589 nan 8.270 nan 0.000 0.426 144 V N 3.170 123.089 119.914 0.007 0.000 2.540 144 V HA 0.391 4.511 4.120 -0.000 0.000 0.302 144 V C -0.456 175.649 176.094 0.018 0.000 1.035 144 V CA -0.810 61.496 62.300 0.010 0.000 0.873 144 V CB 1.887 33.703 31.823 -0.012 0.000 0.992 144 V HN 0.645 nan 8.190 nan 0.000 0.428 145 K N 3.204 123.624 120.400 0.033 0.000 2.450 145 K HA 0.718 5.038 4.320 -0.000 0.000 0.257 145 K C -0.555 176.067 176.600 0.037 0.000 0.953 145 K CA -0.302 56.006 56.287 0.034 0.000 0.844 145 K CB 2.035 34.561 32.500 0.043 0.000 1.103 145 K HN 0.894 nan 8.250 nan 0.000 0.429 146 S N 1.410 117.125 115.700 0.025 0.000 2.651 146 S HA 0.449 4.919 4.470 -0.000 0.000 0.279 146 S C -0.627 173.986 174.600 0.021 0.000 1.148 146 S CA -1.107 57.107 58.200 0.024 0.000 0.837 146 S CB 1.838 65.042 63.200 0.007 0.000 1.138 146 S HN 0.313 nan 8.310 nan 0.000 0.478 147 E N 1.250 121.463 120.200 0.022 0.000 2.349 147 E HA 0.283 4.633 4.350 -0.000 0.000 0.262 147 E C -0.642 175.966 176.600 0.012 0.000 1.088 147 E CA -0.396 56.015 56.400 0.019 0.000 0.899 147 E CB 0.315 30.029 29.700 0.023 0.000 1.044 147 E HN 0.606 nan 8.360 nan 0.000 0.420 148 D N 0.152 120.559 120.400 0.011 0.000 2.571 148 D HA 0.119 4.759 4.640 -0.000 0.000 0.231 148 D C 1.121 177.424 176.300 0.005 0.000 1.133 148 D CA 1.504 55.508 54.000 0.007 0.000 0.862 148 D CB 0.339 41.143 40.800 0.007 0.000 1.179 148 D HN 0.674 nan 8.370 nan 0.000 0.474 149 G N 2.139 110.940 108.800 0.002 0.000 2.157 149 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.248 149 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.248 149 G C 0.188 175.085 174.900 -0.005 0.000 0.979 149 G CA 0.130 45.229 45.100 -0.001 0.000 0.650 149 G HN 0.665 nan 8.290 nan 0.000 0.529 150 D N -1.398 118.999 120.400 -0.005 0.000 2.746 150 D HA -0.124 4.516 4.640 -0.000 0.000 0.241 150 D C 0.774 177.065 176.300 -0.014 0.000 1.140 150 D CA 1.637 55.630 54.000 -0.013 0.000 0.707 150 D CB -0.337 40.450 40.800 -0.022 0.000 1.034 150 D HN 0.751 nan 8.370 nan 0.000 0.423 151 R N -0.477 120.022 120.500 -0.002 0.000 2.828 151 R HA 0.677 5.017 4.340 -0.000 0.000 0.264 151 R C 0.262 176.573 176.300 0.019 0.000 1.022 151 R CA -0.761 55.342 56.100 0.005 0.000 1.021 151 R CB 0.833 31.140 30.300 0.012 0.000 1.163 151 R HN 0.085 nan 8.270 nan 0.000 0.494 152 L N 2.527 123.769 121.223 0.032 0.000 2.473 152 L HA 0.287 4.627 4.340 -0.000 0.000 0.268 152 L C -1.774 175.131 176.870 0.058 0.000 1.215 152 L CA -1.562 53.315 54.840 0.062 0.000 0.823 152 L CB 0.323 42.434 42.059 0.087 0.000 1.099 152 L HN 0.297 nan 8.230 nan 0.000 0.483 153 P HA 0.173 nan 4.420 nan 0.000 0.275 153 P C -1.048 176.312 177.300 0.100 0.000 1.228 153 P CA -0.175 62.984 63.100 0.098 0.000 0.786 153 P CB 1.082 32.831 31.700 0.082 0.000 0.927 154 V N 2.564 122.571 119.914 0.154 0.000 2.656 154 V HA 0.441 4.561 4.120 -0.000 0.000 0.307 154 V C -0.189 176.043 176.094 0.230 0.000 1.051 154 V CA -0.276 62.111 62.300 0.144 0.000 0.893 154 V CB 2.377 34.247 31.823 0.079 0.000 0.999 154 V HN 0.470 nan 8.190 nan 0.000 0.426 155 T N 6.096 120.749 114.554 0.165 0.000 2.812 155 T HA 0.672 5.022 4.350 -0.000 0.000 0.282 155 T C -0.571 174.224 174.700 0.159 0.000 0.990 155 T CA -0.314 61.895 62.100 0.181 0.000 0.960 155 T CB 0.950 69.888 68.868 0.116 0.000 0.948 155 T HN 0.343 nan 8.240 nan 0.000 0.438 156 L N 2.781 124.132 121.223 0.213 0.000 2.334 156 L HA 0.820 5.160 4.340 -0.000 0.000 0.273 156 L C -0.032 176.918 176.870 0.132 0.000 1.013 156 L CA -1.201 53.729 54.840 0.151 0.000 0.816 156 L CB 1.534 43.701 42.059 0.180 0.000 1.278 156 L HN 0.345 nan 8.230 nan 0.000 0.431 157 R N 1.273 121.819 120.500 0.077 0.000 2.500 157 R HA 0.521 4.861 4.340 -0.000 0.000 0.299 157 R C -0.582 175.726 176.300 0.013 0.000 1.038 157 R CA -0.452 55.684 56.100 0.059 0.000 0.903 157 R CB 1.410 31.745 30.300 0.058 0.000 1.177 157 R HN 0.701 nan 8.270 nan 0.000 0.455 158 G N 4.255 113.040 108.800 -0.026 0.000 2.539 158 G HA2 0.427 4.387 3.960 -0.000 0.000 0.258 158 G HA3 0.427 4.387 3.960 -0.000 0.000 0.258 158 G C -2.295 172.572 174.900 -0.055 0.000 1.202 158 G CA -1.038 44.026 45.100 -0.060 0.000 0.851 158 G HN 0.558 nan 8.290 nan 0.000 0.556 159 P HA 0.195 nan 4.420 nan 0.000 0.278 159 P C 0.423 177.685 177.300 -0.064 0.000 1.266 159 P CA -0.585 62.486 63.100 -0.049 0.000 0.807 159 P CB 1.957 33.629 31.700 -0.046 0.000 1.094 160 K N -0.116 120.257 120.400 -0.046 0.000 2.057 160 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 160 K C -0.006 176.552 176.600 -0.070 0.000 1.049 160 K CA 1.332 57.590 56.287 -0.049 0.000 0.931 160 K CB -0.212 32.271 32.500 -0.028 0.000 0.714 160 K HN 0.431 nan 8.250 nan 0.000 0.440 161 T N 3.171 117.687 114.554 -0.063 0.000 2.892 161 T HA 0.340 4.690 4.350 -0.000 0.000 0.311 161 T C -2.664 171.995 174.700 -0.069 0.000 1.033 161 T CA -1.507 60.551 62.100 -0.069 0.000 0.991 161 T CB 1.911 70.749 68.868 -0.050 0.000 0.981 161 T HN 0.043 nan 8.240 nan 0.000 0.457 162 P HA 0.320 nan 4.420 nan 0.000 0.272 162 P C -0.415 176.849 177.300 -0.059 0.000 1.230 162 P CA -0.403 62.651 63.100 -0.077 0.000 0.788 162 P CB 0.427 32.068 31.700 -0.099 0.000 0.949 163 T N 3.385 117.910 114.554 -0.048 0.000 2.749 163 T HA 0.381 4.731 4.350 -0.000 0.000 0.287 163 T C -2.288 172.392 174.700 -0.033 0.000 0.970 163 T CA -1.334 60.745 62.100 -0.035 0.000 0.980 163 T CB 0.616 69.469 68.868 -0.026 0.000 0.924 163 T HN 0.339 nan 8.240 nan 0.000 0.456 164 P HA 0.446 nan 4.420 nan 0.000 0.274 164 P C -0.590 176.706 177.300 -0.006 0.000 1.231 164 P CA -0.512 62.575 63.100 -0.021 0.000 0.790 164 P CB 0.828 32.516 31.700 -0.019 0.000 0.951 165 I N -2.473 118.101 120.570 0.006 0.000 3.174 165 I HA 0.607 4.777 4.170 -0.000 0.000 0.313 165 I C -0.964 175.186 176.117 0.054 0.000 1.155 165 I CA -0.953 60.367 61.300 0.034 0.000 0.977 165 I CB 2.292 40.324 38.000 0.053 0.000 1.248 165 I HN 0.025 nan 8.210 nan 0.000 0.453 166 T N 2.201 116.797 114.554 0.071 0.000 2.770 166 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 166 T C -1.505 173.269 174.700 0.123 0.000 0.988 166 T CA -0.125 62.016 62.100 0.068 0.000 0.957 166 T CB 0.417 69.301 68.868 0.028 0.000 0.930 166 T HN 0.503 nan 8.240 nan 0.000 0.443 167 Y N 2.944 123.234 120.300 -0.017 0.000 2.338 167 Y HA 0.495 5.045 4.550 -0.000 0.000 0.333 167 Y C 0.116 176.006 175.900 -0.016 0.000 0.968 167 Y CA -1.143 56.947 58.100 -0.017 0.000 1.123 167 Y CB 1.004 39.452 38.460 -0.020 0.000 1.165 167 Y HN 0.470 nan 8.280 nan 0.000 0.452 168 R N 5.603 125.813 120.500 -0.483 0.000 2.202 168 R HA 0.445 4.785 4.340 -0.000 0.000 0.334 168 R C -1.341 174.708 176.300 -0.419 0.000 1.036 168 R CA -0.479 55.431 56.100 -0.316 0.000 0.878 168 R CB 0.513 30.666 30.300 -0.246 0.000 1.067 168 R HN 0.568 nan 8.270 nan 0.000 0.457 169 V N 8.424 128.255 119.914 -0.138 0.000 2.450 169 V HA 0.057 4.177 4.120 -0.000 0.000 0.281 169 V C -1.049 175.012 176.094 -0.055 0.000 1.019 169 V CA -0.993 61.299 62.300 -0.013 0.000 1.062 169 V CB 1.063 32.931 31.823 0.074 0.000 0.979 169 V HN 0.851 nan 8.190 nan 0.000 0.477 170 P HA -0.043 nan 4.420 nan 0.000 0.221 170 P C 0.281 177.572 177.300 -0.016 0.000 1.150 170 P CA 1.191 64.266 63.100 -0.042 0.000 0.800 170 P CB 0.308 31.990 31.700 -0.030 0.000 0.787 171 M N -2.160 117.443 119.600 0.005 0.000 2.727 171 M HA 0.659 5.139 4.480 -0.000 0.000 0.300 171 M C -0.703 175.602 176.300 0.010 0.000 1.246 171 M CA -1.477 53.825 55.300 0.004 0.000 0.835 171 M CB 1.059 33.663 32.600 0.007 0.000 1.755 171 M HN -0.243 nan 8.290 nan 0.000 0.473 172 A N 1.973 124.798 122.820 0.008 0.000 3.048 172 A HA 0.408 4.728 4.320 -0.000 0.000 0.264 172 A C 0.145 177.739 177.584 0.018 0.000 1.796 172 A CA -0.032 52.013 52.037 0.012 0.000 1.445 172 A CB -1.218 17.791 19.000 0.014 0.000 1.074 172 A HN 0.737 nan 8.150 nan 0.000 0.621 173 S N 0.935 116.647 115.700 0.020 0.000 2.474 173 S HA 0.527 4.997 4.470 -0.000 0.000 0.321 173 S C 1.094 175.707 174.600 0.020 0.000 1.080 173 S CA -0.006 58.206 58.200 0.020 0.000 1.106 173 S CB 0.994 64.205 63.200 0.019 0.000 0.984 173 S HN 0.908 nan 8.310 nan 0.000 0.464 174 A N 4.462 127.292 122.820 0.018 0.000 2.014 174 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 174 A C 1.962 179.556 177.584 0.016 0.000 1.163 174 A CA 0.990 53.038 52.037 0.018 0.000 0.652 174 A CB -0.393 18.619 19.000 0.020 0.000 0.808 174 A HN 0.884 nan 8.150 nan 0.000 0.449 175 Q N -0.504 119.298 119.800 0.003 0.000 2.119 175 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 175 Q C 2.080 178.062 176.000 -0.029 0.000 0.972 175 Q CA 1.490 57.280 55.803 -0.023 0.000 0.847 175 Q CB -0.266 28.443 28.738 -0.049 0.000 0.903 175 Q HN 0.504 nan 8.270 nan 0.000 0.433 176 V N 1.539 121.445 119.914 -0.013 0.000 2.307 176 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 176 V C 2.334 178.430 176.094 0.005 0.000 1.045 176 V CA 1.961 64.253 62.300 -0.013 0.000 1.024 176 V CB -0.562 31.282 31.823 0.035 0.000 0.651 176 V HN 0.349 nan 8.190 nan 0.000 0.449 177 K N 0.311 120.731 120.400 0.034 0.000 2.044 177 K HA -0.220 4.099 4.320 -0.000 0.000 0.210 177 K C 2.251 178.867 176.600 0.025 0.000 1.049 177 K CA 2.208 58.520 56.287 0.042 0.000 0.927 177 K CB -0.284 32.239 32.500 0.038 0.000 0.713 177 K HN 0.442 nan 8.250 nan 0.000 0.443 178 S N 0.540 116.254 115.700 0.024 0.000 2.368 178 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 178 S C 2.085 176.695 174.600 0.018 0.000 1.029 178 S CA 1.078 59.302 58.200 0.041 0.000 0.988 178 S CB -0.308 62.925 63.200 0.056 0.000 0.838 178 S HN 0.558 nan 8.310 nan 0.000 0.462 179 A N 1.157 123.962 122.820 -0.024 0.000 1.902 179 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 179 A C 2.327 179.874 177.584 -0.061 0.000 1.181 179 A CA 1.514 53.518 52.037 -0.055 0.000 0.623 179 A CB -0.855 18.081 19.000 -0.107 0.000 0.818 179 A HN 0.348 nan 8.150 nan 0.000 0.443 180 V N 0.002 119.874 119.914 -0.071 0.000 2.358 180 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 180 V C 2.545 178.616 176.094 -0.038 0.000 1.047 180 V CA 1.802 64.054 62.300 -0.080 0.000 1.035 180 V CB -0.746 31.029 31.823 -0.080 0.000 0.658 180 V HN 0.559 nan 8.190 nan 0.000 0.452 181 L N -0.679 120.535 121.223 -0.014 0.000 2.046 181 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 181 L C 2.407 179.262 176.870 -0.025 0.000 1.077 181 L CA 1.512 56.344 54.840 -0.014 0.000 0.747 181 L CB -0.513 41.544 42.059 -0.002 0.000 0.896 181 L HN 0.298 nan 8.230 nan 0.000 0.432 182 L N -0.559 120.661 121.223 -0.005 0.000 2.093 182 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 182 L C 2.859 179.736 176.870 0.011 0.000 1.085 182 L CA 1.022 55.867 54.840 0.009 0.000 0.755 182 L CB -0.766 41.335 42.059 0.070 0.000 0.904 182 L HN 0.250 nan 8.230 nan 0.000 0.435 183 A N 0.497 123.313 122.820 -0.007 0.000 1.933 183 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 183 A C 2.385 