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 1ex0_1_A DATA FIRST_RESID 7 DATA SEQUENCE AFGGRRAVPP NNSNAAEDDL PTVEXXXXXX XXXXXQEFLN VTSVHLFKER DATA SEQUENCE WDTNKVDHHT DKYENNKLIV RRGQSFYVQI DFSRPYDPRR DLFRVEYVIG DATA SEQUENCE RYPQENKGTY IPVPIVSELQ SGKWGAKIVM REDRSVRLSI QSSPKCIVGK DATA SEQUENCE FRMYVAVWTP YGVLRTSRNP ETDTYILFNP WCEDDAVYLD NEKEREEYVL DATA SEQUENCE NDIGVIFYGE VNDIKTRSWS YGQFEDGILD TCLYVMDRAQ MDLSGRGNPI DATA SEQUENCE KVSRVGSAMV NAKDDEGVLV GSFDNIYAYG VPPSAWTGSV DILLEYRSSE DATA SEQUENCE NPVRYGQCWV FAGVFNTFLR CLGIPARIVT NYFSAHDNDA NLQMDIFLEE DATA SEQUENCE DGNVNSKLTK DSVWNYHCWN EAWMTRPDLP VGFGGWQAVD STPQENSDGM DATA SEQUENCE YRCGPASVQA IKHGHVCFQF DAPFVFAEVN SDLIYITAKK DGTHVVENVD DATA SEQUENCE ATHIGKLIVT KQIGGDGMMD ITDTYKFQEG QEEERLALET ALMYGAKKPL DATA SEQUENCE NTSRXXXXXS NVDMDFEVEN AVLGKDFKLS ITFRNNSHNR YTITAYLSAN DATA SEQUENCE ITFYTGVPKA EFKKETFDVT LEPLSFKKEA VLIQAGEYMG QLLEQASLHF DATA SEQUENCE FVTARINETR DVLAKQKSTV LTIPEIIIKV RGTQVVGSDM TVTVQFTNPL DATA SEQUENCE KETLRNVWVH LDGPGVTRPM KKMFREIRPN STVQWEEVCR PWVSGHRKLI DATA SEQUENCE ASMSSDSLRH VYGELDVQIQ R 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.667 177.584 0.138 0.000 1.274 7 A CA 0.000 52.087 52.037 0.083 0.000 0.836 7 A CB 0.000 19.025 19.000 0.042 0.000 0.831 8 F N 2.205 122.150 119.950 -0.009 0.000 2.421 8 F HA 0.626 5.156 4.527 0.006 0.000 0.337 8 F C 1.046 176.836 175.800 -0.016 0.000 1.105 8 F CA -0.060 57.934 58.000 -0.012 0.000 1.049 8 F CB 1.912 40.905 39.000 -0.011 0.000 1.139 8 F HN 0.789 nan 8.300 nan 0.000 0.479 9 G N 3.481 111.773 108.800 -0.847 0.000 3.003 9 G HA2 0.281 4.245 3.960 0.006 0.000 0.266 9 G HA3 0.281 4.245 3.960 0.006 0.000 0.266 9 G C 0.914 175.356 174.900 -0.763 0.000 0.755 9 G CA 0.135 44.835 45.100 -0.667 0.000 2.061 9 G HN 1.054 nan 8.290 nan 0.000 0.599 10 G N 0.835 109.417 108.800 -0.364 0.000 2.712 10 G HA2 -0.075 3.889 3.960 0.006 0.000 0.212 10 G HA3 -0.075 3.889 3.960 0.006 0.000 0.212 10 G C 1.699 176.591 174.900 -0.013 0.000 1.142 10 G CA 0.078 45.174 45.100 -0.006 0.000 0.789 10 G HN 0.527 nan 8.290 nan 0.000 0.535 11 R N 1.086 121.545 120.500 -0.069 0.000 2.119 11 R HA 0.103 4.446 4.340 0.006 0.000 0.222 11 R C 1.001 177.267 176.300 -0.057 0.000 1.088 11 R CA 0.635 56.709 56.100 -0.045 0.000 0.984 11 R CB -0.057 30.212 30.300 -0.052 0.000 0.884 11 R HN 0.479 nan 8.270 nan 0.000 0.447 12 R N -3.540 116.898 120.500 -0.103 0.000 2.687 12 R HA 0.514 4.857 4.340 0.006 0.000 0.265 12 R C -0.164 176.048 176.300 -0.147 0.000 1.048 12 R CA -0.151 55.890 56.100 -0.098 0.000 0.884 12 R CB 0.630 30.876 30.300 -0.091 0.000 1.258 12 R HN -0.097 nan 8.270 nan 0.000 0.469 13 A N 1.433 124.183 122.820 -0.116 0.000 1.929 13 A HA 0.094 4.417 4.320 0.006 0.000 0.216 13 A C 0.826 178.309 177.584 -0.167 0.000 1.176 13 A CA 1.467 53.425 52.037 -0.132 0.000 0.628 13 A CB 0.055 19.016 19.000 -0.065 0.000 0.816 13 A HN 0.520 nan 8.150 nan 0.000 0.444 14 V N -0.156 119.651 119.914 -0.179 0.000 2.604 14 V HA 0.611 4.734 4.120 0.006 0.000 0.305 14 V C -3.103 172.763 176.094 -0.380 0.000 1.043 14 V CA -2.606 59.522 62.300 -0.287 0.000 0.888 14 V CB 1.819 33.517 31.823 -0.210 0.000 0.995 14 V HN 0.172 nan 8.190 nan 0.000 0.429 15 P HA 0.309 nan 4.420 nan 0.000 0.269 15 P C -2.789 174.271 177.300 -0.399 0.000 1.215 15 P CA -1.066 61.730 63.100 -0.506 0.000 0.780 15 P CB -0.444 30.920 31.700 -0.560 0.000 0.898 16 P HA -0.004 nan 4.420 nan 0.000 0.265 16 P C -0.191 177.153 177.300 0.072 0.000 1.193 16 P CA 0.372 63.447 63.100 -0.042 0.000 0.765 16 P CB 0.047 31.737 31.700 -0.016 0.000 0.823 17 N N 3.313 122.082 118.700 0.115 0.000 2.868 17 N HA 0.049 4.793 4.740 0.006 0.000 0.252 17 N C -0.109 175.461 175.510 0.101 0.000 1.130 17 N CA -0.284 52.882 53.050 0.194 0.000 1.026 17 N CB -0.810 37.776 38.487 0.166 0.000 1.335 17 N HN 0.254 nan 8.380 nan 0.000 0.516 18 N N 0.074 118.827 118.700 0.088 0.000 2.365 18 N HA 0.107 4.851 4.740 0.006 0.000 0.257 18 N C -1.001 174.528 175.510 0.031 0.000 1.287 18 N CA -0.490 52.589 53.050 0.048 0.000 0.882 18 N CB 0.301 38.810 38.487 0.038 0.000 1.250 18 N HN 0.102 nan 8.380 nan 0.000 0.507 19 S N -0.539 115.175 115.700 0.025 0.000 2.619 19 S HA 0.343 4.816 4.470 0.006 0.000 0.280 19 S C -0.023 174.566 174.600 -0.018 0.000 1.150 19 S CA -0.760 57.443 58.200 0.006 0.000 0.978 19 S CB 0.966 64.170 63.200 0.007 0.000 1.041 19 S HN 0.280 nan 8.310 nan 0.000 0.485 20 N N 3.446 122.133 118.700 -0.022 0.000 2.300 20 N HA -0.002 4.742 4.740 0.006 0.000 0.179 20 N C 1.769 177.251 175.510 -0.046 0.000 1.016 20 N CA 0.981 53.993 53.050 -0.062 0.000 0.876 20 N CB -0.144 38.306 38.487 -0.062 0.000 0.979 20 N HN 0.702 nan 8.380 nan 0.000 0.432 21 A N 0.756 123.573 122.820 -0.004 0.000 1.969 21 A HA 0.231 4.554 4.320 0.006 0.000 0.218 21 A C 1.094 178.667 177.584 -0.019 0.000 1.169 21 A CA 0.801 52.842 52.037 0.006 0.000 0.635 21 A CB -0.539 18.494 19.000 0.055 0.000 0.810 21 A HN 0.391 nan 8.150 nan 0.000 0.445 22 A N 0.481 123.281 122.820 -0.033 0.000 2.407 22 A HA 0.498 4.822 4.320 0.006 0.000 0.248 22 A C 0.034 177.565 177.584 -0.088 0.000 1.082 22 A CA 0.013 52.013 52.037 -0.062 0.000 0.785 22 A CB -0.014 18.942 19.000 -0.074 0.000 1.020 22 A HN 0.624 nan 8.150 nan 0.000 0.489 23 E N 1.273 121.413 120.200 -0.100 0.000 2.383 23 E HA 0.464 4.818 4.350 0.006 0.000 0.275 23 E C -1.669 174.855 176.600 -0.128 0.000 0.918 23 E CA -1.035 55.307 56.400 -0.096 0.000 0.764 23 E CB 1.403 31.079 29.700 -0.039 0.000 1.252 23 E HN 0.671 nan 8.360 nan 0.000 0.449 24 D N 0.651 120.974 120.400 -0.127 0.000 2.348 24 D HA 0.191 4.834 4.640 0.006 0.000 0.249 24 D C -0.738 175.517 176.300 -0.074 0.000 1.110 24 D CA -0.485 53.437 54.000 -0.131 0.000 0.967 24 D CB 1.212 41.927 40.800 -0.142 0.000 1.139 24 D HN 0.425 nan 8.370 nan 0.000 0.466 25 D N 0.224 120.578 120.400 -0.077 0.000 2.392 25 D HA 0.297 4.940 4.640 0.006 0.000 0.228 25 D C -0.931 175.308 176.300 -0.102 0.000 1.074 25 D CA -0.565 53.400 54.000 -0.058 0.000 0.838 25 D CB 0.405 41.178 40.800 -0.045 0.000 1.067 25 D HN 0.143 nan 8.370 nan 0.000 0.511 26 L N 5.272 126.402 121.223 -0.154 0.000 2.371 26 L HA 0.414 4.758 4.340 0.006 0.000 0.272 26 L C -1.760 174.996 176.870 -0.190 0.000 1.124 26 L CA -1.479 53.210 54.840 -0.252 0.000 0.816 26 L CB 0.520 42.270 42.059 -0.516 0.000 1.129 26 L HN 0.450 nan 8.230 nan 0.000 0.448 27 P HA 0.165 nan 4.420 nan 0.000 0.275 27 P C 0.444 177.659 177.300 -0.142 0.000 1.227 27 P CA -0.370 62.647 63.100 -0.138 0.000 0.781 27 P CB 0.561 32.178 31.700 -0.137 0.000 0.906 28 T N -1.698 112.799 114.554 -0.094 0.000 3.067 28 T HA -0.016 4.338 4.350 0.006 0.000 0.261 28 T C 1.138 175.783 174.700 -0.091 0.000 1.110 28 T CA 1.160 63.215 62.100 -0.076 0.000 1.113 28 T CB -0.542 68.304 68.868 -0.036 0.000 0.917 28 T HN 0.279 nan 8.240 nan 0.000 0.499 29 V N -3.345 116.510 119.914 -0.097 0.000 3.572 29 V HA 0.350 4.474 4.120 0.006 0.000 0.260 29 V C 0.434 176.449 176.094 -0.131 0.000 1.324 29 V CA -0.499 61.739 62.300 -0.103 0.000 1.068 29 V CB -0.244 31.538 31.823 -0.068 0.000 0.837 29 V HN 0.322 nan 8.190 nan 0.000 0.450 43 E N -0.704 119.342 120.200 -0.256 0.000 2.435 43 E HA 0.065 4.419 4.350 0.006 0.000 0.195 43 E C -0.258 176.094 176.600 -0.413 0.000 1.029 43 E CA 0.234 56.418 56.400 -0.361 0.000 0.865 43 E CB 0.038 29.442 29.700 -0.494 0.000 0.833 43 E HN 0.115 nan 8.360 nan 0.000 0.510 44 F N 0.891 120.805 119.950 -0.060 0.000 2.406 44 F HA 0.224 4.754 4.527 0.006 0.000 0.327 44 F C 0.690 176.471 175.800 -0.032 0.000 1.153 44 F CA -1.278 56.697 58.000 -0.043 0.000 1.218 44 F CB 0.219 39.194 39.000 -0.043 0.000 1.215 44 F HN -0.065 nan 8.300 nan 0.000 0.570 45 L N 3.568 124.880 121.223 0.148 0.000 2.525 45 L HA 0.040 4.383 4.340 0.006 0.000 0.278 45 L C 0.171 177.121 176.870 0.134 0.000 1.218 45 L CA 0.006 54.864 54.840 0.030 0.000 0.878 45 L CB -0.601 41.322 42.059 -0.228 0.000 1.127 45 L HN 0.716 nan 8.230 nan 0.000 0.492 46 N N 2.766 121.572 118.700 0.176 0.000 2.240 46 N HA 0.395 5.138 4.740 0.006 0.000 0.302 46 N C -0.933 174.734 175.510 0.261 0.000 1.106 46 N CA -0.692 52.471 53.050 0.188 0.000 0.778 46 N CB 2.359 40.909 38.487 0.105 0.000 1.431 46 N HN 0.305 nan 8.380 nan 0.000 0.479 47 V N 0.711 120.721 119.914 0.160 0.000 2.465 47 V HA 0.379 4.502 4.120 0.006 0.000 0.279 47 V C 1.108 177.172 176.094 -0.049 0.000 1.045 47 V CA 0.333 62.624 62.300 -0.015 0.000 0.938 47 V CB 0.737 32.450 31.823 -0.184 0.000 0.986 47 V HN 0.968 nan 8.190 nan 0.000 0.467 48 T N 1.833 116.336 114.554 -0.085 0.000 3.023 48 T HA 0.318 4.672 4.350 0.006 0.000 0.249 48 T C 0.792 175.428 174.700 -0.106 0.000 1.050 48 T CA 0.626 62.691 62.100 -0.057 0.000 1.088 48 T CB 0.096 68.954 68.868 -0.017 0.000 0.946 48 T HN 1.125 nan 8.240 nan 0.000 0.480 49 S N -0.719 114.873 115.700 -0.179 0.000 2.567 49 S HA 0.611 5.085 4.470 0.006 0.000 0.270 49 S C -2.161 172.203 174.600 -0.394 0.000 1.152 49 S CA -0.619 57.420 58.200 -0.269 0.000 0.835 49 S CB 1.892 64.977 63.200 -0.191 0.000 1.115 49 S HN 0.211 nan 8.310 nan 0.000 0.459 50 V N 4.666 124.258 119.914 -0.536 0.000 2.638 50 V HA 0.587 4.710 4.120 0.006 0.000 0.306 50 V C -1.260 174.420 176.094 -0.690 0.000 1.052 50 V CA -0.620 61.398 62.300 -0.471 0.000 0.885 50 V CB 1.908 33.556 31.823 -0.292 0.000 0.999 50 V HN 0.930 nan 8.190 nan 0.000 0.424 51 H N 5.867 124.761 119.070 -0.293 0.000 2.658 51 H HA 0.449 5.008 4.556 0.005 0.000 0.337 51 H C -0.054 174.907 175.328 -0.613 0.000 1.009 51 H CA -0.510 55.255 56.048 -0.471 0.000 1.231 51 H CB 2.466 31.838 29.762 -0.651 0.000 1.508 51 H HN 0.469 nan 8.280 nan 0.000 0.517 52 L N 2.523 123.530 121.223 -0.360 0.000 2.640 52 L HA 0.103 4.447 4.340 0.006 0.000 0.230 52 L C -0.200 176.622 176.870 -0.079 0.000 1.123 52 L CA -0.113 54.625 54.840 -0.170 0.000 0.900 52 L CB -0.027 41.997 42.059 -0.058 0.000 1.146 52 L HN 0.490 nan 8.230 nan 0.000 0.484 53 F N 1.416 121.393 119.950 0.045 0.000 2.773 53 F HA -0.286 4.244 4.527 0.005 0.000 0.251 53 F C 1.247 176.976 175.800 -0.119 0.000 1.020 53 F CA 1.003 58.982 58.000 -0.035 0.000 0.924 53 F CB -1.621 37.384 39.000 0.009 0.000 0.919 53 F HN 0.324 nan 8.300 nan 0.000 0.846 54 K N -1.073 119.296 120.400 -0.051 0.000 2.387 54 K HA 0.207 4.530 4.320 0.006 0.000 0.203 54 K C 0.309 176.791 176.600 -0.196 0.000 1.030 54 K CA -0.380 55.846 56.287 -0.102 0.000 1.099 54 K CB 0.705 33.160 32.500 -0.076 0.000 0.863 54 K HN 0.126 nan 8.250 nan 0.000 0.529 55 E N 2.045 122.034 120.200 -0.352 0.000 2.436 55 E HA 0.002 4.355 4.350 0.006 0.000 0.262 55 E C 0.552 176.819 176.600 -0.555 0.000 1.063 55 E CA 0.196 56.279 56.400 -0.528 0.000 0.944 55 E CB 0.657 29.764 29.700 -0.988 0.000 0.950 55 E HN 0.238 nan 8.360 nan 0.000 0.444 56 R N 1.486 121.779 120.500 -0.346 0.000 2.189 56 R HA -0.067 4.276 4.340 0.006 0.000 0.223 56 R C 1.942 178.171 176.300 -0.120 0.000 1.092 56 R CA 1.207 57.209 56.100 -0.164 0.000 0.989 56 R CB -0.029 30.259 30.300 -0.019 0.000 0.876 56 R HN 0.680 nan 8.270 nan 0.000 0.457 57 W N 0.432 121.747 121.300 0.025 0.000 3.003 57 W HA 0.204 4.865 4.660 0.002 0.000 0.257 57 W C -0.004 176.524 176.519 0.015 0.000 1.308 57 W CA -0.659 56.694 57.345 0.014 0.000 1.529 57 W CB -0.357 29.111 29.460 0.014 0.000 1.115 57 W HN -0.156 nan 8.180 nan 0.000 0.659 58 D N 1.426 121.541 120.400 -0.475 0.000 2.398 58 D HA 0.043 4.686 4.640 0.006 0.000 0.247 58 D C 1.409 177.668 176.300 -0.068 0.000 1.227 58 D CA 0.634 54.463 54.000 -0.285 0.000 0.980 58 D CB 1.726 42.140 40.800 -0.643 0.000 1.106 58 D HN -0.291 nan 8.370 nan 0.000 0.493 59 T N 0.831 115.381 114.554 -0.008 0.000 2.635 59 T HA -0.174 4.180 4.350 0.006 0.000 0.267 59 T C 1.514 176.257 174.700 0.072 0.000 1.040 59 T CA 1.221 63.344 62.100 0.039 0.000 1.156 59 T CB -0.246 68.652 68.868 0.050 0.000 0.863 59 T HN 0.360 nan 8.240 nan 0.000 0.430 60 N N 0.992 119.749 118.700 0.096 0.000 2.013 60 N HA -0.058 4.686 4.740 0.006 0.000 0.195 60 N C 1.931 177.470 175.510 0.049 0.000 1.051 60 N CA 1.280 54.400 53.050 0.117 0.000 0.851 60 N CB -0.234 38.292 38.487 0.065 0.000 1.044 60 N HN 0.435 nan 8.380 nan 0.000 0.422 61 K N 0.433 120.809 120.400 -0.040 0.000 2.062 61 K HA 0.027 4.350 4.320 0.006 0.000 0.205 61 K C 2.082 178.643 176.600 -0.066 0.000 1.051 61 K CA 0.499 56.757 56.287 -0.049 0.000 0.941 61 K CB -0.180 32.279 32.500 -0.069 0.000 0.719 61 K HN -0.053 nan 8.250 nan 0.000 0.440 62 V N 2.352 122.220 119.914 -0.077 0.000 2.282 62 V HA -0.273 3.850 4.120 0.006 0.000 0.249 62 V C 1.402 177.341 176.094 -0.259 0.000 1.057 62 V CA 2.076 64.306 62.300 -0.117 0.000 1.032 62 V CB -0.398 31.393 31.823 -0.054 0.000 0.645 62 V HN 0.287 nan 8.190 nan 0.000 0.447 63 D N -1.980 118.295 120.400 -0.208 0.000 2.317 63 D HA -0.052 4.592 4.640 0.006 0.000 0.211 63 D C 1.971 177.892 176.300 -0.633 0.000 0.966 63 D CA 0.775 54.552 54.000 -0.372 0.000 0.876 63 D CB -0.192 40.516 40.800 -0.154 0.000 0.927 63 D HN 0.536 nan 8.370 nan 0.000 0.519 64 H N -0.650 118.164 119.070 -0.426 0.000 2.563 64 H HA 0.062 4.622 4.556 0.005 0.000 0.264 64 H C -0.076 175.063 175.328 -0.316 0.000 0.957 64 H CA 0.417 56.284 56.048 -0.303 0.000 1.173 64 H CB 0.379 30.051 29.762 -0.149 0.000 1.420 64 H HN 0.273 nan 8.280 nan 0.000 0.551 65 H N -0.274 118.649 119.070 -0.245 0.000 2.880 65 H HA -0.132 4.427 4.556 0.005 0.000 0.304 65 H C 0.770 176.050 175.328 -0.080 0.000 1.259 65 H CA 0.898 56.749 56.048 -0.328 0.000 1.153 65 H CB -1.910 27.338 29.762 -0.856 0.000 1.395 65 H HN 0.415 nan 8.280 nan 0.000 0.420 66 T N -4.019 110.589 114.554 0.091 0.000 3.091 66 T HA 0.024 4.378 4.350 0.006 0.000 0.277 66 T C 1.384 176.191 174.700 0.178 0.000 0.996 66 T CA 0.190 62.444 62.100 0.256 0.000 0.897 66 T CB 0.403 69.365 68.868 0.157 0.000 1.109 66 T HN 0.385 nan 8.240 nan 0.000 0.534 67 D N 2.300 122.711 120.400 0.018 0.000 2.310 67 D HA -0.093 4.550 4.640 0.006 0.000 0.212 67 D C 1.523 177.795 176.300 -0.047 0.000 0.965 67 D CA 0.549 54.541 54.000 -0.013 0.000 0.879 67 D CB -0.094 40.685 40.800 -0.035 0.000 0.921 67 D HN 0.410 nan 8.370 nan 0.000 0.510 68 K N -0.524 119.753 120.400 -0.206 0.000 2.296 68 K HA -0.035 4.289 4.320 0.006 0.000 0.200 68 K C 0.132 176.635 176.600 -0.162 0.000 1.048 68 K CA 0.070 56.131 56.287 -0.377 0.000 0.966 68 K CB -0.146 31.711 32.500 -1.071 0.000 0.754 68 K HN 0.187 nan 8.250 nan 0.000 0.466 69 Y N 2.387 122.699 120.300 0.019 0.000 2.610 69 Y HA -0.065 4.487 4.550 0.003 0.000 0.332 69 Y C 0.825 176.766 175.900 0.069 0.000 1.201 69 Y CA 0.059 58.248 58.100 0.148 0.000 1.465 69 Y CB 0.350 38.860 38.460 0.083 0.000 1.283 69 Y HN -0.071 nan 8.280 nan 0.000 0.563 70 E N 3.734 124.063 120.200 0.215 0.000 1.979 70 E HA 0.055 4.409 4.350 0.006 0.000 0.285 70 E C -0.638 175.999 176.600 0.062 0.000 1.188 70 E CA -0.060 56.397 56.400 0.095 0.000 1.214 70 E CB -0.411 29.300 29.700 0.019 0.000 1.210 70 E HN 0.469 nan 8.360 nan 0.000 0.477 71 N N 2.026 120.764 118.700 0.062 0.000 2.452 71 N HA 0.011 4.754 4.740 0.006 0.000 0.277 71 N C -0.244 175.282 175.510 0.027 0.000 1.078 71 N CA -0.304 52.764 53.050 0.031 0.000 0.947 71 N CB 1.111 39.584 38.487 -0.023 0.000 1.655 71 N HN 0.069 nan 8.380 nan 0.000 0.490 72 N N 1.449 120.167 118.700 0.030 0.000 2.270 72 N HA 0.031 4.775 4.740 0.006 0.000 0.198 72 N C -0.419 175.105 175.510 0.022 0.000 1.117 72 N CA 0.102 53.163 53.050 0.018 0.000 0.845 72 N CB 0.354 38.848 38.487 0.011 0.000 0.980 72 N HN 0.299 nan 8.380 nan 0.000 0.486 73 K N 0.720 121.160 120.400 0.067 0.000 2.090 73 K HA 0.238 4.561 4.320 0.006 0.000 0.249 73 K C -0.045 176.590 176.600 0.058 0.000 0.995 73 K CA -1.000 55.340 56.287 0.087 0.000 0.914 73 K CB 1.359 33.985 32.500 0.210 0.000 1.057 73 K HN 0.101 nan 8.250 nan 0.000 0.462 74 L N 1.641 122.871 121.223 0.012 0.000 2.456 74 L HA 0.221 4.565 4.340 0.006 0.000 0.272 74 L C -0.495 176.357 176.870 -0.031 0.000 1.189 74 L CA 0.676 55.481 54.840 -0.057 0.000 0.846 74 L CB 0.071 42.062 42.059 -0.112 0.000 1.111 74 L HN 0.453 nan 8.230 nan 0.000 0.475 75 I N 6.178 126.670 120.570 -0.130 0.000 2.529 75 I HA 0.355 4.528 4.170 0.006 0.000 0.284 75 I C -0.629 175.338 176.117 -0.251 0.000 1.088 75 I CA -0.654 60.558 61.300 -0.146 0.000 1.062 75 I CB 1.719 39.570 38.000 -0.248 0.000 1.218 75 I HN 0.532 nan 8.210 nan 0.000 0.442 76 V N 2.934 122.644 119.914 -0.340 0.000 3.166 76 V HA 0.703 4.826 4.120 0.006 0.000 0.317 76 V C -0.389 175.662 176.094 -0.073 0.000 1.136 76 V CA -0.944 61.104 62.300 -0.420 0.000 1.035 76 V CB 2.124 33.379 31.823 -0.948 0.000 1.110 76 V HN 0.643 nan 8.190 nan 0.000 0.450 77 R N 0.828 121.465 120.500 0.228 0.000 2.637 77 R HA 0.559 4.902 4.340 0.006 0.000 0.291 77 R C -0.364 176.008 176.300 0.120 0.000 0.963 77 R CA -0.874 55.342 56.100 0.193 0.000 0.901 77 R CB 2.205 32.666 30.300 0.268 0.000 1.160 77 R HN 0.965 nan 8.270 nan 0.000 0.457 78 R N 0.247 120.757 120.500 0.018 0.000 2.641 78 R HA 0.346 4.690 4.340 0.006 0.000 0.269 78 R C 0.418 176.684 176.300 -0.057 0.000 1.074 78 R CA 0.492 56.541 56.100 -0.085 0.000 1.133 78 R CB 0.464 30.690 30.300 -0.123 0.000 1.029 78 R HN 0.774 nan 8.270 nan 0.000 0.488 79 G N -0.037 108.665 108.800 -0.163 0.000 2.176 79 G HA2 -0.321 3.642 3.960 0.006 0.000 0.253 79 G HA3 -0.321 3.642 3.960 0.006 0.000 0.253 79 G C -0.089 174.751 174.900 -0.101 0.000 0.979 79 G CA 0.554 45.572 45.100 -0.137 0.000 0.641 79 G HN 0.751 nan 8.290 nan 0.000 0.530 80 Q N 0.624 120.396 119.800 -0.047 0.000 2.375 80 Q HA 0.622 4.965 4.340 0.006 0.000 0.271 80 Q C 0.367 176.428 176.000 0.102 0.000 1.074 80 Q CA -0.071 55.721 55.803 -0.018 0.000 0.808 80 Q CB 1.654 30.322 28.738 -0.116 0.000 1.327 80 Q HN 0.632 nan 8.270 nan 0.000 0.441 81 S N 2.318 118.021 115.700 0.004 0.000 2.580 81 S HA 0.622 5.095 4.470 0.006 0.000 0.274 81 S C -0.400 174.277 174.600 0.128 0.000 1.329 81 S CA -0.523 57.642 58.200 -0.058 0.000 1.036 81 S CB 0.258 63.328 63.200 -0.218 0.000 0.919 81 S HN 0.451 nan 8.310 nan 0.000 0.515 82 F N -1.120 118.735 119.950 -0.158 0.000 2.629 82 F HA 0.766 5.298 4.527 0.008 0.000 0.316 82 F C -1.599 174.063 175.800 -0.231 0.000 1.081 82 F CA -1.947 55.947 58.000 -0.177 0.000 0.954 82 F CB 0.599 39.456 39.000 -0.239 0.000 1.337 82 F HN 0.471 nan 8.300 nan 0.000 0.474 83 Y N 1.525 121.957 120.300 0.220 0.000 2.342 83 Y HA 0.650 5.203 4.550 0.005 0.000 0.334 83 Y C 0.138 176.255 175.900 0.361 0.000 1.067 83 Y CA -0.977 57.229 58.100 0.178 0.000 1.128 83 Y CB 1.883 40.428 38.460 0.140 0.000 1.200 83 Y HN 0.705 nan 8.280 nan 0.000 0.464 84 V N 0.638 120.806 119.914 0.423 0.000 3.102 84 V HA 0.677 4.800 4.120 0.006 0.000 0.312 84 V C -1.245 175.050 176.094 0.334 0.000 1.135 84 V CA -1.043 61.458 62.300 0.335 0.000 1.022 84 V CB 2.043 33.981 31.823 0.192 0.000 1.056 84 V HN 0.774 nan 8.190 nan 0.000 0.436 85 Q N 1.852 121.750 119.800 0.164 0.000 2.337 85 Q HA 0.633 4.977 4.340 0.006 0.000 0.270 85 Q C -2.029 173.988 176.000 0.028 0.000 1.043 85 Q CA -0.850 55.048 55.803 0.159 0.000 0.794 85 Q CB 2.233 31.116 28.738 0.242 0.000 1.281 85 Q HN 0.803 nan 8.270 nan 0.000 0.446 86 I N 3.217 123.744 120.570 -0.071 0.000 2.406 86 I HA 0.364 4.537 4.170 0.006 0.000 0.290 86 I C -0.800 175.070 176.117 -0.412 0.000 0.999 86 I CA -0.684 60.414 61.300 -0.336 0.000 1.124 86 I CB 1.566 39.193 38.000 -0.621 0.000 1.289 86 I HN 0.650 nan 8.210 nan 0.000 0.441 87 D N 6.239 126.420 120.400 -0.364 0.000 2.233 87 D HA 0.491 5.135 4.640 0.006 0.000 0.240 87 D C -0.458 175.599 176.300 -0.404 0.000 1.074 87 D CA 0.066 53.920 54.000 -0.244 0.000 0.838 87 D CB 1.289 42.076 40.800 -0.022 0.000 1.124 87 D HN 0.051 nan 8.370 nan 0.000 0.475 88 F N 0.185 120.117 119.950 -0.031 0.000 2.497 88 F HA 0.166 4.697 4.527 0.007 0.000 0.331 88 F C 2.076 177.871 175.800 -0.008 0.000 1.060 88 F CA -0.880 57.098 58.000 -0.037 0.000 0.989 88 F CB 1.093 40.062 39.000 -0.050 0.000 1.245 88 F HN 0.218 nan 8.300 nan 0.000 0.486 89 S N 0.677 116.515 115.700 0.229 0.000 2.383 89 S HA -0.125 4.349 4.470 0.006 0.000 0.229 89 S C 0.563 175.220 174.600 0.095 0.000 1.030 89 S CA 0.964 59.236 58.200 0.118 0.000 1.002 89 S CB -0.507 62.747 63.200 0.090 0.000 0.829 89 S HN 0.721 nan 8.310 nan 0.000 0.467 90 R N -0.039 120.524 120.500 0.106 0.000 2.831 90 R HA 0.651 4.995 4.340 0.006 0.000 0.266 90 R C -3.617 172.741 176.300 0.096 0.000 1.051 90 R CA -2.486 53.656 56.100 0.070 0.000 0.943 90 R CB -0.087 30.225 30.300 0.020 0.000 1.228 90 R HN -0.092 nan 8.270 nan 0.000 0.467 91 P HA -0.039 nan 4.420 nan 0.000 0.271 91 P C -1.153 176.184 177.300 0.061 0.000 1.220 91 P CA 0.001 63.162 63.100 0.101 0.000 0.768 91 P CB 0.015 31.757 31.700 0.070 0.000 0.848 92 Y N 3.248 123.528 120.300 -0.035 0.000 2.712 92 Y HA 0.120 4.674 4.550 0.006 0.000 0.333 92 Y C 0.004 175.896 175.900 -0.013 0.000 1.225 92 Y