179.949 177.584 -0.033 0.000 1.175 183 A CA 1.585 53.612 52.037 -0.015 0.000 0.628 183 A CB -1.121 17.849 19.000 -0.049 0.000 0.814 183 A HN 0.435 nan 8.150 nan 0.000 0.444 184 G N -0.206 108.572 108.800 -0.037 0.000 2.470 184 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 184 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 184 G C 1.434 176.306 174.900 -0.046 0.000 1.121 184 G CA 0.918 45.993 45.100 -0.042 0.000 0.766 184 G HN 0.461 nan 8.290 nan 0.000 0.553 185 L N -0.060 121.138 121.223 -0.041 0.000 2.191 185 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 185 L C 2.042 178.883 176.870 -0.048 0.000 1.103 185 L CA 0.934 55.750 54.840 -0.041 0.000 0.769 185 L CB -0.126 41.913 42.059 -0.034 0.000 0.908 185 L HN 0.183 nan 8.230 nan 0.000 0.438 186 N N -1.061 117.593 118.700 -0.077 0.000 2.275 186 N HA 0.040 4.780 4.740 -0.000 0.000 0.236 186 N C -0.636 174.771 175.510 -0.172 0.000 1.154 186 N CA 0.049 52.994 53.050 -0.174 0.000 0.866 186 N CB 0.448 38.700 38.487 -0.391 0.000 1.093 186 N HN -0.057 nan 8.380 nan 0.000 0.515 187 T N 2.202 116.691 114.554 -0.108 0.000 2.807 187 T HA 0.407 4.757 4.350 -0.000 0.000 0.279 187 T C -2.800 171.860 174.700 -0.068 0.000 0.993 187 T CA -1.324 60.721 62.100 -0.091 0.000 0.970 187 T CB 2.205 71.029 68.868 -0.072 0.000 0.950 187 T HN 0.072 nan 8.240 nan 0.000 0.441 188 P HA 0.487 nan 4.420 nan 0.000 0.275 188 P C 0.417 177.696 177.300 -0.035 0.000 1.227 188 P CA 0.385 63.457 63.100 -0.046 0.000 0.781 188 P CB 0.914 32.588 31.700 -0.044 0.000 0.906 189 G N 2.444 111.228 108.800 -0.027 0.000 2.526 189 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.250 189 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.250 189 G C -1.294 173.594 174.900 -0.019 0.000 1.289 189 G CA -0.767 44.321 45.100 -0.021 0.000 0.947 189 G HN 0.485 nan 8.290 nan 0.000 0.517 190 I N 1.194 121.756 120.570 -0.014 0.000 2.321 190 I HA 0.455 4.625 4.170 -0.000 0.000 0.291 190 I C 0.716 176.828 176.117 -0.008 0.000 0.998 190 I CA -0.350 60.944 61.300 -0.010 0.000 1.227 190 I CB 0.665 38.662 38.000 -0.006 0.000 1.368 190 I HN 0.469 nan 8.210 nan 0.000 0.466 191 T N 5.585 120.133 114.554 -0.009 0.000 2.799 191 T HA 0.464 4.814 4.350 -0.000 0.000 0.286 191 T C 0.249 174.954 174.700 0.007 0.000 0.973 191 T CA -0.181 61.917 62.100 -0.002 0.000 1.035 191 T CB 0.959 69.820 68.868 -0.012 0.000 0.932 191 T HN 0.544 nan 8.240 nan 0.000 0.469 192 T N 2.924 117.491 114.554 0.022 0.000 2.824 192 T HA 0.556 4.906 4.350 -0.000 0.000 0.282 192 T C -0.516 174.214 174.700 0.050 0.000 0.993 192 T CA -0.535 61.581 62.100 0.026 0.000 0.967 192 T CB 1.369 70.249 68.868 0.019 0.000 0.960 192 T HN 0.301 nan 8.240 nan 0.000 0.441 193 V N 4.415 124.357 119.914 0.045 0.000 2.495 193 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 193 V C -0.339 175.777 176.094 0.036 0.000 1.031 193 V CA -0.817 61.524 62.300 0.068 0.000 0.871 193 V CB 1.615 33.478 31.823 0.067 0.000 0.988 193 V HN 0.795 nan 8.190 nan 0.000 0.432 194 I N 4.100 124.683 120.570 0.022 0.000 2.362 194 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 194 I C -0.000 176.111 176.117 -0.009 0.000 0.994 194 I CA -0.270 61.027 61.300 -0.006 0.000 1.158 194 I CB 1.620 39.602 38.000 -0.030 0.000 1.315 194 I HN 0.710 nan 8.210 nan 0.000 0.451 195 E N 9.385 129.583 120.200 -0.004 0.000 2.102 195 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 195 E C -2.013 174.580 176.600 -0.012 0.000 0.894 195 E CA -1.838 54.559 56.400 -0.004 0.000 0.746 195 E CB 1.431 31.134 29.700 0.005 0.000 1.129 195 E HN 0.304 nan 8.360 nan 0.000 0.416 196 P HA -0.028 nan 4.420 nan 0.000 0.221 196 P C -0.092 177.201 177.300 -0.012 0.000 1.150 196 P CA 0.655 63.743 63.100 -0.019 0.000 0.800 196 P CB 0.375 32.059 31.700 -0.026 0.000 0.787 197 I N -0.795 119.770 120.570 -0.009 0.000 2.533 197 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 197 I C 0.278 176.392 176.117 -0.004 0.000 1.056 197 I CA -1.194 60.103 61.300 -0.005 0.000 1.057 197 I CB 1.836 39.835 38.000 -0.001 0.000 1.240 197 I HN -0.214 nan 8.210 nan 0.000 0.423 198 M N 5.480 125.077 119.600 -0.005 0.000 2.248 198 M HA 0.279 4.759 4.480 -0.000 0.000 0.345 198 M C -0.037 176.257 176.300 -0.010 0.000 1.243 198 M CA 0.610 55.904 55.300 -0.010 0.000 1.090 198 M CB 0.316 32.908 32.600 -0.014 0.000 1.683 198 M HN 0.880 nan 8.290 nan 0.000 0.450 199 T N 2.599 117.143 114.554 -0.016 0.000 2.907 199 T HA 0.549 4.899 4.350 -0.000 0.000 0.290 199 T C -0.461 174.206 174.700 -0.055 0.000 1.066 199 T CA -1.293 60.796 62.100 -0.019 0.000 1.012 199 T CB 0.949 69.815 68.868 -0.003 0.000 1.184 199 T HN 0.854 nan 8.240 nan 0.000 0.522 200 R N 0.785 121.241 120.500 -0.073 0.000 2.566 200 R HA 0.075 4.415 4.340 -0.000 0.000 0.273 200 R C -0.636 175.519 176.300 -0.242 0.000 0.981 200 R CA 0.211 56.191 56.100 -0.201 0.000 1.091 200 R CB -0.253 29.947 30.300 -0.166 0.000 0.924 200 R HN 0.805 nan 8.270 nan 0.000 0.411 201 D N 1.534 121.719 120.400 -0.358 0.000 2.643 201 D HA 0.020 4.660 4.640 -0.000 0.000 0.244 201 D C 0.388 176.603 176.300 -0.141 0.000 1.257 201 D CA -0.351 53.535 54.000 -0.189 0.000 0.831 201 D CB -0.130 40.608 40.800 -0.104 0.000 1.043 201 D HN 0.603 nan 8.370 nan 0.000 0.488 202 H N 0.453 119.561 119.070 0.064 0.000 2.387 202 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 202 H C 1.390 176.809 175.328 0.153 0.000 1.090 202 H CA 1.691 57.790 56.048 0.085 0.000 1.332 202 H CB -0.478 29.315 29.762 0.051 0.000 1.386 202 H HN 0.198 nan 8.280 nan 0.000 0.516 203 T N 1.299 116.003 114.554 0.250 0.000 2.674 203 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 203 T C 1.946 176.768 174.700 0.203 0.000 1.039 203 T CA 1.637 63.924 62.100 0.311 0.000 1.150 203 T CB -0.063 68.942 68.868 0.228 0.000 0.864 203 T HN 0.393 nan 8.240 nan 0.000 0.427 204 E N 1.237 121.505 120.200 0.114 0.000 2.038 204 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 204 E C 2.277 178.932 176.600 0.092 0.000 1.000 204 E CA 1.150 57.592 56.400 0.070 0.000 0.803 204 E CB -0.143 29.580 29.700 0.039 0.000 0.750 204 E HN 0.427 nan 8.360 nan 0.000 0.448 205 K N -0.008 120.460 120.400 0.114 0.000 2.026 205 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 205 K C 2.210 178.923 176.600 0.188 0.000 1.048 205 K CA 1.533 57.898 56.287 0.129 0.000 0.929 205 K CB -0.145 32.432 32.500 0.129 0.000 0.713 205 K HN 0.121 nan 8.250 nan 0.000 0.439 206 M N 0.595 120.360 119.600 0.276 0.000 2.200 206 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 206 M C 2.103 178.633 176.300 0.384 0.000 1.066 206 M CA 1.367 56.915 55.300 0.412 0.000 1.127 206 M CB -0.219 32.716 32.600 0.559 0.000 1.379 206 M HN 0.101 nan 8.290 nan 0.000 0.420 207 L N -0.164 121.142 121.223 0.138 0.000 2.083 207 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 207 L C 2.510 179.429 176.870 0.083 0.000 1.083 207 L CA 1.376 56.178 54.840 -0.063 0.000 0.752 207 L CB -0.631 41.303 42.059 -0.208 0.000 0.899 207 L HN 0.408 nan 8.230 nan 0.000 0.433 208 Q N -0.375 119.482 119.800 0.095 0.000 2.084 208 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 208 Q C 2.287 178.352 176.000 0.108 0.000 0.978 208 Q CA 1.447 57.299 55.803 0.082 0.000 0.844 208 Q CB -0.379 28.398 28.738 0.065 0.000 0.898 208 Q HN 0.604 nan 8.270 nan 0.000 0.426 209 G N -0.250 108.644 108.800 0.157 0.000 2.432 209 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.219 209 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.219 209 G C 0.840 175.776 174.900 0.059 0.000 1.135 209 G CA 0.309 45.476 45.100 0.111 0.000 0.767 209 G HN 0.235 nan 8.290 nan 0.000 0.550 210 F N 0.715 120.687 119.950 0.037 0.000 2.811 210 F HA 0.319 4.846 4.527 -0.000 0.000 0.301 210 F C 2.030 177.833 175.800 0.005 0.000 1.151 210 F CA 0.533 58.550 58.000 0.028 0.000 1.412 210 F CB 0.492 39.498 39.000 0.011 0.000 1.113 210 F HN 0.271 nan 8.300 nan 0.000 0.579 211 G N -0.099 108.778 108.800 0.129 0.000 2.176 211 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.232 211 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.232 211 G C 0.431 175.364 174.900 0.055 0.000 0.986 211 G CA -0.206 44.937 45.100 0.072 0.000 0.643 211 G HN 0.596 nan 8.290 nan 0.000 0.522 212 A N -0.037 122.813 122.820 0.051 0.000 2.445 212 A HA 0.544 4.864 4.320 -0.000 0.000 0.242 212 A C 0.650 178.240 177.584 0.009 0.000 1.075 212 A CA 0.565 52.608 52.037 0.011 0.000 0.777 212 A CB 0.274 19.254 19.000 -0.032 0.000 1.013 212 A HN 0.797 nan 8.150 nan 0.000 0.493 213 N N 1.502 120.203 118.700 0.001 0.000 2.807 213 N HA 0.287 5.027 4.740 -0.000 0.000 0.259 213 N C -1.128 174.380 175.510 -0.003 0.000 1.149 213 N CA 0.153 53.205 53.050 0.002 0.000 1.042 213 N CB -0.445 38.042 38.487 0.000 0.000 1.367 213 N HN 0.575 nan 8.380 nan 0.000 0.516 214 L N 2.180 123.403 121.223 0.001 0.000 2.381 214 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 214 L C -0.482 176.392 176.870 0.006 0.000 0.988 214 L CA -0.441 54.399 54.840 -0.001 0.000 0.824 214 L CB 1.632 43.688 42.059 -0.006 0.000 1.263 214 L HN 0.404 nan 8.230 nan 0.000 0.410 215 T N 1.464 116.021 114.554 0.005 0.000 2.908 215 T HA 0.763 5.113 4.350 -0.000 0.000 0.290 215 T C -0.789 173.915 174.700 0.007 0.000 1.034 215 T CA -0.755 61.350 62.100 0.007 0.000 1.010 215 T CB 1.980 70.851 68.868 0.005 0.000 1.068 215 T HN 0.275 nan 8.240 nan 0.000 0.481 216 V N 1.733 121.652 119.914 0.007 0.000 2.531 216 V HA 0.571 4.691 4.120 -0.000 0.000 0.301 216 V C -0.339 175.757 176.094 0.004 0.000 1.034 216 V CA -0.732 61.572 62.300 0.006 0.000 0.865 216 V CB 1.448 33.275 31.823 0.006 0.000 0.995 216 V HN 1.065 nan 8.190 nan 0.000 0.424 217 E N 2.609 122.810 120.200 0.002 0.000 2.165 217 E HA 0.569 4.919 4.350 -0.000 0.000 0.266 217 E C -1.070 175.530 176.600 -0.001 0.000 0.889 217 E CA -0.423 55.977 56.400 0.000 0.000 0.756 217 E CB 1.656 31.356 29.700 -0.000 0.000 1.131 217 E HN 0.679 nan 8.360 nan 0.000 0.411 218 T N 4.059 118.612 114.554 -0.002 0.000 2.779 218 T HA 0.150 4.500 4.350 -0.000 0.000 0.280 218 T C -0.516 174.182 174.700 -0.004 0.000 0.987 218 T CA -0.722 61.376 62.100 -0.003 0.000 0.966 218 T CB 1.115 69.981 68.868 -0.003 0.000 0.933 218 T HN 0.469 nan 8.240 nan 0.000 0.442 219 D N 1.820 122.217 120.400 -0.005 0.000 2.357 219 D HA 0.227 4.867 4.640 -0.000 0.000 0.242 219 D C 1.268 177.565 176.300 -0.005 0.000 1.153 219 D CA -0.375 53.621 54.000 -0.005 0.000 0.918 219 D CB 1.359 42.154 40.800 -0.007 0.000 1.181 219 D HN 0.543 nan 8.370 nan 0.000 0.435 220 A N 2.455 125.272 122.820 -0.005 0.000 2.076 220 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 220 A C 1.374 178.955 177.584 -0.005 0.000 1.160 220 A CA 1.766 53.801 52.037 -0.004 0.000 0.653 220 A CB -0.288 18.709 19.000 -0.004 0.000 0.801 220 A HN 0.698 nan 8.150 nan 0.000 0.455 221 D N -2.337 118.060 120.400 -0.006 0.000 2.349 221 D HA 0.272 4.912 4.640 -0.000 0.000 0.224 221 D C 1.181 177.477 