CA 0.415 58.445 58.100 -0.118 0.000 1.499 92 Y CB 0.184 38.589 38.460 -0.091 0.000 1.288 92 Y HN 0.284 nan 8.280 nan 0.000 0.575 93 D N 8.470 128.451 120.400 -0.699 0.000 2.542 93 D HA 0.274 4.918 4.640 0.006 0.000 0.252 93 D C -2.239 173.598 176.300 -0.772 0.000 1.222 93 D CA -2.580 51.068 54.000 -0.587 0.000 0.895 93 D CB 1.961 42.605 40.800 -0.259 0.000 1.207 93 D HN 0.337 nan 8.370 nan 0.000 0.558 94 P HA -0.113 nan 4.420 nan 0.000 0.223 94 P C 0.945 178.148 177.300 -0.162 0.000 1.144 94 P CA 0.771 63.643 63.100 -0.379 0.000 0.783 94 P CB 0.318 31.942 31.700 -0.128 0.000 0.771 95 R N -0.114 120.297 120.500 -0.148 0.000 2.200 95 R HA 0.075 4.418 4.340 0.006 0.000 0.208 95 R C 2.008 178.281 176.300 -0.046 0.000 1.033 95 R CA 0.809 56.866 56.100 -0.072 0.000 1.000 95 R CB -0.086 30.178 30.300 -0.060 0.000 0.906 95 R HN 0.352 nan 8.270 nan 0.000 0.462 96 R N -0.906 119.555 120.500 -0.065 0.000 2.541 96 R HA 0.261 4.605 4.340 0.006 0.000 0.332 96 R C -0.616 175.718 176.300 0.057 0.000 0.951 96 R CA -0.292 55.809 56.100 0.002 0.000 1.136 96 R CB 0.589 30.884 30.300 -0.009 0.000 1.449 96 R HN -0.075 nan 8.270 nan 0.000 0.531 97 D N 1.506 121.923 120.400 0.028 0.000 2.342 97 D HA 0.370 5.013 4.640 0.006 0.000 0.243 97 D C -1.294 175.164 176.300 0.263 0.000 1.019 97 D CA -0.583 53.510 54.000 0.156 0.000 0.864 97 D CB 2.830 43.707 40.800 0.128 0.000 1.315 97 D HN -0.072 nan 8.370 nan 0.000 0.468 98 L N 2.974 124.376 121.223 0.298 0.000 2.441 98 L HA 0.553 4.897 4.340 0.006 0.000 0.270 98 L C -1.712 175.383 176.870 0.374 0.000 0.973 98 L CA -0.631 54.353 54.840 0.240 0.000 0.842 98 L CB 1.067 43.192 42.059 0.110 0.000 1.239 98 L HN 0.343 nan 8.230 nan 0.000 0.406 99 F N 3.389 123.432 119.950 0.155 0.000 2.626 99 F HA 0.923 5.453 4.527 0.005 0.000 0.311 99 F C -1.086 174.786 175.800 0.119 0.000 1.088 99 F CA -0.888 57.243 58.000 0.218 0.000 0.949 99 F CB 1.550 40.676 39.000 0.209 0.000 1.322 99 F HN 0.621 nan 8.300 nan 0.000 0.461 100 R N 1.411 122.044 120.500 0.222 0.000 2.707 100 R HA 0.795 5.139 4.340 0.006 0.000 0.272 100 R C -2.197 174.227 176.300 0.207 0.000 1.011 100 R CA -1.071 55.021 56.100 -0.013 0.000 0.893 100 R CB 1.734 31.940 30.300 -0.156 0.000 1.233 100 R HN 0.612 nan 8.270 nan 0.000 0.464 101 V N 1.450 121.415 119.914 0.085 0.000 2.732 101 V HA 0.244 4.367 4.120 0.006 0.000 0.297 101 V C 0.110 176.142 176.094 -0.103 0.000 1.060 101 V CA -0.161 62.148 62.300 0.015 0.000 1.038 101 V CB 1.322 33.128 31.823 -0.028 0.000 1.003 101 V HN 0.750 nan 8.190 nan 0.000 0.481 102 E N 1.932 122.024 120.200 -0.180 0.000 2.266 102 E HA 0.551 4.905 4.350 0.006 0.000 0.268 102 E C -1.914 174.434 176.600 -0.421 0.000 0.879 102 E CA -0.604 55.674 56.400 -0.204 0.000 0.762 102 E CB 2.361 32.124 29.700 0.106 0.000 1.199 102 E HN 0.592 nan 8.360 nan 0.000 0.422 103 Y N 0.554 120.755 120.300 -0.164 0.000 2.350 103 Y HA 0.472 5.025 4.550 0.005 0.000 0.338 103 Y C -0.554 175.426 175.900 0.134 0.000 0.961 103 Y CA -0.770 57.293 58.100 -0.061 0.000 1.100 103 Y CB 1.680 39.912 38.460 -0.380 0.000 1.179 103 Y HN 0.190 nan 8.280 nan 0.000 0.454 104 V N 5.238 125.445 119.914 0.487 0.000 2.789 104 V HA 0.553 4.676 4.120 0.006 0.000 0.311 104 V C -0.888 175.374 176.094 0.279 0.000 1.073 104 V CA -1.009 61.526 62.300 0.393 0.000 0.921 104 V CB 2.572 34.620 31.823 0.375 0.000 1.009 104 V HN 0.704 nan 8.190 nan 0.000 0.426 105 I N 2.596 123.235 120.570 0.116 0.000 2.607 105 I HA 0.790 4.963 4.170 0.006 0.000 0.290 105 I C 0.104 176.180 176.117 -0.069 0.000 1.129 105 I CA 0.507 61.733 61.300 -0.122 0.000 1.042 105 I CB 1.745 39.408 38.000 -0.562 0.000 1.242 105 I HN 1.044 nan 8.210 nan 0.000 0.421 106 G N 5.617 114.366 108.800 -0.085 0.000 2.712 106 G HA2 -0.228 3.735 3.960 0.006 0.000 0.683 106 G HA3 -0.228 3.735 3.960 0.006 0.000 0.683 106 G C -0.018 174.808 174.900 -0.124 0.000 1.320 106 G CA 0.114 45.169 45.100 -0.075 0.000 0.847 106 G HN 0.934 nan 8.290 nan 0.000 0.553 107 R N -0.928 119.427 120.500 -0.242 0.000 2.153 107 R HA 0.135 4.478 4.340 0.006 0.000 0.218 107 R C 0.441 176.315 176.300 -0.710 0.000 1.072 107 R CA 1.296 57.080 56.100 -0.526 0.000 0.990 107 R CB -0.084 29.747 30.300 -0.782 0.000 0.889 107 R HN 0.558 nan 8.270 nan 0.000 0.452 108 Y N 1.377 121.673 120.300 -0.008 0.000 2.553 108 Y HA 0.396 4.950 4.550 0.006 0.000 0.369 108 Y C -2.266 173.639 175.900 0.008 0.000 0.964 108 Y CA -3.408 54.687 58.100 -0.009 0.000 1.156 108 Y CB 0.550 39.002 38.460 -0.013 0.000 1.218 108 Y HN 0.048 nan 8.280 nan 0.000 0.630 109 P HA 0.130 nan 4.420 nan 0.000 0.271 109 P C -0.670 176.703 177.300 0.121 0.000 1.216 109 P CA 0.037 63.209 63.100 0.120 0.000 0.776 109 P CB 1.252 33.033 31.700 0.134 0.000 0.881 110 Q N 0.439 120.333 119.800 0.156 0.000 2.284 110 Q HA 0.124 4.468 4.340 0.006 0.000 0.269 110 Q C 0.639 176.753 176.000 0.191 0.000 1.026 110 Q CA -0.516 55.370 55.803 0.139 0.000 0.831 110 Q CB 2.266 31.061 28.738 0.095 0.000 1.322 110 Q HN 0.471 nan 8.270 nan 0.000 0.419 111 E N 1.623 121.968 120.200 0.241 0.000 2.118 111 E HA -0.239 4.114 4.350 0.006 0.000 0.195 111 E C 1.132 177.807 176.600 0.125 0.000 0.992 111 E CA 1.950 58.487 56.400 0.228 0.000 0.804 111 E CB 0.290 30.154 29.700 0.273 0.000 0.741 111 E HN 0.607 nan 8.360 nan 0.000 0.458 112 N N 0.048 118.810 118.700 0.104 0.000 2.461 112 N HA -0.089 4.655 4.740 0.006 0.000 0.188 112 N C 0.677 176.234 175.510 0.079 0.000 1.134 112 N CA 0.500 53.597 53.050 0.079 0.000 0.878 112 N CB 0.252 38.777 38.487 0.064 0.000 0.972 112 N HN -0.001 nan 8.380 nan 0.000 0.456 113 K N -0.374 120.080 120.400 0.091 0.000 2.374 113 K HA 0.250 4.574 4.320 0.006 0.000 0.196 113 K C 0.928 177.592 176.600 0.105 0.000 1.023 113 K CA 0.400 56.741 56.287 0.090 0.000 1.103 113 K CB 0.003 32.556 32.500 0.088 0.000 0.848 113 K HN 0.339 nan 8.250 nan 0.000 0.528 114 G N 1.680 110.545 108.800 0.109 0.000 2.159 114 G HA2 -0.313 3.650 3.960 0.006 0.000 0.256 114 G HA3 -0.313 3.650 3.960 0.006 0.000 0.256 114 G C 0.852 175.844 174.900 0.154 0.000 0.977 114 G CA 1.137 46.310 45.100 0.122 0.000 0.652 114 G HN 0.383 nan 8.290 nan 0.000 0.531 115 T N -3.625 111.023 114.554 0.158 0.000 2.990 115 T HA 0.432 4.785 4.350 0.006 0.000 0.250 115 T C 0.556 175.394 174.700 0.229 0.000 1.041 115 T CA 0.744 62.956 62.100 0.187 0.000 1.010 115 T CB 0.468 69.415 68.868 0.132 0.000 1.003 115 T HN 0.955 nan 8.240 nan 0.000 0.499 116 Y N 1.847 122.193 120.300 0.077 0.000 2.328 116 Y HA 0.674 5.227 4.550 0.005 0.000 0.337 116 Y C -1.300 174.597 175.900 -0.004 0.000 0.966 116 Y CA -2.542 55.589 58.100 0.051 0.000 1.136 116 Y CB 0.839 39.316 38.460 0.028 0.000 1.170 116 Y HN 0.094 nan 8.280 nan 0.000 0.470 117 I N 9.833 130.012 120.570 -0.651 0.000 2.437 117 I HA 0.335 4.508 4.170 0.006 0.000 0.279 117 I C -2.534 173.081 176.117 -0.837 0.000 1.028 117 I CA -2.165 58.689 61.300 -0.744 0.000 1.142 117 I CB 1.619 39.105 38.000 -0.856 0.000 1.266 117 I HN 0.482 nan 8.210 nan 0.000 0.461 118 P HA 0.159 nan 4.420 nan 0.000 0.282 118 P C -0.454 176.671 177.300 -0.292 0.000 1.274 118 P CA -0.219 62.619 63.100 -0.437 0.000 0.770 118 P CB 1.260 32.827 31.700 -0.221 0.000 0.867 119 V N 6.828 126.618 119.914 -0.206 0.000 2.333 119 V HA 0.276 4.399 4.120 0.006 0.000 0.274 119 V C -1.785 174.250 176.094 -0.097 0.000 1.028 119 V CA -1.868 60.382 62.300 -0.084 0.000 0.851 119 V CB 1.073 32.916 31.823 0.035 0.000 1.000 119 V HN 0.519 nan 8.190 nan 0.000 0.456 120 P HA 0.293 nan 4.420 nan 0.000 0.280 120 P C -0.409 176.801 177.300 -0.151 0.000 1.244 120 P CA -0.453 62.556 63.100 -0.150 0.000 0.784 120 P CB 1.172 32.803 31.700 -0.116 0.000 0.913 121 I N 3.976 124.405 120.570 -0.235 0.000 2.662 121 I HA 0.011 4.184 4.170 0.006 0.000 0.285 121 I C 0.927 176.968 176.117 -0.128 0.000 1.161 121 I CA 0.180 61.347 61.300 -0.222 0.000 1.415 121 I CB -0.107 37.693 38.000 -0.333 0.000 1.385 121 I HN 0.171 nan 8.210 nan 0.000 0.552 122 V N 3.201 123.065 119.914 -0.083 0.000 3.001 122 V HA 0.527 4.651 4.120 0.006 0.000 0.314 122 V C 0.729 176.805 176.094 -0.030 0.000 1.099 122 V CA -0.694 61.575 62.300 -0.052 0.000 0.989 122 V CB 1.561 33.359 31.823 -0.042 0.000 1.040 122 V HN 0.656 nan 8.190 nan 0.000 0.434 123 S N 0.634 116.323 115.700 -0.017 0.000 2.387 123 S HA 0.090 4.564 4.470 0.006 0.000 0.226 123 S C 0.452 175.049 174.600 -0.004 0.000 1.026 123 S CA 1.052 59.251 58.200 -0.002 0.000 0.972 123 S CB -0.254 62.946 63.200 0.001 0.000 0.814 123 S HN 0.872 nan 8.310 nan 0.000 0.477 124 E N 0.312 120.504 120.200 -0.013 0.000 2.314 124 E HA 0.402 4.756 4.350 0.006 0.000 0.272 124 E C -0.992 175.592 176.600 -0.027 0.000 0.884 124 E CA -0.461 55.929 56.400 -0.016 0.000 0.753 124 E CB 1.542 31.234 29.700 -0.013 0.000 1.213 124 E HN 0.131 nan 8.360 nan 0.000 0.432 125 L N 1.975 123.176 121.223 -0.036 0.000 2.490 125 L HA 0.060 4.404 4.340 0.006 0.000 0.274 125 L C 0.555 177.399 176.870 -0.044 0.000 1.201 125 L CA 0.401 55.212 54.840 -0.049 0.000 0.869 125 L CB 0.078 42.095 42.059 -0.071 0.000 1.123 125 L HN 0.258 nan 8.230 nan 0.000 0.484 126 Q N 1.720 121.494 119.800 -0.044 0.000 2.312 126 Q HA 0.311 4.655 4.340 0.006 0.000 0.263 126 Q C -0.573 175.396 176.000 -0.052 0.000 0.995 126 Q CA -0.618 55.162 55.803 -0.039 0.000 0.853 126 Q CB 2.157 30.879 28.738 -0.027 0.000 1.300 126 Q HN 0.554 nan 8.270 nan 0.000 0.448 127 S N 0.577 116.247 115.700 -0.050 0.000 2.537 127 S HA 0.302 4.775 4.470 0.006 0.000 0.286 127 S C 1.074 175.641 174.600 -0.056 0.000 1.299 127 S CA 1.322 59.486 58.200 -0.060 0.000 1.067 127 S CB 0.013 63.181 63.200 -0.054 0.000 0.864 127 S HN 0.926 nan 8.310 nan 0.000 0.494 128 G N 3.962 112.718 108.800 -0.073 0.000 2.241 128 G HA2 -0.208 3.755 3.960 0.006 0.000 0.244 128 G HA3 -0.208 3.755 3.960 0.006 0.000 0.244 128 G C -0.163 174.702 174.900 -0.058 0.000 0.998 128 G CA 0.237 45.301 45.100 -0.060 0.000 0.621 128 G HN 0.648 nan 8.290 nan 0.000 0.519 129 K N -0.808 119.556 120.400 -0.059 0.000 2.267 129 K HA 0.504 4.827 4.320 0.006 0.000 0.246 129 K C -0.663 175.918 176.600 -0.031 0.000 0.954 129 K CA -1.096 55.184 56.287 -0.011 0.000 0.824 129 K CB 1.471 33.983 32.500 0.021 0.000 1.167 129 K HN 0.102 nan 8.250 nan 0.000 0.431 130 W N 1.065 122.336 121.300 -0.049 0.000 2.264 130 W HA 0.269 4.932 4.660 0.005 0.000 0.331 130 W C 0.821 177.298 176.519 -0.069 0.000 1.364 130 W CA 0.998 58.307 57.345 -0.060 0.000 1.253 130 W CB 0.766 30.191 29.460 -0.058 0.000 1.215 130 W HN 0.714 nan 8.180 nan 0.000 0.561 131 G N 0.653 109.554 108.800 0.167 0.000 2.576 131 G HA2 0.710 4.674 3.960 0.006 0.000 0.290 131 G HA3 0.710 4.674 3.960 0.006 0.000 0.290 131 G C -2.177 172.733 174.900 0.017 0.000 1.442 131 G CA -0.618 44.522 45.100 0.067 0.000 0.792 131 G HN 0.711 nan 8.290 nan 0.000 0.491 132 A N 0.545 123.349 122.820 -0.026 0.000 2.385 132 A HA 0.760 5.083 4.320 0.006 0.000 0.290 132 A C -0.479 177.068 177.584 -0.062 0.000 1.094 132 A CA -0.594 51.410 52.037 -0.056 0.000 0.729 132 A CB 1.479 20.452 19.000 -0.045 0.000 1.194 132 A HN 0.719 nan 8.150 nan 0.000 0.442 133 K N 3.684 124.051 120.400 -0.054 0.000 2.206 133 K HA 0.588 4.912 4.320 0.006 0.000 0.264 133 K C -0.962 175.646 176.600 0.013 0.000 0.967 133 K CA -0.603 55.669 56.287 -0.024 0.000 0.844 133 K CB 0.767 33.255 32.500 -0.020 0.000 1.099 133 K HN 0.687 nan 8.250 nan 0.000 0.441 134 I N 5.301 125.889 120.570 0.030 0.000 2.494 134 I HA -0.067 4.107 4.170 0.006 0.000 0.289 134 I C 1.043 177.211 176.117 0.086 0.000 1.106 134 I CA -0.064 61.280 61.300 0.073 0.000 1.369 134 I CB 1.173 39.225 38.000 0.087 0.000 1.410 134 I HN 0.516 nan 8.210 nan 0.000 0.523 135 V N 7.885 127.862 119.914 0.104 0.000 3.644 135 V HA 0.278 4.402 4.120 0.006 0.000 0.267 135 V C 0.269 176.417 176.094 0.090 0.000 1.277 135 V CA 0.492 62.854 62.300 0.102 0.000 1.096 135 V CB 0.254 32.166 31.823 0.149 0.000 0.828 135 V HN 0.790 nan 8.190 nan 0.000 0.446 136 M N 0.503 120.163 119.600 0.101 0.000 2.471 136 M HA 0.533 5.016 4.480 0.006 0.000 0.284 136 M C -1.573 174.796 176.300 0.115 0.000 1.203 136 M CA -0.444 54.910 55.300 0.089 0.000 0.915 136 M CB 1.983 34.620 32.600 0.062 0.000 1.734 136 M HN -0.060 nan 8.290 nan 0.000 0.485 137 R N 2.984 123.552 120.500 0.114 0.000 2.468 137 R HA 0.478 4.822 4.340 0.006 0.000 0.302 137 R C -1.564 174.802 176.300 0.109 0.000 1.041 137 R CA -0.554 55.632 56.100 0.143 0.000 0.899 137 R CB 1.813 32.218 30.300 0.176 0.000 1.167 137 R HN 0.668 nan 8.270 nan 0.000 0.483 138 E N 2.185 122.446 120.200 0.101 0.000 2.241 138 E HA 0.106 4.460 4.350 0.006 0.000 0.263 138 E C -0.676 175.971 176.600 0.078 0.000 0.882 138 E CA -0.677 55.768 56.400 0.074 0.000 0.769 138 E CB 1.691 31.422 29.700 0.051 0.000 1.185 138 E HN 0.479 nan 8.360 nan 0.000 0.415 139 D N 2.295 122.737 120.400 0.069 0.000 3.750 139 D HA -0.322 4.321 4.640 0.006 0.000 0.149 139 D C 0.704 177.061 176.300 0.095 0.000 0.867 139 D CA 2.401 56.441 54.000 0.067 0.000 1.010 139 D CB -0.068 40.763 40.800 0.051 0.000 0.462 139 D HN 0.693 nan 8.370 nan 0.000 0.436 140 R N -0.067 120.491 120.500 0.097 0.000 2.359 140 R HA 0.398 4.741 4.340 0.006 0.000 0.231 140 R C 0.230 176.631 176.300 0.169 0.000 0.913 140 R CA -0.081 56.103 56.100 0.140 0.000 1.075 140 R CB 0.186 30.559 30.300 0.122 0.000 1.087 140 R HN 0.037 nan 8.270 nan 0.000 0.515 141 S N 0.851 116.627 115.700 0.127 0.000 2.578 141 S HA 0.469 4.942 4.470 0.006 0.000 0.283 141 S C -0.484 174.201 174.600 0.141 0.000 1.195 141 S CA -0.599 57.662 58.200 0.102 0.000 1.050 141 S CB 2.436 65.678 63.200 0.069 0.000 1.012 141 S HN -0.013 nan 8.310 nan 0.000 0.511 142 V N 2.847 122.830 119.914 0.114 0.000 2.531 142 V HA 0.473 4.596 4.120 0.006 0.000 0.301 142 V C -0.099 176.075 176.094 0.133 0.000 1.034 142 V CA -0.810 61.576 62.300 0.144 0.000 0.865 142 V CB 1.755 33.678 31.823 0.168 0.000 0.995 142 V HN 0.772 nan 8.190 nan 0.000 0.424 143 R N 4.413 125.003 120.500 0.149 0.000 2.312 143 R HA 0.733 5.077 4.340 0.006 0.000 0.311 143 R C -1.289 175.120 176.300 0.183 0.000 1.004 143 R CA -0.338 55.873 56.100 0.185 0.000 0.902 143 R CB 0.791 31.187 30.300 0.160 0.000 1.073 143 R HN 0.694 nan 8.270 nan 0.000 0.457 144 L N 2.094 123.436 121.223 0.198 0.000 2.342 144 L HA 0.455 4.798 4.340 0.006 0.000 0.271 144 L C -0.222 176.703 176.870 0.093 0.000 1.008 144 L CA -0.909 54.007 54.840 0.127 0.000 0.818 144 L CB 2.106 44.212 42.059 0.079 0.000 1.296 144 L HN 0.549 nan 8.230 nan 0.000 0.427 145 S N 3.006 118.694 115.700 -0.021 0.000 2.448 145 S HA 0.584 5.058 4.470 0.006 0.000 0.320 145 S C -0.513 173.911 174.600 -0.293 0.000 1.071 145 S CA -0.519 57.526 58.200 -0.259 0.000 1.113 145 S CB 0.039 63.093 63.200 -0.245 0.000 0.972 145 S HN 0.419 nan 8.310 nan 0.000 0.465 146 I N 4.740 125.006 120.570 -0.507 0.000 2.321 146 I HA 0.344 4.518 4.170 0.006 0.000 0.291 146 I C 0.236 176.047 176.117 -0.511 0.000 0.998 146 I CA -0.457 60.538 61.300 -0.507 0.000 1.227 146 I CB 1.544 39.103 38.000 -0.735 0.000 1.368 146 I HN 0.564 nan 8.210 nan 0.000 0.466 147 Q N 5.607 125.236 119.800 -0.286 0.000 2.307 147 Q HA 0.387 4.731 4.340 0.006 0.000 0.262 147 Q C -0.451 175.245 176.000 -0.506 0.000 0.961 147 Q CA -0.657 54.970 55.803 -0.293 0.000 0.882 147 Q CB 1.710 30.320 28.738 -0.213 0.000 1.264 147 Q HN 0.802 nan 8.270 nan 0.000 0.446 148 S N 2.368 117.585 115.700 -0.804 0.000 2.632 148 S HA 0.306 4.779 4.470 0.006 0.000 0.271 148 S C 0.078 173.984 174.600 -1.157 0.000 1.260 148 S CA -0.738 56.366 58.200 -1.827 0.000 1.010 148 S CB 1.689 63.965 63.200 -1.540 0.000 0.965 148 S HN 0.598 nan 8.310 nan 0.000 0.534 149 S N 2.222 117.127 115.700 -1.325 0.000 2.549 149 S HA 0.219 4.693 4.470 0.006 0.000 0.286 149 S C -1.197 173.225 174.600 -0.297 0.000 1.314 149 S CA -1.274 56.644 58.200 -0.471 0.000 1.062 149 S CB 0.327 63.451 63.200 -0.127 0.000 0.865 149 S HN 0.715 nan 8.310 nan 0.000 0.498 150 P HA 0.020 nan 4.420 nan 0.000 0.237 150 P C 0.159 177.451 177.300 -0.013 0.000 1.178 150 P CA 0.720 63.773 63.100 -0.079 0.000 0.766 150 P CB 0.061 31.730 31.700 -0.051 0.000 0.876 151 K N -0.970 119.430 120.400 -0.000 0.000 2.417 151 K HA 0.088 4.411 4.320 0.006 0.000 0.196 151 K C 0.781 177.423 176.600 0.070 0.000 1.023 151 K CA -0.335 55.984 56.287 0.054 0.000 1.122 151 K CB -0.278 32.263 32.500 0.068 0.000 0.850 151 K HN 0.131 nan 8.250 nan 0.000 0.521 152 C N 1.563 120.888 119.300 0.040 0.000 2.679 152 C HA 0.137 4.600 4.460 0.006 0.000 0.417 152 C C 0.908 175.959 174.990 0.102 0.000 1.302 152 C CA -0.848 58.245 59.018 0.126 0.000 1.973 152 C CB -0.465 27.322 27.740 0.079 0.000 2.715 152 C HN 0.350 nan 8.230 nan 0.000 0.628 153 I N 5.109 125.811 120.570 0.220 0.000 2.752 153 I HA 0.027 4.201 4.170 0.006 0.000 0.289 153 I C 0.284 176.517 176.117 0.194 0.000 1.197 153 I CA 0.441 61.865 61.300 0.207 0.000 1.432 153 I CB 0.448 38.619 38.000 0.285 0.000 1.359 153 I HN 0.367 nan 8.210 nan 0.000 0.571 154 V N 6.647 126.545 119.914 -0.027 0.000 2.432 154 V HA 0.778 4.902 4.120 0.006 0.000 0.275 154 V C 0.605 176.707 176.094 0.014 0.000 1.043 154 V CA 0.302 62.544 62.300 -0.097 0.000 0.925 154 V CB 0.692 32.212 31.823 -0.504 0.000 0.985 154 V HN 1.068 nan 8.190 nan 0.000 0.466 155 G N 4.493 113.338 108.800 0.076 0.000 2.323 155 G HA2 0.311 4.275 3.960 0.006 0.000 0.291 155 G HA3 0.311 4.275 3.960 0.006 0.000 0.291 155 G C -1.496 173.408 174.900 0.006 0.000 1.278 155 G CA -0.806 44.277 45.100 -0.030 0.000 0.860 155 G HN 0.558 nan 8.290 nan 0.000 0.504 156 K N 0.344 120.635 120.400 -0.181 0.000 2.316 156 K HA 0.641 4.965 4.320 0.006 0.000 0.267 156 K C -1.189 175.239 176.600 -0.286 0.000 1.025 156 K CA -0.506 55.589 56.287 -0.321 0.000 0.896 156 K CB 0.479 32.686 32.500 -0.488 0.000 1.124 156 K HN 0.225 nan 8.250 nan 0.000 0.451 157 F N 2.045 121.902 119.950 -0.155 0.000 2.440 157 F HA 0.462 4.992 4.527 0.005 0.000 0.328 157 F C 0.769 176.556 175.800 -0.021 0.000 1.070 157 F CA -0.747 57.241 58.000 -0.020 0.000 1.011 157 F CB 1.273 40.321 39.000 0.079 0.000 1.226 157 F HN 0.252 nan 8.300 nan 0.000 0.491 158 R N 2.097 122.720 120.500 0.205 0.000 2.297 158 R HA 0.440 4.784 4.340 0.006 0.000 0.308 158 R C -0.436 175.848 176.300 -0.027 0.000 1.029 158 R CA -0.530 55.587 56.100 0.028 0.000 0.929 158 R CB 1.341 31.684 30.300 0.070 0.000 1.046 158 R HN 0.644 nan 8.270 nan 0.000 0.461 159 M N 3.407 122.838 119.600 -0.282 0.000 2.363 159 M HA 0.373 4.857 4.480 0.006 0.000 0.343 159 M C -1.578 174.314 176.300 -0.679 0.000 1.165 159 M CA -0.403 54.651 55.300 -0.410 0.000 1.046 159 M CB 0.963 33.407 32.600 -0.259 0.000 1.648 159 M HN 0.519 nan 8.290 nan 0.000 0.452 160 Y N 1.834 122.020 120.300 -0.191 0.000 2.581 160 Y HA 0.628 5.182 4.550 0.007 0.000 0.345 160 Y C -0.711 175.149 175.900 -0.067 0.000 1.036 160 Y CA -0.894 57.152 58.100 -0.090 0.000 1.042 160 Y CB 1.991 40.434 38.460 -0.029 0.000 1.289 160 Y HN 0.356 nan 8.280 nan 0.000 0.471 161 V N 1.764 121.773 119.914 0.159 0.000 2.555 161 V HA 0.881 5.004 4.120 0.006 0.000 0.302 161 V C -0.477 175.762 176.094 0.241 0.000 1.038 161 V CA -0.778 61.638 62.300 0.194 0.000 0.887 161 V CB 1.423 33.339 31.823 0.154 0.000 0.991 161 V HN 0.861 nan 8.190 nan 0.000 0.434 162 A N 4.039 127.058 122.820 0.330 0.000 2.365 162 A HA 0.891 5.215 4.320 0.006 0.000 0.318 162 A C -1.089 176.745 177.584 0.416 0.000 1.091 162 A CA -0.585 51.602 52.037 0.250 0.000 0.763 162 A CB 1.884 20.971 19.000 0.145 0.000 1.248 162 A HN 0.642 nan 8.150 nan 0.000 0.442 163 V N 2.504 122.553 119.914 0.224 0.000 2.409 163 V HA 0.294 4.417 4.120 0.006 0.000 0.291 163 V C -0.770 175.429 176.094 0.175 0.000 1.020 163 V CA -0.485 62.000 62.300 0.309 0.000 0.848 163 V CB 1.318 33.267 31.823 0.210 0.000 0.990 163 V HN 0.880 nan 8.190 nan 0.000 0.430 164 W N 4.268 125.590 121.300 0.035 0.000 2.332 164 W HA 0.450 5.113 4.660 0.005 0.000 0.306 164 W C 0.585 177.028 176.519 -0.127 0.000 1.149 164 W CA -0.273 57.054 57.345 -0.031 0.000 1.271 164 W CB 1.990 31.452 29.460 0.002 0.000 1.243 164 W HN 0.663 nan 8.180 nan 0.000 0.459 165 T N 0.782 115.243 114.554 -0.154 0.000 2.938 165 T HA 0.402 4.755 4.350 0.006 0.000 0.285 165 T C -1.794 172.816 174.700 -0.151 0.000 1.028 165 T CA -1.820 60.001 62.100 -0.464 0.000 1.005 165 T CB 2.154 70.299 68.868 -1.206 0.000 1.157 165 T HN 0.034 nan 8.240 nan 0.000 0.550 166 P HA -0.004 nan 4.420 nan 0.000 0.219 166 P C 0.425 177.803 177.300 0.131 0.000 1.146 166 P CA 1.056 64.238 63.100 0.137 0.000 0.808 166 P CB -0.109 31.778 31.700 0.312 0.000 0.779 167 Y N -1.657 118.549 120.300 -0.157 0.000 2.478 167 Y HA 0.451 5.004 4.550 0.006 0.000 0.261 167 Y C 1.663 177.480 175.900 -0.139 0.000 1.127 167 Y CA 0.247 58.282 58.100 -0.109 0.000 1.288 167 Y CB -0.101 38.310 38.460 -0.081 0.000 1.084 167 Y HN -0.089 nan 8.280 nan 0.000 0.530 168 G N -0.983 107.791 108.800 -0.042 0.000 2.362 168 G HA2 0.224 4.188 3.960 0.006 0.000 0.288 168 G HA3 0.224 4.188 3.960 0.006 0.000 0.288 168 G C -2.005 172.722 174.900 -0.289 0.000 1.305 168 G CA -0.935 44.077 45.100 -0.146 0.000 0.910 168 G HN -0.212 nan 8.290 nan 0.000 0.518 169 V N 1.281 120.961 119.914 -0.390 0.000 2.370 169 V HA 0.558 4.681 4.120 0.006 0.000 0.279 169 V C 0.491 176.379 176.094 -0.343 0.000 1.029 169 V CA -0.487 61.473 62.300 -0.568 0.000 0.870 169 V CB 0.927 32.210 31.823 -0.899 0.000 0.984 169 V HN 0.605 nan 8.190 nan 0.000 0.451 170 L N 5.628 126.704 121.223 -0.246 0.000 2.325 170 L HA 0.727 5.071 4.340 0.006 0.000 0.279 170 L C 0.047 176.861 176.870 -0.094 0.000 1.054 170 L CA -0.529 54.231 54.840 -0.133 0.000 0.804 170 L CB 1.232 43.255 42.059 -0.060 0.000 1.200 170 L HN 0.618 nan 8.230 nan 0.000 0.436 171 R N 0.674 121.137 120.500 -0.062 0.000 2.698 171 R HA 0.456 4.800 4.340 0.006 0.000 0.275 171 R C -0.628 175.698 176.300 0.044 0.000 1.001 171 R CA -0.502 55.589 56.100 -0.015 0.000 0.896 171 R CB 2.171 32.412 30.300 -0.097 0.000 1.218 171 R HN 0.808 nan 8.270 nan 0.000 0.462 172 T N 0.305 114.927 114.554 0.113 0.000 2.856 172 T HA 0.172 4.526 4.350 0.006 0.000 0.306 172 T C 0.590 175.393 174.700 0.171 0.000 1.062 172 T CA -0.467 61.699 62.100 0.110 0.000 1.083 172 T CB 0.942 69.857 68.868 0.078 0.000 0.984 172 T HN 0.618 nan 8.240 nan 0.000 0.542 173 S N 0.770 116.530 115.700 0.100 0.000 2.632 173 S HA 0.399 4.873 4.470 0.006 0.000 0.267 173 S C 0.236 174.912 174.600 0.126 0.000 1.276 173 S CA -1.140 57.126 58.200 0.109 0.000 0.998 173 S CB 0.473 63.697 63.200 0.041 0.000 0.953 173 S HN 0.928 nan 8.310 nan 0.000 0.547 174 R N 1.350 121.943 120.500 0.154 0.000 2.523 174 R HA 0.096 4.440 4.340 0.006 0.000 0.281 174 R C -0.749 175.521 176.300 -0.051 0.000 0.969 174 R CA 0.767 56.912 56.100 0.076 0.000 1.093 174 R CB -0.517 29.827 30.300 0.075 0.000 0.917 174 R HN 0.759 nan 8.270 nan 0.000 0.408 175 N N 5.326 123.938 118.700 -0.147 0.000 2.581 175 N HA 0.309 5.053 4.740 0.006 0.000 0.279 175 N C -2.426 173.002 175.510 -0.137 0.000 1.124 175 N CA -2.076 50.896 53.050 -0.130 0.000 0.833 175 N CB 1.856 40.252 38.487 -0.151 0.000 1.338 175 N HN 0.315 nan 8.380 nan 0.000 0.533 176 P HA -0.052 nan 4.420 nan 0.000 0.222 176 P C 0.622 177.873 177.300 -0.083 0.000 1.147 176 P CA 0.975 64.024 63.100 -0.085 0.000 0.790 176 P CB 0.521 32.187 31.700 -0.057 0.000 0.780 177 E N -0.541 119.609 120.200 -0.082 0.000 2.268 177 E HA -0.085 4.269 4.350 0.006 0.000 0.195 177 E C 1.549 178.096 176.600 -0.088 0.000 0.995 177 E CA 1.532 57.886 56.400 -0.075 0.000 0.836 177 E CB -1.168 28.485 29.700 -0.078 0.000 0.763 177 E HN 0.428 nan 8.360 nan 0.000 0.491 178 T N -1.229 113.258 114.554 -0.113 0.000 3.086 178 T HA 0.045 4.399 4.350 0.006 0.000 0.250 178 T C 0.308 174.961 174.700 -0.079 0.000 1.074 178 T CA -0.491 61.547 62.100 -0.103 0.000 0.988 178 T CB 0.003 68.789 68.868 -0.137 0.000 0.988 178 T HN -0.232 nan 8.240 nan 0.000 0.530 179 D N 3.124 123.463 120.400 -0.101 0.000 2.531 179 D HA 0.169 4.812 4.640 0.006 0.000 0.239 179 D C -0.212 176.016 176.300 -0.120 0.000 1.144 179 D CA 0.850 54.782 54.000 -0.114 0.000 0.869 179 D CB 0.655 41.354 40.800 -0.169 0.000 1.160 179 D HN 0.212 nan 8.370 nan 0.000 0.484 180 T N 2.660 117.164 114.554 -0.084 0.000 2.840 180 T HA 0.265 4.618 4.350 0.006 0.000 0.287 180 T C -0.416 174.219 174.700 -0.108 0.000 0.991 180 T CA -0.561 61.491 62.100 -0.081 0.000 0.964 180 T CB 0.371 69.232 68.868 -0.011 0.000 0.954 180 T HN 0.084 nan 8.240 nan 0.000 0.438 181 Y N 2.642 122.906 120.300 -0.060 0.000 2.335 181 Y HA 0.475 5.030 4.550 0.007 0.000 0.331 181 Y C 0.595 176.433 175.900 -0.103 0.000 1.094 181 Y CA -0.818 57.254 58.100 -0.047 0.000 1.253 181 Y CB 0.396 38.773 38.460 -0.140 0.000 1.203 181 Y HN 0.461 nan 8.280 nan 0.000 0.508 182 I N 5.542 126.191 120.570 0.133 0.000 2.362 182 I HA 0.359 4.532 4.170 0.006 0.000 0.289 182 I C -0.569 175.547 176.117 -0.003 0.000 0.994 182 I CA -0.356 60.937 61.300 -0.012 0.000 1.158 182 I CB 0.931 38.883 38.000 -0.082 0.000 1.315 182 I HN 0.452 nan 8.210 nan 0.000 0.451 183 L N 4.541 125.746 121.223 -0.030 0.000 2.271 183 L HA 0.591 4.934 4.340 0.006 0.000 0.265 183 L C -0.452 176.390 176.870 -0.047 0.000 1.013 183 L CA -0.941 53.882 54.840 -0.029 0.000 0.820 183 L CB 1.139 43.244 42.059 0.077 0.000 1.352 183 L HN 0.255 nan 8.230 nan 0.000 0.443 184 F N 0.534 120.555 119.950 0.117 0.000 2.490 184 F HA 0.107 4.637 4.527 0.004 0.000 0.336 184 F C 0.725 176.639 175.800 0.189 0.000 1.178 184 F CA 0.296 58.372 58.000 0.126 0.000 1.301 184 F CB 0.179 39.240 39.000 0.101 0.000 1.175 184 F HN 0.347 nan 8.300 nan 0.000 0.593 185 N N 2.325 121.257 118.700 0.386 0.000 2.648 185 N HA 0.320 5.064 4.740 0.006 0.000 0.261 185 N C -2.423 173.304 175.510 0.363 0.000 1.138 185 N CA -2.092 51.196 53.050 0.396 0.000 0.804 185 N CB 1.426 40.087 38.487 0.291 0.000 1.237 185 N HN 0.020 nan 8.380 nan 0.000 0.532 186 P HA 0.032 nan 4.420 nan 0.000 0.226 186 P C 0.869 178.127 177.300 -0.071 0.000 1.153 186 P CA 0.817 63.891 63.100 -0.044 0.000 0.777 186 P CB 0.132 31.568 31.700 -0.439 0.000 0.794 187 W N -1.936 119.444 121.300 0.134 0.000 3.139 187 W HA 0.162 4.825 4.660 0.004 0.000 0.260 187 W C 0.365 177.036 176.519 0.254 0.000 1.312 187 W CA -0.271 57.180 57.345 0.176 0.000 1.606 187 W CB -0.350 29.172 29.460 0.103 0.000 1.118 187 W HN -0.087 nan 8.180 nan 0.000 0.675 188 C N 2.237 121.776 119.300 0.399 0.000 2.325 188 C HA 0.219 4.683 4.460 0.006 0.000 0.347 188 C C 1.688 176.613 174.990 -0.109 0.000 1.263 188 C CA -0.126 58.977 59.018 0.141 0.000 1.806 188 C CB 0.225 28.026 27.740 0.103 0.000 2.405 188 C HN 0.309 nan 8.230 nan 0.000 0.537 189 E N 1.729 121.638 120.200 -0.486 0.000 2.153 189 E HA -0.165 4.189 4.350 0.006 0.000 0.194 189 E C 1.053 177.366 176.600 -0.478 0.000 0.988 189 E CA 1.486 57.247 56.400 -1.065 0.000 0.811 189 E CB 0.172 29.457 29.700 -0.692 0.000 0.746 189 E HN 0.751 nan 8.360 nan 0.000 0.466 190 D N 0.780 121.048 120.400 -0.219 0.000 2.355 190 D HA -0.056 4.587 4.640 0.006 0.000 0.218 190 D C 0.309 176.595 176.300 -0.023 0.000 1.004 190 D CA 0.399 54.337 54.000 -0.103 0.000 0.880 190 D CB 0.041 40.792 40.800 -0.082 0.000 0.911 190 D HN 0.083 nan 8.370 nan 0.000 0.528 191 D N 0.349 120.765 120.400 0.026 0.000 2.302 191 D HA 0.180 4.824 4.640 0.006 0.000 0.248 191 D C 1.175 177.559 176.300 0.140 0.000 1.094 191 D CA -0.297 53.770 54.000 0.111 0.000 0.897 191 D CB 1.751 42.656 40.800 0.175 0.000 1.200 191 D HN -0.078 nan 8.370 nan 0.000 0.429 192 A N 3.247 126.146 122.820 0.131 0.000 1.997 192 A HA -0.156 4.167 4.320 0.006 0.000 0.221 192 A C 1.995 179.631 177.584 0.086 0.000 1.172 192 A CA 1.243 53.336 52.037 0.093 0.000 0.645 192 A CB -0.258 18.794 19.000 0.088 0.000 0.813 192 A HN 0.464 nan 8.150 nan 0.000 0.454 193 V N -0.796 119.209 119.914 0.151 0.000 3.633 193 V HA 0.042 4.165 4.120 0.006 0.000 0.283 193 V C 0.623 176.875 176.094 0.263 0.000 1.305 193 V CA -0.307 62.089 62.300 0.161 0.000 1.153 193 V CB -1.234 30.670 31.823 0.136 0.000 0.950 193 V HN 0.582 nan 8.190 nan 0.000 0.432 194 Y N 1.371 121.744 120.300 0.122 0.000 2.881 194 Y HA 0.085 4.638 4.550 0.006 0.000 0.335 194 Y C -0.115 175.878 175.900 0.155 0.000 1.263 194 Y CA 0.330 58.485 58.100 0.092 0.000 1.572 194 Y CB 0.117 38.620 38.460 0.071 0.000 1.237 194 Y HN 0.097 nan 8.280 nan 0.000 0.568 195 L N 7.968 128.838 121.223 -0.589 0.000 2.343 195 L HA 0.256 4.599 4.340 0.006 0.000 0.278 195 L C -0.181 176.069 176.870 -1.033 0.000 0.996 195 L CA -0.588 53.761 54.840 -0.818 0.000 0.831 195 L CB 1.132 42.653 42.059 -0.897 0.000 1.232 195 L HN 0.750 nan 8.230 nan 0.000 0.413 196 D N 2.761 122.614 120.400 -0.910 0.000 2.676 196 D HA 0.006 4.650 4.640 0.006 0.000 0.239 196 D C -0.193 175.895 176.300 -0.352 0.000 1.213 196 D CA -0.059 53.544 54.000 -0.662 0.000 0.835 196 D CB 0.171 40.765 40.800 -0.343 0.000 1.009 196 D HN 0.272 nan 8.370 nan 0.000 0.479 197 N N 1.224 119.689 118.700 -0.392 0.000 2.500 197 N HA -0.013 4.730 4.740 0.006 0.000 0.291 197 N C 0.421 175.772 175.510 -0.265 0.000 1.092 197 N CA -0.241 52.654 53.050 -0.258 0.000 0.890 197 N CB 2.444 40.789 38.487 -0.237 0.000 1.466 197 N HN -0.208 nan 8.380 nan 0.000 0.507 198 E N 3.315 123.422 120.200 -0.156 0.000 2.085 198 E HA -0.107 4.246 4.350 0.006 0.000 0.194 198 E C 1.123 177.650 176.600 -0.121 0.000 0.994 198 E CA 1.768 58.106 56.400 -0.104 0.000 0.801 198 E CB 0.241 29.954 29.700 0.023 0.000 0.743 198 E HN 0.626 nan 8.360 nan 0.000 0.453 199 K N 0.052 120.381 120.400 -0.118 0.000 2.063 199 K HA -0.173 4.151 4.320 0.006 0.000 0.208 199 K C 2.191 178.655 176.600 -0.227 0.000 1.048 199 K CA 1.675 57.883 56.287 -0.131 0.000 0.928 199 K CB -0.098 32.335 32.500 -0.112 0.000 0.713 199 K HN 0.236 nan 8.250 nan 0.000 0.442 200 E N 0.101 120.138 120.200 -0.273 0.000 2.077 200 E HA -0.178 4.176 4.350 0.006 0.000 0.193 200 E C 2.116 178.506 176.600 -0.349 0.000 0.989 200 E CA 0.972 57.148 56.400 -0.373 0.000 0.800 200 E CB 0.013 29.560 29.700 -0.254 0.000 0.746 200 E HN 0.253 nan 8.360 nan 0.000 0.452 201 R N 0.816 121.094 120.500 -0.370 0.000 2.081 201 R HA -0.119 4.225 4.340 0.006 0.000 0.235 201 R C 2.331 178.512 176.300 -0.198 0.000 1.131 201 R CA 0.932 56.767 56.100 -0.441 0.000 0.960 201 R CB -0.161 29.594 30.300 -0.909 0.000 0.856 201 R HN 0.148 nan 8.270 nan 0.000 0.436 202 E N 0.629 120.763 120.200 -0.110 0.000 2.085 202 E HA -0.226 4.127 4.350 0.006 0.000 0.194 202 E C 1.908 178.482 176.600 -0.042 0.000 0.994 202 E CA 1.304 57.703 56.400 -0.002 0.000 0.801 202 E CB 0.087 29.790 29.700 0.004 0.000 0.743 202 E HN 0.198 nan 8.360 nan 0.000 0.453 203 E N -0.173 119.909 120.200 -0.196 0.000 2.046 203 E HA -0.147 4.207 4.350 0.006 0.000 0.190 203 E C 1.405 177.954 176.600 -0.085 0.000 0.982 203 E CA 1.216 57.470 56.400 -0.243 0.000 0.800 203 E CB -0.240 29.086 29.700 -0.622 0.000 0.756 203 E HN 0.242 nan 8.360 nan 0.000 0.449 204 Y N -1.037 119.266 120.300 0.005 0.000 2.462 204 Y HA 0.221 4.774 4.550 0.005 0.000 0.261 204 Y C 1.616 177.515 175.900 -0.002 0.000 1.146 204 Y CA 0.020 58.134 58.100 0.023 0.000 1.283 204 Y CB 0.591 39.091 38.460 0.066 0.000 1.090 204 Y HN -0.038 nan 8.280 nan 0.000 0.526 205 V N -1.904 118.089 119.914 0.133 0.000 3.058 205 V HA 0.020 4.144 4.120 0.006 0.000 0.233 205 V C 1.461 177.720 176.094 0.274 0.000 1.255 205 V CA 0.430 62.823 62.300 0.155 0.000 1.267 205 V CB 0.137 32.030 31.823 0.117 0.000 1.049 205 V HN 0.015 nan 8.190 nan 0.000 0.486 206 L N 0.346 121.741 121.223 0.285 0.000 2.513 206 L HA 0.284 4.627 4.340 0.006 0.000 0.222 206 L C 0.906 177.985 176.870 0.348 0.000 1.096 206 L CA 0.587 55.662 54.840 0.392 0.000 0.857 206 L CB -1.261 40.942 42.059 0.240 0.000 1.026 206 L HN 0.344 nan 8.230 nan 0.000 0.469 207 N N 2.165 120.997 118.700 0.220 0.000 2.468 207 N HA -0.057 4.687 4.740 0.006 0.000 0.265 207 N C 0.346 176.023 175.510 0.279 0.000 1.199 207 N CA 0.231 53.399 53.050 0.197 0.000 0.928 207 N CB 0.926 39.486 38.487 0.122 0.000 1.059 207 N HN 0.145 nan 8.380 nan 0.000 0.467 208 D N 2.972 123.527 120.400 0.258 0.000 2.424 208 D HA 0.150 4.793 4.640 0.006 0.000 0.220 208 D C 0.087 176.490 176.300 0.170 0.000 1.150 208 D CA 0.080 54.239 54.000 0.266 0.000 0.831 208 D CB -0.179 40.769 40.800 0.247 0.000 0.981 208 D HN 0.393 nan 8.370 nan 0.000 0.500 209 I N 0.383 121.011 120.570 0.097 0.000 2.466 209 I HA 0.571 4.744 4.170 0.006 0.000 0.289 209 I C 0.378 176.392 176.117 -0.172 0.000 1.026 209 I CA -1.008 60.222 61.300 -0.118 0.000 1.078 209 I CB 2.325 40.255 38.000 -0.118 0.000 1.249 209 I HN -0.022 nan 8.210 nan 0.000 0.429 210 G N 4.317 112.817 108.800 -0.500 0.000 2.735 210 G HA2 0.748 4.712 3.960 0.006 0.000 0.301 210 G HA3 0.748 4.712 3.960 0.006 0.000 0.301 210 G C -1.049 173.751 174.900 -0.167 0.000 1.279 210 G CA -0.603 44.327 45.100 -0.283 0.000 1.019 210 G HN 0.513 nan 8.290 nan 0.000 0.497 211 V N -1.700 118.149 119.914 -0.108 0.000 2.531 211 V HA 0.764 4.888 4.120 0.006 0.000 0.301 211 V C -0.710 175.158 176.094 -0.376 0.000 1.034 211 V CA -0.970 61.169 62.300 -0.270 0.000 0.865 211 V CB 1.225 32.842 31.823 -0.343 0.000 0.995 211 V HN 0.590 nan 8.190 nan 0.000 0.424 212 I N 5.289 125.587 120.570 -0.452 0.000 2.377 212 I HA 0.531 4.705 4.170 0.006 0.000 0.293 212 I C -0.764 175.003 176.117 -0.584 0.000 0.987 212 I CA -0.369 60.695 61.300 -0.393 0.000 1.185 212 I CB 1.723 39.554 38.000 -0.283 0.000 1.341 212 I HN 0.576 nan 8.210 nan 0.000 0.455 213 F N 6.676 126.560 119.950 -0.111 0.000 2.408 213 F HA 0.436 4.968 4.527 0.008 0.000 0.344 213 F C 0.103 175.737 175.800 -0.276 0.000 1.112 213 F CA -0.309 57.615 58.000 -0.127 0.000 1.096 213 F CB 0.670 39.619 39.000 -0.085 0.000 1.129 213 F HN 0.364 nan 8.300 nan 0.000 0.486 214 Y N 0.225 120.273 120.300 -0.420 0.000 3.168 214 Y HA 0.902 5.456 4.550 0.007 0.000 0.291 214 Y C 0.696 176.321 175.900 -0.459 0.000 1.801 214 Y CA -1.375 56.103 58.100 -1.036 0.000 1.060 214 Y CB 0.030 37.846 38.460 -1.075 0.000 1.539 214 Y HN 0.846 nan 8.280 nan 0.000 0.500 215 G N 1.068 109.644 108.800 -0.373 0.000 2.536 215 G HA2 0.030 3.993 3.960 0.006 0.000 0.277 215 G HA3 0.030 3.993 3.960 0.006 0.000 0.277 215 G C -0.583 174.412 174.900 0.159 0.000 1.155 215 G CA 0.926 45.959 45.100 -0.111 0.000 0.960 215 G HN 1.457 nan 8.290 nan 0.000 0.544 216 E N -2.362 117.874 120.200 0.061 0.000 2.430 216 E HA 0.640 4.994 4.350 0.006 0.000 0.279 216 E C 0.511 176.902 176.600 -0.347 0.000 1.003 216 E CA -0.064 56.352 56.400 0.027 0.000 0.801 216 E CB 1.291 31.014 29.700 0.039 0.000 1.313 216 E HN 1.440 nan 8.360 nan 0.000 0.459 217 V N 0.923 120.500 119.914 -0.562 0.000 2.490 217 V HA -0.160 3.964 4.120 0.006 0.000 0.250 217 V C 0.375 176.162 176.094 -0.512 0.000 1.061 217 V CA 2.102 63.900 62.300 -0.837 0.000 1.064 217 V CB -0.592 30.827 31.823 -0.673 0.000 0.670 217 V HN 0.662 nan 8.190 nan 0.000 0.461 218 N N 0.426 118.942 118.700 -0.307 0.000 2.270 218 N HA 0.110 4.853 4.740 0.006 0.000 0.198 218 N C -0.225 175.165 175.510 -0.200 0.000 1.117 218 N CA 0.530 53.449 53.050 -0.218 0.000 0.845 218 N CB 0.451 38.850 38.487 -0.145 0.000 0.980 218 N HN 0.608 nan 8.380 nan 0.000 0.486 219 D N 0.532 120.793 120.400 -0.231 0.000 2.752 219 D HA 0.199 4.843 4.640 0.006 0.000 0.242 219 D C -0.925 175.235 176.300 -0.234 0.000 1.295 219 D CA -0.316 53.568 54.000 -0.193 0.000 0.846 219 D CB -0.096 40.614 40.800 -0.150 0.000 1.454 219 D HN -0.064 nan 8.370 nan 0.000 0.535 220 I N 2.885 123.303 120.570 -0.253 0.000 2.436 220 I HA 0.142 4.315 4.170 0.006 0.000 0.289 220 I C 0.722 176.701 176.117 -0.230 0.000 1.083 220 I CA -0.161 61.000 61.300 -0.231 0.000 1.372 220 I CB 0.457 38.339 38.000 -0.198 0.000 1.408 220 I HN -0.084 nan 8.210 nan 0.000 0.516 221 K N 4.644 124.785 120.400 -0.431 0.000 2.095 221 K HA 0.647 4.971 4.320 0.006 0.000 0.252 221 K C -0.113 176.143 176.600 -0.573 0.000 0.977 221 K CA -0.556 55.322 56.287 -0.682 0.000 0.900 221 K CB 1.799 33.478 32.500 -1.368 0.000 1.060 221 K HN 0.677 nan 8.250 nan 0.000 0.449 222 T N -1.295 113.055 114.554 -0.340 0.000 2.912 222 T HA 0.608 4.961 4.350 0.006 0.000 0.299 222 T C -0.438 174.221 174.700 -0.068 0.000 1.052 222 T CA -1.027 60.928 62.100 -0.242 0.000 0.996 222 T CB 2.489 71.190 68.868 -0.278 0.000 1.070 222 T HN 0.452 nan 8.240 nan 0.000 0.465 223 R N 1.110 121.503 120.500 -0.177 0.000 2.808 223 R HA 0.669 5.012 4.340 0.006 0.000 0.272 223 R C -1.006 175.124 176.300 -0.284 0.000 0.995 223 R CA -0.610 55.328 56.100 -0.270 0.000 0.917 223 R CB 2.557 32.465 30.300 -0.652 0.000 1.217 223 R HN 0.776 nan 8.270 nan 0.000 0.471 224 S N 1.278 116.844 115.700 -0.223 0.000 2.654 224 S HA 0.535 5.008 4.470 0.006 0.000 0.283 224 S C -1.380 173.169 174.600 -0.084 0.000 1.180 224 S CA -0.525 57.579 58.200 -0.159 0.000 1.021 224 S CB 0.937 64.059 63.200 -0.130 0.000 1.018 224 S HN 0.469 nan 8.310 nan 0.000 0.532 225 W N 1.797 122.899 121.300 -0.330 0.000 3.042 225 W HA 0.330 5.001 4.660 0.018 0.000 0.337 225 W C -0.705 175.560 176.519 -0.423 0.000 1.086 225 W CA -0.531 56.615 57.345 -0.333 0.000 1.236 225 W CB 1.765 31.024 29.460 -0.335 0.000 1.381 225 W HN 0.561 nan 8.180 nan 0.000 0.472 226 S N 4.898 120.268 115.700 -0.551 0.000 2.423 226 S HA 0.075 4.548 4.470 0.006 0.000 0.302 226 S C 0.794 175.284 174.600 -0.184 0.000 1.143 226 S CA -0.052 57.938 58.200 -0.351 0.000 1.080 226 S CB 0.018 63.055 63.200 -0.271 0.000 1.081 226 S HN 0.395 nan 8.310 nan 0.000 0.522 227 Y N 3.966 124.357 120.300 0.153 0.000 2.114 227 Y HA 0.062 4.615 4.550 0.004 0.000 0.284 227 Y C 2.327 178.255 175.900 0.046 0.000 1.143 227 Y CA 0.745 58.943 58.100 0.163 0.000 1.135 227 Y CB -0.997 37.538 38.460 0.124 0.000 0.980 227 Y HN 0.877 nan 8.280 nan 0.000 0.499 228 G N 0.261 109.150 108.800 0.148 0.000 2.198 228 G HA2 -0.301 3.662 3.960 0.006 0.000 0.257 228 G HA3 -0.301 3.662 3.960 0.006 0.000 0.257 228 G C 1.074 175.983 174.900 0.015 0.000 1.042 228 G CA 0.629 45.779 45.100 0.084 0.000 0.791 228 G HN 0.497 nan 8.290 nan 0.000 0.502 229 Q N -0.801 118.901 119.800 -0.163 0.000 2.369 229 Q HA 0.069 4.412 4.340 0.006 0.000 0.206 229 Q C 1.719 177.431 176.000 -0.479 0.000 0.963 229 Q CA 1.333 56.915 55.803 -0.368 0.000 0.894 229 Q CB -0.231 28.143 28.738 -0.607 0.000 0.965 229 Q HN 0.609 nan 8.270 nan 0.000 0.475 230 F N 1.602 121.511 119.950 -0.069 0.000 2.749 230 F HA 0.272 4.798 4.527 -0.001 0.000 0.300 230 F C 0.894 176.710 175.800 0.027 0.000 1.103 230 F CA -0.409 57.481 58.000 -0.183 0.000 1.342 230 F CB 0.147 38.994 39.000 -0.255 0.000 1.098 230 F HN -0.118 nan 8.300 nan 0.000 0.586 231 E N 1.142 121.460 120.200 0.197 0.000 2.408 231 E HA -0.090 4.264 4.350 0.006 0.000 0.259 231 E C -0.046 176.631 176.600 0.127 0.000 1.110 231 E CA -0.013 56.508 56.400 0.200 0.000 0.929 231 E CB 0.354 30.178 29.700 0.207 0.000 0.971 231 E HN 0.114 nan 8.360 nan 0.000 0.438 232 D N -0.045 120.391 120.400 0.059 0.000 2.487 232 D HA -0.013 4.630 4.640 0.006 0.000 0.243 232 D C 0.953 177.275 176.300 0.037 0.000 1.154 232 D CA 1.377 55.386 54.000 0.016 0.000 0.876 232 D CB 0.418 41.178 40.800 -0.067 0.000 1.161 232 D HN 0.626 nan 8.370 nan 0.000 0.478 233 G N 4.123 112.950 108.800 0.045 0.000 2.253 233 G HA2 -0.267 3.697 3.960 0.006 0.000 0.251 233 G HA3 -0.267 3.697 3.960 0.006 0.000 0.251 233 G C 1.247 176.191 174.900 0.073 0.000 0.998 233 G CA 0.271 45.398 45.100 0.046 0.000 0.621 233 G HN 0.547 nan 8.290 nan 0.000 0.524 234 I N 0.369 120.994 120.570 0.091 0.000 2.233 234 I HA 0.009 4.183 4.170 0.006 0.000 0.243 234 I C 2.707 178.896 176.117 0.120 0.000 1.093 234 I CA 1.577 62.943 61.300 0.110 0.000 1.380 234 I CB -1.182 36.876 38.000 0.096 0.000 1.067 234 I HN 0.312 nan 8.210 nan 0.000 0.413 235 L N 1.523 122.808 121.223 0.104 0.000 2.013 235 L HA -0.238 4.105 4.340 0.006 0.000 0.212 235 L C 2.067 178.997 176.870 0.099 0.000 1.073 235 L CA 2.028 56.902 54.840 0.057 0.000 0.753 235 L CB -1.030 40.955 42.059 -0.123 0.000 0.890 235 L HN 0.203 nan 8.230 nan 0.000 0.432 236 D N -1.297 119.172 120.400 0.114 0.000 2.178 236 D HA -0.151 4.493 4.640 0.006 0.000 0.201 236 D C 2.017 178.433 176.300 0.194 0.000 0.980 236 D CA 1.724 55.827 54.000 0.171 0.000 0.842 236 D CB -0.129 40.754 40.800 0.139 0.000 0.948 236 D HN 0.399 nan 8.370 nan 0.000 0.472 237 T N -0.028 114.636 114.554 0.182 0.000 2.867 237 T HA -0.105 4.249 4.350 0.006 0.000 0.268 237 T C 2.210 177.133 174.700 0.373 0.000 1.057 237 T CA 0.608 62.864 62.100 0.260 0.000 1.136 237 T CB -0.285 68.714 68.868 0.218 0.000 0.874 237 T HN 0.237 nan 8.240 nan 0.000 0.466 238 C N 1.094 120.580 119.300 0.310 0.000 2.446 238 C HA 0.100 4.564 4.460 0.006 0.000 0.277 238 C C 2.665 177.877 174.990 0.369 0.000 1.275 238 C CA 0.243 59.489 59.018 0.379 0.000 1.727 238 C CB -1.325 26.511 27.740 0.159 0.000 2.010 238 C HN 0.532 nan 8.230 nan 0.000 0.486 239 L N -0.405 120.976 121.223 0.264 0.000 2.042 239 L HA -0.204 4.139 4.340 0.006 0.000 0.210 239 L C 2.535 179.560 176.870 0.258 0.000 1.076 239 L CA 1.899 56.879 54.840 0.232 0.000 0.749 239 L CB -1.006 41.166 42.059 0.187 0.000 0.893 239 L HN 0.364 nan 8.230 nan 0.000 0.432 240 Y N 0.605 121.006 120.300 0.169 0.000 2.207 240 Y HA -0.236 4.321 4.550 0.011 0.000 0.287 240 Y C 2.400 178.426 175.900 0.211 0.000 1.156 240 Y CA 1.488 59.679 58.100 0.152 0.000 1.182 240 Y CB -0.268 38.265 38.460 0.121 0.000 0.979 240 Y HN -0.162 nan 8.280 nan 0.000 0.521 241 V N 0.474 120.572 119.914 0.307 0.000 2.261 241 V HA -0.402 3.721 4.120 0.006 0.000 0.246 241 V C 2.407 178.546 176.094 0.076 0.000 1.047 241 V CA 2.445 64.871 62.300 0.211 0.000 1.015 241 V CB -0.654 31.301 31.823 0.221 0.000 0.642 241 V HN 0.472 nan 8.190 nan 0.000 