176.300 -0.007 0.000 1.029 221 D CA 0.968 54.964 54.000 -0.006 0.000 0.879 221 D CB -0.512 40.283 40.800 -0.008 0.000 0.906 221 D HN 0.718 nan 8.370 nan 0.000 0.528 222 G N -0.595 108.201 108.800 -0.006 0.000 2.241 222 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 222 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 222 G C 0.273 175.169 174.900 -0.008 0.000 0.998 222 G CA 0.107 45.203 45.100 -0.006 0.000 0.621 222 G HN 0.399 nan 8.290 nan 0.000 0.519 223 V N 1.731 121.639 119.914 -0.009 0.000 2.673 223 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 223 V C 1.058 177.147 176.094 -0.008 0.000 1.046 223 V CA 0.446 62.739 62.300 -0.011 0.000 1.126 223 V CB 0.933 32.748 31.823 -0.013 0.000 0.934 223 V HN 0.427 nan 8.190 nan 0.000 0.487 224 R N 2.662 123.157 120.500 -0.007 0.000 2.338 224 R HA 0.542 4.882 4.340 -0.000 0.000 0.317 224 R C -0.520 175.779 176.300 -0.003 0.000 0.968 224 R CA -0.403 55.695 56.100 -0.004 0.000 0.849 224 R CB 1.574 31.872 30.300 -0.003 0.000 1.128 224 R HN 0.694 nan 8.270 nan 0.000 0.448 225 T N 4.521 119.074 114.554 -0.002 0.000 2.788 225 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 225 T C -0.042 174.661 174.700 0.004 0.000 1.009 225 T CA -0.452 61.648 62.100 0.000 0.000 0.949 225 T CB 0.429 69.296 68.868 -0.002 0.000 0.946 225 T HN 0.338 nan 8.240 nan 0.000 0.453 226 I N 3.858 124.433 120.570 0.008 0.000 2.355 226 I HA 0.448 4.618 4.170 -0.000 0.000 0.288 226 I C 0.353 176.475 176.117 0.009 0.000 0.999 226 I CA -0.738 60.567 61.300 0.009 0.000 1.163 226 I CB 1.265 39.272 38.000 0.013 0.000 1.316 226 I HN 0.274 nan 8.210 nan 0.000 0.454 227 R N 5.531 126.034 120.500 0.005 0.000 2.445 227 R HA 0.716 5.056 4.340 -0.000 0.000 0.308 227 R C -1.314 174.984 176.300 -0.002 0.000 0.961 227 R CA -0.903 55.198 56.100 0.002 0.000 0.862 227 R CB 2.300 32.601 30.300 0.001 0.000 1.144 227 R HN 0.400 nan 8.270 nan 0.000 0.447 228 L N 1.552 122.771 121.223 -0.006 0.000 2.409 228 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 228 L C -0.750 176.110 176.870 -0.016 0.000 0.980 228 L CA -0.339 54.492 54.840 -0.014 0.000 0.826 228 L CB 1.957 44.002 42.059 -0.023 0.000 1.268 228 L HN 0.608 nan 8.230 nan 0.000 0.407 229 E N 3.249 123.439 120.200 -0.015 0.000 2.194 229 E HA 0.511 4.861 4.350 -0.000 0.000 0.284 229 E C -0.021 176.566 176.600 -0.022 0.000 1.035 229 E CA -0.350 56.041 56.400 -0.016 0.000 0.836 229 E CB 0.884 30.577 29.700 -0.011 0.000 1.070 229 E HN 0.900 nan 8.360 nan 0.000 0.401 230 G N 3.165 111.949 108.800 -0.027 0.000 2.572 230 G HA2 0.129 4.089 3.960 -0.000 0.000 0.261 230 G HA3 0.129 4.089 3.960 -0.000 0.000 0.261 230 G C -0.270 174.610 174.900 -0.033 0.000 1.197 230 G CA -0.530 44.549 45.100 -0.035 0.000 0.870 230 G HN 0.888 nan 8.290 nan 0.000 0.548 231 R N -1.367 119.110 120.500 -0.039 0.000 3.641 231 R HA -0.163 4.177 4.340 -0.000 0.000 0.286 231 R C 0.842 177.133 176.300 -0.015 0.000 1.153 231 R CA 0.393 56.474 56.100 -0.033 0.000 0.775 231 R CB -1.906 28.369 30.300 -0.042 0.000 1.215 231 R HN 0.838 nan 8.270 nan 0.000 0.474 232 G N 0.635 109.429 108.800 -0.011 0.000 2.462 232 G HA2 0.374 4.334 3.960 -0.000 0.000 0.319 232 G HA3 0.374 4.334 3.960 -0.000 0.000 0.319 232 G C -0.543 174.365 174.900 0.013 0.000 1.171 232 G CA -0.723 44.377 45.100 0.000 0.000 0.920 232 G HN 0.070 nan 8.290 nan 0.000 0.499 233 K N -0.031 120.383 120.400 0.023 0.000 2.326 233 K HA 0.379 4.699 4.320 -0.000 0.000 0.275 233 K C -0.597 176.036 176.600 0.056 0.000 1.018 233 K CA -0.195 56.115 56.287 0.040 0.000 0.962 233 K CB 0.395 32.919 32.500 0.039 0.000 0.953 233 K HN 0.278 nan 8.250 nan 0.000 0.475 234 L N 2.664 123.937 121.223 0.083 0.000 2.365 234 L HA 0.377 4.717 4.340 -0.000 0.000 0.273 234 L C -0.544 176.432 176.870 0.178 0.000 1.000 234 L CA -0.819 54.107 54.840 0.143 0.000 0.819 234 L CB 2.357 44.494 42.059 0.129 0.000 1.284 234 L HN 0.676 nan 8.230 nan 0.000 0.418 235 T N 1.059 115.732 114.554 0.198 0.000 2.807 235 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 235 T C 0.357 175.110 174.700 0.088 0.000 0.993 235 T CA -0.557 61.615 62.100 0.119 0.000 0.970 235 T CB 1.749 70.640 68.868 0.039 0.000 0.950 235 T HN 0.742 nan 8.240 nan 0.000 0.441 236 G N 2.736 111.598 108.800 0.105 0.000 2.474 236 G HA2 0.357 4.317 3.960 -0.000 0.000 0.233 236 G HA3 0.357 4.317 3.960 -0.000 0.000 0.233 236 G C -0.446 174.346 174.900 -0.181 0.000 1.278 236 G CA -0.126 45.011 45.100 0.061 0.000 0.861 236 G HN 0.509 nan 8.290 nan 0.000 0.567 237 Q N -0.406 119.201 119.800 -0.323 0.000 2.544 237 Q HA 0.440 4.780 4.340 -0.000 0.000 0.291 237 Q C -0.847 175.070 176.000 -0.139 0.000 1.068 237 Q CA -0.891 54.701 55.803 -0.351 0.000 0.785 237 Q CB 2.256 30.550 28.738 -0.739 0.000 1.481 237 Q HN 0.330 nan 8.270 nan 0.000 0.430 238 V N 2.137 121.994 119.914 -0.095 0.000 2.406 238 V HA 0.428 4.548 4.120 -0.000 0.000 0.272 238 V C -0.007 176.080 176.094 -0.010 0.000 1.043 238 V CA -0.241 62.046 62.300 -0.021 0.000 0.915 238 V CB 0.736 32.552 31.823 -0.013 0.000 0.988 238 V HN 0.502 nan 8.190 nan 0.000 0.466 239 I N 4.029 124.620 120.570 0.037 0.000 2.433 239 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 239 I C -0.838 175.304 176.117 0.042 0.000 1.001 239 I CA -0.463 60.869 61.300 0.053 0.000 1.119 239 I CB 2.109 40.171 38.000 0.103 0.000 1.289 239 I HN 0.503 nan 8.210 nan 0.000 0.438 240 D N 6.045 126.461 120.400 0.028 0.000 2.453 240 D HA 0.301 4.941 4.640 -0.000 0.000 0.238 240 D C -0.780 175.520 176.300 0.001 0.000 1.088 240 D CA -0.308 53.703 54.000 0.017 0.000 0.854 240 D CB 1.534 42.343 40.800 0.014 0.000 1.076 240 D HN 0.071 nan 8.370 nan 0.000 0.533 241 V N 6.754 126.658 119.914 -0.017 0.000 2.508 241 V HA 0.288 4.407 4.120 -0.000 0.000 0.281 241 V C -1.478 174.585 176.094 -0.051 0.000 1.041 241 V CA -0.944 61.325 62.300 -0.053 0.000 1.016 241 V CB 0.814 32.581 31.823 -0.094 0.000 0.984 241 V HN 0.554 nan 8.190 nan 0.000 0.478 242 P HA 0.245 nan 4.420 nan 0.000 0.276 242 P C 0.145 177.404 177.300 -0.068 0.000 1.261 242 P CA -0.198 62.874 63.100 -0.046 0.000 0.800 242 P CB 0.891 32.572 31.700 -0.032 0.000 1.066 243 G N 0.457 109.222 108.800 -0.059 0.000 2.441 243 G HA2 0.025 3.985 3.960 -0.000 0.000 0.243 243 G HA3 0.025 3.985 3.960 -0.000 0.000 0.243 243 G C -0.156 174.688 174.900 -0.093 0.000 1.281 243 G CA -0.158 44.896 45.100 -0.078 0.000 0.854 243 G HN 0.493 nan 8.290 nan 0.000 0.560 244 D N 2.562 122.885 120.400 -0.129 0.000 2.358 244 D HA 0.092 4.732 4.640 -0.000 0.000 0.258 244 D C -0.990 175.244 176.300 -0.109 0.000 1.223 244 D CA -1.679 52.244 54.000 -0.128 0.000 0.886 244 D CB 1.881 42.580 40.800 -0.168 0.000 1.120 244 D HN 0.100 nan 8.370 nan 0.000 0.482 245 P HA -0.050 nan 4.420 nan 0.000 0.225 245 P C 1.130 178.368 177.300 -0.103 0.000 1.156 245 P CA 0.390 63.445 63.100 -0.074 0.000 0.787 245 P CB 0.515 32.187 31.700 -0.046 0.000 0.802 246 S N -0.089 115.555 115.700 -0.093 0.000 2.395 246 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 246 S C 2.147 176.654 174.600 -0.155 0.000 1.027 246 S CA 1.207 59.334 58.200 -0.121 0.000 0.965 246 S CB -0.663 62.518 63.200 -0.032 0.000 0.812 246 S HN 0.210 nan 8.310 nan 0.000 0.482 247 S N 1.302 116.949 115.700 -0.088 0.000 2.383 247 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 247 S C 2.042 176.663 174.600 0.035 0.000 1.026 247 S CA 1.194 59.374 58.200 -0.034 0.000 0.981 247 S CB -0.590 62.272 63.200 -0.564 0.000 0.818 247 S HN 0.529 nan 8.310 nan 0.000 0.472 248 T N 2.546 117.054 114.554 -0.077 0.000 2.803 248 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 248 T C 2.088 176.765 174.700 -0.039 0.000 1.052 248 T CA 1.170 63.254 62.100 -0.026 0.000 1.136 248 T CB -0.485 68.349 68.868 -0.057 0.000 0.864 248 T HN 0.482 nan 8.240 nan 0.000 0.467 249 A N 0.615 123.317 122.820 -0.197 0.000 1.978 249 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 249 A C 1.917 179.349 177.584 -0.253 0.000 1.170 249 A CA 1.353 53.211 52.037 -0.299 0.000 0.636 249 A CB -0.955 17.748 19.000 -0.495 0.000 0.810 249 A HN 0.564 nan 8.150 nan 0.000 0.448 250 F N 0.416 120.469 119.950 0.171 0.000 2.084 250 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 250 F C 0.039 175.934 175.800 0.158 0.000 1.111 250 F CA 1.520 59.652 58.000 0.220 0.000 1.224 250 F CB -1.147 38.115 39.000 0.437 0.000 0.991 250 F HN 0.192 nan 8.300 nan 0.000 0.471 251 P HA -0.132 nan 4.420 nan 0.000 0.221 251 P C 1.939 179.289 177.300 0.084 0.000 1.150 251 P CA 1.231 64.427 63.100 0.161 0.000 0.800 251 P CB -0.037 31.754 31.700 0.151 0.000 0.787 252 L N -0.192 121.069 121.223 0.063 0.000 2.027 252 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 252 L C 2.392 179.264 176.870 0.003 0.000 1.074 252 L CA 1.501 56.349 54.840 0.014 0.000 0.745 252 L CB -0.688 41.361 42.059 -0.016 0.000 0.898 252 L HN -0.235 nan 8.230 nan 0.000 0.433 253 V N 0.243 120.160 119.914 0.005 0.000 2.427 253 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 253 V C 2.806 178.901 176.094 0.001 0.000 1.051 253 V CA 1.478 63.778 62.300 -0.001 0.000 1.048 253 V CB -0.854 30.968 31.823 -0.001 0.000 0.666 253 V HN 0.604 nan 8.190 nan 0.000 0.456 254 A N 0.185 123.024 122.820 0.032 0.000 1.908 254 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 254 A C 2.410 179.975 177.584 -0.032 0.000 1.181 254 A CA 2.190 54.227 52.037 -0.000 0.000 0.627 254 A CB -0.769 18.249 19.000 0.030 0.000 0.818 254 A HN 0.575 nan 8.150 nan 0.000 0.445 255 A N -0.556 122.255 122.820 -0.014 0.000 1.969 255 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 255 A C 2.131 179.696 177.584 -0.032 0.000 1.169 255 A CA 1.315 53.338 52.037 -0.023 0.000 0.635 255 A CB -0.511 18.483 19.000 -0.010 0.000 0.810 255 A HN 0.476 nan 8.150 nan 0.000 0.445 256 L N -0.808 120.397 121.223 -0.030 0.000 2.093 256 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 256 L C 2.413 179.253 176.870 -0.052 0.000 1.085 256 L CA 0.996 55.817 54.840 -0.031 0.000 0.755 256 L CB -0.412 41.634 42.059 -0.022 0.000 0.904 256 L HN 0.380 nan 8.230 nan 0.000 0.435 257 L N -1.191 119.979 121.223 -0.088 0.000 2.162 257 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 257 L C 0.824 177.586 176.870 -0.180 0.000 1.086 257 L CA -0.027 54.712 54.840 -0.168 0.000 0.778 257 L CB -0.109 41.766 42.059 -0.306 0.000 0.928 257 L HN -0.074 nan 8.230 nan 0.000 0.446 258 V N 2.005 121.835 119.914 -0.139 0.000 2.439 258 V HA 0.118 4.238 4.120 -0.000 0.000 0.271 258 V C -2.016 174.035 176.094 -0.072 0.000 1.040 258 V CA -1.269 60.964 62.300 -0.112 0.000 1.002 258 V CB 0.330 32.101 31.823 -0.086 0.000 1.000 258 V HN -0.001 nan 8.190 nan 0.000 0.477 259 P HA 0.198 nan 4.420 nan 0.000 0.267 259 P C 0.870 178.152 177.300 -0.030 0.000 1.200 259 P CA 1.052 64.130 63.100 -0.038 0.000 0.772 259 P CB 0.571 32.254 31.700 -0.028 0.000 0.855 260 G N 0.849 109.635 108.800 -0.023 0.000 2.147 260 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 260 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 260 G C 0.111 174.999 174.900 -0.020 0.000 1.005 260 G CA -0.105 44.984 45.100 -0.019 0.000 0.713 260 G HN 0.545 nan 8.290 nan 0.000 0.515 261 S N -0.037 115.650 115.700 -0.023 0.000 2.565 261 S HA 0.642 5.112 4.470 -0.000 0.000 0.290 261 S C -0.595 173.995 174.600 -0.017 0.000 1.150 261 S CA -0.451 57.735 58.200 -0.022 0.000 1.058 261 S CB 2.107 65.290 63.200 -0.028 0.000 1.032 261 S HN 0.375 nan 8.310 nan 0.000 0.510 262 D N 1.995 122.386 120.400 -0.014 0.000 2.319 262 D HA 0.341 4.981 4.640 -0.000 0.000 0.237 262 D C -1.613 174.682 176.300 -0.008 0.000 1.353 262 D CA -0.176 53.818 54.000 -0.010 0.000 0.992 262 D CB 1.137 41.931 40.800 -0.009 0.000 1.368 262 D HN 0.248 nan 8.370 nan 0.000 0.564 263 V N 2.649 122.560 119.914 -0.006 0.000 2.540 263 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 263 V C 0.222 176.317 176.094 0.002 0.000 1.035 263 V CA -0.489 61.811 62.300 -0.001 0.000 0.873 263 V CB 2.135 33.959 31.823 0.002 0.000 0.992 263 V HN 0.495 nan 8.190 nan 0.000 0.428 264 T N 5.945 120.501 114.554 0.004 0.000 2.779 264 T HA 0.695 5.045 4.350 -0.000 0.000 0.280 264 T C -0.473 174.233 174.700 0.009 0.000 0.987 264 T CA -0.129 61.974 62.100 0.004 0.000 0.966 264 T CB 1.005 69.874 68.868 0.002 0.000 0.933 264 T HN 0.353 nan 8.240 nan 0.000 0.442 265 I N 3.798 124.373 120.570 0.008 0.000 2.378 265 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 265 I C -0.221 175.898 176.117 0.003 0.000 0.992 265 I CA -0.528 60.779 61.300 0.011 0.000 1.154 265 I CB 1.168 39.176 38.000 0.013 0.000 1.315 265 I HN 0.375 nan 8.210 nan 0.000 0.448 266 L N 5.766 126.991 121.223 0.003 0.000 2.357 266 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 266 L C 1.022 177.887 176.870 -0.008 0.000 1.080 266 L CA -0.629 54.210 54.840 -0.001 0.000 0.803 266 L CB 0.594 42.654 42.059 0.002 0.000 1.174 266 L HN 0.784 nan 8.230 nan 0.000 0.443 267 N N 1.038 119.733 118.700 -0.008 0.000 2.738 267 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 267 N C -0.980 174.518 175.510 -0.021 0.000 1.047 267 N CA -0.258 52.785 53.050 -0.012 0.000 0.707 267 N CB -0.177 38.303 38.487 -0.012 0.000 0.937 267 N HN 0.315 nan 8.380 nan 0.000 0.545 268 V N 2.219 122.121 119.914 -0.020 0.000 2.461 268 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 268 V C 0.929 177.011 176.094 -0.020 0.000 1.047 268 V CA -0.677 61.607 62.300 -0.027 0.000 0.955 268 V CB 1.388 33.194 31.823 -0.027 0.000 0.988 268 V HN 0.292 nan 8.190 nan 0.000 0.471 269 L N 6.493 127.702 121.223 -0.023 0.000 2.499 269 L HA 0.153 4.493 4.340 -0.000 0.000 0.273 269 L C 0.657 177.528 176.870 0.002 0.000 1.195 269 L CA 1.101 55.939 54.840 -0.004 0.000 0.882 269 L CB 0.319 42.376 42.059 -0.003 0.000 1.133 269 L HN 0.604 nan 8.230 nan 0.000 0.483 270 M N 3.806 123.412 119.600 0.011 0.000 2.496 270 M HA 0.183 4.663 4.480 -0.000 0.000 0.330 270 M C 0.240 176.548 176.300 0.014 0.000 1.133 270 M CA -0.133 55.170 55.300 0.006 0.000 0.964 270 M CB -1.078 31.523 32.600 0.000 0.000 1.401 270 M HN 0.782 nan 8.290 nan 0.000 0.520 271 N N 3.886 122.606 118.700 0.032 0.000 2.411 271 N HA -0.008 4.731 4.740 -0.000 0.000 0.261 271 N C -1.339 174.177 175.510 0.009 0.000 1.248 271 N CA -0.623 52.445 53.050 0.030 0.000 0.885 271 N CB 1.241 39.769 38.487 0.068 0.000 1.062 271 N HN 0.023 nan 8.380 nan 0.000 0.471 272 P HA -0.159 nan 4.420 nan 0.000 0.223 272 P C 0.667 177.957 177.300 -0.016 0.000 1.144 272 P CA 1.193 64.287 63.100 -0.010 0.000 0.783 272 P CB -0.128 31.566 31.700 -0.010 0.000 0.771 273 T N -3.897 110.643 114.554 -0.024 0.000 3.160 273 T HA 0.108 4.457 4.350 -0.000 0.000 0.257 273 T C 1.430 176.122 174.700 -0.014 0.000 1.147 273 T CA 0.203 62.284 62.100 -0.032 0.000 1.064 273 T CB -0.333 68.493 68.868 -0.071 0.000 0.949 273 T HN 0.011 nan 8.240 nan 0.000 0.526 274 R N 0.773 121.273 120.500 -0.001 0.000 2.509 274 R HA 0.186 4.526 4.340 -0.000 0.000 0.297 274 R C 1.341 177.630 176.300 -0.019 0.000 0.951 274 R CA 0.656 56.762 56.100 0.009 0.000 1.103 274 R CB 0.070 30.400 30.300 0.050 0.000 1.283 274 R HN 0.620 nan 8.270 nan 0.000 0.534 275 T N -3.354 111.185 114.554 -0.026 0.000 3.215 275 T HA 0.171 4.521 4.350 -0.000 0.000 0.271 275 T C 1.552 176.220 174.700 -0.054 0.000 1.012 275 T CA 0.250 62.326 62.100 -0.040 0.000 0.899 275 T CB 0.798 69.649 68.868 -0.028 0.000 1.089 275 T HN 0.113 nan 8.240 nan 0.000 0.552 276 G N 2.006 110.769 108.800 -0.062 0.000 2.442 276 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 276 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 276 G C 1.241 176.075 174.900 -0.109 0.000 1.141 276 G CA 0.990 46.044 45.100 -0.076 0.000 0.763 276 G HN 0.515 nan 8.290 nan 0.000 0.554 277 L N 0.590 121.729 121.223 -0.139 0.000 2.056 277 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 277 L C 2.670 179.478 176.870 -0.104 0.000 1.078 277 L CA 1.327 56.074 54.840 -0.155 0.000 0.749 277 L CB -0.315 41.635 42.059 -0.182 0.000 0.901 277 L HN 0.252 nan 8.230 nan 0.000 0.433 278 I N -0.926 119.594 120.570 -0.083 0.000 2.208 278 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 278 I C 2.390 178.479 176.117 -0.048 0.000 1.097 278 I CA 1.313 62.577 61.300 -0.060 0.000 1.363 278 I CB -0.446 37.525 38.000 -0.048 0.000 1.051 278 I HN 0.368 nan 8.210 nan 0.000 0.413 279 L N 0.482 121.677 121.223 -0.046 0.000 2.012 279 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 279 L C 2.454 179.304 176.870 -0.035 0.000 1.073 279 L CA 2.194 57.013 54.840 -0.034 0.000 0.748 279 L CB -1.078 40.962 42.059 -0.031 0.000 0.891 279 L HN 0.153 nan 8.230 nan 0.000 0.431 280 T N 0.097 114.622 114.554 -0.048 0.000 2.708 280 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 280 T C 1.989 176.668 174.700 -0.035 0.000 1.037 280 T CA 1.937 64.011 62.100 -0.044 0.000 1.146 280 T CB -0.404 68.422 68.868 -0.069 0.000 0.865 280 T HN 0.328 nan 8.240 nan 0.000 0.435 281 L N 0.717 121.914 121.223 -0.043 0.000 2.083 281 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 281 L C 2.923 179.782 176.870 -0.019 0.000 1.083 281 L CA 1.339 56.161 54.840 -0.030 0.000 0.752 281 L CB -0.611 41.425 42.059 -0.037 0.000 0.899 281 L HN 0.322 nan 8.230 nan 0.000 0.433 282 Q N -0.119 119.668 119.800 -0.021 0.000 2.084 282 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 282 Q C 2.065 178.059 176.000 -0.009 0.000 0.978 282 Q CA 1.505 57.300 55.803 -0.015 0.000 0.844 282 Q CB -0.094 28.635 28.738 -0.016 0.000 0.898 282 Q HN 0.552 nan 8.270 nan 0.000 0.426 283 E N 0.166 120.360 120.200 -0.010 0.000 2.204 283 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 283 E C 1.660 178.259 176.600 -0.001 0.000 0.989 283 E CA 0.771 57.168 56.400 -0.005 0.000 0.824 283 E CB -0.004 29.693 29.700 -0.005 0.000 0.756 283 E HN 0.403 nan 8.360 nan 0.000 0.477 284 M N -0.948 118.652 119.600 -0.001 0.000 2.595 284 M HA 0.070 4.550 4.480 -0.000 0.000 0.248 284 M C 1.079 177.383 176.300 0.007 0.000 1.119 284 M CA 0.773 56.076 55.300 0.005 0.000 1.079 284 M CB 0.771 33.375 32.600 0.007 0.000 1.472 284 M HN 0.267 nan 8.290 nan 0.000 0.501 285 G N 0.379 109.181 108.800 0.002 0.000 2.154 285 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.186 285 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.186 285 G C 0.085 174.985 174.900 0.001 0.000 1.000 285 G CA -0.188 44.913 45.100 0.003 0.000 0.664 285 G HN 0.646 nan 8.290 nan 0.000 0.513 286 A N 0.173 122.991 122.820 -0.003 0.000 2.462 286 A HA 0.510 4.830 4.320 -0.000 0.000 0.243 286 A C 0.304 177.883 177.584 -0.008 0.000 1.076 286 A CA 0.534 52.567 52.037 -0.006 0.000 0.773 286 A CB 0.471 19.464 19.000 -0.012 0.000 1.010 286 A HN 0.359 nan 8.150 nan 0.000 0.493 287 D N 2.254 122.650 120.400 -0.008 0.000 2.468 287 D HA 0.418 5.058 4.640 -0.000 0.000 0.218 287 D C -0.823 175.471 176.300 -0.010 0.000 1.155 287 D CA 0.155 54.150 54.000 -0.008 0.000 0.924 287 D CB -0.245 40.551 40.800 -0.007 0.000 1.029 287 D HN 0.357 nan 8.370 nan 0.000 0.515 288 I N 2.749 123.312 120.570 -0.011 0.000 2.410 288 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 288 I C 0.177 176.287 176.117 -0.011 0.000 1.009 288 I CA -0.762 60.530 61.300 -0.013 0.000 1.111 288 I CB 1.939 39.928 38.000 -0.017 0.000 1.262 288 I HN 0.159 nan 8.210 nan 0.000 0.443 289 E N 6.019 126.214 120.200 -0.009 0.000 2.156 289 E HA 0.407 4.757 4.350 -0.000 0.000 0.279 289 E C -1.249 175.346 176.600 -0.008 0.000 0.965 289 E CA -0.655 55.741 56.400 -0.008 0.000 0.789 289 E CB 1.787 31.484 29.700 -0.006 0.000 1.098 289 E HN 0.320 nan 8.360 nan 0.000 0.397 290 V N 6.921 126.830 119.914 -0.008 0.000 2.385 290 V HA 0.277 4.397 4.120 -0.000 0.000 0.269 290 V C 0.168 176.259 176.094 -0.005 0.000 1.043 290 V CA -0.188 62.108 62.300 -0.007 0.000 0.906 290 V CB 0.517 32.335 31.823 -0.008 0.000 0.995 290 V HN 0.595 nan 8.190 nan 0.000 0.467 291 I N 4.383 124.950 120.570 -0.005 0.000 2.474 291 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 291 I C 0.570 176.685 176.117 -0.002 0.000 1.005 291 I CA -0.814 60.484 61.300 -0.003 0.000 1.113 291 I CB 1.517 39.516 38.000 -0.003 0.000 1.289 291 I HN 0.666 nan 8.210 nan 0.000 0.436 292 N N 4.560 123.259 118.700 -0.002 0.000 2.688 292 N HA -0.118 4.622 4.740 -0.000 0.000 0.258 292 N C -2.385 173.125 175.510 -0.000 0.000 1.016 292 N CA -0.006 53.044 53.050 -0.001 0.000 0.747 292 N CB -0.548 37.939 38.487 -0.000 0.000 0.895 292 N HN 0.302 nan 8.380 nan 0.000 0.543 293 P HA 0.078 nan 4.420 nan 0.000 0.267 293 P C -0.231 177.070 177.300 0.002 0.000 1.205 293 P CA 0.554 63.655 63.100 0.000 0.000 0.765 293 P CB 0.580 32.280 31.700 0.000 0.000 0.828 294 R N 1.666 122.168 120.500 0.003 0.000 2.747 294 R HA 0.678 5.018 4.340 -0.000 0.000 0.272 294 R C -1.648 174.656 176.300 0.007 0.000 1.032 294 R CA -1.273 54.829 56.100 0.004 0.000 0.896 294 R CB 0.577 30.880 30.300 0.004 0.000 1.253 294 R HN 0.261 nan 8.270 nan 0.000 0.461 295 L N 0.885 122.113 121.223 0.008 0.000 2.287 295 L HA 0.775 5.115 4.340 -0.000 0.000 0.287 295 L C -1.259 175.617 176.870 0.011 0.000 1.022 295 L CA -0.188 54.659 54.840 0.011 0.000 0.814 295 L CB 1.566 43.632 42.059 0.012 0.000 1.217 295 L HN 0.889 nan 8.230 nan 0.000 0.420 296 A N 3.451 126.279 122.820 0.012 0.000 2.408 296 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 296 A C 0.574 178.167 177.584 0.015 0.000 1.040 296 A CA -0.064 51.980 52.037 0.011 0.000 0.707 296 A CB 1.131 20.135 19.000 0.007 0.000 1.235 296 A HN 1.638 nan 8.150 nan 0.000 0.418 297 G N 1.068 109.877 108.800 0.016 0.000 2.258 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.274 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.274 297 G C 1.673 176.592 174.900 0.032 0.000 1.021 297 G CA 1.427 46.540 45.100 0.021 0.000 0.798 297 G HN 2.884 nan 8.290 nan 0.000 0.507 298 G N -2.069 106.749 108.800 0.030 0.000 2.162 298 