0.446 242 M N -0.348 119.356 119.600 0.173 0.000 2.080 242 M HA -0.211 4.272 4.480 0.006 0.000 0.260 242 M C 2.015 178.337 176.300 0.036 0.000 1.068 242 M CA 2.047 57.427 55.300 0.133 0.000 1.109 242 M CB -0.751 31.973 32.600 0.208 0.000 1.342 242 M HN 0.330 nan 8.290 nan 0.000 0.405 243 D N -0.033 120.369 120.400 0.004 0.000 2.149 243 D HA -0.134 4.509 4.640 0.006 0.000 0.198 243 D C 2.077 178.302 176.300 -0.124 0.000 0.990 243 D CA 1.072 55.040 54.000 -0.053 0.000 0.839 243 D CB -0.396 40.375 40.800 -0.049 0.000 0.948 243 D HN 0.180 nan 8.370 nan 0.000 0.460 244 R N 0.532 120.890 120.500 -0.236 0.000 2.189 244 R HA 0.101 4.445 4.340 0.006 0.000 0.223 244 R C 1.857 178.104 176.300 -0.089 0.000 1.092 244 R CA 0.615 56.587 56.100 -0.213 0.000 0.989 244 R CB -0.613 29.524 30.300 -0.271 0.000 0.876 244 R HN 0.137 nan 8.270 nan 0.000 0.457 245 A N 0.570 123.353 122.820 -0.062 0.000 2.206 245 A HA -0.062 4.262 4.320 0.006 0.000 0.211 245 A C 0.453 178.019 177.584 -0.030 0.000 1.158 245 A CA 0.121 52.132 52.037 -0.043 0.000 0.761 245 A CB -0.095 18.883 19.000 -0.037 0.000 0.801 245 A HN 0.397 nan 8.150 nan 0.000 0.473 246 Q N -1.933 117.850 119.800 -0.027 0.000 2.468 246 Q HA -0.203 4.141 4.340 0.006 0.000 0.289 246 Q C 0.001 176.002 176.000 0.003 0.000 1.299 246 Q CA 0.785 56.581 55.803 -0.011 0.000 0.838 246 Q CB -1.669 27.063 28.738 -0.011 0.000 1.195 246 Q HN 0.813 nan 8.270 nan 0.000 0.456 247 M N 1.462 121.071 119.600 0.014 0.000 2.184 247 M HA 0.097 4.580 4.480 0.006 0.000 0.351 247 M C 0.136 176.459 176.300 0.039 0.000 1.395 247 M CA -0.084 55.235 55.300 0.031 0.000 1.117 247 M CB 0.493 33.128 32.600 0.058 0.000 1.708 247 M HN 0.160 nan 8.290 nan 0.000 0.468 248 D N 3.879 124.302 120.400 0.037 0.000 2.533 248 D HA -0.065 4.579 4.640 0.006 0.000 0.236 248 D C 0.832 177.164 176.300 0.054 0.000 1.137 248 D CA 0.377 54.403 54.000 0.043 0.000 0.867 248 D CB 0.642 41.466 40.800 0.040 0.000 1.170 248 D HN 0.722 nan 8.370 nan 0.000 0.474 249 L N 2.761 124.013 121.223 0.049 0.000 2.131 249 L HA -0.160 4.184 4.340 0.006 0.000 0.210 249 L C 2.295 179.204 176.870 0.066 0.000 1.092 249 L CA 0.801 55.666 54.840 0.041 0.000 0.759 249 L CB -0.309 41.759 42.059 0.015 0.000 0.903 249 L HN 0.420 nan 8.230 nan 0.000 0.435 250 S N -0.198 115.546 115.700 0.073 0.000 2.447 250 S HA -0.070 4.403 4.470 0.006 0.000 0.233 250 S C 1.808 176.465 174.600 0.095 0.000 1.006 250 S CA 1.035 59.288 58.200 0.087 0.000 0.957 250 S CB -0.175 63.072 63.200 0.078 0.000 0.773 250 S HN 0.612 nan 8.310 nan 0.000 0.507 251 G N 0.812 109.667 108.800 0.092 0.000 3.042 251 G HA2 0.016 3.979 3.960 0.006 0.000 0.212 251 G HA3 0.016 3.979 3.960 0.006 0.000 0.212 251 G C 1.124 176.110 174.900 0.143 0.000 1.166 251 G CA -0.400 44.765 45.100 0.109 0.000 0.767 251 G HN 0.375 nan 8.290 nan 0.000 0.546 252 R N 0.317 120.900 120.500 0.137 0.000 2.313 252 R HA 0.085 4.428 4.340 0.006 0.000 0.199 252 R C 1.964 178.372 176.300 0.179 0.000 0.958 252 R CA 0.454 56.654 56.100 0.168 0.000 1.047 252 R CB 0.359 30.730 30.300 0.118 0.000 0.955 252 R HN 0.235 nan 8.270 nan 0.000 0.481 253 G N 0.509 109.408 108.800 0.166 0.000 3.233 253 G HA2 -0.094 3.869 3.960 0.006 0.000 0.234 253 G HA3 -0.094 3.869 3.960 0.006 0.000 0.234 253 G C -0.021 175.067 174.900 0.314 0.000 1.137 253 G CA -0.306 44.878 45.100 0.140 0.000 0.763 253 G HN 0.072 nan 8.290 nan 0.000 0.549 254 N N 1.144 120.031 118.700 0.312 0.000 2.485 254 N HA 0.274 5.017 4.740 0.006 0.000 0.243 254 N C -1.228 174.438 175.510 0.260 0.000 0.987 254 N CA -2.479 50.726 53.050 0.259 0.000 0.940 254 N CB 2.559 41.150 38.487 0.172 0.000 1.122 254 N HN -0.124 nan 8.380 nan 0.000 0.509 255 P HA -0.115 nan 4.420 nan 0.000 0.220 255 P C 1.424 178.707 177.300 -0.030 0.000 1.148 255 P CA 1.038 64.049 63.100 -0.148 0.000 0.803 255 P CB 0.511 32.003 31.700 -0.347 0.000 0.782 256 I N 0.129 120.726 120.570 0.044 0.000 2.179 256 I HA -0.217 3.956 4.170 0.006 0.000 0.242 256 I C 2.778 178.931 176.117 0.060 0.000 1.088 256 I CA 1.647 62.995 61.300 0.079 0.000 1.357 256 I CB -0.578 37.506 38.000 0.140 0.000 1.051 256 I HN -0.042 nan 8.210 nan 0.000 0.409 257 K N 0.856 121.306 120.400 0.083 0.000 2.116 257 K HA -0.064 4.259 4.320 0.006 0.000 0.203 257 K C 2.118 178.763 176.600 0.075 0.000 1.052 257 K CA 0.698 57.014 56.287 0.047 0.000 0.952 257 K CB 0.184 32.730 32.500 0.077 0.000 0.729 257 K HN 0.048 nan 8.250 nan 0.000 0.446 258 V N 1.088 121.091 119.914 0.150 0.000 2.282 258 V HA -0.284 3.839 4.120 0.006 0.000 0.249 258 V C 2.135 178.392 176.094 0.272 0.000 1.057 258 V CA 2.203 64.646 62.300 0.237 0.000 1.032 258 V CB -0.453 31.529 31.823 0.265 0.000 0.645 258 V HN 0.343 nan 8.190 nan 0.000 0.447 259 S N -0.807 115.007 115.700 0.192 0.000 2.383 259 S HA -0.196 4.277 4.470 0.006 0.000 0.227 259 S C 2.080 176.769 174.600 0.149 0.000 1.026 259 S CA 1.568 59.949 58.200 0.302 0.000 0.981 259 S CB -0.332 62.991 63.200 0.205 0.000 0.818 259 S HN 0.492 nan 8.310 nan 0.000 0.472 260 R N 1.567 122.044 120.500 -0.038 0.000 2.070 260 R HA -0.003 4.340 4.340 0.006 0.000 0.233 260 R C 1.988 178.168 176.300 -0.200 0.000 1.137 260 R CA 1.668 57.623 56.100 -0.241 0.000 0.945 260 R CB -1.041 29.014 30.300 -0.408 0.000 0.845 260 R HN 0.267 nan 8.270 nan 0.000 0.430 261 V N -0.105 119.745 119.914 -0.107 0.000 2.323 261 V HA -0.017 4.107 4.120 0.006 0.000 0.244 261 V C 2.271 178.286 176.094 -0.132 0.000 1.041 261 V CA 1.945 64.183 62.300 -0.102 0.000 1.025 261 V CB -1.042 30.765 31.823 -0.027 0.000 0.656 261 V HN 0.622 nan 8.190 nan 0.000 0.451 262 G N 0.485 109.244 108.800 -0.069 0.000 2.418 262 G HA2 -0.278 3.686 3.960 0.006 0.000 0.217 262 G HA3 -0.278 3.686 3.960 0.006 0.000 0.217 262 G C 1.869 176.516 174.900 -0.422 0.000 1.158 262 G CA 1.423 46.340 45.100 -0.305 0.000 0.771 262 G HN 0.636 nan 8.290 nan 0.000 0.545 263 S N 0.993 116.395 115.700 -0.497 0.000 2.402 263 S HA 0.223 4.697 4.470 0.006 0.000 0.229 263 S C 2.520 176.786 174.600 -0.556 0.000 1.021 263 S CA 1.278 58.880 58.200 -0.996 0.000 0.974 263 S CB -0.318 62.218 63.200 -1.107 0.000 0.800 263 S HN 0.561 nan 8.310 nan 0.000 0.484 264 A N 1.470 124.069 122.820 -0.369 0.000 2.067 264 A HA 0.197 4.521 4.320 0.006 0.000 0.219 264 A C 2.139 179.575 177.584 -0.248 0.000 1.158 264 A CA 1.155 53.034 52.037 -0.262 0.000 0.661 264 A CB -0.543 18.329 19.000 -0.213 0.000 0.801 264 A HN 0.508 nan 8.150 nan 0.000 0.452 265 M N -0.746 118.679 119.600 -0.292 0.000 2.541 265 M HA 0.037 4.521 4.480 0.006 0.000 0.252 265 M C 1.879 177.980 176.300 -0.331 0.000 1.125 265 M CA 0.635 55.773 55.300 -0.271 0.000 1.091 265 M CB -0.551 31.887 32.600 -0.270 0.000 1.420 265 M HN 0.245 nan 8.290 nan 0.000 0.486 266 V N 0.717 120.396 119.914 -0.392 0.000 2.283 266 V HA -0.168 3.955 4.120 0.006 0.000 0.243 266 V C 1.086 176.902 176.094 -0.463 0.000 1.039 266 V CA 1.092 63.150 62.300 -0.404 0.000 1.016 266 V CB -0.710 30.868 31.823 -0.408 0.000 0.650 266 V HN 0.475 nan 8.190 nan 0.000 0.449 267 N N 0.688 119.063 118.700 -0.541 0.000 2.470 267 N HA 0.356 5.099 4.740 0.006 0.000 0.268 267 N C -0.362 175.005 175.510 -0.238 0.000 1.136 267 N CA 0.341 53.081 53.050 -0.516 0.000 0.961 267 N CB 0.931 39.144 38.487 -0.457 0.000 1.067 267 N HN 0.392 nan 8.380 nan 0.000 0.468 268 A N 3.684 126.427 122.820 -0.128 0.000 2.309 268 A HA 0.329 4.652 4.320 0.006 0.000 0.290 268 A C -0.353 177.225 177.584 -0.010 0.000 1.206 268 A CA -0.412 51.598 52.037 -0.045 0.000 0.850 268 A CB 0.145 19.154 19.000 0.015 0.000 1.118 268 A HN 0.739 nan 8.150 nan 0.000 0.523 269 K N 2.339 122.730 120.400 -0.014 0.000 2.293 269 K HA 0.348 4.671 4.320 0.006 0.000 0.267 269 K C -0.687 175.922 176.600 0.016 0.000 1.010 269 K CA -0.466 55.820 56.287 -0.001 0.000 0.875 269 K CB 1.002 33.492 32.500 -0.017 0.000 1.106 269 K HN 0.712 nan 8.250 nan 0.000 0.450 270 D N 3.826 124.243 120.400 0.028 0.000 2.812 270 D HA -0.193 4.451 4.640 0.006 0.000 0.237 270 D C -0.693 175.629 176.300 0.036 0.000 1.162 270 D CA 1.041 55.060 54.000 0.031 0.000 0.740 270 D CB -0.912 39.900 40.800 0.020 0.000 1.000 270 D HN 0.861 nan 8.370 nan 0.000 0.416 271 D N -0.470 119.960 120.400 0.049 0.000 3.079 271 D HA -0.218 4.426 4.640 0.006 0.000 0.214 271 D C 0.793 177.134 176.300 0.067 0.000 1.145 271 D CA 1.216 55.251 54.000 0.059 0.000 0.958 271 D CB -0.508 40.320 40.800 0.046 0.000 1.117 271 D HN 0.608 nan 8.370 nan 0.000 0.416 272 E N -0.601 119.632 120.200 0.054 0.000 2.490 272 E HA 0.264 4.618 4.350 0.006 0.000 0.209 272 E C 1.252 177.879 176.600 0.045 0.000 0.971 272 E CA 0.748 57.177 56.400 0.049 0.000 0.988 272 E CB 1.035 30.747 29.700 0.020 0.000 1.029 272 E HN 0.397 nan 8.360 nan 0.000 0.496 273 G N -0.274 108.537 108.800 0.018 0.000 3.257 273 G HA2 0.345 4.309 3.960 0.006 0.000 0.205 273 G HA3 0.345 4.309 3.960 0.006 0.000 0.205 273 G C 0.769 175.592 174.900 -0.129 0.000 1.234 273 G CA -0.177 44.882 45.100 -0.068 0.000 0.918 273 G HN -0.070 nan 8.290 nan 0.000 0.602 274 V N -0.467 119.230 119.914 -0.362 0.000 2.575 274 V HA 0.318 4.442 4.120 0.006 0.000 0.242 274 V C 0.622 176.597 176.094 -0.197 0.000 1.045 274 V CA 0.928 62.882 62.300 -0.576 0.000 1.065 274 V CB -0.386 31.037 31.823 -0.666 0.000 0.717 274 V HN 0.237 nan 8.190 nan 0.000 0.467 275 L N 0.129 121.288 121.223 -0.106 0.000 2.381 275 L HA 0.483 4.826 4.340 0.006 0.000 0.274 275 L C -0.902 176.053 176.870 0.142 0.000 0.988 275 L CA -0.568 54.303 54.840 0.052 0.000 0.824 275 L CB 2.368 44.550 42.059 0.206 0.000 1.263 275 L HN -0.099 nan 8.230 nan 0.000 0.410 276 V N 2.453 122.482 119.914 0.192 0.000 2.470 276 V HA 0.253 4.376 4.120 0.006 0.000 0.276 276 V C 0.988 177.351 176.094 0.449 0.000 1.040 276 V CA -0.326 62.147 62.300 0.288 0.000 1.008 276 V CB 0.962 32.965 31.823 0.301 0.000 0.990 276 V HN 0.866 nan 8.190 nan 0.000 0.477 277 G N 3.402 112.476 108.800 0.456 0.000 2.403 277 G HA2 0.449 4.412 3.960 0.006 0.000 0.259 277 G HA3 0.449 4.412 3.960 0.006 0.000 0.259 277 G C -0.160 174.972 174.900 0.386 0.000 1.244 277 G CA -0.058 45.366 45.100 0.540 0.000 0.849 277 G HN 0.808 nan 8.290 nan 0.000 0.532 278 S N 0.787 116.615 115.700 0.213 0.000 2.566 278 S HA 0.552 5.025 4.470 0.006 0.000 0.273 278 S C -1.071 173.608 174.600 0.131 0.000 1.157 278 S CA -0.686 57.608 58.200 0.157 0.000 0.938 278 S CB 0.723 63.815 63.200 -0.179 0.000 1.087 278 S HN 0.408 nan 8.310 nan 0.000 0.474 279 F N 3.052 123.056 119.950 0.090 0.000 2.881 279 F HA 0.290 4.822 4.527 0.008 0.000 0.343 279 F C 0.999 176.596 175.800 -0.339 0.000 1.233 279 F CA -0.649 57.357 58.000 0.010 0.000 1.262 279 F CB 0.855 39.742 39.000 -0.189 0.000 0.980 279 F HN 0.654 nan 8.300 nan 0.000 0.506 280 D N -1.908 118.365 120.400 -0.212 0.000 2.363 280 D HA 0.033 4.676 4.640 0.006 0.000 0.214 280 D C 0.882 176.926 176.300 -0.427 0.000 1.093 280 D CA 0.026 53.801 54.000 -0.375 0.000 0.837 280 D CB -0.406 40.191 40.800 -0.339 0.000 0.948 280 D HN 0.222 nan 8.370 nan 0.000 0.507 281 N N -0.829 117.664 118.700 -0.345 0.000 2.809 281 N HA -0.280 4.464 4.740 0.006 0.000 0.244 281 N C 0.742 176.038 175.510 -0.356 0.000 1.018 281 N CA 1.534 54.525 53.050 -0.098 0.000 0.917 281 N CB -1.133 37.467 38.487 0.187 0.000 1.130 281 N HN 0.676 nan 8.380 nan 0.000 0.591 282 I N -5.823 114.314 120.570 -0.721 0.000 3.873 282 I HA 0.261 4.434 4.170 0.006 0.000 0.284 282 I C -0.147 175.817 176.117 -0.255 0.000 1.186 282 I CA 0.184 61.276 61.300 -0.347 0.000 1.362 282 I CB 0.328 38.218 38.000 -0.183 0.000 1.432 282 I HN 0.038 nan 8.210 nan 0.000 0.454 283 Y N 1.204 121.476 120.300 -0.047 0.000 3.380 283 Y HA -0.201 4.354 4.550 0.008 0.000 0.211 283 Y C 1.694 177.694 175.900 0.168 0.000 1.394 283 Y CA -0.030 58.058 58.100 -0.019 0.000 1.479 283 Y CB -2.344 36.171 38.460 0.091 0.000 1.483 283 Y HN 0.436 nan 8.280 nan 0.000 0.566 284 A N -0.533 122.366 122.820 0.132 0.000 1.870 284 A HA -0.232 4.091 4.320 0.006 0.000 0.219 284 A C 1.130 178.683 177.584 -0.052 0.000 1.224 284 A CA 2.289 54.312 52.037 -0.024 0.000 0.650 284 A CB -0.648 18.272 19.000 -0.133 0.000 0.836 284 A HN 0.588 nan 8.150 nan 0.000 0.454 285 Y N -0.308 120.163 120.300 0.285 0.000 2.897 285 Y HA 0.490 5.043 4.550 0.005 0.000 0.372 285 Y C 0.998 176.974 175.900 0.127 0.000 1.034 285 Y CA 0.126 58.336 58.100 0.183 0.000 1.627 285 Y CB 0.109 38.655 38.460 0.144 0.000 1.474 285 Y HN 0.507 nan 8.280 nan 0.000 0.517 286 G N -1.151 107.803 108.800 0.256 0.000 2.619 286 G HA2 0.517 4.480 3.960 0.006 0.000 0.305 286 G HA3 0.517 4.480 3.960 0.006 0.000 0.305 286 G C -1.890 173.065 174.900 0.091 0.000 1.330 286 G CA -0.718 44.415 45.100 0.054 0.000 0.789 286 G HN -0.144 nan 8.290 nan 0.000 0.487 287 V N 1.532 121.443 119.914 -0.004 0.000 2.472 287 V HA 0.481 4.604 4.120 0.006 0.000 0.290 287 V C -2.130 173.887 176.094 -0.129 0.000 1.037 287 V CA -1.496 60.685 62.300 -0.197 0.000 0.908 287 V CB 1.871 33.367 31.823 -0.545 0.000 0.985 287 V HN 0.501 nan 8.190 nan 0.000 0.454 288 P HA 0.213 nan 4.420 nan 0.000 0.271 288 P C -2.161 174.848 177.300 -0.486 0.000 1.216 288 P CA -1.330 61.459 63.100 -0.518 0.000 0.776 288 P CB 0.354 31.889 31.700 -0.275 0.000 0.881 289 P HA -0.144 nan 4.420 nan 0.000 0.216 289 P C 1.267 178.681 177.300 0.190 0.000 1.150 289 P CA 1.751 64.784 63.100 -0.112 0.000 0.837 289 P CB -0.161 31.308 31.700 -0.386 0.000 0.786 290 S N -0.957 114.877 115.700 0.222 0.000 2.474 290 S HA -0.071 4.403 4.470 0.006 0.000 0.235 290 S C 1.900 176.550 174.600 0.082 0.000 0.997 290 S CA 1.082 59.493 58.200 0.352 0.000 0.949 290 S CB -0.725 62.643 63.200 0.280 0.000 0.766 290 S HN 0.149 nan 8.310 nan 0.000 0.517 291 A N 0.573 123.241 122.820 -0.254 0.000 1.970 291 A HA 0.045 4.368 4.320 0.006 0.000 0.216 291 A C 0.481 177.711 177.584 -0.590 0.000 1.170 291 A CA 0.001 51.702 52.037 -0.561 0.000 0.645 291 A CB -0.543 17.939 19.000 -0.864 0.000 0.816 291 A HN 0.570 nan 8.150 nan 0.000 0.447 292 W N 0.742 121.963 121.300 -0.131 0.000 2.257 292 W HA 0.202 4.860 4.660 -0.003 0.000 0.337 292 W C 1.434 177.830 176.519 -0.205 0.000 1.321 292 W CA 0.501 57.761 57.345 -0.142 0.000 1.267 292 W CB 0.404 29.894 29.460 0.050 0.000 1.187 292 W HN 0.285 nan 8.180 nan 0.000 0.565 293 T N -0.173 114.298 114.554 -0.139 0.000 3.001 293 T HA 0.521 4.874 4.350 0.006 0.000 0.251 293 T C 0.647 174.778 174.700 -0.948 0.000 1.040 293 T CA 0.344 62.239 62.100 -0.343 0.000 0.985 293 T CB 0.329 69.132 68.868 -0.108 0.000 1.011 293 T HN 0.655 nan 8.240 nan 0.000 0.509 294 G N 0.311 108.381 108.800 -1.218 0.000 2.428 294 G HA2 0.418 4.382 3.960 0.006 0.000 0.305 294 G HA3 0.418 4.382 3.960 0.006 0.000 0.305 294 G C -0.114 174.380 174.900 -0.676 0.000 1.260 294 G CA 0.009 44.068 45.100 -1.736 0.000 0.853 294 G HN -0.048 nan 8.290 nan 0.000 0.480 295 S N -0.707 114.889 115.700 -0.174 0.000 2.517 295 S HA 0.111 4.585 4.470 0.006 0.000 0.214 295 S C 2.254 176.880 174.600 0.042 0.000 0.991 295 S CA 0.705 58.990 58.200 0.142 0.000 0.906 295 S CB 0.544 63.956 63.200 0.354 0.000 0.789 295 S HN 0.403 nan 8.310 nan 0.000 0.513 296 V N 3.637 123.553 119.914 0.004 0.000 2.307 296 V HA -0.176 3.947 4.120 0.006 0.000 0.245 296 V C 2.341 178.463 176.094 0.046 0.000 1.045 296 V CA 2.081 64.408 62.300 0.046 0.000 1.024 296 V CB -0.650 31.208 31.823 0.057 0.000 0.651 296 V HN 0.547 nan 8.190 nan 0.000 0.449 297 D N -0.018 120.410 120.400 0.047 0.000 2.183 297 D HA -0.120 4.523 4.640 0.006 0.000 0.203 297 D C 1.952 178.262 176.300 0.017 0.000 0.969 297 D CA 1.040 55.091 54.000 0.084 0.000 0.842 297 D CB -0.451 40.464 40.800 0.191 0.000 0.957 297 D HN 0.449 nan 8.370 nan 0.000 0.484 298 I N 0.390 120.872 120.570 -0.146 0.000 2.142 298 I HA -0.236 3.937 4.170 0.006 0.000 0.240 298 I C 2.627 178.722 176.117 -0.036 0.000 1.078 298 I CA 0.885 62.019 61.300 -0.276 0.000 1.343 298 I CB -0.235 37.453 38.000 -0.521 0.000 1.046 298 I HN -0.054 nan 8.210 nan 0.000 0.405 299 L N 0.111 121.351 121.223 0.028 0.000 2.017 299 L HA -0.216 4.128 4.340 0.006 0.000 0.208 299 L C 2.520 179.489 176.870 0.166 0.000 1.073 299 L CA 1.383 56.308 54.840 0.141 0.000 0.745 299 L CB -0.463 41.686 42.059 0.150 0.000 0.894 299 L HN 0.265 nan 8.230 nan 0.000 0.432 300 L N -0.566 120.715 121.223 0.095 0.000 2.141 300 L HA -0.191 4.153 4.340 0.006 0.000 0.209 300 L C 2.534 179.430 176.870 0.044 0.000 1.094 300 L CA 0.885 55.760 54.840 0.058 0.000 0.763 300 L CB -0.419 41.667 42.059 0.046 0.000 0.908 300 L HN 0.271 nan 8.230 nan 0.000 0.437 301 E N -0.072 120.168 120.200 0.065 0.000 2.152 301 E HA -0.263 4.091 4.350 0.006 0.000 0.192 301 E C 2.062 178.709 176.600 0.079 0.000 0.983 301 E CA 1.058 57.495 56.400 0.061 0.000 0.818 301 E CB -0.325 29.424 29.700 0.082 0.000 0.758 301 E HN 0.409 nan 8.360 nan 0.000 0.467 302 Y N 1.118 121.421 120.300 0.005 0.000 2.081 302 Y HA -0.275 4.277 4.550 0.003 0.000 0.280 302 Y C 2.359 178.287 175.900 0.046 0.000 1.163 302 Y CA 2.596 60.721 58.100 0.043 0.000 1.135 302 Y CB -0.502 37.998 38.460 0.067 0.000 0.970 302 Y HN 0.043 nan 8.280 nan 0.000 0.498 303 R N 0.724 121.109 120.500 -0.192 0.000 2.066 303 R HA -0.120 4.223 4.340 0.006 0.000 0.232 303 R C 2.515 178.579 176.300 -0.393 0.000 1.131 303 R CA 2.131 57.932 56.100 -0.497 0.000 0.955 303 R CB -0.990 29.109 30.300 -0.335 0.000 0.851 303 R HN 0.512 nan 8.270 nan 0.000 0.432 304 S N -0.689 114.895 115.700 -0.193 0.000 2.371 304 S HA -0.131 4.343 4.470 0.006 0.000 0.224 304 S C 2.055 176.588 174.600 -0.113 0.000 1.029 304 S CA 1.033 59.150 58.200 -0.138 0.000 0.978 304 S CB -0.567 62.591 63.200 -0.070 0.000 0.833 304 S HN 0.499 nan 8.310 nan 0.000 0.466 305 S N 1.287 116.934 115.700 -0.088 0.000 2.414 305 S HA 0.060 4.534 4.470 0.006 0.000 0.227 305 S C 0.679 175.236 174.600 -0.073 0.000 1.022 305 S CA 0.758 58.926 58.200 -0.052 0.000 0.958 305 S CB -0.677 62.519 63.200 -0.007 0.000 0.797 305 S HN 0.621 nan 8.310 nan 0.000 0.493 306 E N 0.458 120.566 120.200 -0.155 0.000 3.181 306 E HA -0.122 4.231 4.350 0.006 0.000 0.293 306 E C -0.783 175.779 176.600 -0.064 0.000 0.936 306 E CA 0.563 56.882 56.400 -0.134 0.000 0.975 306 E CB -1.631 28.058 29.700 -0.018 0.000 1.496 306 E HN 0.594 nan 8.360 nan 0.000 0.429 307 N N -0.480 118.214 118.700 -0.010 0.000 2.494 307 N HA 0.335 5.078 4.740 0.006 0.000 0.270 307 N C -2.882 172.767 175.510 0.231 0.000 1.285 307 N CA -1.734 51.381 53.050 0.109 0.000 0.812 307 N CB 1.927 40.452 38.487 0.064 0.000 1.557 307 N HN -0.247 nan 8.380 nan 0.000 0.487 308 P HA 0.024 nan 4.420 nan 0.000 0.267 308 P C -0.437 176.942 177.300 0.131 0.000 1.201 308 P CA -0.084 63.129 63.100 0.188 0.000 0.775 308 P CB 0.618 32.385 31.700 0.111 0.000 0.854 309 V N 4.222 124.194 119.914 0.097 0.000 2.481 309 V HA 0.326 4.450 4.120 0.006 0.000 0.286 309 V C 0.682 176.783 176.094 0.013 0.000 1.042 309 V CA -0.361 61.968 62.300 0.050 0.000 0.928 309 V CB 0.978 32.802 31.823 0.001 0.000 0.986 309 V HN 0.435 nan 8.190 nan 0.000 0.462 310 R N 4.009 124.465 120.500 -0.074 0.000 2.338 310 R HA 0.673 5.016 4.340 0.006 0.000 0.317 310 R C -1.619 174.622 176.300 -0.098 0.000 0.968 310 R CA -0.392 55.464 56.100 -0.407 0.000 0.849 310 R CB 1.394 31.001 30.300 -1.154 0.000 1.128 310 R HN 0.647 nan 8.270 nan 0.000 0.448 311 Y N -0.351 120.157 120.300 0.347 0.000 2.615 311 Y HA 0.633 5.188 4.550 0.008 0.000 0.341 311 Y C 0.613 176.603 175.900 0.150 0.000 1.089 311 Y CA -0.993 57.233 58.100 0.210 0.000 1.049 311 Y CB 2.417 40.962 38.460 0.142 0.000 1.296 311 Y HN 0.675 nan 8.280 nan 0.000 0.470 312 G N 0.214 109.118 108.800 0.173 0.000 2.568 312 G HA2 0.724 4.687 3.960 0.006 0.000 0.313 312 G HA3 0.724 4.687 3.960 0.006 0.000 0.313 312 G C -1.448 173.013 174.900 -0.733 0.000 1.227 312 G CA -0.601 44.333 45.100 -0.277 0.000 0.979 312 G HN 0.524 nan 8.290 nan 0.000 0.486 313 Q N -1.629 117.435 119.800 -1.227 0.000 3.146 313 Q HA 0.259 4.603 4.340 0.006 0.000 0.318 313 Q C 1.741 177.016 176.000 -1.210 0.000 0.992 313 Q CA -0.436 54.620 55.803 -1.245 0.000 0.809 313 Q CB 1.475 29.592 28.738 -1.036 0.000 1.490 313 Q HN 0.750 nan 8.270 nan 0.000 0.493 314 C N -0.961 118.206 119.300 -0.221 0.000 2.425 314 C HA -0.070 4.393 4.460 0.006 0.000 0.277 314 C C 2.106 177.084 174.990 -0.021 0.000 1.280 314 C CA 0.972 60.075 59.018 0.142 0.000 1.744 314 C CB -1.553 26.642 27.740 0.758 0.000 1.989 314 C HN 0.960 nan 8.230 nan 0.000 0.491 315 W N 1.837 123.103 121.300 -0.056 0.000 2.467 315 W HA 0.239 4.901 4.660 0.003 0.000 0.275 315 W C 1.734 177.990 176.519 -0.440 0.000 1.239 315 W CA 0.935 58.156 57.345 -0.207 0.000 1.266 315 W CB -0.987 28.348 29.460 -0.209 0.000 1.112 315 W HN 0.145 nan 8.180 nan 0.000 0.576 316 V N 1.319 120.574 119.914 -1.098 0.000 2.323 316 V HA -0.268 3.855 4.120 0.006 0.000 0.244 316 V C 2.320 178.245 176.094 -0.281 0.000 1.041 316 V CA 1.610 63.467 62.300 -0.739 0.000 1.025 316 V CB -1.195 30.228 31.823 -0.667 0.000 0.656 316 V HN 0.047 nan 8.190 nan 0.000 0.451 317 F N 1.466 121.275 119.950 -0.235 0.000 2.095 317 F HA -0.171 4.358 4.527 0.004 0.000 0.298 317 F C 2.562 178.341 175.800 -0.036 0.000 1.104 317 F CA 1.176 59.116 58.000 -0.099 0.000 1.232 317 F CB -1.680 37.299 39.000 -0.036 0.000 0.987 317 F HN 0.134 nan 8.300 nan 0.000 0.475 318 A N 0.311 123.214 122.820 0.138 0.000 1.933 318 A HA -0.018 4.306 4.320 0.006 0.000 0.218 318 A C 2.622 180.216 177.584 0.017 0.000 1.175 318 A CA 1.736 53.841 52.037 0.113 0.000 0.628 318 A CB -1.550 17.489 19.000 0.065 0.000 0.814 318 A HN 0.408 nan 8.150 nan 0.000 0.444 319 G N -0.380 108.277 108.800 -0.238 0.000 2.459 319 G HA2 -0.164 3.800 3.960 0.006 0.000 0.217 319 G HA3 -0.164 3.800 3.960 0.006 0.000 0.217 319 G C 1.529 176.572 174.900 0.239 0.000 1.183 319 G CA 1.342 46.249 45.100 -0.322 0.000 0.776 319 G HN 0.318 nan 8.290 nan 0.000 0.552 320 V N 0.237 120.304 119.914 0.255 0.000 2.343 320 V HA -0.128 3.996 4.120 0.006 0.000 0.247 320 V C 2.366 178.624 176.094 0.273 0.000 1.051 320 V CA 1.769 64.236 62.300 0.279 0.000 1.036 320 V CB -0.566 31.363 31.823 0.177 0.000 0.654 320 V HN 0.350 nan 8.190 nan 0.000 0.451 321 F N 1.453 121.450 119.950 0.079 0.000 2.259 321 F HA -0.089 4.441 4.527 0.005 0.000 0.298 321 F C 2.087 177.958 175.800 0.118 0.000 1.088 321 F CA 1.675 59.721 58.000 0.077 0.000 1.358 321 F CB -0.523 38.494 39.000 0.028 0.000 1.040 321 F HN 0.202 nan 8.300 nan 0.000 0.505 322 N N -0.735 117.957 118.700 -0.012 0.000 2.142 322 N HA -0.150 4.594 4.740 0.006 0.000 0.186 322 N C 1.760 177.111 175.510 -0.265 0.000 1.023 322 N CA 1.921 54.819 53.050 -0.254 0.000 0.852 322 N CB -0.304 37.944 38.487 -0.398 0.000 0.998 322 N HN 0.177 nan 8.380 nan 0.000 0.424 323 T N -0.001 114.523 114.554 -0.050 0.000 2.652 323 T HA -0.173 4.180 4.350 0.006 0.000 0.267 323 T C 1.480 176.192 174.700 0.020 0.000 1.039 323 T CA 1.390 63.509 62.100 0.032 0.000 1.153 323 T CB -0.648 68.344 68.868 0.206 0.000 0.863 323 T HN 0.291 nan 8.240 nan 0.000 0.428 324 F N 1.742 121.655 119.950 -0.063 0.000 2.043 324 F HA -0.186 4.343 4.527 0.003 0.000 0.297 324 F C 2.002 177.720 175.800 -0.136 0.000 1.118 324 F CA 1.489 59.456 58.000 -0.056 0.000 1.202 324 F CB -0.593 38.405 39.000 -0.003 0.000 0.965 324 F HN 0.069 nan 8.300 nan 0.000 0.482 325 L N -0.162 120.919 121.223 -0.237 0.000 2.017 325 L HA -0.217 4.126 4.340 0.006 0.000 0.208 325 L C 2.685 179.427 176.870 -0.215 0.000 1.073 325 L CA 1.697 56.344 54.840 -0.321 0.000 0.745 325 L CB -0.734 41.107 42.059 -0.362 0.000 0.894 325 L HN 0.067 nan 8.230 nan 0.000 0.432 326 R N -1.075 119.316 120.500 -0.182 0.000 2.092 326 R HA -0.152 4.191 4.340 0.006 0.000 0.231 326 R C 2.462 178.712 176.300 -0.083 0.000 1.119 326 R CA 1.437 57.470 56.100 -0.113 0.000 0.970 326 R CB -0.762 29.448 30.300 -0.149 0.000 0.864 326 R HN 0.434 nan 8.270 nan 0.000 0.440 327 C N 0.761 119.983 119.300 -0.130 0.000 2.422 327 C HA -0.022 4.442 4.460 0.006 0.000 0.279 327 C C 2.236 177.275 174.990 0.083 0.000 1.305 327 C CA 0.715 59.706 59.018 -0.045 0.000 1.757 327 C CB -0.803 26.909 27.740 -0.048 0.000 1.962 327 C HN 0.426 nan 8.230 nan 0.000 0.499 328 L N -0.090 121.118 121.223 -0.026 0.000 2.509 328 L HA 0.247 4.591 4.340 0.006 0.000 0.222 328 L C 1.939 178.985 176.870 0.293 0.000 1.123 328 L CA 1.070 55.957 54.840 0.078 0.000 0.856 328 L CB -0.417 41.623 42.059 -0.033 0.000 0.985 328 L HN 0.547 nan 8.230 nan 0.000 0.456 329 G N 0.713 109.643 108.800 0.216 0.000 2.148 329 G HA2 -0.222 3.742 3.960 0.006 0.000 0.203 329 G HA3 -0.222 3.742 3.960 0.006 0.000 0.203 329 G C 0.132 175.133 174.900 0.170 0.000 0.993 329 G CA -0.523 44.748 45.100 0.285 0.000 0.661 329 G HN 0.209 nan 8.290 nan 0.000 0.518 330 I N 2.171 122.724 120.570 -0.028 0.000 2.312 330 I HA 0.253 4.426 4.170 0.006 0.000 0.291 330 I C -1.931 174.162 176.117 -0.040 0.000 1.031 330 I CA -2.235 58.977 61.300 -0.146 0.000 1.293 330 I CB 1.285 39.098 38.000 -0.311 0.000 1.403 330 I HN -0.127 nan 8.210 nan 0.000 0.484 331 P HA 0.117 nan 4.420 nan 0.000 0.264 331 P C -0.852 176.545 177.300 0.162 0.000 1.193 331 P CA 0.065 63.194 63.100 0.048 0.000 0.763 331 P CB 0.709 32.357 31.700 -0.087 0.000 0.810 332 A N 3.421 126.342 122.820 0.168 0.000 2.572 332 A HA 0.816 5.139 4.320 0.006 0.000 0.295 332 A C -0.800 176.763 177.584 -0.034 0.000 1.072 332 A CA -0.720 51.389 52.037 0.120 0.000 0.691 332 A CB 1.737 20.698 19.000 -0.065 0.000 1.291 332 A HN 0.639 nan 8.150 nan 0.000 0.404 333 R N 0.787 121.161 120.500 -0.209 0.000 2.799 333 R HA 0.815 5.158 4.340 0.006 0.000 0.270 333 R C -1.680 174.510 176.300 -0.182 0.000 1.010 333 R CA -0.792 55.165 56.100 -0.237 0.000 0.916 333 R CB 1.239 31.256 30.300 -0.472 0.000 1.228 333 R HN 0.502 nan 8.270 nan 0.000 0.469 334 I N 1.670 122.187 120.570 -0.089 0.000 2.392 334 I HA 0.351 4.524 4.170 0.006 0.000 0.295 334 I C -0.395 175.632 176.117 -0.150 0.000 0.985 334 I CA -1.273 59.976 61.300 -0.085 0.000 1.221 334 I CB 2.046 40.041 38.000 -0.008 0.000 1.366 334 I HN 0.272 nan 8.210 nan 0.000 0.467 335 V N 4.803 124.537 119.914 -0.299 0.000 2.581 335 V HA 0.431 4.555 4.120 0.006 0.000 0.303 335 V C -0.090 175.665 176.094 -0.565 0.000 1.041 335 V CA -0.260 61.757 62.300 -0.473 0.000 0.907 335 V CB 2.271 33.695 31.823 -0.665 0.000 0.994 335 V HN 0.739 nan 8.190 nan 0.000 0.442 336 T N 4.110 118.380 114.554 -0.474 0.000 2.786 336 T HA 0.342 4.695 4.350 0.006 0.000 0.283 336 T C -0.442 173.888 174.700 -0.616 0.000 0.992 336 T CA -0.422 61.382 62.100 -0.493 0.000 0.954 336 T CB 0.869 69.550 68.868 -0.312 0.000 0.934 336 T HN 0.645 nan 8.240 nan 0.000 0.440 337 N N 2.010 120.313 118.700 -0.662 0.000 2.421 337 N HA 0.336 5.080 4.740 0.006 0.000 0.285 337 N C -1.622 173.714 175.510 -0.290 0.000 1.027 337 N CA -0.477 52.313 53.050 -0.434 0.000 0.918 337 N CB 0.485 38.769 38.487 -0.339 0.000 1.152 337 N HN 0.448 nan 8.380 nan 0.000 0.485 338 Y N 3.649 123.898 120.300 -0.086 0.000 2.328 338 Y HA 0.413 4.966 4.550 0.006 0.000 0.337 338 Y C -0.434 175.413 175.900 -0.088 0.000 1.008 338 Y CA -0.341 57.671 58.100 -0.147 0.000 1.129 338 Y CB 0.444 38.720 38.460 -0.306 0.000 1.185 338 Y HN 0.396 nan 8.280 nan 0.000 0.476 339 F N 1.294 121.370 119.950 0.211 0.000 2.329 339 F HA -0.212 4.319 4.527 0.006 0.000 0.418 339 F C 0.055 175.938 175.800 0.137 0.000 1.164 339 F CA -0.084 57.993 58.000 0.128 0.000 1.372 339 F CB -1.516 37.425 39.000 -0.099 0.000 2.058 339 F HN 0.357 nan 8.300 nan 0.000 0.769 340 S N 1.525 117.443 115.700 0.365 0.000 2.456 340 S HA 0.844 5.318 4.470 0.006 0.000 0.316 340 S C 0.004 174.688 174.600 0.139 0.000 1.089 340 S CA 0.044 58.379 58.200 0.225 0.000 1.101 340 S CB 1.179 64.502 63.200 0.206 0.000 0.995 340 S HN 0.873 nan 8.310 nan 0.000 0.468 341 A N 4.493 127.376 122.820 0.106 0.000 2.666 341 A HA 0.418 4.741 4.320 0.006 0.000 0.312 341 A C -0.157 177.420 177.584 -0.011 0.000 1.471 341 A CA -0.134 51.942 52.037 0.065 0.000 1.134 341 A CB -0.438 18.603 19.000 0.067 0.000 1.129 341 A HN 0.929 nan 8.150 nan 0.000 0.539 342 H N 1.216 120.088 119.070 -0.330 0.000 2.500 342 H HA 0.308 4.868 4.556 0.006 0.000 0.351 342 H C 0.336 175.562 175.328 -0.170 0.000 1.281 342 H CA -0.002 55.779 56.048 -0.445 0.000 1.368 342 H CB 0.725 29.764 29.762 -1.205 0.000 1.616 342 H HN 0.744 nan 8.280 nan 0.000 0.591 343 D N 0.087 120.252 120.400 -0.392 0.000 2.911 343 D HA -0.240 4.403 4.640 0.006 0.000 0.227 343 D C 0.600 176.870 176.300 -0.051 0.000 1.164 343 D CA 1.198 55.106 54.000 -0.153 0.000 0.782 343 D CB -1.505 39.269 40.800 -0.044 0.000 1.094 343 D HN 0.753 nan 8.370 nan 0.000 0.425 344 N N 0.355 119.043 118.700 -0.020 0.000 2.354 344 N HA -0.087 4.656 4.740 0.006 0.000 0.179 344 N C 0.670 176.216 175.510 0.060 0.000 1.021 344 N CA 0.884 53.950 53.050 0.027 0.000 0.887 344 N CB 0.126 38.632 38.487 0.031 0.000 0.974 344 N HN 0.003 nan 8.380 nan 0.000 0.437 345 D N -0.859 119.637 120.400 0.160 0.000 2.837 345 D HA -0.265 4.378 4.640 0.006 0.000 0.230 345 D C 0.461 176.794 176.300 0.055 0.000 1.152 345 D CA 1.026 55.182 54.000 0.260 0.000 0.736 345 D CB -1.453 39.428 40.800 0.135 0.000 1.084 345 D HN 0.692 nan 8.370 nan 0.000 0.429 346 A N -1.444 121.261 122.820 -0.190 0.000 3.153 346 A HA -0.355 3.968 4.320 0.006 0.000 0.265 346 A C 0.554 178.046 177.584 -0.154 0.000 1.212 346 A CA 1.753 53.543 52.037 -0.411 0.000 1.018 346 A CB -2.316 16.225 19.000 -0.766 0.000 1.130 346 A HN 0.723 nan 8.150 nan 0.000 0.873 347 N N -0.815 117.848 118.700 -0.062 0.000 2.518 347 N HA 0.603 5.347 4.740 0.006 0.000 0.283 347 N C 0.484 175.993 175.510 -0.002 0.000 1.119 347 N CA -0.348 52.685 53.050 -0.028 0.000 0.983 347 N CB 0.438 38.917 38.487 -0.014 0.000 1.139 347 N HN 0.258 nan 8.380 nan 0.000 0.465 348 L N 1.359 122.590 121.223 0.013 0.000 2.818 348 L HA 0.275 4.619 4.340 0.006 0.000 0.243 348 L C -0.180 176.697 176.870 0.011 0.000 1.185 348 L CA 0.079 54.940 54.840 0.035 0.000 0.988 348 L CB -0.092 42.015 42.059 0.079 0.000 1.292 348 L HN 0.538 nan 8.230 nan 0.000 0.519 349 Q N 1.152 120.946 119.800 -0.011 0.000 2.321 349 Q HA 0.524 4.868 4.340 0.006 0.000 0.270 349 Q C -0.956 175.009 176.000 -0.057 0.000 1.032 349 Q CA -0.219 55.561 55.803 -0.039 0.000 0.784 349 Q CB 3.269 31.979 28.738 -0.047 0.000 1.264 349 Q HN 0.094 nan 8.270 nan 0.000 0.448 350 M N 2.257 121.807 119.600 -0.084 0.000 2.364 350 M HA 0.414 4.897 4.480 0.006 0.000 0.334 350 M C -1.549 174.625 176.300 -0.211 0.000 1.107 350 M CA -0.447 54.790 55.300 -0.105 0.000 0.988 350 M CB 1.340 33.900 32.600 -0.066 0.000 1.673 350 M HN 0.464 nan 8.290 nan 0.000 0.441 351 D N 4.768 125.015 120.400 -0.255 0.000 2.185 351 D HA 0.505 5.149 4.640 0.006 0.000 0.247 351 D C -1.082 174.918 176.300 -0.500 0.000 1.027 351 D CA 0.007 53.714 54.000 -0.489 0.000 0.861 351 D CB 1.861 42.200 40.800 -0.768 0.000 1.202 351 D HN 0.465 nan 8.370 nan 0.000 0.453 352 I N 2.113 122.311 120.570 -0.620 0.000 2.389 352 I HA 0.276 4.449 4.170 0.006 0.000 0.288 352 I C -0.511 175.353 176.117 -0.422 0.000 0.999 352 I CA -0.471 60.582 61.300 -0.412 0.000 1.129 352 I CB 0.862 38.658 38.000 -0.340 0.000 1.288 352 I HN 0.125 nan 8.210 nan 0.000 0.444 353 F N 6.123 126.022 119.950 -0.085 0.000 2.399 353 F HA 0.620 5.151 4.527 0.006 0.000 0.328 353 F C -0.214 175.557 175.800 -0.048 0.000 1.084 353 F CA -0.655 57.319 58.000 -0.044 0.000 1.053 353 F CB 1.042 40.022 39.000 -0.033 0.000 1.209 353 F HN 0.090 nan 8.300 nan 0.000 0.502 354 L N 1.701 123.033 121.223 0.182 0.000 2.370 354 L HA 0.403 4.746 4.340 0.006 0.000 0.266 354 L C -0.078 176.829 176.870 0.061 0.000 1.002 354 L CA -1.236 53.647 54.840 0.073 0.000 0.818 354 L CB 1.754 43.856 42.059 0.071 0.000 1.325 354 L HN 0.553 nan 8.230 nan 0.000 0.418 355 E N 1.346 121.540 120.200 -0.010 0.000 2.369 355 E HA 0.126 4.480 4.350 0.006 0.000 0.255 355 E C 0.256 176.852 176.600 -0.006 0.000 1.172 355 E CA -0.383 56.004 56.400 -0.023 0.000 0.932 355 E CB 0.892 30.544 29.700 -0.081 0.000 1.040 355 E HN 0.514 nan 8.360 nan 0.000 0.454 356 E N 0.664 120.862 120.200 -0.003 0.000 2.160 356 E HA -0.219 4.135 4.350 0.006 0.000 0.195 356 E C 1.176 177.788 176.600 0.020 0.000 0.991 356 E CA 1.574 57.981 56.400 0.012 0.000 0.810 356 E CB -0.005 29.699 29.700 0.006 0.000 0.742 356 E HN 0.465 nan 8.360 nan 0.000 0.466 357 D N -1.417 118.984 120.400 0.002 0.000 2.347 357 D HA -0.015 4.629 4.640 0.006 0.000 0.215 357 D C 1.324 177.703 176.300 0.133 0.000 0.976 357 D CA 0.961 54.996 54.000 0.059 0.000 0.884 357 D CB 0.264 41.102 40.800 0.062 0.000 0.915 357 D HN 0.228 nan 8.370 nan 0.000 0.526 358 G N -0.545 108.278 108.800 0.039 0.000 2.255 358 G HA2 -0.254 3.710 3.960 0.006 0.000 0.196 358 G HA3 -0.254 3.710 3.960 0.006 0.000 0.196 358 G C 0.108 175.013 174.900 0.009 0.000 0.998 358 G CA -0.233 44.939 45.100 0.120 0.000 0.656 358 G HN 0.444 nan 8.290 nan 0.000 0.490 359 N N 0.249 118.729 118.700 -0.367 0.000 2.416 359 N HA 0.377 5.120 4.740 0.006 0.000 0.246 359 N C 0.710 176.100 175.510 -0.200 0.000 1.260 359 N CA 0.245 53.027 53.050 -0.447 0.000 0.897 359 N CB 0.879 39.026 38.487 -0.568 0.000 1.110 359 N HN 0.199 nan 8.380 nan 0.000 0.439 360 V N 2.742 122.534 119.914 -0.203 0.000 2.572 360 V HA 0.037 4.160 4.120 0.006 0.000 0.291 360 V C 0.539 176.543 176.094 -0.150 0.000 1.039 360 V CA -0.390 61.767 62.300 -0.238 0.000 1.055 360 V CB 0.672 32.194 31.823 -0.502 0.000 0.969 360 V HN 0.648 nan 8.190 nan 0.000 0.482 361 N N 3.248 121.903 118.700 -0.075 0.000 2.406 361 N HA 0.082 4.826 4.740 0.006 0.000 0.251 361 N C 0.952 176.452 175.510 -0.018 0.000 1.069 361 N CA 0.275 53.306 53.050 -0.031 0.000 0.947 361 N CB 1.571 40.074 38.487 0.025 0.000 1.111 361 N HN 0.746 nan 8.380 nan 0.000 0.497 362 S N 2.929 118.612 115.700 -0.028 0.000 2.524 362 S HA -0.010 4.464 4.470 0.006 0.000 0.216 362 S C 1.580 176.180 174.600 -0.000 0.000 0.987 362 S CA 0.085 58.282 58.200 -0.005 0.000 0.909 362 S CB 0.200 63.401 63.200 0.002 0.000 0.781 362 S HN 0.647 nan 8.310 nan 0.000 0.521 363 K N 0.605 120.994 120.400 -0.020 0.000 2.097 363 K HA 0.071 4.394 4.320 0.006 0.000 0.205 363 K C 1.494 178.067 176.600 -0.044 0.000 1.050 363 K CA 1.013 57.281 56.287 -0.032 0.000 0.938 363 K CB -0.110 32.360 32.500 -0.049 0.000 0.718 363 K HN 0.244 nan 8.250 nan 0.000 0.442 364 L N 0.496 121.687 121.223 -0.054 0.000 2.357 364 L HA 0.098 4.442 4.340 0.006 0.000 0.211 364 L C 0.397 177.339 176.870 0.121 0.000 1.075 364 L CA 1.055 55.825 54.840 -0.116 0.000 0.830 364 L CB -0.070 41.755 42.059 -0.391 0.000 0.996 364 L HN -0.055 nan 8.230 nan 0.000 0.467 365 T N 1.497 116.162 114.554 0.185 0.000 2.848 365 T HA 0.082 4.435 4.350 0.006 0.000 0.283 365 T C 1.211 175.982 174.700 0.118 0.000 0.919 365 T CA 0.038 62.261 62.100 0.206 0.000 1.071 365 T CB 0.264 69.191 68.868 0.098 0.000 0.912 365 T HN 0.035 nan 8.240 nan 0.000 0.570 366 K N 1.311 121.779 120.400 0.113 0.000 2.412 366 K HA 0.139 4.462 4.320 0.006 0.000 0.202 366 K C -0.102 176.526 176.600 0.047 0.000 1.102 366 K CA -0.014 56.309 56.287 0.061 0.000 1.027 366 K CB 0.846 33.370 32.500 0.041 0.000 0.931 366 K HN 0.449 nan 8.250 nan 0.000 0.557 367 D N 1.641 122.075 120.400 0.055 0.000 2.225 367 D HA 0.198 4.841 4.640 0.006 0.000 0.248 367 D C -0.351 175.972 176.300 0.040 0.000 1.096 367 D CA 0.243 54.267 54.000 0.040 0.000 0.863 367 D CB 1.598 42.415 40.800 0.029 0.000 1.156 367 D HN -0.166 nan 8.370 nan 0.000 0.450 368 S N 0.576 116.306 115.700 0.050 0.000 2.568 368 S HA 0.484 4.957 4.470 0.006 0.000 0.302 368 S C -0.066 174.613 174.600 0.131 0.000 1.082 368 S CA -0.831 57.396 58.200 0.044 0.000 1.009 368 S CB 2.048 65.249 63.200 0.001 0.000 1.069 368 S HN 0.148 nan 8.310 nan 0.000 0.500 369 V N 2.382 122.377 119.914 0.135 0.000 2.439 369 V HA 0.260 4.384 4.120 0.006 0.000 0.282 369 V C -0.742 175.581 176.094 0.383 0.000 1.039 369 V CA -0.712 61.750 62.300 0.270 0.000 0.913 369 V CB 0.419 32.394 31.823 0.253 0.000 0.983 369 V HN 0.816 nan 8.190 nan 0.000 0.460 370 W N 3.769 125.126 121.300 0.095 0.000 2.251 370 W HA 0.240 4.903 4.660 0.005 0.000 0.327 370 W C 1.483 178.123 176.519 0.202 0.000 1.361 370 W CA -0.557 56.811 57.345 0.039 0.000 1.234 370 W CB -0.740 28.672 29.460 -0.080 0.000 1.212 370 W HN 0.629 nan 8.180 nan 0.000 0.557 371 N N 1.030 119.956 118.700 0.376 0.000 2.104 371 N HA -0.178 4.566 4.740 0.006 0.000 0.190 371 N C -0.400 175.345 175.510 0.392 0.000 1.024 371 N CA 1.542 54.844 53.050 0.421 0.000 0.853 371 N CB -0.127 38.605 38.487 0.408 0.000 1.008 371 N HN 0.489 nan 8.380 nan 0.000 0.424 372 Y N -2.574 117.927 120.300 0.335 0.000 2.625 372 Y HA 0.629 5.182 4.550 0.005 0.000 0.338 372 Y C -1.200 174.984 175.900 0.473 0.000 1.123 372 Y CA -1.500 56.682 58.100 0.137 0.000 1.046 372 Y CB 0.924 39.271 38.460 -0.187 0.000 1.299 372 Y HN -0.112 nan 8.280 nan 0.000 0.464 373 H N 0.269 119.447 119.070 0.181 0.000 2.954 373 H HA 0.700 5.259 4.556 0.006 0.000 0.361 373 H C -1.844 173.538 175.328 0.090 0.000 1.122 373 H CA -1.249 54.917 56.048 0.197 0.000 1.217 373 H CB 1.794 31.491 29.762 -0.108 0.000 1.776 373 H HN 1.122 nan 8.280 nan 0.000 0.533 374 C N 4.888 124.087 119.300 -0.168 0.000 2.341 374 C HA 0.669 5.132 4.460 0.006 0.000 0.338 374 C C -0.596 174.167 174.990 -0.378 0.000 1.257 374 C CA -0.389 58.458 59.018 -0.285 0.000 1.883 374 C CB -1.295 26.476 27.740 0.052 0.000 2.334 374 C HN 0.851 nan 8.230 nan 0.000 0.524 375 W N 1.931 123.046 121.300 -0.307 0.000 3.179 375 W HA 0.696 5.359 4.660 0.005 0.000 0.372 375 W C -1.248 175.249 176.519 -0.036 0.000 1.137 375 W CA -0.834 56.411 57.345 -0.167 0.000 1.100 375 W CB 0.107 29.467 29.460 -0.167 0.000 1.503 375 W HN 0.451 nan 8.180 nan 0.000 0.601 376 N N 0.221 119.168 118.700 0.412 0.000 2.404 376 N HA 0.504 5.247 4.740 0.006 0.000 0.297 376 N C -1.438 174.278 175.510 0.344 0.000 1.163 376 N CA -0.965 52.256 53.050 0.285 0.000 0.864 376 N CB 1.939 40.655 38.487 0.382 0.000 1.247 376 N HN 0.422 nan 8.380 nan 0.000 0.510 377 E N 0.044 120.338 120.200 0.157 0.000 2.266 377 E HA 0.749 5.102 4.350 0.006 0.000 0.268 377 E C -1.371 175.425 176.600 0.327 0.000 0.879 377 E CA -1.107 55.419 56.400 0.211 0.000 0.762 377 E CB 2.186 31.848 29.700 -0.063 0.000 1.199 377 E HN 0.554 nan 8.360 nan 0.000 0.422 378 A N 2.864 125.967 122.820 0.472 0.000 2.398 378 A HA 0.337 4.661 4.320 0.006 0.000 0.301 378 A C -1.594 176.186 177.584 0.327 0.000 1.041 378 A CA -0.666 51.594 52.037 0.372 0.000 0.711 378 A CB 1.026 20.126 19.000 0.168 0.000 1.240 378 A HN 0.704 nan 8.150 nan 0.000 0.420 379 W N 5.823 127.059 121.300 -0.108 0.000 2.311 379 W HA 0.580 5.244 4.660 0.006 0.000 0.310 379 W C -0.765 175.597 176.519 -0.262 0.000 1.274 379 W CA 0.076 57.154 57.345 -0.445 0.000 1.215 379 W CB 1.047 30.011 29.460 -0.827 0.000 1.227 379 W HN 0.855 nan 8.180 nan 0.000 0.523 380 M N 4.133 123.349 119.600 -0.640 0.000 2.755 380 M HA 0.227 4.710 4.480 0.006 0.000 0.276 380 M C -0.732 175.303 176.300 -0.441 0.000 1.129 380 M CA -0.619 54.441 55.300 -0.399 0.000 0.832 380 M CB 1.355 33.846 32.600 -0.182 0.000 1.700 380 M HN 0.257 nan 8.290 nan 0.000 0.518 381 T N 0.072 114.465 114.554 -0.267 0.000 2.748 381 T HA 0.527 4.881 4.350 0.006 0.000 0.304 381 T C -0.035 174.582 174.700 -0.138 0.000 1.041 381 T CA -0.541 61.436 62.100 -0.205 0.000 1.033 381 T CB 0.541 69.346 68.868 -0.106 0.000 0.995 381 T HN 0.714 nan 8.240 nan 0.000 0.536 382 R N 2.049 122.484 120.500 -0.109 0.000 2.547 382 R HA 0.267 4.611 4.340 0.006 0.000 0.280 382 R C -2.255 174.007 176.300 -0.064 0.000 1.630 382 R CA -2.018 54.041 56.100 -0.067 0.000 1.470 382 R CB 1.315 31.579 30.300 -0.059 0.000 1.178 382 R HN 0.569 nan 8.270 nan 0.000 0.591 383 P HA -0.078 nan 4.420 nan 0.000 0.233 383 P C 0.494 177.767 177.300 -0.044 0.000 1.167 383 P CA 0.729 63.805 63.100 -0.040 0.000 0.770 383 P CB 0.347 32.037 31.700 -0.017 0.000 0.837 384 D N -0.487 119.886 120.400 -0.045 0.000 2.371 384 D HA -0.049 4.594 4.640 0.006 0.000 0.221 384 D C 0.735 176.960 176.300 -0.124 0.000 0.986 384 D CA 0.517 54.480 54.000 -0.061 0.000 0.899 384 D CB -0.314 40.460 40.800 -0.043 0.000 0.902 384 D HN 0.224 nan 8.370 nan 0.000 0.530 385 L N -0.502 120.622 121.223 -0.165 0.000 2.279 385 L HA 0.478 4.821 4.340 0.006 0.000 0.262 385 L C -2.303 174.433 176.870 -0.223 0.000 1.019 385 L CA -2.546 52.097 54.840 -0.329 0.000 0.823 385 L CB 1.288 43.099 42.059 -0.414 0.000 1.358 385 L HN -0.354 nan 8.230 nan 0.000 0.432 386 P HA -0.051 nan 4.420 nan 0.000 0.269 386 P C -0.417 176.812 177.300 -0.118 0.000 1.211 386 P CA -0.203 62.825 63.100 -0.119 0.000 0.781 386 P CB 0.506 32.185 31.700 -0.035 0.000 0.877 387 V N 1.654 121.471 119.914 -0.161 0.000 2.872 387 V HA 0.312 4.436 4.120 0.006 0.000 0.307 387 V C 1.357 177.208 176.094 -0.406 0.000 1.072 387 V CA 1.773 63.947 62.300 -0.210 0.000 1.148 387 V CB -0.155 31.575 31.823 -0.155 0.000 0.954 387 V HN 0.972 nan 8.190 nan 0.000 0.490 388 G N 4.487 113.047 108.800 -0.400 0.000 2.179 388 G HA2 -0.240 3.724 3.960 0.006 0.000 0.220 388 G HA3 -0.240 3.724 3.960 0.006 0.000 0.220 388 G C 0.088 174.618 174.900 -0.616 0.000 0.990 388 G CA 0.407 45.183 45.100 -0.541 0.000 0.646 388 G HN 0.808 nan 8.290 nan 0.000 0.517 389 F N 2.051 121.878 119.950 -0.206 0.000 2.653 389 F HA 0.492 5.023 4.527 0.005 0.000 0.304 389 F C 1.868 177.538 175.800 -0.216 0.000 1.092 389 F CA -0.322 57.558 58.000 -0.200 0.000 1.279 389 F CB 0.343 39.207 39.000 -0.225 0.000 1.044 389 F HN 0.328 nan 8.300 nan 0.000 0.564 390 G N -0.566 108.149 108.800 -0.142 0.000 2.535 390 G HA2 0.505 4.468 3.960 0.006 0.000 0.282 390 G HA3 0.505 4.468 3.960 0.006 0.000 0.282 390 G C 0.560 175.164 174.900 -0.492 0.000 1.350 390 G CA 0.242 45.161 45.100 -0.301 0.000 1.039 390 G HN 0.589 nan 8.290 nan 0.000 0.509 391 G N -1.658 106.548 108.800 -0.990 0.000 2.516 391 G HA2 -0.156 3.808 3.960 0.006 0.000 0.220 391 G HA3 -0.156 3.808 3.960 0.006 0.000 0.220 391 G C -0.354 173.942 174.900 -1.007 0.000 1.165 391 G CA -0.220 43.865 45.100 -1.691 0.000 1.013 391 G HN 0.755 nan 8.290 nan 0.000 0.590 392 W N 1.845 122.986 121.300 -0.264 0.000 2.218 392 W HA 0.613 5.276 4.660 0.005 0.000 0.326 392 W C 0.365 176.855 176.519 -0.048 0.000 1.276 392 W CA -0.277 57.066 57.345 -0.004 0.000 1.210 392 W CB 0.967 30.485 29.460 0.096 0.000 1.143 392 W HN 0.350 nan 8.180 nan 0.000 0.563 393 Q N 2.536 122.522 119.800 0.308 0.000 2.310 393 Q HA 0.464 4.808 4.340 0.006 0.000 0.270 393 Q C -0.434 175.729 176.000 0.271 0.000 1.025 393 Q CA -0.777 55.148 55.803 0.204 0.000 0.772 393 Q CB 1.700 30.522 28.738 0.139 0.000 1.253 393 Q HN 0.548 nan 8.270 nan 0.000 0.450 394 A N 2.262 125.235 122.820 0.255 0.000 2.409 394 A HA 0.553 4.877 4.320 0.006 0.000 0.262 394 A C -0.214 177.486 177.584 0.194 0.000 1.113 394 A CA -0.238 51.980 52.037 0.301 0.000 0.790 394 A CB 0.468 19.621 19.000 0.255 0.000 1.046 394 A HN 0.425 nan 8.150 nan 0.000 0.496 395 V N 3.306 123.361 119.914 0.235 0.000 2.569 395 V HA 0.357 4.480 4.120 0.006 0.000 0.301 395 V C -1.072 175.103 176.094 0.135 0.000 1.044 395 V CA -0.647 61.750 62.300 0.161 0.000 0.874 395 V CB 1.906 33.900 31.823 0.285 0.000 1.002 395 V HN 0.931 nan 8.190 nan 0.000 0.424 396 D N 2.724 123.128 120.400 0.006 0.000 2.462 396 D HA 0.287 4.930 4.640 0.006 0.000 0.245 396 D C 1.010 177.312 176.300 0.004 0.000 1.122 396 D CA -0.105 53.931 54.000 0.060 0.000 0.864 396 D CB 2.046 42.852 40.800 0.009 0.000 1.098 396 D HN 0.538 nan 8.370 nan 0.000 0.541 397 S N 1.464 117.136 115.700 -0.047 0.000 2.603 397 S HA 0.017 4.490 4.470 0.006 0.000 0.220 397 S C 0.710 175.256 174.600 -0.090 0.000 0.967 397 S CA -0.143 57.942 58.200 -0.191 0.000 0.920 397 S CB -0.212 62.753 63.200 -0.392 0.000 0.773 397 S HN 0.328 nan 8.310 nan 0.000 0.529 398 T N 5.088 119.770 114.554 0.213 0.000 2.727 398 T HA 0.368 4.722 4.350 0.006 0.000 0.295 398 T C -2.614 172.272 174.700 0.311 0.000 0.915 398 T CA -1.074 61.266 62.100 0.400 0.000 1.066 398 T CB 0.945 70.197 68.868 0.641 0.000 0.891 398 T HN 0.202 nan 8.240 nan 0.000 0.516 399 P HA 0.142 nan 4.420 nan 0.000 0.269 399 P C -0.398 176.877 177.300 -0.042 0.000 1.215 399 P CA -0.273 62.837 63.100 0.016 0.000 0.780 399 P CB 0.458 32.123 31.700 -0.057 0.000 0.898 400 Q N -0.330 119.345 119.800 -0.208 0.000 2.511 400 Q HA 0.494 4.837 4.340 0.006 0.000 0.289 400 Q C -1.093 174.727 176.000 -0.299 0.000 1.021 400 Q CA -1.166 54.423 55.803 -0.356 0.000 0.785 400 Q CB 1.013 29.361 28.738 -0.649 0.000 1.472 400 Q HN 0.076 nan 8.270 nan 0.000 0.411 401 E N 1.958 122.004 120.200 -0.257 0.000 2.415 401 E HA 0.079 4.433 4.350 0.006 0.000 0.260 401 E C -0.954 175.395 176.600 -0.419 0.000 1.016 401 E CA 0.502 56.761 56.400 -0.234 0.000 0.924 401 E CB 0.305 29.934 29.700 -0.119 0.000 0.961 401 E HN 0.639 nan 8.360 nan 0.000 0.459 402 N N 1.021 119.414 118.700 -0.512 0.000 3.184 402 N HA 0.184 4.927 4.740 0.006 0.000 0.353 402 N C 0.546 175.814 175.510 -0.403 0.000 1.441 402 N CA -0.041 52.348 53.050 -1.101 0.000 0.723 402 N CB -0.213 37.646 38.487 -1.046 0.000 1.547 402 N HN 0.228 nan 8.380 nan 0.000 0.624 403 S N -1.874 113.720 115.700 -0.178 0.000 2.440 403 S HA -0.123 4.350 4.470 0.006 0.000 0.238 403 S C 0.189 174.809 174.600 0.033 0.000 1.010 403 S CA 1.300 59.540 58.200 0.067 0.000 0.972 403 S CB -0.476 62.803 63.200 0.132 0.000 0.774 403 S HN 0.553 nan 8.310 nan 0.000 0.501 404 D N 0.534 120.950 120.400 0.026 0.000 2.423 404 D HA 0.463 5.106 4.640 0.006 0.000 0.212 404 D C 1.128 177.554 176.300 0.210 0.000 1.060 404 D CA 1.007 55.064 54.000 0.095 0.000 0.872 404 D CB 0.880 41.699 40.800 0.032 0.000 1.012 404 D HN 0.591 nan 8.370 nan 0.000 0.503 405 G N 0.421 109.301 108.800 0.132 0.000 2.339 405 G HA2 0.089 4.053 3.960 0.006 0.000 0.275 405 G HA3 0.089 4.053 3.960 0.006 0.000 0.275 405 G C -1.477 173.262 174.900 -0.268 0.000 1.323 405 G CA -0.697 44.374 45.100 -0.049 0.000 0.927 405 G HN -0.009 nan 8.290 nan 0.000 0.486 406 M N 1.506 120.762 119.600 -0.574 0.000 2.497 406 M HA 0.748 5.231 4.480 0.006 0.000 0.336 406 M C -1.548 174.359 176.300 -0.655 0.000 1.378 406 M CA -1.017 53.994 55.300 -0.482 0.000 1.375 406 M CB -1.426 30.954 32.600 -0.365 0.000 1.337 406 M HN 0.455 nan 8.290 nan 0.000 0.461 407 Y N 1.330 121.531 120.300 -0.165 0.000 2.689 407 Y HA 0.622 5.176 4.550 0.005 0.000 0.333 407 Y C -0.166 175.630 175.900 -0.173 0.000 1.190 407 Y CA -1.383 56.619 58.100 -0.163 0.000 1.063 407 Y CB 0.984 39.344 38.460 -0.167 0.000 1.294 407 Y HN 0.595 nan 8.280 nan 0.000 0.466 408 R N -0.092 120.429 120.500 0.035 0.000 2.861 408 R HA 0.465 4.809 4.340 0.006 0.000 0.268 408 R C -1.176 175.079 176.300 -0.073 0.000 1.027 408 R CA -0.217 55.842 56.100 -0.069 0.000 1.163 408 R CB -0.352 29.844 30.300 -0.173 0.000 1.060 408 R HN 0.501 nan 8.270 nan 0.000 0.483 409 C N 0.884 120.139 119.300 -0.075 0.000 2.498 409 C HA 0.934 5.397 4.460 0.006 0.000 0.316 409 C C 0.358 175.330 174.990 -0.031 0.000 1.209 409 C CA 0.640 59.625 59.018 -0.056 0.000 1.518 409 C CB 0.743 28.458 27.740 -0.042 0.000 2.147 409 C HN 1.150 nan 8.230 nan 0.000 0.483 410 G N 4.280 113.098 108.800 0.031 0.000 2.525 410 G HA2 0.020 3.983 3.960 0.006 0.000 0.685 410 G HA3 0.020 3.983 3.960 0.006 0.000 0.685 410 G C -3.396 171.496 174.900 -0.013 0.000 1.290 410 G CA -1.022 44.129 45.100 0.085 0.000 0.915 410 G HN 0.482 nan 8.290 nan 0.000 0.548 411 P HA 0.497 nan 4.420 nan 0.000 0.276 411 P C -0.192 177.269 177.300 0.268 0.000 1.253 411 P CA 0.615 63.828 63.100 0.188 0.000 0.766 411 P CB 1.193 33.000 31.700 0.178 0.000 0.845 412 A N 3.093 126.022 122.820 0.183 0.000 2.304 412 A HA 0.423 4.746 4.320 0.006 0.000 0.323 412 A C 0.439 178.090 177.584 0.112 0.000 1.195 412 A CA -0.645 51.481 52.037 0.148 0.000 0.826 412 A CB 0.615 19.694 19.000 0.132 0.000 1.184 412 A HN 0.447 nan 8.150 nan 0.000 0.496 413 S N 2.130 117.868 115.700 0.063 0.000 2.515 413 S HA 0.125 4.598 4.470 0.006 0.000 0.285 413 S C 1.340 175.975 174.600 0.057 0.000 1.265 413 S CA -0.311 57.919 58.200 0.051 0.000 1.079 413 S CB -0.009 63.199 63.200 0.014 0.000 0.877 413 S HN 0.689 nan 8.310 nan 0.000 0.493 414 V N 6.050 125.980 119.914 0.026 0.000 2.407 414 V HA -0.143 3.981 4.120 0.006 0.000 0.248 414 V C 2.690 178.765 176.094 -0.032 0.000 1.055 414 V CA 1.605 63.823 62.300 -0.137 0.000 1.049 414 V CB -0.658 30.971 31.823 -0.322 0.000 0.662 414 V HN 0.793 nan 8.190 nan 0.000 0.455 415 Q N -0.110 119.753 119.800 0.104 0.000 2.096 415 Q HA -0.202 4.142 4.340 0.006 0.000 0.204 415 Q C 2.467 178.736 176.000 0.449 0.000 0.982 415 Q CA 2.040 58.002 55.803 0.264 0.000 0.850 415 Q CB -0.547 28.342 28.738 0.253 0.000 0.901 415 Q HN 0.672 nan 8.270 nan 0.000 0.422 416 A N 0.724 123.737 122.820 0.321 0.000 1.898 416 A HA -0.139 4.184 4.320 0.006 0.000 0.216 416 A C 2.164 179.885 177.584 0.229 0.000 1.181 416 A CA 0.964 53.070 52.037 0.115 0.000 0.620 416 A CB -0.629 18.185 19.000 -0.311 0.000 0.819 416 A HN 0.298 nan 8.150 nan 0.000 0.442 417 I N -0.419 120.271 120.570 0.201 0.000 2.127 417 I HA -0.316 3.857 4.170 0.006 0.000 0.241 417 I C 2.562 178.913 176.117 0.391 0.000 1.075 417 I CA 2.012 63.502 61.300 0.317 0.000 1.334 417 I CB -0.278 37.874 38.000 0.255 0.000 1.040 417 I HN 0.381 nan 8.210 nan 0.000 0.405 418 K N 0.334 120.866 120.400 0.220 0.000 2.074 418 K HA -0.253 4.071 4.320 0.006 0.000 0.209 418 K C 1.754 178.457 176.600 0.172 0.000 1.048 418 K CA 1.920 58.253 56.287 0.077 0.000 0.926 418 K CB -0.131 32.257 32.500 -0.187 0.000 0.713 418 K HN 0.434 nan 8.250 nan 0.000 0.444 419 H N -1.950 117.316 119.070 0.327 0.000 2.539 419 H HA 0.191 4.751 4.556 0.006 0.000 0.269 419 H C 0.946 176.527 175.328 0.422 0.000 0.980 419 H CA 0.715 56.992 56.048 0.382 0.000 1.152 419 H CB 1.012 30.855 29.762 0.134 0.000 1.407 419 H HN 0.537 nan 8.280 nan 0.000 0.564 420 G N 0.350 109.428 108.800 0.463 0.000 2.157 420 G HA2 -0.307 3.656 3.960 0.006 0.000 0.248 420 G HA3 -0.307 3.656 3.960 0.006 0.000 0.248 420 G C 0.053 175.087 174.900 0.223 0.000 0.979 420 G CA -0.058 45.165 45.100 0.205 0.000 0.650 420 G HN 0.618 nan 8.290 nan 0.000 0.529 421 H N 0.763 119.892 119.070 0.098 0.000 2.680 421 H HA 0.322 4.882 4.556 0.006 0.000 0.224 421 H C 1.600 176.781 175.328 -0.245 0.000 1.866 421 H CA 0.209 56.231 56.048 -0.044 0.000 1.302 421 H CB 0.375 30.187 29.762 0.083 0.000 1.709 421 H HN 0.419 nan 8.280 nan 0.000 0.537 422 V N -1.373 118.461 119.914 -0.133 0.000 3.577 422 V HA -0.077 4.047 4.120 0.006 0.000 0.294 422 V C 2.030 177.973 176.094 -0.252 0.000 1.317 422 V CA 0.056 62.260 62.300 -0.160 0.000 1.169 422 V CB -1.252 30.464 31.823 -0.178 0.000 1.011 422 V HN 0.671 nan 8.190 nan 0.000 0.426 423 C N -1.297 117.681 119.300 -0.537 0.000 2.432 423 C HA 0.196 4.659 4.460 0.006 0.000 0.280 423 C C 1.180 175.806 174.990 -0.605 0.000 1.353 423 C CA -0.580 58.043 59.018 -0.658 0.000 1.766 423 C CB -1.731 25.334 27.740 -1.125 0.000 1.924 423 C HN 0.398 nan 8.230 nan 0.000 0.509 424 F N 3.505 123.265 119.950 -0.316 0.000 2.495 424 F HA 0.307 4.837 4.527 0.006 0.000 0.365 424 F C 1.116 176.743 175.800 -0.288 0.000 1.090 424 F CA -0.645 57.163 58.000 -0.321 0.000 1.235 424 F CB 0.118 38.871 39.000 -0.411 0.000 1.119 424 F HN 0.410 nan 8.300 nan 0.000 0.562 425 Q N 1.966 121.648 119.800 -0.196 0.000 2.474 425 Q HA 0.314 4.657 4.340 0.006 0.000 0.256 425 Q C -1.606 174.218 176.000 -0.293 0.000 1.048 425 Q CA -0.025 55.500 55.803 -0.463 0.000 0.922 425 Q CB 0.469 28.529 28.738 -1.129 0.000 1.288 425 Q HN 0.464 nan 8.270 nan 0.000 0.484 426 F N 0.480 120.447 119.950 0.029 0.000 2.495 426 F HA 0.254 4.785 4.527 0.007 0.000 0.327 426 F C -0.152 175.680 175.800 0.053 0.000 1.103 426 F CA -0.847 57.170 58.000 0.028 0.000 0.949 426 F CB 1.519 40.522 39.000 0.004 0.000 1.142 426 F HN 0.742 nan 8.300 nan 0.000 0.457 427 D N 0.935 121.486 120.400 0.253 0.000 2.870 427 D HA -0.230 4.413 4.640 0.006 0.000 0.228 427 D C 1.309 177.794 176.300 0.307 0.000 1.147 427 D CA 0.825 55.015 54.000 0.318 0.000 0.757 427 D CB -1.045 39.877 40.800 0.203 0.000 1.091 427 D HN 0.663 nan 8.370 nan 0.000 0.429 428 A N -0.023 122.901 122.820 0.174 0.000 1.933 428 A HA -0.073 4.251 4.320 0.006 0.000 0.218 428 A C -0.136 177.509 177.584 0.101 0.000 1.175 428 A CA 1.531 53.642 52.037 0.122 0.000 0.628 428 A CB -0.871 18.158 19.000 0.048 0.000 0.814 428 A HN 0.283 nan 8.150 nan 0.000 0.444 429 P HA -0.120 nan 4.420 nan 0.000 0.218 429 P C 0.915 178.058 177.300 -0.261 0.000 1.148 429 P CA 0.987 63.955 63.100 -0.220 0.000 0.822 429 P CB -0.178 31.250 31.700 -0.452 0.000 0.784 430 F N -1.102 118.878 119.950 0.049 0.000 2.163 430 F HA -0.107 4.423 4.527 0.006 0.000 0.297 430 F C 2.339 178.137 175.800 -0.004 0.000 1.094 430 F CA 0.948 58.953 58.000 0.008 0.000 1.290 430 F CB -1.478 37.501 39.000 -0.035 0.000 1.017 430 F HN -0.298 nan 8.300 nan 0.000 0.483 431 V N -0.351 119.651 119.914 0.147 0.000 2.358 431 V HA -0.286 3.837 4.120 0.006 0.000 0.246 431 V C 2.135 178.283 176.094 0.091 0.000 1.047 431 V CA 1.522 63.821 62.300 -0.002 0.000 1.035 431 V CB -0.927 30.875 31.823 -0.036 0.000 0.658 431 V HN 0.277 nan 8.190 nan 0.000 0.452 432 F N 1.811 121.781 119.950 0.034 0.000 2.063 432 F HA -0.309 4.221 4.527 0.006 0.000 0.298 432 F C 2.324 178.142 175.800 0.030 0.000 1.109 432 F CA 2.037 60.068 58.000 0.053 0.000 1.212 432 F CB -0.439 38.578 39.000 0.028 0.000 0.973 432 F HN 0.094 nan 8.300 nan 0.000 0.480 433 A N -0.797 122.126 122.820 0.171 0.000 2.067 433 A HA -0.172 4.151 4.320 0.006 0.000 0.219 433 A C 1.953 179.546 177.584 0.015 0.000 1.158 433 A CA 1.511 53.589 52.037 0.068 0.000 0.661 433 A CB -0.817 18.213 19.000 0.050 0.000 0.801 433 A HN 0.520 nan 8.150 nan 0.000 0.452 434 E N -0.064 120.146 120.200 0.016 0.000 2.110 434 E HA -0.142 4.212 4.350 0.006 0.000 0.193 434 E C 1.613 178.243 176.600 0.050 0.000 0.988 434 E CA 1.872 58.288 56.400 0.028 0.000 0.804 434 E CB -0.100 29.577 29.700 -0.038 0.000 0.745 434 E HN 0.601 nan 8.360 nan 0.000 0.458 435 V N -2.721 117.189 119.914 -0.006 0.000 3.528 435 V HA 0.356 4.480 4.120 0.006 0.000 0.294 435 V C 0.777 176.828 176.094 -0.071 0.000 1.404 435 V CA 0.165 62.465 62.300 -0.000 0.000 1.065 435 V CB 0.292 32.116 31.823 0.002 0.000 0.904 435 V HN 0.100 nan 8.190 nan 0.000 0.435 436 N N 0.444 119.047 118.700 -0.162 0.000 2.159 436 N HA 0.259 5.002 4.740 0.006 0.000 0.217 436 N C 0.330 175.797 175.510 -0.072 0.000 1.223 436 N CA 0.124 53.052 53.050 -0.202 0.000 0.896 436 N CB 1.088 39.234 38.487 -0.569 0.000 1.064 436 N HN 0.387 nan 8.380 nan 0.000 0.518 437 S N 1.302 116.992 115.700 -0.016 0.000 2.572 437 S HA 0.117 4.591 4.470 0.006 0.000 0.279 437 S C -0.027 174.590 174.600 0.029 0.000 1.341 437 S CA -0.079 58.131 58.200 0.017 0.000 1.043 437 S CB 0.932 64.147 63.200 0.025 0.000 0.887 437 S HN 0.099 nan 8.310 nan 0.000 0.516 438 D N 1.381 121.793 120.400 0.021 0.000 2.283 438 D HA 0.389 5.033 4.640 0.006 0.000 0.248 438 D C -0.153 176.129 176.300 -0.030 0.000 1.072 438 D CA -0.273 53.736 54.000 0.014 0.000 0.929 438 D CB 0.648 41.454 40.800 0.010 0.000 1.182 438 D HN 0.282 nan 8.370 nan 0.000 0.433 439 L N 1.707 122.896 121.223 -0.057 0.000 2.307 439 L HA 0.421 4.764 4.340 0.006 0.000 0.282 439 L C -0.247 176.479 176.870 -0.241 0.000 1.051 439 L CA -0.770 53.953 54.840 -0.195 0.000 0.804 439 L CB 1.015 42.916 42.059 -0.264 0.000 1.197 439 L HN 0.107 nan 8.230 nan 0.000 0.431 440 I N 2.924 123.285 120.570 -0.347 0.000 2.389 440 I HA 0.278 4.451 4.170 0.006 0.000 0.288 440 I C -0.682 175.179 176.117 -0.427 0.000 0.999 440 I CA -0.553 60.587 61.300 -0.267 0.000 1.129 440 I CB 1.271 39.150 38.000 -0.201 0.000 1.288 440 I HN 0.412 nan 8.210 nan 0.000 0.444 441 Y N 6.448 126.684 120.300 -0.108 0.000 2.341 441 Y HA 0.540 5.093 4.550 0.006 0.000 0.340 441 Y C 0.341 176.179 175.900 -0.104 0.000 0.997 441 Y CA -0.273 57.760 58.100 -0.112 0.000 1.149 441 Y CB 1.331 39.762 38.460 -0.048 0.000 1.171 441 Y HN 0.355 nan 8.280 nan 0.000 0.494 442 I N 3.011 123.564 120.570 -0.028 0.000 2.466 442 I HA 0.258 4.431 4.170 0.006 0.000 0.289 442 I C -0.474 175.723 176.117 0.134 0.000 1.026 442 I CA -0.694 60.609 61.300 0.005 0.000 1.078 442 I CB 2.122 40.051 38.000 -0.117 0.000 1.249 442 I HN 0.478 nan 8.210 nan 0.000 0.429 443 T N 5.135 119.784 114.554 0.159 0.000 2.794 443 T HA 0.432 4.786 4.350 0.006 0.000 0.296 443 T C 0.201 175.058 174.700 0.261 0.000 0.949 443 T CA -0.390 61.814 62.100 0.174 0.000 1.101 443 T CB 1.029 69.961 68.868 0.106 0.000 0.905 443 T HN 0.640 nan 8.240 nan 0.000 0.516 444 A N 4.649 127.632 122.820 0.272 0.000 2.294 444 A HA 0.430 4.753 4.320 0.006 0.000 0.316 444 A C 0.408 178.013 177.584 0.036 0.000 1.359 444 A CA -0.706 51.463 52.037 0.221 0.000 0.956 444 A CB 0.143 19.257 19.000 0.191 0.000 1.155 444 A HN 0.779 nan 8.150 nan 0.000 0.544 445 K N 1.594 121.974 120.400 -0.033 0.000 2.126 445 K HA 0.217 4.540 4.320 0.006 0.000 0.257 445 K C 0.374 176.935 176.600 -0.065 0.000 1.007 445 K CA -0.785 55.479 56.287 -0.039 0.000 0.928 445 K CB 0.816 33.293 32.500 -0.038 0.000 1.013 445 K HN 0.468 nan 8.250 nan 0.000 0.473 446 K N 1.432 121.805 120.400 -0.045 0.000 2.283 446 K HA -0.131 4.192 4.320 0.006 0.000 0.202 446 K C 1.040 177.606 176.600 -0.058 0.000 1.048 446 K CA 1.252 57.510 56.287 -0.049 0.000 0.948 446 K CB -0.234 32.245 32.500 -0.035 0.000 0.742 446 K HN 0.686 nan 8.250 nan 0.000 0.458 447 D N -0.344 120.020 120.400 -0.060 0.000 2.363 447 D HA -0.007 4.637 4.640 0.006 0.000 0.226 447 D C 1.123 177.368 176.300 -0.091 0.000 1.020 447 D CA 0.850 54.813 54.000 -0.062 0.000 0.892 447 D CB -0.025 40.746 40.800 -0.048 0.000 0.900 447 D HN 0.249 nan 8.370 nan 0.000 0.531 448 G N -0.062 108.657 108.800 -0.135 0.000 2.175 448 G HA2 -0.267 3.696 3.960 0.006 0.000 0.244 448 G HA3 -0.267 3.696 3.960 0.006 0.000 0.244 448 G C 0.531 175.246 174.900 -0.309 0.000 0.982 448 G CA 0.528 45.511 45.100 -0.195 0.000 0.641 448 G HN 0.782 nan 8.290 nan 0.000 0.527 449 T N -1.847 112.557 114.554 -0.251 0.000 2.824 449 T HA 0.679 5.032 4.350 0.006 0.000 0.277 449 T C -0.133 174.357 174.700 -0.351 0.000 0.975 449 T CA -0.052 61.898 62.100 -0.249 0.000 0.966 449 T CB 1.742 70.556 68.868 -0.090 0.000 1.054 449 T HN 0.450 nan 8.240 nan 0.000 0.533 450 H N -1.635 117.461 119.070 0.043 0.000 2.717 450 H HA 0.687 5.246 4.556 0.006 0.000 0.366 450 H C -1.047 174.319 175.328 0.063 0.000 1.132 450 H CA -0.930 55.163 56.048 0.075 0.000 1.180 450 H CB 2.079 31.913 29.762 0.119 0.000 1.678 450 H HN 0.613 nan 8.280 nan 0.000 0.537 451 V N 3.457 123.490 119.914 0.199 0.000 2.638 451 V HA 0.416 4.540 4.120 0.006 0.000 0.306 451 V C -1.084 175.071 176.094 0.101 0.000 1.052 451 V CA -0.675 61.697 62.300 0.119 0.000 0.885 451 V CB 1.722 33.593 31.823 0.080 0.000 0.999 451 V HN 0.590 nan 8.190 nan 0.000 0.424 452 V N 7.338 127.296 119.914 0.072 0.000 2.455 452 V HA 0.376 4.500 4.120 0.006 0.000 0.273 452 V C 0.901 177.028 176.094 0.055 0.000 1.045 452 V CA -0.024 62.307 62.300 0.051 0.000 0.976 452 V CB 1.078 32.920 31.823 0.032 0.000 0.993 452 V HN 1.013 nan 8.190 nan 0.000 0.475 453 E N 3.721 123.962 120.200 0.069 0.000 2.132 453 E HA 0.116 4.470 4.350 0.006 0.000 0.193 453 E C 0.250 176.888 176.600 0.064 0.000 0.951 453 E CA 0.775 57.215 56.400 0.066 0.000 0.843 453 E CB 0.375 30.120 29.700 0.075 0.000 0.807 453 E HN 0.990 nan 8.360 nan 0.000 0.467 454 N N -1.837 116.927 118.700 0.106 0.000 3.356 454 N HA 0.270 5.014 4.740 0.006 0.000 0.246 454 N C -1.539 174.070 175.510 0.165 0.000 1.480 454 N CA -0.755 52.358 53.050 0.105 0.000 0.877 454 N CB 1.996 40.524 38.487 0.068 0.000 1.431 454 N HN -0.109 nan 8.380 nan 0.000 0.500 455 V N -0.842 119.151 119.914 0.133 0.000 2.789 455 V HA 0.645 4.769 4.120 0.006 0.000 0.311 455 V C -1.542 174.634 176.094 0.138 0.000 1.073 455 V CA -0.524 61.847 62.300 0.118 0.000 0.921 455 V CB 1.872 33.730 31.823 0.059 0.000 1.009 455 V HN 0.864 nan 8.190 nan 0.000 0.426 456 D N 4.791 125.275 120.400 0.141 0.000 2.441 456 D HA 0.603 5.246 4.640 0.006 0.000 0.231 456 D C 0.453 176.811 176.300 0.097 0.000 1.073 456 D CA 0.193 54.276 54.000 0.139 0.000 0.850 456 D CB 1.791 42.706 40.800 0.191 0.000 1.062 456 D HN 0.775 nan 8.370 nan 0.000 0.524 457 A N 2.634 125.508 122.820 0.090 0.000 2.275 457 A HA 0.068 4.392 4.320 0.006 0.000 0.212 457 A C 1.482 179.121 177.584 0.091 0.000 1.201 457 A CA 0.707 52.791 52.037 0.078 0.000 0.843 457 A CB -0.033 19.006 19.000 0.066 0.000 0.873 457 A HN 0.544 nan 8.150 nan 0.000 0.492 458 T N -5.045 109.578 114.554 0.115 0.000 3.044 458 T HA 0.138 4.492 4.350 0.006 0.000 0.260 458 T C 1.358 176.151 174.700 0.154 0.000 1.019 458 T CA 0.673 62.842 62.100 0.115 0.000 0.921 458 T CB -0.342 68.586 68.868 0.101 0.000 1.053 458 T HN 0.470 nan 8.240 nan 0.000 0.533 459 H N 1.189 120.299 119.070 0.065 0.000 2.317 459 H HA 0.399 4.959 4.556 0.006 0.000 0.304 459 H C 0.488 175.907 175.328 0.152 0.000 1.067 459 H CA 0.697 56.777 56.048 0.054 0.000 1.352 459 H CB -0.173 29.548 29.762 -0.069 0.000 1.398 459 H HN 0.329 nan 8.280 nan 0.000 0.510 460 I N 0.469 121.151 120.570 0.186 0.000 2.575 460 I HA 0.128 4.302 4.170 0.006 0.000 0.285 460 I C 1.101 177.299 176.117 0.135 0.000 1.085 460 I CA 0.600 62.005 61.300 0.175 0.000 1.403 460 I CB 1.154 39.245 38.000 0.152 0.000 1.409 460 I HN 0.662 nan 8.210 nan 0.000 0.557 461 G N 4.651 113.541 108.800 0.150 0.000 2.272 461 G HA2 -0.326 3.637 3.960 0.006 0.000 0.280 461 G HA3 -0.326 3.637 3.960 0.006 0.000 0.280 461 G C 0.839 175.784 174.900 0.075 0.000 1.067 461 G CA 0.618 45.770 45.100 0.087 0.000 0.902 461 G HN 0.777 nan 8.290 nan 0.000 0.500 462 K N -0.705 119.761 120.400 0.110 0.000 2.116 462 K HA 0.352 4.676 4.320 0.006 0.000 0.203 462 K C 0.937 177.555 176.600 0.029 0.000 1.052 462 K CA 0.977 57.313 56.287 0.083 0.000 0.952 462 K CB 0.145 32.725 32.500 0.133 0.000 0.729 462 K HN 0.521 nan 8.250 nan 0.000 0.446 463 L N 1.232 122.475 121.223 0.035 0.000 2.526 463 L HA 0.447 4.790 4.340 0.006 0.000 0.263 463 L C -1.670 175.224 176.870 0.039 0.000 0.943 463 L CA -0.743 54.105 54.840 0.013 0.000 0.859 463 L CB 1.872 43.910 42.059 -0.036 0.000 1.313 463 L HN 0.027 nan 8.230 nan 0.000 0.406 464 I N 5.057 125.598 120.570 -0.047 0.000 2.466 464 I HA 0.557 4.731 4.170 0.006 0.000 0.289 464 I C -0.379 175.637 176.117 -0.169 0.000 1.026 464 I CA -0.767 60.442 61.300 -0.152 0.000 1.078 464 I CB 2.094 39.959 38.000 -0.224 0.000 1.249 464 I HN 0.317 nan 8.210 nan 0.000 0.429 465 V N 1.638 121.408 119.914 -0.239 0.000 3.102 465 