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 298 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 298 G C 0.053 174.982 174.900 0.048 0.000 0.976 298 G CA 1.095 46.219 45.100 0.040 0.000 0.655 298 G HN 0.951 nan 8.290 nan 0.000 0.533 299 E N 0.293 120.518 120.200 0.042 0.000 2.336 299 E HA 0.377 4.727 4.350 -0.000 0.000 0.267 299 E C -0.948 175.671 176.600 0.031 0.000 0.906 299 E CA -0.739 55.689 56.400 0.047 0.000 0.781 299 E CB 1.123 30.856 29.700 0.055 0.000 1.261 299 E HN 0.236 nan 8.360 nan 0.000 0.436 300 D N 1.379 121.797 120.400 0.031 0.000 2.308 300 D HA 0.265 4.905 4.640 -0.000 0.000 0.251 300 D C 0.042 176.351 176.300 0.015 0.000 1.127 300 D CA 0.017 54.029 54.000 0.020 0.000 0.876 300 D CB 1.355 42.166 40.800 0.017 0.000 1.176 300 D HN 0.176 nan 8.370 nan 0.000 0.446 301 V N -1.371 118.548 119.914 0.008 0.000 3.130 301 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 301 V C -0.892 175.202 176.094 -0.000 0.000 1.158 301 V CA -0.824 61.477 62.300 0.002 0.000 1.029 301 V CB 1.780 33.603 31.823 -0.001 0.000 1.057 301 V HN 0.688 nan 8.190 nan 0.000 0.436 302 A N 0.891 123.708 122.820 -0.004 0.000 2.586 302 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 302 A C -1.836 175.745 177.584 -0.006 0.000 1.086 302 A CA -0.662 51.373 52.037 -0.004 0.000 0.665 302 A CB 1.611 20.608 19.000 -0.005 0.000 1.279 302 A HN 0.893 nan 8.150 nan 0.000 0.423 303 D N 0.640 121.037 120.400 -0.005 0.000 2.181 303 D HA 0.598 5.238 4.640 -0.000 0.000 0.248 303 D C -0.812 175.484 176.300 -0.006 0.000 1.020 303 D CA 0.088 54.085 54.000 -0.005 0.000 0.891 303 D CB 1.619 42.417 40.800 -0.003 0.000 1.187 303 D HN 0.415 nan 8.370 nan 0.000 0.443 304 L N 1.447 122.666 121.223 -0.006 0.000 2.349 304 L HA 0.447 4.787 4.340 -0.000 0.000 0.278 304 L C 0.238 177.105 176.870 -0.005 0.000 0.996 304 L CA -0.768 54.067 54.840 -0.008 0.000 0.825 304 L CB 1.968 44.019 42.059 -0.012 0.000 1.243 304 L HN 0.070 nan 8.230 nan 0.000 0.412 305 R N 2.905 123.401 120.500 -0.006 0.000 2.255 305 R HA 0.665 5.005 4.340 -0.000 0.000 0.326 305 R C -1.432 174.865 176.300 -0.006 0.000 0.986 305 R CA -0.459 55.638 56.100 -0.005 0.000 0.847 305 R CB 1.416 31.713 30.300 -0.004 0.000 1.111 305 R HN 0.445 nan 8.270 nan 0.000 0.452 306 V N 5.232 125.143 119.914 -0.006 0.000 2.487 306 V HA 0.536 4.656 4.120 -0.000 0.000 0.298 306 V C -0.090 175.999 176.094 -0.009 0.000 1.028 306 V CA -0.845 61.450 62.300 -0.008 0.000 0.860 306 V CB 1.658 33.476 31.823 -0.008 0.000 0.991 306 V HN 0.798 nan 8.190 nan 0.000 0.427 307 R N 1.818 122.312 120.500 -0.010 0.000 2.803 307 R HA 0.593 4.932 4.340 -0.000 0.000 0.276 307 R C -0.180 176.112 176.300 -0.014 0.000 0.978 307 R CA -0.682 55.411 56.100 -0.012 0.000 0.939 307 R CB 2.068 32.363 30.300 -0.009 0.000 1.179 307 R HN 0.742 nan 8.270 nan 0.000 0.472 308 S N 1.096 116.786 115.700 -0.017 0.000 2.593 308 S HA 0.044 4.514 4.470 -0.000 0.000 0.300 308 S C -0.351 174.241 174.600 -0.014 0.000 1.267 308 S CA 0.272 58.459 58.200 -0.021 0.000 1.065 308 S CB 0.338 63.524 63.200 -0.023 0.000 0.807 308 S HN 0.482 nan 8.310 nan 0.000 0.499 309 S N 1.024 116.717 115.700 -0.012 0.000 2.588 309 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 309 S C -0.280 174.322 174.600 0.004 0.000 1.130 309 S CA -1.132 57.066 58.200 -0.003 0.000 0.855 309 S CB 1.974 65.172 63.200 -0.003 0.000 1.116 309 S HN 0.791 nan 8.310 nan 0.000 0.472 310 T N 0.664 115.224 114.554 0.011 0.000 2.767 310 T HA 0.699 5.049 4.350 -0.000 0.000 0.288 310 T C -0.349 174.366 174.700 0.025 0.000 0.963 310 T CA -0.631 61.482 62.100 0.022 0.000 1.019 310 T CB -0.169 68.711 68.868 0.020 0.000 0.923 310 T HN 0.399 nan 8.240 nan 0.000 0.468 311 L N 2.414 123.660 121.223 0.038 0.000 2.334 311 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 311 L C 0.348 177.240 176.870 0.037 0.000 1.020 311 L CA -1.135 53.727 54.840 0.037 0.000 0.812 311 L CB 1.752 43.840 42.059 0.048 0.000 1.264 311 L HN 0.584 nan 8.230 nan 0.000 0.439 312 K N 0.329 120.745 120.400 0.027 0.000 2.371 312 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 312 K C -0.190 176.423 176.600 0.021 0.000 0.934 312 K CA -0.735 55.566 56.287 0.023 0.000 0.798 312 K CB 2.147 34.657 32.500 0.017 0.000 1.204 312 K HN 0.746 nan 8.250 nan 0.000 0.427 313 G N 0.937 109.749 108.800 0.020 0.000 2.491 313 G HA2 0.364 4.324 3.960 -0.000 0.000 0.238 313 G HA3 0.364 4.324 3.960 -0.000 0.000 0.238 313 G C -0.140 174.770 174.900 0.017 0.000 1.277 313 G CA -0.254 44.857 45.100 0.019 0.000 0.851 313 G HN 0.379 nan 8.290 nan 0.000 0.573 314 V N -1.258 118.667 119.914 0.018 0.000 3.181 314 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 314 V C -0.049 176.058 176.094 0.023 0.000 1.214 314 V CA -1.089 61.221 62.300 0.017 0.000 1.053 314 V CB 1.637 33.468 31.823 0.013 0.000 1.069 314 V HN 0.653 nan 8.190 nan 0.000 0.441 315 T N 1.675 116.242 114.554 0.021 0.000 2.767 315 T HA 0.597 4.947 4.350 -0.000 0.000 0.288 315 T C -0.346 174.375 174.700 0.034 0.000 0.963 315 T CA -0.168 61.948 62.100 0.027 0.000 1.019 315 T CB 1.105 69.985 68.868 0.020 0.000 0.923 315 T HN 0.728 nan 8.240 nan 0.000 0.468 316 V N 7.806 127.752 119.914 0.054 0.000 2.293 316 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 316 V C -1.847 174.295 176.094 0.081 0.000 1.021 316 V CA -2.000 60.345 62.300 0.075 0.000 0.815 316 V CB 0.714 32.612 31.823 0.125 0.000 1.025 316 V HN 0.719 nan 8.190 nan 0.000 0.448 317 P HA 0.102 nan 4.420 nan 0.000 0.272 317 P C 0.858 178.192 177.300 0.057 0.000 1.223 317 P CA -0.094 63.033 63.100 0.045 0.000 0.784 317 P CB 1.058 32.776 31.700 0.029 0.000 0.923 318 E N 2.615 122.836 120.200 0.035 0.000 2.160 318 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 318 E C 0.740 177.362 176.600 0.037 0.000 0.991 318 E CA 1.767 58.184 56.400 0.028 0.000 0.810 318 E CB -1.027 28.675 29.700 0.003 0.000 0.742 318 E HN 0.530 nan 8.360 nan 0.000 0.466 319 D N 0.792 121.210 120.400 0.030 0.000 2.371 319 D HA -0.165 4.475 4.640 -0.000 0.000 0.221 319 D C 1.919 178.241 176.300 0.036 0.000 0.986 319 D CA 0.441 54.457 54.000 0.026 0.000 0.899 319 D CB -0.493 40.316 40.800 0.015 0.000 0.902 319 D HN 0.252 nan 8.370 nan 0.000 0.530 320 R N 0.111 120.643 120.500 0.054 0.000 2.254 320 R HA 0.231 4.571 4.340 -0.000 0.000 0.195 320 R C 2.057 178.411 176.300 0.090 0.000 0.957 320 R CA 0.648 56.780 56.100 0.053 0.000 1.024 320 R CB 0.022 30.349 30.300 0.045 0.000 0.952 320 R HN 0.113 nan 8.270 nan 0.000 0.484 321 A N 2.145 125.054 122.820 0.149 0.000 1.892 321 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 321 A C -0.560 177.126 177.584 0.171 0.000 1.188 321 A CA 1.229 53.416 52.037 0.249 0.000 0.631 321 A CB -1.369 17.735 19.000 0.174 0.000 0.822 321 A HN 0.297 nan 8.150 nan 0.000 0.447 322 P HA -0.139 nan 4.420 nan 0.000 0.218 322 P C 1.595 178.921 177.300 0.044 0.000 1.148 322 P CA 1.834 64.970 63.100 0.060 0.000 0.822 322 P CB -0.174 31.546 31.700 0.033 0.000 0.784 323 S N -1.287 114.430 115.700 0.029 0.000 2.603 323 S HA 0.032 4.502 4.470 -0.000 0.000 0.220 323 S C 1.161 175.748 174.600 -0.021 0.000 0.967 323 S CA 0.361 58.561 58.200 0.001 0.000 0.920 323 S CB -0.999 62.195 63.200 -0.009 0.000 0.773 323 S HN 0.261 nan 8.310 nan 0.000 0.529 324 M N -1.985 117.604 119.600 -0.020 0.000 4.202 324 M HA 0.474 4.954 4.480 -0.000 0.000 0.547 324 M C 0.546 176.803 176.300 -0.073 0.000 1.902 324 M CA -0.408 54.826 55.300 -0.110 0.000 0.619 324 M CB -0.321 32.129 32.600 -0.250 0.000 1.492 324 M HN 0.061 nan 8.290 nan 0.000 0.589 325 I N 2.582 123.214 120.570 0.103 0.000 2.264 325 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 325 I C 1.398 177.643 176.117 0.213 0.000 1.111 325 I CA 2.142 63.594 61.300 0.255 0.000 1.382 325 I CB -0.023 38.077 38.000 0.167 0.000 1.060 325 I HN 0.371 nan 8.210 nan 0.000 0.418 326 D N -0.032 120.422 120.400 0.090 0.000 2.355 326 D HA -0.053 4.587 4.640 -0.000 0.000 0.218 326 D C 1.509 177.813 176.300 0.007 0.000 1.004 326 D CA 0.456 54.498 54.000 0.070 0.000 0.880 326 D CB 0.065 40.902 40.800 0.063 0.000 0.911 326 D HN 0.391 nan 8.370 nan 0.000 0.528 327 E N -0.956 119.197 120.200 -0.079 0.000 2.474 327 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 327 E C 0.975 177.457 176.600 -0.197 0.000 1.039 327 E CA -0.109 56.182 56.400 -0.182 0.000 0.881 327 E CB -0.085 29.462 29.700 -0.254 0.000 0.970 327 E HN 0.358 nan 8.360 nan 0.000 0.486 328 Y N 0.162 120.448 120.300 -0.023 0.000 2.224 328 Y HA -0.101 4.449 4.550 -0.000 0.000 0.289 328 Y C -0.728 175.168 175.900 -0.007 0.000 1.146 328 Y CA 1.133 59.226 58.100 -0.011 0.000 1.182 328 Y CB -1.104 37.357 38.460 0.002 0.000 0.983 328 Y HN 0.205 nan 8.280 nan 0.000 0.524 329 P HA -0.202 nan 4.420 nan 0.000 0.215 329 P C 1.635 178.937 177.300 0.004 0.000 1.157 329 P CA 1.421 64.570 63.100 0.081 0.000 0.868 329 P CB 0.003 31.764 31.700 0.101 0.000 0.788 330 I N -1.200 119.369 120.570 -0.002 0.000 2.546 330 I HA -0.126 4.044 4.170 -0.000 0.000 0.255 330 I C 1.850 177.940 176.117 -0.045 0.000 1.163 330 I CA 0.955 62.241 61.300 -0.024 0.000 1.457 330 I CB -0.855 37.081 38.000 -0.107 0.000 1.092 330 I HN -0.199 nan 8.210 nan 0.000 0.434 331 L N 0.907 122.091 121.223 -0.064 0.000 2.093 331 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 331 L C 2.450 179.325 176.870 0.008 0.000 1.085 331 L CA 2.160 56.969 54.840 -0.052 0.000 0.755 331 L CB -1.180 40.811 42.059 -0.112 0.000 0.904 331 L HN 0.225 nan 8.230 nan 0.000 0.435 332 A N -1.085 121.753 122.820 0.031 0.000 1.933 332 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 332 A C 2.265 179.854 177.584 0.009 0.000 1.175 332 A CA 1.918 53.979 52.037 0.040 0.000 0.628 332 A CB -1.060 17.978 19.000 0.065 0.000 0.814 332 A HN 0.313 nan 8.150 nan 0.000 0.444 333 V N -0.271 119.625 119.914 -0.029 0.000 2.358 333 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 333 V C 3.038 179.234 176.094 0.170 0.000 1.047 333 V CA 1.824 64.130 62.300 0.010 0.000 1.035 333 V CB -1.104 30.680 31.823 -0.066 0.000 0.658 333 V HN 0.615 nan 8.190 nan 0.000 0.452 334 A N 0.061 122.952 122.820 0.119 0.000 1.902 334 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 334 A C 2.396 180.074 177.584 0.156 0.000 1.181 334 A CA 1.963 54.094 52.037 0.157 0.000 0.623 334 A CB -0.741 18.295 19.000 0.060 0.000 0.818 334 A HN 0.572 nan 8.150 nan 0.000 0.443 335 A N -0.278 122.588 122.820 0.077 0.000 2.019 335 A HA 0.217 4.537 4.320 -0.000 0.000 0.219 335 A C 2.307 179.889 177.584 -0.003 0.000 1.164 335 A CA 1.680 53.742 52.037 0.043 0.000 0.644 335 A CB -0.769 18.249 19.000 0.030 0.000 0.805 335 A HN 1.073 nan 8.150 nan 0.000 0.449 336 A N -1.840 120.945 122.820 -0.059 0.000 2.172 336 A HA 0.194 4.514 4.320 -0.000 0.000 0.216 336 A C 1.193 178.450 177.584 -0.546 0.000 1.154 336 A CA 0.863 52.724 52.037 -0.294 0.000 0.701 336 A CB -0.550 18.214 19.000 -0.393 0.000 0.789 336 A HN 0.494 nan 8.150 nan 0.000 0.465 337 F N -1.123 118.835 119.950 0.014 0.000 2.683 337 F HA 0.510 5.037 4.527 -0.000 0.000 0.306 337 F C 1.001 176.807 175.800 0.010 0.000 1.102 337 F CA -0.079 57.929 58.000 0.013 0.000 1.244 337 F CB 0.274 39.281 39.000 0.011 0.000 1.029 337 F HN 0.173 nan 8.300 nan 0.000 0.545 338 A N 0.099 122.982 122.820 0.106 0.000 2.282 338 A HA 0.557 4.877 4.320 -0.000 0.000 0.319 338 A C -0.248 177.361 177.584 0.041 0.000 1.121 338 A CA -0.459 51.623 52.037 0.075 0.000 0.836 338 A CB 0.550 19.583 19.000 0.056 0.000 1.146 338 A HN 0.128 nan 8.150 nan 0.000 0.494 339 E N 0.551 120.774 120.200 0.038 0.000 2.299 339 E HA 0.461 4.811 4.350 -0.000 0.000 0.272 339 E C 0.746 177.356 176.600 0.016 0.000 1.043 339 E CA 1.562 57.977 56.400 0.025 0.000 0.895 339 E CB -0.167 29.548 29.700 0.025 0.000 1.011 339 E HN 1.719 nan 8.360 nan 0.000 0.432 340 G N 2.796 111.602 108.800 0.010 0.000 2.587 340 G HA2 0.109 4.069 3.960 -0.000 0.000 0.212 340 G HA3 0.109 4.069 3.960 -0.000 0.000 0.212 340 G C -0.539 174.364 174.900 0.005 0.000 1.327 340 G CA -0.481 44.623 45.100 0.007 0.000 0.898 340 G HN 0.982 nan 8.290 nan 0.000 0.551 341 A N -0.734 122.090 122.820 0.007 0.000 2.306 341 A HA 0.847 5.167 4.320 -0.000 0.000 0.314 341 A C 0.296 177.888 177.584 0.013 0.000 1.164 341 A CA 0.711 52.752 52.037 0.008 0.000 0.822 341 A CB 1.240 20.244 19.000 0.007 0.000 1.130 341 A HN 1.500 nan 8.150 nan 0.000 0.496 342 T N 1.693 116.258 114.554 0.017 0.000 2.792 342 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 342 T C -0.706 174.013 174.700 0.031 0.000 0.990 342 T CA -0.256 61.859 62.100 0.027 0.000 0.960 342 T CB 1.188 70.076 68.868 0.032 0.000 0.939 342 T HN 0.440 nan 8.240 nan 0.000 0.439 343 V N 4.925 124.859 119.914 0.034 0.000 2.540 343 V HA 0.570 4.690 4.120 -0.000 0.000 0.302 343 V C -0.509 175.616 176.094 0.051 0.000 1.035 343 V CA -0.758 61.563 62.300 0.034 0.000 0.873 343 V CB 1.677 33.513 31.823 0.021 0.000 0.992 343 V HN 0.867 nan 8.190 nan 0.000 0.428 344 M N 6.295 125.926 119.600 0.052 0.000 2.197 344 M HA 0.517 4.997 4.480 -0.000 0.000 0.301 344 M C -0.501 175.791 176.300 -0.015 0.000 0.987 344 M CA -0.468 54.874 55.300 0.070 0.000 0.921 344 M CB 1.874 34.566 32.600 0.153 0.000 1.569 344 M HN 0.795 nan 8.290 nan 0.000 0.431 345 N N 1.013 119.701 118.700 -0.019 0.000 2.815 345 N HA 0.669 5.409 4.740 -0.000 0.000 0.315 345 N C 0.511 175.970 175.510 -0.085 0.000 1.320 345 N CA -0.115 52.903 53.050 -0.053 0.000 0.846 345 N CB 0.937 39.410 38.487 -0.024 0.000 1.344 345 N HN 0.797 nan 8.380 nan 0.000 0.593 346 G N -0.827 107.928 108.800 -0.076 0.000 2.221 346 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.265 346 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.265 346 G C 0.154 174.972 174.900 -0.137 0.000 1.041 346 G CA 0.571 45.625 45.100 -0.076 0.000 0.807 346 G HN 0.518 nan 8.290 nan 0.000 0.502 347 L N 0.362 121.476 121.223 -0.181 0.000 2.685 347 L HA 0.156 4.496 4.340 -0.000 0.000 0.233 347 L C 2.453 179.235 176.870 -0.147 0.000 1.173 347 L CA 0.435 55.125 54.840 -0.250 0.000 0.961 347 L CB -0.179 41.684 42.059 -0.327 0.000 1.217 347 L HN 0.498 nan 8.230 nan 0.000 0.478 348 E N 0.506 120.650 120.200 -0.094 0.000 2.147 348 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 348 E C 1.095 177.665 176.600 -0.050 0.000 1.005 348 E CA 1.388 57.751 56.400 -0.061 0.000 0.810 348 E CB -0.187 29.488 29.700 -0.043 0.000 0.736 348 E HN 0.479 nan 8.360 nan 0.000 0.460 349 E N 0.870 121.042 120.200 -0.046 0.000 2.265 349 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 349 E C 2.361 178.951 176.600 -0.017 0.000 0.996 349 E CA 0.422 56.808 56.400 -0.023 0.000 0.832 349 E CB -0.208 29.489 29.700 -0.006 0.000 0.756 349 E HN 0.428 nan 8.360 nan 0.000 0.491 350 L N 0.190 121.389 121.223 -0.040 0.000 2.191 350 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 350 L C 2.317 179.179 176.870 -0.013 0.000 1.103 350 L CA 0.898 55.726 54.840 -0.021 0.000 0.769 350 L CB -0.298 41.729 42.059 -0.054 0.000 0.908 350 L HN 0.009 nan 8.230 nan 0.000 0.438 351 R N -0.069 120.415 120.500 -0.026 0.000 2.307 351 R HA -0.035 4.305 4.340 -0.000 0.000 0.199 351 R C 1.352 177.642 176.300 -0.017 0.000 1.000 351 R CA 0.868 56.953 56.100 -0.026 0.000 1.023 351 R CB 0.053 30.334 30.300 -0.032 0.000 0.908 351 R HN 0.378 nan 8.270 nan 0.000 0.473 352 V N -2.408 117.502 119.914 -0.007 0.000 3.176 352 V HA 0.256 4.376 4.120 -0.000 0.000 0.332 352 V C 0.403 176.505 176.094 0.014 0.000 1.414 352 V CA -0.466 61.834 62.300 -0.000 0.000 1.133 352 V CB -0.025 31.796 31.823 -0.004 0.000 1.088 352 V HN -0.110 nan 8.190 nan 0.000 0.473 353 K N 0.986 121.402 120.400 0.026 0.000 2.731 353 K HA 0.354 4.674 4.320 -0.000 0.000 0.284 353 K C 1.287 177.925 176.600 0.063 0.000 1.027 353 K CA -0.051 56.267 56.287 0.052 0.000 1.040 353 K CB 0.500 33.041 32.500 0.068 0.000 1.334 353 K HN 0.154 nan 8.250 nan 0.000 0.498 354 E N 0.677 120.937 120.200 0.100 0.000 2.147 354 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 354 E C 0.554 177.212 176.600 0.096 0.000 1.005 354 E CA 1.499 57.969 56.400 0.116 0.000 0.810 354 E CB -0.003 29.809 29.700 0.188 0.000 0.736 354 E HN 0.540 nan 8.360 nan 0.000 0.460 355 S N -0.750 114.999 115.700 0.082 0.000 2.667 355 S HA 0.277 4.747 4.470 -0.000 0.000 0.292 355 S C -0.921 173.680 174.600 0.002 0.000 1.126 355 S CA -1.166 57.061 58.200 0.045 0.000 0.881 355 S CB 1.710 64.962 63.200 0.086 0.000 1.132 355 S HN -0.032 nan 8.310 nan 0.000 0.492 356 D N 0.177 120.539 120.400 -0.063 0.000 2.359 356 D HA 0.211 4.851 4.640 -0.000 0.000 0.250 356 D C 0.908 177.189 176.300 -0.031 0.000 1.264 356 D CA -0.137 53.830 54.000 -0.055 0.000 0.911 356 D CB 0.412 41.157 40.800 -0.092 0.000 1.056 356 D HN 0.542 nan 8.370 nan 0.000 0.499 357 R N 2.502 123.008 120.500 0.010 0.000 2.148 357 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 357 R C 1.719 178.048 176.300 0.048 0.000 1.088 357 R CA 0.313 56.442 56.100 0.049 0.000 0.985 357 R CB 0.044 30.385 30.300 0.069 0.000 0.880 357 R HN 0.362 nan 8.270 nan 0.000 0.451 358 L N 0.310 121.539 121.223 0.010 0.000 2.027 358 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 358 L C 2.229 179.108 176.870 0.016 0.000 1.074 358 L CA 1.821 56.663 54.840 0.004 0.000 0.745 358 L CB -0.827 41.213 42.059 -0.032 0.000 0.898 358 L HN -0.002 nan 8.230 nan 0.000 0.433 359 S N -0.843 114.852 115.700 -0.008 0.000 2.355 359 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 359 S C 2.147 176.754 174.600 0.012 0.000 1.031 359 S CA 1.199 59.390 58.200 -0.015 0.000 0.993 359 S CB -0.409 62.754 63.200 -0.061 0.000 0.859 359 S HN 0.613 nan 8.310 nan 0.000 0.453 360 A N 0.716 123.549 122.820 0.022 0.000 1.902 360 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 360 A C 2.335 180.003 177.584 0.141 0.000 1.181 360 A CA 1.735 53.828 52.037 0.093 0.000 0.623 360 A CB -0.974 18.112 19.000 0.143 0.000 0.818 360 A HN 0.452 nan 8.150 nan 0.000 0.443 361 V N -0.246 119.783 119.914 0.193 0.000 2.307 361 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 361 V C 3.068 179.311 176.094 0.249 0.000 1.045 361 V CA 1.863 64.355 62.300 0.320 0.000 1.024 361 V CB -1.175 30.788 31.823 0.232 0.000 0.651 361 V HN 0.612 nan 8.190 nan 0.000 0.449 362 A N 0.491 123.389 122.820 0.130 0.000 1.883 362 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 362 A C 2.045 179.667 177.584 0.063 0.000 1.186 362 A CA 2.216 54.306 52.037 0.088 0.000 0.624 362 A CB -0.726 18.302 19.000 0.045 0.000 0.822 362 A HN 0.590 nan 8.150 nan 0.000 0.444 363 N N 0.160 118.881 118.700 0.035 0.000 2.120 363 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 363 N C 1.821 177.287 175.510 -0.073 0.000 1.024 363 N CA 1.474 54.519 53.050 -0.007 0.000 0.852 363 N CB -0.870 37.616 38.487 -0.001 0.000 1.003 363 N HN 0.473 nan 8.380 nan 0.000 0.424 364 G N 1.157 109.860 108.800 -0.161 0.000 2.418 364 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 364 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 364 G C 1.660 176.455 174.900 -0.175 0.000 1.158 364 G CA 0.383 45.145 45.100 -0.564 0.000 0.771 364 G HN 0.225 nan 8.290 nan 0.000 0.545 365 L N -0.069 121.269 121.223 0.192 0.000 2.017 365 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 365 L C 2.999 179.922 176.870 0.088 0.000 1.073 365 L CA 1.402 56.386 54.840 0.241 0.000 0.745 365 L CB -0.306 41.871 42.059 0.197 0.000 0.894 365 L HN 0.179 nan 8.230 nan 0.000 0.432 366 K N -0.237 120.188 120.400 0.041 0.000 2.097 366 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 366 K C 1.998 178.598 176.600 -0.001 0.000 1.049 366 K CA 1.117 57.412 56.287 0.014 0.000 0.933 366 K CB -0.303 32.201 32.500 0.006 0.000 0.717 366 K HN 0.078 nan 8.250 nan 0.000 0.442 367 L N 1.689 122.897 121.223 -0.025 0.000 2.191 367 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 367 L C 0.712 177.574 176.870 -0.013 0.000 1.103 367 L CA 1.676 56.493 54.840 -0.038 0.000 0.769 367 L CB -0.167 41.839 42.059 -0.088 0.000 0.908 367 L HN 0.148 nan 8.230 nan 0.000 0.438 368 N N -0.042 118.667 118.700 0.015 0.000 2.320 368 N HA 0.197 4.937 4.740 -0.000 0.000 0.237 368 N C 0.987 176.520 175.510 0.038 0.000 1.129 368 N CA 0.748 53.829 53.050 0.051 0.000 0.854 368 N CB 0.446 39.007 38.487 0.124 0.000 1.083 368 N HN 0.429 nan 8.380 nan 0.000 0.504 369 G N 0.159 108.969 108.800 0.017 0.000 2.155 369 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 369 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 369 G C 0.102 174.993 174.900 -0.015 0.000 0.983 369 G CA 0.148 45.249 45.100 0.002 0.000 0.676 369 G HN 0.215 nan 8.290 nan 0.000 0.528 370 V N 0.885 120.792 119.914 -0.011 0.000 2.546 370 V HA 0.445 4.564 4.120 -0.000 0.000 0.284 370 V C 0.452 176.536 176.094 -0.017 0.000 1.050 370 V CA -0.372 61.907 62.300 -0.034 0.000 0.981 370 V CB 1.807 33.612 31.823 -0.031 0.000 0.990 370 V HN 0.373 nan 8.190 nan 0.000 0.474 371 D N 4.371 124.755 120.400 -0.028 0.000 2.336 371 D HA 0.394 5.034 4.640 -0.000 0.000 0.249 371 D C -0.359 175.936 176.300 -0.009 0.000 1.213 371 D CA -0.099 53.892 54.000 -0.015 0.000 0.870 371 D CB 0.568 41.357 40.800 -0.018 0.000 1.076 371 D HN 0.806 nan 8.370 nan 0.000 0.483 372 C N 2.126 121.427 119.300 0.002 0.000 3.173 372 C HA 0.725 5.185 4.460 -0.000 0.000 0.310 372 C C -1.337 173.659 174.990 0.009 0.000 1.306 372 C CA -0.952 58.072 59.018 0.009 0.000 1.426 372 C CB 1.992 29.745 27.740 0.023 0.000 1.800 372 C HN 0.500 nan 8.230 nan 0.000 0.470 373 D N 1.494 121.899 120.400 0.009 0.000 2.549 373 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 373 D C -0.982 175.321 176.300 0.005 0.000 1.153 373 D CA 0.184 54.188 54.000 0.005 0.000 0.861 373 D CB 2.090 42.891 40.800 0.002 0.000 1.207 373 D HN 0.785 nan 8.370 nan 0.000 0.543 374 E N 1.515 121.718 120.200 0.004 0.000 2.167 374 E HA 0.491 4.841 4.350 -0.000 0.000 0.284 374 E C -0.174 176.422 176.600 -0.008 