V HA 0.856 4.980 4.120 0.006 0.000 0.312 465 V C -0.664 175.230 176.094 -0.332 0.000 1.135 465 V CA -0.365 61.745 62.300 -0.316 0.000 1.022 465 V CB 2.059 33.600 31.823 -0.470 0.000 1.056 465 V HN 0.751 nan 8.190 nan 0.000 0.436 466 T N 0.681 115.050 114.554 -0.307 0.000 2.821 466 T HA 0.394 4.747 4.350 0.006 0.000 0.306 466 T C -0.931 173.785 174.700 0.027 0.000 1.313 466 T CA -0.679 61.354 62.100 -0.111 0.000 1.012 466 T CB 1.922 70.708 68.868 -0.135 0.000 1.298 466 T HN 1.210 nan 8.240 nan 0.000 0.502 467 K N 2.296 122.860 120.400 0.273 0.000 2.436 467 K HA 0.164 4.487 4.320 0.006 0.000 0.275 467 K C 0.637 177.332 176.600 0.159 0.000 0.999 467 K CA -0.187 56.289 56.287 0.315 0.000 0.980 467 K CB 0.413 33.073 32.500 0.266 0.000 0.919 467 K HN 0.683 nan 8.250 nan 0.000 0.484 468 Q N 2.941 122.812 119.800 0.118 0.000 2.382 468 Q HA 0.073 4.417 4.340 0.006 0.000 0.229 468 Q C 0.851 176.866 176.000 0.025 0.000 1.006 468 Q CA -0.364 55.472 55.803 0.056 0.000 0.916 468 Q CB 0.701 29.458 28.738 0.032 0.000 1.235 468 Q HN 0.646 nan 8.270 nan 0.000 0.512 469 I N 1.271 121.824 120.570 -0.028 0.000 2.163 469 I HA -0.203 3.970 4.170 0.006 0.000 0.240 469 I C 2.187 178.268 176.117 -0.060 0.000 1.081 469 I CA 1.440 62.674 61.300 -0.111 0.000 1.353 469 I CB -0.984 36.928 38.000 -0.146 0.000 1.054 469 I HN 1.037 nan 8.210 nan 0.000 0.407 470 G N 0.148 108.930 108.800 -0.030 0.000 2.839 470 G HA2 -0.129 3.835 3.960 0.006 0.000 0.221 470 G HA3 -0.129 3.835 3.960 0.006 0.000 0.221 470 G C 0.906 175.812 174.900 0.009 0.000 1.271 470 G CA 1.371 46.465 45.100 -0.009 0.000 0.789 470 G HN 0.577 nan 8.290 nan 0.000 0.659 471 G N -2.067 106.748 108.800 0.025 0.000 3.111 471 G HA2 0.395 4.359 3.960 0.006 0.000 0.158 471 G HA3 0.395 4.359 3.960 0.006 0.000 0.158 471 G C -0.423 174.510 174.900 0.055 0.000 1.161 471 G CA 0.647 45.773 45.100 0.044 0.000 1.025 471 G HN 0.053 nan 8.290 nan 0.000 0.619 472 D N 0.891 121.326 120.400 0.057 0.000 2.328 472 D HA 0.228 4.872 4.640 0.006 0.000 0.226 472 D C 1.393 177.764 176.300 0.118 0.000 1.066 472 D CA 0.402 54.440 54.000 0.064 0.000 0.861 472 D CB 0.112 40.928 40.800 0.027 0.000 0.912 472 D HN 0.428 nan 8.370 nan 0.000 0.521 473 G N 0.907 109.769 108.800 0.104 0.000 2.667 473 G HA2 0.376 4.340 3.960 0.006 0.000 0.250 473 G HA3 0.376 4.340 3.960 0.006 0.000 0.250 473 G C 0.329 175.324 174.900 0.158 0.000 1.212 473 G CA -0.563 44.601 45.100 0.107 0.000 0.874 473 G HN 0.142 nan 8.290 nan 0.000 0.561 474 M N 0.194 119.819 119.600 0.042 0.000 2.363 474 M HA 0.661 5.144 4.480 0.006 0.000 0.343 474 M C -0.302 175.884 176.300 -0.191 0.000 1.165 474 M CA -0.619 54.540 55.300 -0.235 0.000 1.046 474 M CB 2.001 34.162 32.600 -0.733 0.000 1.648 474 M HN 0.390 nan 8.290 nan 0.000 0.452 475 M N 2.726 122.207 119.600 -0.199 0.000 2.268 475 M HA 0.296 4.779 4.480 0.006 0.000 0.344 475 M C -1.234 174.969 176.300 -0.162 0.000 1.106 475 M CA -0.412 54.813 55.300 -0.125 0.000 1.010 475 M CB 1.425 33.993 32.600 -0.053 0.000 1.649 475 M HN 0.842 nan 8.290 nan 0.000 0.443 476 D N 5.679 126.008 120.400 -0.117 0.000 2.339 476 D HA 0.246 4.889 4.640 0.006 0.000 0.241 476 D C 0.179 176.441 176.300 -0.062 0.000 1.183 476 D CA -0.177 53.759 54.000 -0.106 0.000 0.859 476 D CB 0.389 41.137 40.800 -0.087 0.000 1.067 476 D HN 0.687 nan 8.370 nan 0.000 0.484 477 I N 0.663 121.197 120.570 -0.061 0.000 3.856 477 I HA 0.175 4.349 4.170 0.006 0.000 0.330 477 I C 1.028 177.176 176.117 0.051 0.000 1.546 477 I CA -0.567 60.730 61.300 -0.004 0.000 1.132 477 I CB 0.426 38.419 38.000 -0.012 0.000 1.157 477 I HN -0.006 nan 8.210 nan 0.000 0.440 478 T N 1.726 116.288 114.554 0.013 0.000 2.720 478 T HA -0.194 4.159 4.350 0.006 0.000 0.268 478 T C 1.492 176.230 174.700 0.065 0.000 1.037 478 T CA 2.393 64.513 62.100 0.033 0.000 1.144 478 T CB -0.381 68.490 68.868 0.003 0.000 0.864 478 T HN 0.710 nan 8.240 nan 0.000 0.444 479 D N 1.643 122.058 120.400 0.025 0.000 2.363 479 D HA -0.051 4.593 4.640 0.006 0.000 0.226 479 D C 1.880 178.144 176.300 -0.060 0.000 1.020 479 D CA 1.005 54.992 54.000 -0.021 0.000 0.892 479 D CB -0.771 40.018 40.800 -0.019 0.000 0.900 479 D HN 0.536 nan 8.370 nan 0.000 0.531 480 T N -3.000 111.564 114.554 0.017 0.000 2.985 480 T HA -0.087 4.267 4.350 0.006 0.000 0.266 480 T C 1.694 176.333 174.700 -0.101 0.000 1.076 480 T CA 0.512 62.594 62.100 -0.029 0.000 1.135 480 T CB -0.636 68.246 68.868 0.024 0.000 0.890 480 T HN 0.105 nan 8.240 nan 0.000 0.480 481 Y N 1.447 121.725 120.300 -0.036 0.000 2.476 481 Y HA 0.453 5.006 4.550 0.005 0.000 0.283 481 Y C 0.919 176.771 175.900 -0.080 0.000 1.109 481 Y CA 0.050 58.145 58.100 -0.008 0.000 1.246 481 Y CB 0.451 38.944 38.460 0.054 0.000 1.068 481 Y HN 0.108 nan 8.280 nan 0.000 0.552 482 K N -0.271 120.134 120.400 0.008 0.000 2.535 482 K HA 0.272 4.596 4.320 0.006 0.000 0.250 482 K C -1.371 175.169 176.600 -0.099 0.000 0.948 482 K CA -0.662 55.610 56.287 -0.024 0.000 0.796 482 K CB 1.576 34.099 32.500 0.038 0.000 1.216 482 K HN -0.232 nan 8.250 nan 0.000 0.432 483 F N 1.421 121.381 119.950 0.017 0.000 2.480 483 F HA 0.040 4.571 4.527 0.006 0.000 0.319 483 F C 1.254 177.068 175.800 0.023 0.000 1.230 483 F CA 0.097 58.102 58.000 0.008 0.000 1.285 483 F CB 0.434 39.430 39.000 -0.007 0.000 1.208 483 F HN 0.421 nan 8.300 nan 0.000 0.579 484 Q N 1.956 121.919 119.800 0.272 0.000 2.262 484 Q HA -0.043 4.301 4.340 0.006 0.000 0.298 484 Q C -0.693 175.381 176.000 0.122 0.000 1.083 484 Q CA 0.437 56.331 55.803 0.151 0.000 0.962 484 Q CB -0.081 28.732 28.738 0.126 0.000 1.104 484 Q HN 0.468 nan 8.270 nan 0.000 0.376 485 E N 2.676 122.931 120.200 0.092 0.000 2.465 485 E HA 0.189 4.543 4.350 0.006 0.000 0.260 485 E C 0.796 177.437 176.600 0.068 0.000 0.980 485 E CA 0.921 57.368 56.400 0.078 0.000 0.927 485 E CB 0.178 29.918 29.700 0.066 0.000 0.934 485 E HN 0.959 nan 8.360 nan 0.000 0.459 486 G N 2.256 111.095 108.800 0.064 0.000 2.213 486 G HA2 -0.215 3.749 3.960 0.006 0.000 0.236 486 G HA3 -0.215 3.749 3.960 0.006 0.000 0.236 486 G C 0.238 175.165 174.900 0.045 0.000 0.991 486 G CA -0.166 44.965 45.100 0.052 0.000 0.629 486 G HN 0.399 nan 8.290 nan 0.000 0.517 487 Q N -0.598 119.230 119.800 0.047 0.000 2.576 487 Q HA 0.612 4.956 4.340 0.006 0.000 0.249 487 Q C 1.090 177.093 176.000 0.005 0.000 1.041 487 Q CA -0.126 55.694 55.803 0.027 0.000 0.928 487 Q CB 1.005 29.760 28.738 0.029 0.000 1.302 487 Q HN 0.202 nan 8.270 nan 0.000 0.504 488 E N 0.968 121.152 120.200 -0.027 0.000 2.107 488 E HA -0.160 4.193 4.350 0.006 0.000 0.191 488 E C 1.055 177.592 176.600 -0.105 0.000 0.982 488 E CA 1.751 58.122 56.400 -0.047 0.000 0.809 488 E CB 0.198 29.870 29.700 -0.047 0.000 0.756 488 E HN 0.598 nan 8.360 nan 0.000 0.459 489 E N 0.415 120.476 120.200 -0.231 0.000 2.106 489 E HA -0.156 4.198 4.350 0.006 0.000 0.192 489 E C 1.921 178.369 176.600 -0.253 0.000 0.984 489 E CA 1.214 57.303 56.400 -0.518 0.000 0.806 489 E CB -0.119 28.784 29.700 -1.328 0.000 0.750 489 E HN 0.413 nan 8.360 nan 0.000 0.458 490 E N 1.015 121.200 120.200 -0.025 0.000 2.107 490 E HA -0.203 4.150 4.350 0.006 0.000 0.191 490 E C 2.198 178.872 176.600 0.123 0.000 0.982 490 E CA 0.631 57.121 56.400 0.150 0.000 0.809 490 E CB 0.089 29.884 29.700 0.159 0.000 0.756 490 E HN 0.065 nan 8.360 nan 0.000 0.459 491 R N 0.530 121.068 120.500 0.063 0.000 2.075 491 R HA -0.140 4.203 4.340 0.006 0.000 0.232 491 R C 2.540 178.879 176.300 0.066 0.000 1.126 491 R CA 1.073 57.210 56.100 0.062 0.000 0.963 491 R CB -0.284 30.036 30.300 0.033 0.000 0.858 491 R HN 0.255 nan 8.270 nan 0.000 0.435 492 L N 0.911 122.159 121.223 0.041 0.000 2.093 492 L HA -0.013 4.331 4.340 0.006 0.000 0.208 492 L C 2.281 179.225 176.870 0.123 0.000 1.085 492 L CA 2.076 56.950 54.840 0.058 0.000 0.755 492 L CB -0.574 41.501 42.059 0.026 0.000 0.904 492 L HN 0.221 nan 8.230 nan 0.000 0.435 493 A N -0.632 122.295 122.820 0.179 0.000 1.933 493 A HA -0.174 4.149 4.320 0.006 0.000 0.218 493 A C 2.213 179.949 177.584 0.255 0.000 1.175 493 A CA 1.855 54.068 52.037 0.293 0.000 0.628 493 A CB -0.935 18.319 19.000 0.423 0.000 0.814 493 A HN 0.500 nan 8.150 nan 0.000 0.444 494 L N 0.031 121.408 121.223 0.256 0.000 2.109 494 L HA -0.057 4.287 4.340 0.006 0.000 0.207 494 L C 2.193 179.100 176.870 0.062 0.000 1.086 494 L CA 2.574 57.553 54.840 0.231 0.000 0.760 494 L CB -0.606 41.587 42.059 0.224 0.000 0.910 494 L HN 0.591 nan 8.230 nan 0.000 0.437 495 E N -0.937 119.292 120.200 0.049 0.000 2.051 495 E HA -0.231 4.122 4.350 0.006 0.000 0.192 495 E C 1.817 178.375 176.600 -0.070 0.000 0.991 495 E CA 2.009 58.402 56.400 -0.011 0.000 0.799 495 E CB -0.142 29.558 29.700 0.000 0.000 0.748 495 E HN 0.580 nan 8.360 nan 0.000 0.449 496 T N 0.857 115.393 114.554 -0.029 0.000 2.708 496 T HA -0.146 4.207 4.350 0.006 0.000 0.266 496 T C 1.927 176.535 174.700 -0.154 0.000 1.037 496 T CA 1.394 63.453 62.100 -0.067 0.000 1.146 496 T CB -0.430 68.493 68.868 0.092 0.000 0.865 496 T HN 0.368 nan 8.240 nan 0.000 0.435 497 A N 1.599 124.312 122.820 -0.178 0.000 1.892 497 A HA -0.074 4.250 4.320 0.006 0.000 0.218 497 A C 2.160 179.554 177.584 -0.318 0.000 1.188 497 A CA 1.290 53.097 52.037 -0.383 0.000 0.631 497 A CB -0.887 17.543 19.000 -0.951 0.000 0.822 497 A HN 0.346 nan 8.150 nan 0.000 0.447 498 L N -0.752 120.324 121.223 -0.244 0.000 2.265 498 L HA -0.078 4.266 4.340 0.006 0.000 0.215 498 L C 2.468 179.171 176.870 -0.279 0.000 1.117 498 L CA 1.580 56.297 54.840 -0.205 0.000 0.782 498 L CB -0.925 41.056 42.059 -0.129 0.000 0.914 498 L HN 0.452 nan 8.230 nan 0.000 0.441 499 M N -2.650 116.682 119.600 -0.445 0.000 2.394 499 M HA -0.132 4.351 4.480 0.006 0.000 0.264 499 M C 0.210 176.062 176.300 -0.747 0.000 1.073 499 M CA 1.145 56.031 55.300 -0.689 0.000 1.111 499 M CB 0.014 31.939 32.600 -1.125 0.000 1.401 499 M HN 0.062 nan 8.290 nan 0.000 0.448 500 Y N -0.335 119.840 120.300 -0.207 0.000 2.669 500 Y HA 0.488 5.042 4.550 0.006 0.000 0.302 500 Y C 1.087 176.855 175.900 -0.220 0.000 1.000 500 Y CA -0.349 57.614 58.100 -0.228 0.000 1.222 500 Y CB 0.114 38.397 38.460 -0.294 0.000 1.209 500 Y HN 0.325 nan 8.280 nan 0.000 0.571 501 G N -0.251 108.484 108.800 -0.108 0.000 2.232 501 G HA2 -0.171 3.792 3.960 0.006 0.000 0.226 501 G HA3 -0.171 3.792 3.960 0.006 0.000 0.226 501 G C 0.547 175.328 174.900 -0.197 0.000 0.996 501 G CA -0.290 44.731 45.100 -0.132 0.000 0.626 501 G HN 0.678 nan 8.290 nan 0.000 0.509 502 A N 0.390 123.079 122.820 -0.217 0.000 2.445 502 A HA 0.655 4.978 4.320 0.006 0.000 0.242 502 A C 0.362 177.868 177.584 -0.131 0.000 1.075 502 A CA 0.776 52.697 52.037 -0.194 0.000 0.777 502 A CB 0.335 19.197 19.000 -0.230 0.000 1.013 502 A HN 0.512 nan 8.150 nan 0.000 0.493 503 K N 0.696 121.044 120.400 -0.087 0.000 2.422 503 K HA 0.577 4.900 4.320 0.006 0.000 0.251 503 K C -0.882 175.703 176.600 -0.026 0.000 0.933 503 K CA -0.596 55.655 56.287 -0.060 0.000 0.798 503 K CB 2.323 34.788 32.500 -0.058 0.000 1.238 503 K HN 0.608 nan 8.250 nan 0.000 0.428 504 K N 3.103 123.490 120.400 -0.021 0.000 3.218 504 K HA 0.140 4.464 4.320 0.006 0.000 0.187 504 K C -2.119 174.474 176.600 -0.012 0.000 1.186 504 K CA -0.968 55.316 56.287 -0.005 0.000 0.827 504 K CB 0.760 33.269 32.500 0.015 0.000 1.083 504 K HN 0.317 nan 8.250 nan 0.000 0.583 505 P HA -0.122 nan 4.420 nan 0.000 0.217 505 P C 0.381 177.675 177.300 -0.010 0.000 1.151 505 P CA 0.350 63.441 63.100 -0.015 0.000 0.828 505 P CB 0.394 32.086 31.700 -0.015 0.000 0.788 506 L N 1.424 122.640 121.223 -0.011 0.000 2.278 506 L HA 0.309 4.652 4.340 0.006 0.000 0.287 506 L C -0.081 176.787 176.870 -0.003 0.000 1.072 506 L CA -0.611 54.224 54.840 -0.008 0.000 0.819 506 L CB 0.006 42.055 42.059 -0.017 0.000 1.176 506 L HN -0.147 nan 8.230 nan 0.000 0.435 507 N N 2.754 121.455 118.700 0.001 0.000 2.455 507 N HA 0.208 4.952 4.740 0.006 0.000 0.280 507 N C -0.687 174.828 175.510 0.009 0.000 1.055 507 N CA -0.325 52.728 53.050 0.005 0.000 0.961 507 N CB 1.542 40.031 38.487 0.003 0.000 1.121 507 N HN 0.545 nan 8.380 nan 0.000 0.476 508 T N 2.400 116.962 114.554 0.012 0.000 3.243 508 T HA 0.273 4.627 4.350 0.006 0.000 0.245 508 T C 0.606 175.318 174.700 0.020 0.000 1.263 508 T CA -0.302 61.808 62.100 0.017 0.000 1.228 508 T CB -0.806 68.073 68.868 0.017 0.000 1.097 508 T HN 0.730 nan 8.240 nan 0.000 0.628 509 S N 1.994 117.705 115.700 0.018 0.000 3.232 509 S HA 0.480 4.953 4.470 0.006 0.000 0.298 509 S C 1.168 175.781 174.600 0.023 0.000 1.159 509 S CA -0.418 57.793 58.200 0.019 0.000 1.240 509 S CB -0.569 62.641 63.200 0.017 0.000 1.584 509 S HN 0.786 nan 8.310 nan 0.000 0.558 517 N N 1.473 120.196 118.700 0.037 0.000 2.937 517 N HA -0.144 4.599 4.740 0.006 0.000 0.248 517 N C -0.861 174.697 175.510 0.079 0.000 1.069 517 N CA 1.153 54.247 53.050 0.072 0.000 0.822 517 N CB -1.358 37.195 38.487 0.110 0.000 1.122 517 N HN 0.408 nan 8.380 nan 0.000 0.554 518 V N 1.081 121.018 119.914 0.039 0.000 2.370 518 V HA 0.361 4.484 4.120 0.006 0.000 0.283 518 V C 0.154 176.273 176.094 0.042 0.000 1.023 518 V CA -0.899 61.433 62.300 0.053 0.000 0.857 518 V CB 1.670 33.500 31.823 0.013 0.000 0.985 518 V HN 0.072 nan 8.190 nan 0.000 0.443 519 D N 5.223 125.652 120.400 0.049 0.000 2.256 519 D HA 0.414 5.058 4.640 0.006 0.000 0.250 519 D C -0.259 176.021 176.300 -0.032 0.000 1.093 519 D CA -0.005 54.005 54.000 0.017 0.000 0.882 519 D CB 1.991 42.809 40.800 0.030 0.000 1.185 519 D HN 0.453 nan 8.370 nan 0.000 0.437 520 M N 2.234 121.777 119.600 -0.096 0.000 2.326 520 M HA 0.294 4.778 4.480 0.006 0.000 0.306 520 M C -1.742 174.432 176.300 -0.210 0.000 1.054 520 M CA -0.545 54.583 55.300 -0.287 0.000 0.922 520 M CB 2.268 34.681 32.600 -0.312 0.000 1.632 520 M HN 0.181 nan 8.290 nan 0.000 0.436 521 D N 3.130 123.382 120.400 -0.246 0.000 2.636 521 D HA 0.738 5.381 4.640 0.006 0.000 0.275 521 D C -1.767 174.523 176.300 -0.016 0.000 1.130 521 D CA 0.077 54.023 54.000 -0.091 0.000 1.031 521 D CB 2.041 42.801 40.800 -0.066 0.000 1.451 521 D HN 0.502 nan 8.370 nan 0.000 0.505 522 F N -1.002 118.842 119.950 -0.176 0.000 2.686 522 F HA 0.784 5.315 4.527 0.006 0.000 0.311 522 F C -1.568 174.161 175.800 -0.117 0.000 1.128 522 F CA -0.839 57.055 58.000 -0.176 0.000 0.946 522 F CB 1.250 40.134 39.000 -0.194 0.000 1.336 522 F HN 0.076 nan 8.300 nan 0.000 0.457 523 E N 0.964 121.110 120.200 -0.089 0.000 2.314 523 E HA 0.686 5.039 4.350 0.006 0.000 0.272 523 E C -1.641 174.893 176.600 -0.109 0.000 0.884 523 E CA -0.912 55.376 56.400 -0.186 0.000 0.753 523 E CB 2.762 32.406 29.700 -0.094 0.000 1.213 523 E HN 0.627 nan 8.360 nan 0.000 0.432 524 V N 2.056 121.862 119.914 -0.180 0.000 2.487 524 V HA 0.307 4.430 4.120 0.006 0.000 0.298 524 V C -0.128 175.905 176.094 -0.103 0.000 1.028 524 V CA -0.999 61.206 62.300 -0.159 0.000 0.860 524 V CB 1.429 33.032 31.823 -0.368 0.000 0.991 524 V HN 0.727 nan 8.190 nan 0.000 0.427 525 E N 3.863 124.061 120.200 -0.003 0.000 2.354 525 E HA 0.209 4.563 4.350 0.006 0.000 0.269 525 E C -0.421 176.114 176.600 -0.109 0.000 1.036 525 E CA -0.488 55.905 56.400 -0.012 0.000 0.876 525 E CB 0.716 30.460 29.700 0.074 0.000 1.009 525 E HN 0.739 nan 8.360 nan 0.000 0.416 526 N N 1.178 119.815 118.700 -0.105 0.000 2.514 526 N HA 0.417 5.160 4.740 0.006 0.000 0.277 526 N C -1.061 174.396 175.510 -0.089 0.000 1.126 526 N CA -0.147 52.819 53.050 -0.139 0.000 0.978 526 N CB 1.493 39.916 38.487 -0.107 0.000 1.106 526 N HN 0.641 nan 8.380 nan 0.000 0.461 527 A N 1.419 124.171 122.820 -0.114 0.000 2.498 527 A HA 0.553 4.876 4.320 0.006 0.000 0.298 527 A C -0.600 176.989 177.584 0.009 0.000 1.075 527 A CA -0.675 51.362 52.037 -0.000 0.000 0.714 527 A CB 1.009 20.073 19.000 0.107 0.000 1.299 527 A HN 0.401 nan 8.150 nan 0.000 0.407 528 V N 1.715 121.665 119.914 0.060 0.000 2.686 528 V HA 0.152 4.276 4.120 0.006 0.000 0.295 528 V C 0.589 176.751 176.094 0.113 0.000 1.055 528 V CA -0.359 61.979 62.300 0.064 0.000 1.050 528 V CB 1.072 32.931 31.823 0.061 0.000 0.984 528 V HN 0.838 nan 8.190 nan 0.000 0.482 529 L N 4.800 126.086 121.223 0.105 0.000 2.667 529 L HA 0.343 4.687 4.340 0.006 0.000 0.278 529 L C 1.171 178.151 176.870 0.182 0.000 1.217 529 L CA 2.002 56.938 54.840 0.159 0.000 0.935 529 L CB -0.401 41.729 42.059 0.119 0.000 1.193 529 L HN 1.024 nan 8.230 nan 0.000 0.493 530 G N 2.438 111.400 108.800 0.270 0.000 2.195 530 G HA2 -0.193 3.770 3.960 0.006 0.000 0.224 530 G HA3 -0.193 3.770 3.960 0.006 0.000 0.224 530 G C 0.351 175.330 174.900 0.132 0.000 0.990 530 G CA 0.025 45.209 45.100 0.140 0.000 0.639 530 G HN 0.554 nan 8.290 nan 0.000 0.514 531 K N 1.078 121.613 120.400 0.224 0.000 2.139 531 K HA 0.554 4.877 4.320 0.006 0.000 0.243 531 K C -0.170 176.621 176.600 0.319 0.000 0.983 531 K CA -0.759 55.653 56.287 0.207 0.000 0.890 531 K CB 0.917 33.526 32.500 0.182 0.000 1.090 531 K HN 0.134 nan 8.250 nan 0.000 0.445 532 D N 0.830 121.359 120.400 0.215 0.000 2.377 532 D HA 0.391 5.034 4.640 0.006 0.000 0.245 532 D C 0.033 176.521 176.300 0.314 0.000 1.196 532 D CA 0.147 54.256 54.000 0.182 0.000 0.962 532 D CB 0.320 41.158 40.800 0.063 0.000 1.127 532 D HN 0.329 nan 8.370 nan 0.000 0.471 533 F N -2.522 117.531 119.950 0.172 0.000 2.668 533 F HA 0.523 5.053 4.527 0.006 0.000 0.309 533 F C -0.749 175.110 175.800 0.098 0.000 1.117 533 F CA -1.282 56.788 58.000 0.117 0.000 0.951 533 F CB 1.149 40.214 39.000 0.108 0.000 1.323 533 F HN -0.240 nan 8.300 nan 0.000 0.451 534 K N 2.018 122.570 120.400 0.252 0.000 2.110 534 K HA 0.660 4.983 4.320 0.006 0.000 0.263 534 K C -1.448 175.257 176.600 0.174 0.000 0.975 534 K CA -0.665 55.705 56.287 0.139 0.000 0.895 534 K CB 2.207 34.765 32.500 0.097 0.000 1.060 534 K HN 0.913 nan 8.250 nan 0.000 0.448 535 L N 0.839 122.123 121.223 0.102 0.000 2.410 535 L HA 0.424 4.768 4.340 0.006 0.000 0.270 535 L C -0.900 176.000 176.870 0.050 0.000 0.983 535 L CA -0.238 54.648 54.840 0.077 0.000 0.822 535 L CB 1.829 43.920 42.059 0.054 0.000 1.285 535 L HN 0.745 nan 8.230 nan 0.000 0.409 536 S N 4.715 120.441 115.700 0.043 0.000 2.536 536 S HA 0.703 5.176 4.470 0.006 0.000 0.287 536 S C -0.764 173.826 174.600 -0.017 0.000 1.101 536 S CA -0.784 57.416 58.200 0.000 0.000 0.950 536 S CB 1.645 64.852 63.200 0.012 0.000 1.056 536 S HN 0.535 nan 8.310 nan 0.000 0.481 537 I N 2.790 123.281 120.570 -0.131 0.000 2.412 537 I HA 0.475 4.649 4.170 0.006 0.000 0.296 537 I C 0.099 176.026 176.117 -0.317 0.000 0.987 537 I CA -0.545 60.605 61.300 -0.250 0.000 1.180 537 I CB 2.178 39.913 38.000 -0.442 0.000 1.340 537 I HN 0.886 nan 8.210 nan 0.000 0.455 538 T N 2.268 116.559 114.554 -0.437 0.000 2.829 538 T HA 0.686 5.040 4.350 0.006 0.000 0.280 538 T C -0.818 173.424 174.700 -0.764 0.000 0.999 538 T CA -0.614 61.193 62.100 -0.489 0.000 0.983 538 T CB 1.162 69.855 68.868 -0.292 0.000 0.968 538 T HN 0.191 nan 8.240 nan 0.000 0.446 539 F N 1.180 120.839 119.950 -0.485 0.000 2.507 539 F HA 0.628 5.158 4.527 0.006 0.000 0.325 539 F C 0.508 176.039 175.800 -0.448 0.000 1.116 539 F CA -1.071 56.717 58.000 -0.353 0.000 0.930 539 F CB 2.326 41.182 39.000 -0.241 0.000 1.146 539 F HN 0.505 nan 8.300 nan 0.000 0.447 540 R N 2.452 122.926 120.500 -0.043 0.000 2.409 540 R HA 0.343 4.686 4.340 0.006 0.000 0.313 540 R C -1.138 175.224 176.300 0.103 0.000 0.953 540 R CA -0.663 55.472 56.100 0.059 0.000 0.849 540 R CB 0.830 31.236 30.300 0.176 0.000 1.171 540 R HN 0.594 nan 8.270 nan 0.000 0.458 541 N N 3.249 122.012 118.700 0.105 0.000 2.437 541 N HA 0.106 4.850 4.740 0.006 0.000 0.243 541 N C -0.479 175.074 175.510 0.072 0.000 1.041 541 N CA -0.163 52.953 53.050 0.109 0.000 0.940 541 N CB 0.830 39.380 38.487 0.106 0.000 1.133 541 N HN 0.632 nan 8.380 nan 0.000 0.506 542 N N 0.686 119.431 118.700 0.074 0.000 2.336 542 N HA -0.039 4.704 4.740 0.006 0.000 0.189 542 N C 0.338 175.849 175.510 0.001 0.000 1.113 542 N CA -0.059 53.010 53.050 0.032 0.000 0.858 542 N CB 0.368 38.887 38.487 0.053 0.000 0.970 542 N HN 0.529 nan 8.380 nan 0.000 0.471 543 S N -0.001 115.721 115.700 0.037 0.000 2.713 543 S HA 0.198 4.671 4.470 0.006 0.000 0.277 543 S C 0.594 175.132 174.600 -0.103 0.000 1.168 543 S CA -0.420 57.809 58.200 0.049 0.000 0.994 543 S CB 1.035 64.322 63.200 0.146 0.000 1.054 543 S HN 0.188 nan 8.310 nan 0.000 0.555 544 H N 0.923 119.984 119.070 -0.015 0.000 2.542 544 H HA 0.312 4.872 4.556 0.006 0.000 0.283 544 H C 0.015 175.291 175.328 -0.086 0.000 1.059 544 H CA -0.270 55.757 56.048 -0.035 0.000 1.162 544 H CB -0.096 29.654 29.762 -0.019 0.000 1.539 544 H HN 0.691 nan 8.280 nan 0.000 0.543 545 N N 0.752 119.398 118.700 -0.089 0.000 2.380 545 N HA 0.222 4.966 4.740 0.006 0.000 0.290 545 N C -0.324 174.922 175.510 -0.440 0.000 1.236 545 N CA -0.852 52.062 53.050 -0.228 0.000 0.780 545 N CB 2.400 40.748 38.487 -0.232 0.000 1.438 545 N HN 