0.000 1.016 374 E CA -0.587 55.813 56.400 -0.000 0.000 0.817 374 E CB 1.052 30.754 29.700 0.002 0.000 1.080 374 E HN 0.523 nan 8.360 nan 0.000 0.397 375 G N 3.064 111.855 108.800 -0.015 0.000 2.521 375 G HA2 0.076 4.036 3.960 -0.000 0.000 0.323 375 G HA3 0.076 4.036 3.960 -0.000 0.000 0.323 375 G C 0.388 175.273 174.900 -0.025 0.000 1.211 375 G CA -0.354 44.735 45.100 -0.018 0.000 0.979 375 G HN 0.685 nan 8.290 nan 0.000 0.490 376 E N -0.944 119.241 120.200 -0.024 0.000 2.118 376 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 376 E C 1.567 178.144 176.600 -0.038 0.000 0.992 376 E CA 1.702 58.085 56.400 -0.028 0.000 0.804 376 E CB 0.019 29.705 29.700 -0.024 0.000 0.741 376 E HN 0.520 nan 8.360 nan 0.000 0.458 377 T N -2.053 112.475 114.554 -0.044 0.000 3.516 377 T HA 0.258 4.608 4.350 -0.000 0.000 0.300 377 T C -0.233 174.421 174.700 -0.077 0.000 0.995 377 T CA -0.297 61.766 62.100 -0.062 0.000 0.982 377 T CB 0.330 69.165 68.868 -0.055 0.000 1.199 377 T HN 0.081 nan 8.240 nan 0.000 0.481 378 S N 0.656 116.317 115.700 -0.065 0.000 2.615 378 S HA 0.848 5.318 4.470 -0.000 0.000 0.269 378 S C -1.983 172.591 174.600 -0.043 0.000 1.161 378 S CA -0.987 57.176 58.200 -0.063 0.000 0.817 378 S CB 2.162 65.340 63.200 -0.038 0.000 1.131 378 S HN 0.477 nan 8.310 nan 0.000 0.467 379 L N 0.977 122.183 121.223 -0.028 0.000 2.493 379 L HA 0.813 5.153 4.340 -0.000 0.000 0.265 379 L C -1.767 175.111 176.870 0.014 0.000 0.954 379 L CA -0.388 54.451 54.840 -0.001 0.000 0.844 379 L CB 2.048 44.115 42.059 0.013 0.000 1.302 379 L HN 0.766 nan 8.230 nan 0.000 0.405 380 V N 5.093 125.015 119.914 0.014 0.000 2.495 380 V HA 0.732 4.852 4.120 -0.000 0.000 0.298 380 V C -0.701 175.403 176.094 0.016 0.000 1.031 380 V CA -0.634 61.675 62.300 0.015 0.000 0.871 380 V CB 1.996 33.824 31.823 0.009 0.000 0.988 380 V HN 0.533 nan 8.190 nan 0.000 0.432 381 V N 5.463 125.387 119.914 0.017 0.000 2.588 381 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 381 V C -0.248 175.843 176.094 -0.004 0.000 1.042 381 V CA -0.820 61.484 62.300 0.007 0.000 0.877 381 V CB 2.209 34.039 31.823 0.012 0.000 0.996 381 V HN 0.807 nan 8.190 nan 0.000 0.425 382 R N 2.147 122.637 120.500 -0.017 0.000 2.387 382 R HA 0.668 5.008 4.340 -0.000 0.000 0.314 382 R C 0.264 176.536 176.300 -0.047 0.000 0.958 382 R CA -0.378 55.710 56.100 -0.021 0.000 0.846 382 R CB 2.116 32.407 30.300 -0.016 0.000 1.147 382 R HN 0.916 nan 8.270 nan 0.000 0.447 383 G N 1.002 109.774 108.800 -0.046 0.000 2.522 383 G HA2 0.387 4.346 3.960 -0.000 0.000 0.304 383 G HA3 0.387 4.346 3.960 -0.000 0.000 0.304 383 G C -0.828 174.029 174.900 -0.072 0.000 1.210 383 G CA -0.455 44.594 45.100 -0.086 0.000 0.960 383 G HN 0.368 nan 8.290 nan 0.000 0.497 384 R N 1.036 121.469 120.500 -0.113 0.000 2.513 384 R HA 0.417 4.757 4.340 -0.000 0.000 0.283 384 R C -2.000 174.324 176.300 0.039 0.000 1.535 384 R CA -1.628 54.445 56.100 -0.046 0.000 1.315 384 R CB 1.416 31.674 30.300 -0.070 0.000 1.163 384 R HN 0.211 nan 8.270 nan 0.000 0.573 385 P HA -0.220 nan 4.420 nan 0.000 0.218 385 P C 0.196 177.614 177.300 0.197 0.000 1.154 385 P CA 1.620 64.816 63.100 0.160 0.000 0.872 385 P CB 0.218 31.974 31.700 0.094 0.000 0.790 386 D N -2.284 118.197 120.400 0.134 0.000 2.363 386 D HA 0.055 4.695 4.640 -0.000 0.000 0.226 386 D C 1.451 177.853 176.300 0.170 0.000 1.020 386 D CA 0.824 54.898 54.000 0.122 0.000 0.892 386 D CB -1.178 39.666 40.800 0.073 0.000 0.900 386 D HN 0.247 nan 8.370 nan 0.000 0.531 387 G N 0.158 109.112 108.800 0.257 0.000 2.189 387 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.267 387 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.267 387 G C 0.196 175.194 174.900 0.163 0.000 0.975 387 G CA 0.355 45.653 45.100 0.329 0.000 0.644 387 G HN 0.487 nan 8.290 nan 0.000 0.537 388 K N 0.055 120.514 120.400 0.099 0.000 2.401 388 K HA 0.408 4.728 4.320 -0.000 0.000 0.278 388 K C 1.525 178.151 176.600 0.043 0.000 1.018 388 K CA 0.795 57.120 56.287 0.064 0.000 0.981 388 K CB 0.499 33.026 32.500 0.046 0.000 0.933 388 K HN 1.210 nan 8.250 nan 0.000 0.477 389 G N 2.001 110.825 108.800 0.041 0.000 2.179 389 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 389 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 389 G C 0.133 175.049 174.900 0.026 0.000 0.977 389 G CA -0.052 45.065 45.100 0.027 0.000 0.641 389 G HN 0.432 nan 8.290 nan 0.000 0.533 390 L N 0.062 121.310 121.223 0.042 0.000 2.416 390 L HA 0.669 5.009 4.340 -0.000 0.000 0.262 390 L C 1.348 178.269 176.870 0.085 0.000 1.093 390 L CA 0.106 54.972 54.840 0.043 0.000 0.801 390 L CB 1.087 43.153 42.059 0.012 0.000 1.191 390 L HN 1.177 nan 8.230 nan 0.000 0.459 391 G N 1.386 110.244 108.800 0.096 0.000 2.627 391 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 391 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 391 G C -0.963 173.975 174.900 0.064 0.000 1.331 391 G CA -0.570 44.592 45.100 0.104 0.000 0.891 391 G HN 0.725 nan 8.290 nan 0.000 0.539 392 N N 0.311 119.042 118.700 0.052 0.000 2.577 392 N HA 0.510 5.250 4.740 -0.000 0.000 0.275 392 N C 1.009 176.534 175.510 0.026 0.000 1.091 392 N CA 0.509 53.577 53.050 0.030 0.000 0.843 392 N CB 1.431 39.927 38.487 0.015 0.000 1.295 392 N HN 1.246 nan 8.380 nan 0.000 0.530 393 A N 2.080 124.914 122.820 0.023 0.000 2.070 393 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 393 A C 1.900 179.492 177.584 0.013 0.000 1.159 393 A CA 1.898 53.947 52.037 0.020 0.000 0.656 393 A CB -0.282 18.729 19.000 0.018 0.000 0.800 393 A HN 0.702 nan 8.150 nan 0.000 0.453 394 S N -1.770 113.936 115.700 0.009 0.000 2.522 394 S HA 0.329 4.799 4.470 -0.000 0.000 0.227 394 S C 1.449 176.050 174.600 0.002 0.000 0.986 394 S CA 1.143 59.346 58.200 0.004 0.000 0.929 394 S CB -0.412 62.788 63.200 0.001 0.000 0.769 394 S HN 1.922 nan 8.310 nan 0.000 0.529 395 G N 0.763 109.566 108.800 0.005 0.000 2.136 395 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.242 395 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.242 395 G C 0.245 175.141 174.900 -0.006 0.000 0.989 395 G CA -0.029 45.073 45.100 0.003 0.000 0.682 395 G HN 1.308 nan 8.290 nan 0.000 0.522 396 A N -0.197 122.616 122.820 -0.011 0.000 2.498 396 A HA 0.736 5.056 4.320 -0.000 0.000 0.239 396 A C 0.910 178.473 177.584 -0.035 0.000 1.068 396 A CA 1.115 53.138 52.037 -0.024 0.000 0.766 396 A CB 0.499 19.483 19.000 -0.027 0.000 1.003 396 A HN 2.117 nan 8.150 nan 0.000 0.497 397 A N 2.273 125.064 122.820 -0.048 0.000 2.305 397 A HA 0.570 4.890 4.320 -0.000 0.000 0.322 397 A C 0.041 177.560 177.584 -0.109 0.000 1.187 397 A CA -0.506 51.492 52.037 -0.065 0.000 0.825 397 A CB 0.509 19.476 19.000 -0.055 0.000 1.164 397 A HN 1.038 nan 8.150 nan 0.000 0.498 398 V N 1.984 121.808 119.914 -0.150 0.000 2.585 398 V HA 0.291 4.411 4.120 -0.000 0.000 0.296 398 V C 1.093 177.068 176.094 -0.198 0.000 1.035 398 V CA 0.378 62.526 62.300 -0.254 0.000 1.084 398 V CB 0.758 32.317 31.823 -0.439 0.000 0.953 398 V HN 1.042 nan 8.190 nan 0.000 0.483 399 A N 3.877 126.575 122.820 -0.203 0.000 2.396 399 A HA 0.418 4.738 4.320 -0.000 0.000 0.279 399 A C 1.283 178.744 177.584 -0.204 0.000 1.165 399 A CA 0.255 52.132 52.037 -0.268 0.000 0.824 399 A CB 0.170 18.950 19.000 -0.367 0.000 1.100 399 A HN 1.068 nan 8.150 nan 0.000 0.516 400 T N -0.723 113.730 114.554 -0.169 0.000 3.067 400 T HA 0.022 4.372 4.350 -0.000 0.000 0.257 400 T C 0.681 175.423 174.700 0.071 0.000 1.105 400 T CA 0.794 62.882 62.100 -0.021 0.000 1.104 400 T CB -0.411 68.451 68.868 -0.011 0.000 0.925 400 T HN 0.815 nan 8.240 nan 0.000 0.498 401 H N 1.786 120.861 119.070 0.009 0.000 2.626 401 H HA -0.132 4.424 4.556 -0.000 0.000 0.317 401 H C 0.610 175.960 175.328 0.037 0.000 1.140 401 H CA 0.934 56.993 56.048 0.020 0.000 1.134 401 H CB -2.193 27.581 29.762 0.021 0.000 1.486 401 H HN 0.536 nan 8.280 nan 0.000 0.417 402 L N -1.194 120.086 121.223 0.095 0.000 3.843 402 L HA -0.253 4.087 4.340 -0.000 0.000 0.411 402 L C 0.370 177.316 176.870 0.127 0.000 1.205 402 L CA 1.289 56.182 54.840 0.089 0.000 0.945 402 L CB -0.726 41.383 42.059 0.084 0.000 1.929 402 L HN 0.353 nan 8.230 nan 0.000 0.934 403 D N -0.266 120.219 120.400 0.141 0.000 2.453 403 D HA 0.172 4.812 4.640 -0.000 0.000 0.238 403 D C 1.544 177.935 176.300 0.151 0.000 1.088 403 D CA -0.298 53.813 54.000 0.186 0.000 0.854 403 D CB 0.737 41.627 40.800 0.150 0.000 1.076 403 D HN 0.290 nan 8.370 nan 0.000 0.533 404 H N 4.429 123.510 119.070 0.018 0.000 2.357 404 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 404 H C 0.941 176.216 175.328 -0.087 0.000 1.108 404 H CA 1.170 57.191 56.048 -0.045 0.000 1.273 404 H CB -0.079 29.672 29.762 -0.017 0.000 1.367 404 H HN 0.385 nan 8.280 nan 0.000 0.498 405 R N -0.083 120.104 120.500 -0.521 0.000 2.193 405 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 405 R C 2.298 178.562 176.300 -0.060 0.000 1.055 405 R CA 0.601 56.543 56.100 -0.263 0.000 0.995 405 R CB 0.225 30.428 30.300 -0.160 0.000 0.893 405 R HN 0.283 nan 8.270 nan 0.000 0.459 406 I N 0.759 121.337 120.570 0.014 0.000 2.286 406 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 406 I C 2.507 178.731 176.117 0.178 0.000 1.104 406 I CA 1.046 62.459 61.300 0.188 0.000 1.397 406 I CB -1.325 36.795 38.000 0.200 0.000 1.072 406 I HN 0.067 nan 8.210 nan 0.000 0.417 407 A N 0.786 123.615 122.820 0.014 0.000 1.858 407 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 407 A C 2.390 179.859 177.584 -0.192 0.000 1.190 407 A CA 1.770 53.777 52.037 -0.050 0.000 0.617 407 A CB -0.582 18.355 19.000 -0.106 0.000 0.827 407 A HN 0.342 nan 8.150 nan 0.000 0.443 408 M N -0.411 118.887 119.600 -0.505 0.000 2.175 408 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 408 M C 2.379 178.404 176.300 -0.458 0.000 1.063 408 M CA 1.566 56.307 55.300 -0.931 0.000 1.119 408 M CB -0.316 31.090 32.600 -1.988 0.000 1.377 408 M HN 0.412 nan 8.290 nan 0.000 0.415 409 S N 0.257 115.839 115.700 -0.197 0.000 2.368 409 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 409 S C 1.572 176.057 174.600 -0.192 0.000 1.030 409 S CA 1.273 59.456 58.200 -0.029 0.000 0.999 409 S CB -0.382 62.769 63.200 -0.082 0.000 0.844 409 S HN 0.347 nan 8.310 nan 0.000 0.459 410 F N 1.311 121.289 119.950 0.047 0.000 2.367 410 F HA 0.153 4.679 4.527 -0.000 0.000 0.298 410 F C 1.868 177.709 175.800 0.069 0.000 1.094 410 F CA 0.453 58.492 58.000 0.066 0.000 1.409 410 F CB -0.371 38.654 39.000 0.042 0.000 1.064 410 F HN 0.108 nan 8.300 nan 0.000 0.528 411 L N -0.990 120.331 121.223 0.164 0.000 2.093 411 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 411 L C 2.303 179.262 176.870 0.148 0.000 1.085 411 L CA 0.509 55.444 54.840 0.157 0.000 0.755 411 L CB -0.640 41.532 42.059 0.189 0.000 0.904 411 L HN -0.037 nan 8.230 nan 0.000 0.435 412 V N -0.201 119.802 119.914 0.149 0.000 2.343 412 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 412 V C 2.449 178.588 176.094 0.075 0.000 1.051 412 V CA 1.968 64.345 62.300 0.127 0.000 1.036 412 V CB -0.356 31.577 31.823 0.183 0.000 0.654 412 V HN 0.472 nan 8.190 nan 0.000 0.451 413 M N 0.594 120.254 119.600 0.099 0.000 2.108 413 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 413 M C 1.947 178.352 176.300 0.175 0.000 1.066 413 M CA 2.319 57.728 55.300 0.182 0.000 1.107 413 M CB -0.567 32.171 32.600 0.230 0.000 1.356 413 M HN 0.397 nan 8.290 nan 0.000 0.406 414 G N 0.209 109.100 108.800 0.151 0.000 2.509 414 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 414 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 414 G C 1.280 176.215 174.900 0.058 0.000 1.124 414 G CA 0.371 45.543 45.100 0.119 0.000 0.776 414 G HN 0.494 nan 8.290 nan 0.000 0.547 415 L N 0.104 121.339 121.223 0.019 0.000 2.478 415 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 415 L C 2.033 178.859 176.870 -0.074 0.000 1.140 415 L CA 0.061 54.886 54.840 -0.026 0.000 0.842 415 L CB 0.161 42.196 42.059 -0.040 0.000 0.953 415 L HN 0.135 nan 8.230 nan 0.000 0.452 416 V N -2.893 116.951 119.914 -0.117 0.000 3.219 416 V HA 0.073 4.193 4.120 -0.000 0.000 0.240 416 V C 1.250 177.321 176.094 -0.040 0.000 1.222 416 V CA 0.342 62.492 62.300 -0.249 0.000 1.181 416 V CB 0.413 31.737 31.823 -0.832 0.000 0.941 416 V HN 0.388 nan 8.190 nan 0.000 0.471 417 S N 0.703 116.500 115.700 0.162 0.000 2.579 417 S HA 0.065 4.535 4.470 -0.000 0.000 0.275 417 S C 1.077 175.768 174.600 0.153 0.000 1.345 417 S CA 0.361 58.735 58.200 0.290 0.000 1.031 417 S CB 1.253 64.632 63.200 0.298 0.000 0.892 417 S HN 0.537 nan 8.310 nan 0.000 0.529 418 E N 1.811 122.095 120.200 0.140 0.000 2.077 418 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 418 E C -0.071 176.571 176.600 0.069 0.000 0.989 418 E CA 0.919 57.371 56.400 0.087 0.000 0.800 418 E CB 0.033 29.778 29.700 0.074 0.000 0.746 418 E HN 0.689 nan 8.360 nan 0.000 0.452 419 N N 1.082 119.828 118.700 0.076 0.000 2.417 419 N HA 0.283 5.023 4.740 -0.000 0.000 0.300 419 N C -2.630 172.924 175.510 0.072 0.000 1.102 419 N CA -1.679 51.408 53.050 0.061 0.000 0.886 419 N CB 1.415 39.933 38.487 0.052 0.000 1.203 419 N HN -0.046 nan 8.380 nan 0.000 0.496 420 P HA 0.051 nan 4.420 nan 0.000 0.268 420 P C -0.495 176.849 177.300 0.074 0.000 1.208 420 P CA -0.069 63.068 63.100 0.060 0.000 0.777 420 P CB 0.706 32.430 31.700 0.041 0.000 0.875 421 V N 2.525 122.493 119.914 0.090 0.000 2.495 421 V HA 0.406 4.526 4.120 -0.000 0.000 0.298 421 V C 0.120 176.263 176.094 0.082 0.000 1.031 421 V CA -0.171 62.194 62.300 0.108 0.000 0.871 421 V CB 1.937 33.871 31.823 0.186 0.000 0.988 421 V HN 0.492 nan 8.190 nan 0.000 0.432 422 T N 4.064 118.648 114.554 0.051 0.000 2.829 422 T HA 0.640 4.990 4.350 -0.000 0.000 0.280 422 T C -0.427 174.278 174.700 0.008 0.000 0.999 422 T CA -0.448 61.669 62.100 0.028 0.000 0.983 422 T CB 1.730 70.602 68.868 0.007 0.000 0.968 422 T HN 0.696 nan 8.240 nan 0.000 0.446 423 V N 0.529 120.449 119.914 0.011 0.000 2.667 423 V HA 0.534 4.654 4.120 -0.000 0.000 0.308 423 V C 0.832 176.908 176.094 -0.031 0.000 1.048 423 V CA -0.947 61.344 62.300 -0.014 0.000 0.928 423 V CB 1.700 33.533 31.823 0.017 0.000 1.004 423 V HN 0.837 nan 8.190 nan 0.000 0.444 424 D N 0.794 121.159 120.400 -0.057 0.000 2.348 424 D HA 0.027 4.667 4.640 -0.000 0.000 0.216 424 D C 0.156 176.431 176.300 -0.042 0.000 0.970 424 D CA 1.023 54.989 54.000 -0.056 0.000 0.889 424 D CB 0.102 40.850 40.800 -0.085 0.000 0.912 424 D HN 0.786 nan 8.370 nan 0.000 0.524 425 D N -1.857 118.522 120.400 -0.034 0.000 2.878 425 D HA 0.494 5.134 4.640 -0.000 0.000 0.211 425 D C -0.692 175.596 176.300 -0.021 0.000 1.271 425 D CA -0.416 53.570 54.000 -0.024 0.000 0.845 425 D CB 1.498 42.283 40.800 -0.026 0.000 1.679 425 D HN -0.102 nan 8.370 nan 0.000 0.536 426 A N 2.133 124.944 122.820 -0.016 0.000 2.390 426 A HA 0.160 4.480 4.320 -0.000 0.000 0.232 426 A C 1.721 179.296 177.584 -0.016 0.000 1.233 426 A CA 0.910 52.933 52.037 -0.023 0.000 0.907 426 A CB -0.307 18.689 19.000 -0.006 0.000 0.967 426 A HN 0.629 nan 8.150 nan 0.000 0.512 427 T N -2.203 112.348 114.554 -0.005 0.000 2.803 427 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 427 T C 1.611 176.315 174.700 0.006 0.000 1.052 427 T CA 1.527 63.629 62.100 0.003 0.000 1.136 427 T CB -0.406 68.465 68.868 0.005 0.000 0.864 427 T HN 0.188 nan 8.240 nan 0.000 0.467 428 M N 0.418 120.024 119.600 0.010 0.000 2.595 428 M HA 0.374 4.854 4.480 -0.000 0.000 0.248 428 M C 2.056 178.373 176.300 0.029 0.000 1.119 428 M CA -0.007 55.307 55.300 0.024 0.000 1.079 428 M CB -1.023 31.608 32.600 0.052 0.000 1.472 428 M HN 0.349 nan 8.290 nan 0.000 0.501 429 I N 0.622 121.192 120.570 -0.001 0.000 2.335 429 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 429 I C 2.292 178.428 176.117 0.031 0.000 1.129 429 I CA 1.175 62.459 61.300 -0.027 0.000 1.402 429 I CB -0.502 37.400 38.000 -0.162 0.000 1.069 429 I HN 0.225 nan 8.210 nan 0.000 0.424 430 A N 0.685 123.521 122.820 0.027 0.000 2.216 430 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 430 A C 2.304 179.899 177.584 0.019 0.000 1.160 430 A CA 1.720 53.785 52.037 0.046 0.000 0.725 430 A CB -0.994 18.028 19.000 0.038 0.000 0.784 430 A HN 0.570 nan 8.150 nan 0.000 0.472 431 T N -2.549 111.985 114.554 -0.034 0.000 2.867 431 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 431 T C 1.663 176.295 174.700 -0.113 0.000 1.057 431 T CA 1.862 63.903 62.100 -0.098 0.000 1.136 431 T CB -0.322 68.424 68.868 -0.204 0.000 0.874 431 T HN 0.791 nan 8.240 nan 0.000 0.466 432 S N -0.956 114.711 115.700 -0.056 0.000 2.679 432 S HA 0.379 4.849 4.470 -0.000 0.000 0.258 432 S C 0.123 174.840 174.600 0.195 0.000 1.068 432 S CA -0.878 57.343 58.200 0.035 0.000 1.115 432 S CB -0.084 63.187 63.200 0.118 0.000 1.078 432 S HN 0.543 nan 8.310 nan 0.000 0.603 433 F N 2.594 122.576 119.950 0.054 0.000 2.883 433 F HA 0.358 4.885 4.527 -0.000 0.000 0.383 433 F C -2.526 173.337 175.800 0.104 0.000 1.342 433 F CA -1.967 56.095 58.000 0.104 0.000 1.150 433 F CB 1.550 40.647 39.000 0.162 0.000 2.189 433 F HN -0.022 nan 8.300 nan 0.000 0.593 434 P HA -0.165 nan 4.420 nan 0.000 0.220 434 P C 0.643 178.049 177.300 0.176 0.000 1.148 434 P CA 1.369 64.578 63.100 0.181 0.000 0.803 434 P CB 0.265 32.042 31.700 0.128 0.000 0.782 435 E N -1.495 118.885 120.200 0.299 0.000 2.511 435 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 435 E C 1.457 178.061 176.600 0.008 0.000 1.066 435 E CA 0.041 56.574 56.400 0.220 0.000 0.871 435 E CB -1.046 28.864 29.700 0.349 0.000 0.863 435 E HN 0.196 nan 8.360 nan 0.000 0.520 436 F N 1.278 120.903 119.950 -0.542 0.000 2.043 436 F HA -0.342 4.185 4.527 -0.000 0.000 0.297 436 F C 1.865 177.401 175.800 -0.440 0.000 1.118 436 F CA 1.686 59.080 58.000 -1.010 0.000 1.202 436 F CB -0.074 38.298 39.000 -1.046 0.000 0.965 436 F HN 0.025 nan 8.300 nan 0.000 0.482 437 M N 0.193 119.678 119.600 -0.191 0.000 2.080 437 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 437 M C 1.909 178.073 176.300 -0.227 0.000 1.068 437 M CA 1.729 56.897 55.300 -0.221 0.000 1.109 437 M CB -1.454 31.122 32.600 -0.041 0.000 1.342 437 M HN 0.179 nan 8.290 nan 0.000 0.405 438 D N 0.371 120.691 120.400 -0.133 0.000 2.097 438 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 438 D C 2.174 178.409 176.300 -0.108 0.000 0.989 438 D CA 0.877 54.824 54.000 -0.087 0.000 0.827 438 D CB -0.406 40.378 40.800 -0.026 0.000 0.966 438 D HN 0.306 nan 8.370 nan 0.000 0.456 439 L N 0.166 121.316 121.223 -0.123 0.000 2.017 439 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 439 L C 2.249 179.022 176.870 -0.161 0.000 1.073 439 L CA 1.189 55.980 54.840 -0.081 0.000 0.745 439 L CB -0.098 41.981 42.059 0.033 0.000 0.894 439 L HN -0.061 nan 8.230 nan 0.000 0.432 440 M N -0.484 118.906 119.600 -0.350 0.000 2.132 440 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 440 M C 2.514 178.682 176.300 -0.219 0.000 1.065 440 M CA 1.744 56.832 55.300 -0.352 0.000 1.122 440 M CB -1.576 30.630 32.600 -0.656 0.000 1.365 440 M HN 0.457 nan 8.290 nan 0.000 0.411 441 A N 0.398 123.096 122.820 -0.203 0.000 1.933 441 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 441 A C 2.424 179.957 177.584 -0.086 0.000 1.175 441 A CA 1.905 53.867 52.037 -0.125 0.000 0.628 441 A CB -1.433 17.504 19.000 -0.104 0.000 0.814 441 A HN 0.527 nan 8.150 nan 0.000 0.444 442 G N -0.466 108.286 108.800 -0.079 0.000 2.448 442 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 442 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 442 G C 1.349 176.223 174.900 -0.043 0.000 1.127 442 G CA 0.914 45.985 45.100 -0.049 0.000 0.766 442 G HN 0.462 nan 8.290 nan 0.000 0.552 443 L N -0.210 120.980 121.223 -0.056 0.000 2.558 443 L HA 0.284 4.624 4.340 -0.000 0.000 0.225 443 L C 2.003 178.846 176.870 -0.046 0.000 1.128 443 L CA 0.557 55.370 54.840 -0.044 0.000 0.868 443 L CB 0.224 42.256 42.059 -0.046 0.000 1.006 443 L HN 0.378 nan 8.230 nan 0.000 0.454 444 G N -0.405 108.363 108.800 -0.054 0.000 2.192 444 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.193 444 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.193 444 G C 0.353 175.219 174.900 -0.056 0.000 0.999 444 G CA -0.196 44.876 45.100 -0.047 0.000 0.659 444 G HN 0.400 nan 8.290 nan 0.000 0.503 445 A N 0.452 123.225 122.820 -0.077 0.000 2.440 445 A HA 0.595 4.915 4.320 -0.000 0.000 0.251 445 A C 0.537 178.078 177.584 -0.071 0.000 1.089 445 A CA 0.376 52.364 52.037 -0.082 0.000 0.779 445 A CB 0.271 19.195 19.000 -0.127 0.000 1.022 445 A HN 0.344 nan 8.150 nan 0.000 0.492 446 K N 2.504 122.874 120.400 -0.049 0.000 2.257 446 K HA 0.477 4.797 4.320 -0.000 0.000 0.270 446 K C -1.229 175.355 176.600 -0.028 0.000 1.098 446 K CA 0.399 56.666 56.287 -0.035 0.000 0.943 446 K CB 0.423 32.911 32.500 -0.021 0.000 1.316 446 K HN 0.607 nan 8.250 nan 0.000 0.447 447 I N 3.105 123.653 120.570 -0.036 0.000 2.499 447 I HA 0.145 4.315 4.170 -0.000 0.000 0.288 447 I C -0.389 175.720 176.117 -0.013 0.000 1.048 447 I CA -0.807 60.483 61.300 -0.018 0.000 1.062 447 I CB 2.028 40.011 38.000 -0.029 0.000 1.238 447 I HN 0.515 nan 8.210 nan 0.000 0.426 448 E N 6.404 126.605 120.200 0.002 0.000 2.210 448 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 448 E C -1.229 175.375 176.600 0.008 0.000 0.883 448 E CA -1.013 55.388 56.400 0.001 0.000 0.761 448 E CB 2.863 32.563 29.700 0.000 0.000 1.156 448 E HN 0.289 nan 8.360 nan 0.000 0.412 449 L N 2.644 123.871 121.223 0.006 0.000 2.313 449 L HA 0.249 4.589 4.340 -0.000 0.000 0.282 449 L C -0.585 176.288 176.870 0.005 0.000 1.092 449 L CA 0.413 55.259 54.840 0.009 0.000 0.831 449 L CB 0.965 43.029 42.059 0.008 0.000 1.159 449 L HN 0.628 nan 8.230 nan 0.000 0.442 450 S N 0.000 115.703 115.700 0.004 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 63.201 63.200 0.002 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517