0.117 nan 8.380 nan 0.000 0.491 546 R N -0.189 120.070 120.500 -0.403 0.000 2.486 546 R HA 0.459 4.803 4.340 0.006 0.000 0.286 546 R C -1.484 174.549 176.300 -0.446 0.000 0.999 546 R CA -0.433 55.469 56.100 -0.330 0.000 0.993 546 R CB 0.682 30.890 30.300 -0.154 0.000 1.084 546 R HN 0.533 nan 8.270 nan 0.000 0.487 547 Y N 0.221 120.495 120.300 -0.043 0.000 2.477 547 Y HA 0.302 4.855 4.550 0.006 0.000 0.347 547 Y C -0.178 175.673 175.900 -0.080 0.000 0.981 547 Y CA -0.942 57.126 58.100 -0.053 0.000 1.033 547 Y CB 2.667 41.093 38.460 -0.058 0.000 1.245 547 Y HN 0.770 nan 8.280 nan 0.000 0.455 548 T N 1.364 115.989 114.554 0.118 0.000 2.758 548 T HA 0.813 5.166 4.350 0.006 0.000 0.285 548 T C -0.575 174.108 174.700 -0.028 0.000 0.981 548 T CA -0.480 61.627 62.100 0.011 0.000 0.965 548 T CB 0.287 69.156 68.868 0.001 0.000 0.927 548 T HN 0.459 nan 8.240 nan 0.000 0.448 549 I N 2.690 123.195 120.570 -0.109 0.000 2.530 549 I HA 0.377 4.550 4.170 0.006 0.000 0.297 549 I C -0.011 176.009 176.117 -0.162 0.000 1.011 549 I CA -0.912 60.294 61.300 -0.156 0.000 1.107 549 I CB 2.476 40.308 38.000 -0.279 0.000 1.285 549 I HN 0.646 nan 8.210 nan 0.000 0.436 550 T N 5.080 119.546 114.554 -0.147 0.000 2.756 550 T HA 0.659 5.012 4.350 0.006 0.000 0.290 550 T C -0.244 174.225 174.700 -0.386 0.000 0.985 550 T CA -0.522 61.434 62.100 -0.239 0.000 0.955 550 T CB 1.256 70.005 68.868 -0.198 0.000 0.930 550 T HN 0.646 nan 8.240 nan 0.000 0.451 551 A N 3.435 126.033 122.820 -0.370 0.000 2.350 551 A HA 0.820 5.143 4.320 0.006 0.000 0.324 551 A C -1.511 175.864 177.584 -0.348 0.000 1.118 551 A CA -0.785 51.109 52.037 -0.237 0.000 0.783 551 A CB 0.873 19.920 19.000 0.079 0.000 1.236 551 A HN 0.798 nan 8.150 nan 0.000 0.457 552 Y N 1.124 121.524 120.300 0.168 0.000 2.350 552 Y HA 0.505 5.059 4.550 0.006 0.000 0.338 552 Y C -0.137 175.850 175.900 0.145 0.000 0.961 552 Y CA -0.682 57.506 58.100 0.148 0.000 1.100 552 Y CB 1.819 40.317 38.460 0.064 0.000 1.179 552 Y HN 0.598 nan 8.280 nan 0.000 0.454 553 L N 3.457 124.879 121.223 0.333 0.000 2.272 553 L HA 0.561 4.904 4.340 0.006 0.000 0.289 553 L C -0.503 176.474 176.870 0.178 0.000 1.032 553 L CA -0.194 54.784 54.840 0.229 0.000 0.810 553 L CB 1.196 43.445 42.059 0.316 0.000 1.205 553 L HN 0.689 nan 8.230 nan 0.000 0.422 554 S N 4.292 120.101 115.700 0.181 0.000 2.605 554 S HA 0.794 5.267 4.470 0.006 0.000 0.308 554 S C -0.714 173.953 174.600 0.112 0.000 1.113 554 S CA -0.435 57.855 58.200 0.149 0.000 1.049 554 S CB 1.407 64.731 63.200 0.207 0.000 1.001 554 S HN 0.754 nan 8.310 nan 0.000 0.480 555 A N 5.153 127.913 122.820 -0.100 0.000 2.335 555 A HA 0.728 5.051 4.320 0.006 0.000 0.304 555 A C -0.597 176.739 177.584 -0.413 0.000 1.118 555 A CA -0.825 50.990 52.037 -0.370 0.000 0.757 555 A CB 0.831 19.525 19.000 -0.509 0.000 1.188 555 A HN 0.822 nan 8.150 nan 0.000 0.460 556 N N 1.930 120.586 118.700 -0.073 0.000 2.272 556 N HA 0.392 5.136 4.740 0.006 0.000 0.305 556 N C -0.822 174.894 175.510 0.343 0.000 1.103 556 N CA -0.624 52.548 53.050 0.203 0.000 0.791 556 N CB 1.714 40.304 38.487 0.173 0.000 1.356 556 N HN 0.462 nan 8.380 nan 0.000 0.486 557 I N 1.865 122.657 120.570 0.369 0.000 2.471 557 I HA 0.075 4.249 4.170 0.006 0.000 0.286 557 I C 1.212 177.420 176.117 0.153 0.000 1.079 557 I CA 0.299 61.716 61.300 0.196 0.000 1.398 557 I CB -0.203 37.898 38.000 0.169 0.000 1.403 557 I HN 0.555 nan 8.210 nan 0.000 0.530 558 T N 3.289 117.918 114.554 0.124 0.000 2.887 558 T HA 0.575 4.929 4.350 0.006 0.000 0.292 558 T C -0.457 174.343 174.700 0.166 0.000 1.087 558 T CA -0.667 61.513 62.100 0.132 0.000 1.009 558 T CB 1.932 70.860 68.868 0.100 0.000 1.203 558 T HN 0.142 nan 8.240 nan 0.000 0.518 559 F N 1.498 121.449 119.950 0.002 0.000 2.370 559 F HA 0.382 4.912 4.527 0.005 0.000 0.319 559 F C 1.576 177.383 175.800 0.012 0.000 1.129 559 F CA -1.067 56.946 58.000 0.022 0.000 1.109 559 F CB 0.852 39.837 39.000 -0.024 0.000 1.262 559 F HN 0.803 nan 8.300 nan 0.000 0.534 560 Y N -0.476 119.663 120.300 -0.269 0.000 2.403 560 Y HA -0.092 4.462 4.550 0.007 0.000 0.291 560 Y C 1.945 177.722 175.900 -0.204 0.000 1.143 560 Y CA 1.180 59.174 58.100 -0.177 0.000 1.257 560 Y CB -2.277 36.042 38.460 -0.235 0.000 0.984 560 Y HN 0.480 nan 8.280 nan 0.000 0.550 561 T N -3.076 110.951 114.554 -0.879 0.000 3.155 561 T HA 0.277 4.630 4.350 0.006 0.000 0.264 561 T C 1.827 176.198 174.700 -0.548 0.000 1.160 561 T CA 0.714 62.028 62.100 -1.311 0.000 1.075 561 T CB -0.894 67.014 68.868 -1.599 0.000 0.921 561 T HN 0.960 nan 8.240 nan 0.000 0.533 562 G N 0.456 109.143 108.800 -0.187 0.000 2.225 562 G HA2 -0.272 3.692 3.960 0.006 0.000 0.254 562 G HA3 -0.272 3.692 3.960 0.006 0.000 0.254 562 G C 0.146 174.999 174.900 -0.078 0.000 0.988 562 G CA -0.081 44.973 45.100 -0.076 0.000 0.625 562 G HN 0.732 nan 8.290 nan 0.000 0.527 563 V N 3.925 123.785 119.914 -0.089 0.000 2.485 563 V HA 0.373 4.497 4.120 0.006 0.000 0.287 563 V C -1.137 174.964 176.094 0.013 0.000 1.022 563 V CA -0.433 61.832 62.300 -0.057 0.000 1.067 563 V CB 0.961 32.713 31.823 -0.118 0.000 0.967 563 V HN 0.335 nan 8.190 nan 0.000 0.479 564 P HA 0.303 nan 4.420 nan 0.000 0.290 564 P C -0.036 177.304 177.300 0.067 0.000 1.276 564 P CA -0.578 62.561 63.100 0.065 0.000 0.808 564 P CB 2.095 33.842 31.700 0.079 0.000 0.966 565 K N 2.389 122.845 120.400 0.095 0.000 2.190 565 K HA 0.344 4.668 4.320 0.006 0.000 0.202 565 K C 0.180 176.837 176.600 0.094 0.000 1.045 565 K CA 0.575 56.913 56.287 0.086 0.000 0.976 565 K CB 0.136 32.700 32.500 0.107 0.000 0.849 565 K HN 0.605 nan 8.250 nan 0.000 0.468 566 A N 0.617 123.515 122.820 0.130 0.000 2.594 566 A HA 0.334 4.658 4.320 0.006 0.000 0.296 566 A C -1.531 176.160 177.584 0.178 0.000 1.061 566 A CA -0.656 51.464 52.037 0.137 0.000 0.689 566 A CB 0.916 20.000 19.000 0.139 0.000 1.280 566 A HN 0.148 nan 8.150 nan 0.000 0.406 567 E N 1.439 121.717 120.200 0.129 0.000 2.159 567 E HA 0.297 4.651 4.350 0.006 0.000 0.272 567 E C 0.209 176.877 176.600 0.113 0.000 1.138 567 E CA -0.173 56.279 56.400 0.088 0.000 0.915 567 E CB 0.043 29.770 29.700 0.045 0.000 1.028 567 E HN 0.597 nan 8.360 nan 0.000 0.423 568 F N 3.809 123.820 119.950 0.101 0.000 2.698 568 F HA 0.356 4.887 4.527 0.006 0.000 0.295 568 F C 0.264 176.136 175.800 0.121 0.000 1.124 568 F CA -0.426 57.643 58.000 0.115 0.000 1.426 568 F CB 0.377 39.470 39.000 0.154 0.000 1.120 568 F HN 0.106 nan 8.300 nan 0.000 0.583 569 K N 1.720 121.836 120.400 -0.473 0.000 2.543 569 K HA 0.367 4.691 4.320 0.006 0.000 0.255 569 K C -1.629 174.865 176.600 -0.177 0.000 0.934 569 K CA -0.868 55.246 56.287 -0.287 0.000 0.810 569 K CB 1.542 33.850 32.500 -0.320 0.000 1.315 569 K HN 0.073 nan 8.250 nan 0.000 0.433 570 K N 2.626 122.988 120.400 -0.064 0.000 2.523 570 K HA 0.481 4.804 4.320 0.006 0.000 0.257 570 K C -1.685 174.904 176.600 -0.019 0.000 0.932 570 K CA -0.703 55.576 56.287 -0.014 0.000 0.812 570 K CB 2.118 34.618 32.500 -0.000 0.000 1.326 570 K HN 0.734 nan 8.250 nan 0.000 0.433 571 E N 0.889 121.085 120.200 -0.006 0.000 2.375 571 E HA 0.284 4.637 4.350 0.006 0.000 0.280 571 E C -1.789 174.682 176.600 -0.216 0.000 0.972 571 E CA -0.451 55.846 56.400 -0.170 0.000 0.782 571 E CB 2.180 31.712 29.700 -0.280 0.000 1.229 571 E HN 0.736 nan 8.360 nan 0.000 0.439 572 T N 2.473 116.811 114.554 -0.360 0.000 2.829 572 T HA 0.687 5.040 4.350 0.006 0.000 0.280 572 T C -1.474 172.922 174.700 -0.506 0.000 0.999 572 T CA -0.427 61.498 62.100 -0.292 0.000 0.983 572 T CB 0.334 69.169 68.868 -0.055 0.000 0.968 572 T HN 0.281 nan 8.240 nan 0.000 0.446 573 F N 2.646 122.487 119.950 -0.182 0.000 2.493 573 F HA 0.427 4.957 4.527 0.006 0.000 0.329 573 F C 0.275 175.965 175.800 -0.183 0.000 1.126 573 F CA -1.126 56.793 58.000 -0.135 0.000 0.937 573 F CB 1.700 40.650 39.000 -0.084 0.000 1.146 573 F HN 0.442 nan 8.300 nan 0.000 0.442 574 D N 3.539 123.944 120.400 0.008 0.000 2.359 574 D HA 0.381 5.024 4.640 0.006 0.000 0.230 574 D C -0.679 175.580 176.300 -0.068 0.000 1.118 574 D CA 0.099 54.066 54.000 -0.055 0.000 0.844 574 D CB 2.166 42.934 40.800 -0.052 0.000 1.059 574 D HN 0.157 nan 8.370 nan 0.000 0.493 575 V N 2.474 122.299 119.914 -0.149 0.000 2.495 575 V HA 0.353 4.476 4.120 0.006 0.000 0.298 575 V C 0.466 176.448 176.094 -0.187 0.000 1.031 575 V CA -0.524 61.641 62.300 -0.226 0.000 0.871 575 V CB 2.175 33.692 31.823 -0.510 0.000 0.988 575 V HN 0.424 nan 8.190 nan 0.000 0.432 576 T N 5.987 120.459 114.554 -0.136 0.000 2.823 576 T HA 0.666 5.019 4.350 0.006 0.000 0.279 576 T C -0.542 174.098 174.700 -0.100 0.000 0.998 576 T CA -0.308 61.736 62.100 -0.093 0.000 0.994 576 T CB 1.094 69.929 68.868 -0.056 0.000 0.960 576 T HN 0.362 nan 8.240 nan 0.000 0.448 577 L N 3.427 124.611 121.223 -0.065 0.000 2.325 577 L HA 0.427 4.771 4.340 0.006 0.000 0.281 577 L C 0.237 177.089 176.870 -0.030 0.000 1.004 577 L CA -0.958 53.857 54.840 -0.042 0.000 0.823 577 L CB 1.448 43.504 42.059 -0.006 0.000 1.236 577 L HN 0.523 nan 8.230 nan 0.000 0.415 578 E N 3.707 123.889 120.200 -0.029 0.000 2.371 578 E HA 0.281 4.635 4.350 0.006 0.000 0.257 578 E C -2.322 174.252 176.600 -0.044 0.000 1.134 578 E CA -2.051 54.326 56.400 -0.039 0.000 0.919 578 E CB 0.094 29.781 29.700 -0.022 0.000 1.025 578 E HN 0.233 nan 8.360 nan 0.000 0.438 579 P HA -0.071 nan 4.420 nan 0.000 0.265 579 P C -0.145 177.110 177.300 -0.075 0.000 1.187 579 P CA 0.011 63.060 63.100 -0.085 0.000 0.766 579 P CB 0.302 31.958 31.700 -0.073 0.000 0.820 580 L N -0.461 120.699 121.223 -0.105 0.000 3.660 580 L HA -0.211 4.133 4.340 0.006 0.000 0.440 580 L C 0.398 177.269 176.870 0.001 0.000 1.262 580 L CA 1.239 56.028 54.840 -0.085 0.000 0.837 580 L CB -3.295 38.680 42.059 -0.140 0.000 1.689 580 L HN 0.588 nan 8.230 nan 0.000 0.890 581 S N -1.494 114.231 115.700 0.041 0.000 2.634 581 S HA 0.865 5.339 4.470 0.006 0.000 0.296 581 S C -0.862 173.840 174.600 0.170 0.000 1.104 581 S CA -0.815 57.438 58.200 0.088 0.000 0.920 581 S CB 3.290 66.519 63.200 0.049 0.000 1.111 581 S HN 0.171 nan 8.310 nan 0.000 0.493 582 F N 1.109 121.077 119.950 0.030 0.000 2.539 582 F HA 0.725 5.255 4.527 0.006 0.000 0.318 582 F C -0.575 175.260 175.800 0.058 0.000 1.135 582 F CA -0.457 57.572 58.000 0.048 0.000 0.915 582 F CB 1.680 40.697 39.000 0.029 0.000 1.176 582 F HN 0.878 nan 8.300 nan 0.000 0.440 583 K N 5.972 126.196 120.400 -0.294 0.000 2.482 583 K HA 0.429 4.752 4.320 0.006 0.000 0.251 583 K C -1.810 174.673 176.600 -0.195 0.000 0.936 583 K CA -0.853 55.372 56.287 -0.105 0.000 0.791 583 K CB 1.797 34.279 32.500 -0.030 0.000 1.213 583 K HN 0.721 nan 8.250 nan 0.000 0.428 584 K N 3.117 123.492 120.400 -0.042 0.000 2.270 584 K HA 0.289 4.613 4.320 0.006 0.000 0.255 584 K C -1.128 175.479 176.600 0.011 0.000 0.936 584 K CA -0.584 55.686 56.287 -0.028 0.000 0.809 584 K CB 1.320 33.865 32.500 0.075 0.000 1.131 584 K HN 0.546 nan 8.250 nan 0.000 0.427 585 E N 1.845 122.031 120.200 -0.022 0.000 2.238 585 E HA 0.555 4.909 4.350 0.006 0.000 0.267 585 E C -1.306 175.272 176.600 -0.036 0.000 0.887 585 E CA -1.097 55.290 56.400 -0.022 0.000 0.769 585 E CB 2.131 31.786 29.700 -0.075 0.000 1.187 585 E HN 0.643 nan 8.360 nan 0.000 0.416 586 A N 1.339 124.175 122.820 0.025 0.000 2.401 586 A HA 0.738 5.062 4.320 0.006 0.000 0.310 586 A C -0.557 177.083 177.584 0.093 0.000 1.075 586 A CA -0.747 51.314 52.037 0.039 0.000 0.746 586 A CB 1.467 20.494 19.000 0.045 0.000 1.277 586 A HN 0.408 nan 8.150 nan 0.000 0.425 587 V N -0.382 119.590 119.914 0.096 0.000 2.925 587 V HA 0.813 4.937 4.120 0.006 0.000 0.311 587 V C -0.912 175.217 176.094 0.058 0.000 1.104 587 V CA -0.899 61.469 62.300 0.113 0.000 0.954 587 V CB 1.465 33.402 31.823 0.190 0.000 1.022 587 V HN 1.097 nan 8.190 nan 0.000 0.427 588 L N 3.863 125.106 121.223 0.033 0.000 2.275 588 L HA 0.700 5.044 4.340 0.006 0.000 0.288 588 L C -0.579 176.253 176.870 -0.064 0.000 1.046 588 L CA 0.029 54.861 54.840 -0.013 0.000 0.805 588 L CB 0.818 42.877 42.059 -0.000 0.000 1.193 588 L HN 0.674 nan 8.230 nan 0.000 0.426 589 I N 4.704 125.143 120.570 -0.219 0.000 2.331 589 I HA 0.317 4.491 4.170 0.006 0.000 0.292 589 I C 0.174 176.152 176.117 -0.233 0.000 0.998 589 I CA 0.012 61.145 61.300 -0.279 0.000 1.267 589 I CB 1.264 38.913 38.000 -0.584 0.000 1.386 589 I HN 0.603 nan 8.210 nan 0.000 0.476 590 Q N 3.936 123.699 119.800 -0.062 0.000 2.227 590 Q HA 0.476 4.820 4.340 0.006 0.000 0.245 590 Q C 1.052 177.006 176.000 -0.077 0.000 0.926 590 Q CA -0.433 55.343 55.803 -0.045 0.000 0.895 590 Q CB 1.569 30.291 28.738 -0.026 0.000 1.230 590 Q HN 0.827 nan 8.270 nan 0.000 0.450 591 A N 2.060 124.803 122.820 -0.129 0.000 1.940 591 A HA -0.165 4.158 4.320 0.006 0.000 0.219 591 A C 1.859 179.110 177.584 -0.555 0.000 1.176 591 A CA 2.010 53.795 52.037 -0.420 0.000 0.631 591 A CB -1.036 17.829 19.000 -0.225 0.000 0.814 591 A HN 0.948 nan 8.150 nan 0.000 0.446 592 G N -0.801 107.848 108.800 -0.252 0.000 2.509 592 G HA2 -0.115 3.849 3.960 0.006 0.000 0.218 592 G HA3 -0.115 3.849 3.960 0.006 0.000 0.218 592 G C 1.276 176.117 174.900 -0.099 0.000 1.124 592 G CA 0.788 45.789 45.100 -0.165 0.000 0.776 592 G HN 0.696 nan 8.290 nan 0.000 0.547 593 E N -0.815 119.362 120.200 -0.038 0.000 2.274 593 E HA -0.068 4.285 4.350 0.006 0.000 0.194 593 E C 1.781 178.503 176.600 0.203 0.000 0.996 593 E CA 1.034 57.529 56.400 0.159 0.000 0.840 593 E CB -0.056 29.833 29.700 0.315 0.000 0.772 593 E HN 0.853 nan 8.360 nan 0.000 0.491 594 Y N -3.238 117.033 120.300 -0.048 0.000 2.512 594 Y HA 0.280 4.833 4.550 0.005 0.000 0.268 594 Y C 1.858 177.689 175.900 -0.116 0.000 1.102 594 Y CA -0.312 57.624 58.100 -0.272 0.000 1.261 594 Y CB -0.165 37.935 38.460 -0.600 0.000 1.250 594 Y HN -0.184 nan 8.280 nan 0.000 0.506 595 M N 1.603 120.988 119.600 -0.358 0.000 2.195 595 M HA -0.040 4.443 4.480 0.006 0.000 0.260 595 M C 1.827 178.113 176.300 -0.022 0.000 1.066 595 M CA 1.625 56.811 55.300 -0.190 0.000 1.089 595 M CB -1.450 30.977 32.600 -0.288 0.000 1.377 595 M HN 0.613 nan 8.290 nan 0.000 0.411 596 G N -0.996 107.799 108.800 -0.008 0.000 3.141 596 G HA2 0.004 3.968 3.960 0.006 0.000 0.218 596 G HA3 0.004 3.968 3.960 0.006 0.000 0.218 596 G C 1.180 176.109 174.900 0.048 0.000 1.170 596 G CA -0.087 45.027 45.100 0.024 0.000 0.769 596 G HN 0.575 nan 8.290 nan 0.000 0.546 597 Q N -0.401 119.437 119.800 0.063 0.000 2.189 597 Q HA 0.314 4.658 4.340 0.006 0.000 0.223 597 Q C 0.387 176.432 176.000 0.075 0.000 0.828 597 Q CA -0.339 55.508 55.803 0.073 0.000 0.967 597 Q CB 0.870 29.661 28.738 0.088 0.000 1.139 597 Q HN 0.314 nan 8.270 nan 0.000 0.497 598 L N 1.952 123.222 121.223 0.077 0.000 2.485 598 L HA 0.081 4.425 4.340 0.006 0.000 0.275 598 L C 0.179 177.090 176.870 0.068 0.000 1.207 598 L CA 0.066 54.942 54.840 0.060 0.000 0.855 598 L CB 0.230 42.331 42.059 0.069 0.000 1.114 598 L HN 0.106 nan 8.230 nan 0.000 0.485 599 L N 2.036 123.300 121.223 0.069 0.000 2.454 599 L HA 0.224 4.567 4.340 0.006 0.000 0.256 599 L C 0.699 177.573 176.870 0.006 0.000 1.136 599 L CA -0.673 54.221 54.840 0.091 0.000 0.804 599 L CB 0.624 42.796 42.059 0.189 0.000 1.181 599 L HN 0.639 nan 8.230 nan 0.000 0.469 600 E N 1.104 121.306 120.200 0.004 0.000 2.534 600 E HA -0.117 4.236 4.350 0.006 0.000 0.264 600 E C -0.375 176.055 176.600 -0.282 0.000 0.981 600 E CA 0.106 56.452 56.400 -0.090 0.000 0.948 600 E CB 0.338 30.040 29.700 0.002 0.000 0.934 600 E HN 0.653 nan 8.360 nan 0.000 0.459 601 Q N 1.136 120.748 119.800 -0.312 0.000 2.340 601 Q HA -0.302 4.042 4.340 0.006 0.000 0.174 601 Q C 0.435 176.361 176.000 -0.123 0.000 0.585 601 Q CA 0.668 56.257 55.803 -0.358 0.000 1.358 601 Q CB -2.102 26.319 28.738 -0.529 0.000 1.286 601 Q HN 1.386 nan 8.270 nan 0.000 0.940 602 A N -0.056 122.712 122.820 -0.087 0.000 2.687 602 A HA -0.221 4.102 4.320 0.006 0.000 0.299 602 A C 0.233 177.779 177.584 -0.062 0.000 1.497 602 A CA 1.231 53.234 52.037 -0.057 0.000 0.751 602 A CB -1.646 17.333 19.000 -0.035 0.000 1.048 602 A HN 0.534 nan 8.150 nan 0.000 0.464 603 S N 0.008 115.689 115.700 -0.032 0.000 2.585 603 S HA 0.792 5.266 4.470 0.006 0.000 0.277 603 S C -0.091 174.516 174.600 0.012 0.000 1.241 603 S CA -0.706 57.505 58.200 0.018 0.000 1.041 603 S CB 1.449 64.696 63.200 0.078 0.000 0.987 603 S HN 0.531 nan 8.310 nan 0.000 0.512 604 L N 2.490 123.730 121.223 0.029 0.000 2.388 604 L HA 0.526 4.870 4.340 0.006 0.000 0.264 604 L C -0.211 176.632 176.870 -0.045 0.000 0.998 604 L CA -0.392 54.440 54.840 -0.015 0.000 0.817 604 L CB 1.614 43.659 42.059 -0.022 0.000 1.338 604 L HN 0.783 nan 8.230 nan 0.000 0.414 605 H N 1.966 120.841 119.070 -0.325 0.000 2.637 605 H HA 0.554 5.114 4.556 0.006 0.000 0.363 605 H C -1.779 173.182 175.328 -0.613 0.000 1.131 605 H CA -0.413 55.448 56.048 -0.311 0.000 1.183 605 H CB 1.951 31.629 29.762 -0.140 0.000 1.637 605 H HN 0.350 nan 8.280 nan 0.000 0.531 606 F N 4.308 123.898 119.950 -0.600 0.000 2.507 606 F HA 0.326 4.856 4.527 0.006 0.000 0.328 606 F C -0.812 174.757 175.800 -0.385 0.000 1.136 606 F CA -0.673 57.198 58.000 -0.215 0.000 0.930 606 F CB 1.049 40.175 39.000 0.210 0.000 1.166 606 F HN 0.315 nan 8.300 nan 0.000 0.436 607 F N 2.625 122.624 119.950 0.081 0.000 2.420 607 F HA 0.621 5.152 4.527 0.006 0.000 0.342 607 F C -0.209 175.540 175.800 -0.085 0.000 1.113 607 F CA -1.098 56.958 58.000 0.094 0.000 1.059 607 F CB 1.661 40.754 39.000 0.155 0.000 1.128 607 F HN 0.028 nan 8.300 nan 0.000 0.475 608 V N 2.982 122.884 119.914 -0.020 0.000 2.334 608 V HA 0.504 4.627 4.120 0.006 0.000 0.281 608 V C -0.236 175.869 176.094 0.017 0.000 1.016 608 V CA -0.585 61.602 62.300 -0.188 0.000 0.832 608 V CB 1.426 32.855 31.823 -0.657 0.000 0.999 608 V HN 0.867 nan 8.190 nan 0.000 0.439 609 T N 1.892 116.504 114.554 0.097 0.000 2.908 609 T HA 0.949 5.303 4.350 0.006 0.000 0.290 609 T C -0.496 174.291 174.700 0.144 0.000 1.034 609 T CA -0.684 61.471 62.100 0.092 0.000 1.010 609 T CB 2.403 71.327 68.868 0.092 0.000 1.068 609 T HN 1.117 nan 8.240 nan 0.000 0.481 610 A N 1.310 124.189 122.820 0.099 0.000 2.566 610 A HA 0.797 5.120 4.320 0.006 0.000 0.297 610 A C -0.971 176.649 177.584 0.059 0.000 1.059 610 A CA -1.042 51.046 52.037 0.085 0.000 0.691 610 A CB 1.767 20.820 19.000 0.087 0.000 1.282 610 A HN 0.884 nan 8.150 nan 0.000 0.401 611 R N 1.568 122.102 120.500 0.057 0.000 2.338 611 R HA 0.659 5.002 4.340 0.006 0.000 0.317 611 R C -1.091 175.190 176.300 -0.032 0.000 0.968 611 R CA -0.493 55.623 56.100 0.027 0.000 0.849 611 R CB 0.449 30.794 30.300 0.076 0.000 1.128 611 R HN 0.626 nan 8.270 nan 0.000 0.448 612 I N 5.050 125.575 120.570 -0.074 0.000 2.379 612 I HA 0.063 4.236 4.170 0.006 0.000 0.290 612 I C 0.651 176.727 176.117 -0.069 0.000 1.063 612 I CA -0.364 60.856 61.300 -0.133 0.000 1.351 612 I CB 1.128 38.949 38.000 -0.298 0.000 1.410 612 I HN 0.678 nan 8.210 nan 0.000 0.505 613 N N 4.426 123.114 118.700 -0.020 0.000 2.188 613 N HA -0.146 4.598 4.740 0.006 0.000 0.184 613 N C 1.434 176.968 175.510 0.040 0.000 1.018 613 N CA 1.240 54.299 53.050 0.015 0.000 0.858 613 N CB 0.079 38.580 38.487 0.023 0.000 0.989 613 N HN 0.546 nan 8.380 nan 0.000 0.426 614 E N -0.476 119.778 120.200 0.090 0.000 2.077 614 E HA -0.082 4.272 4.350 0.006 0.000 0.193 614 E C 1.827 178.481 176.600 0.091 0.000 0.989 614 E CA 1.638 58.119 56.400 0.135 0.000 0.800 614 E CB -0.259 29.622 29.700 0.301 0.000 0.746 614 E HN 0.571 nan 8.360 nan 0.000 0.452 615 T N -3.918 110.659 114.554 0.037 0.000 3.003 615 T HA 0.307 4.660 4.350 0.006 0.000 0.261 615 T C 0.658 175.353 174.700 -0.009 0.000 1.003 615 T CA -0.066 62.043 62.100 0.015 0.000 0.917 615 T CB 0.243 69.096 68.868 -0.025 0.000 1.084 615 T HN 0.037 nan 8.240 nan 0.000 0.522 616 R N 0.898 121.388 120.500 -0.017 0.000 4.000 616 R HA -0.121 4.222 4.340 0.006 0.000 0.362 616 R C -1.054 175.234 176.300 -0.021 0.000 1.183 616 R CA 0.974 57.068 56.100 -0.010 0.000 1.011 616 R CB -2.259 28.046 30.300 0.008 0.000 1.501 616 R HN 0.459 nan 8.270 nan 0.000 0.553 617 D N -0.293 120.075 120.400 -0.053 0.000 2.390 617 D HA 0.198 4.841 4.640 0.006 0.000 0.236 617 D C 0.117 176.389 176.300 -0.046 0.000 1.189 617 D CA 0.260 54.227 54.000 -0.055 0.000 0.887 617 D CB 0.687 41.431 40.800 -0.092 0.000 1.198 617 D HN -0.122 nan 8.370 nan 0.000 0.444 618 V N 2.158 122.052 119.914 -0.034 0.000 2.459 618 V HA 0.386 4.509 4.120 0.006 0.000 0.295 618 V C 0.028 176.083 176.094 -0.065 0.000 1.029 618 V CA -0.716 61.563 62.300 -0.034 0.000 0.874 618 V CB 1.337 33.147 31.823 -0.021 0.000 0.985 618 V HN 0.298 nan 8.190 nan 0.000 0.438 619 L N 3.988 125.174 121.223 -0.062 0.000 2.334 619 L HA 0.985 5.329 4.340 0.006 0.000 0.273 619 L C -0.045 176.733 176.870 -0.153 0.000 1.013 619 L CA -0.537 54.252 54.840 -0.086 0.000 0.816 619 L CB 1.943 43.991 42.059 -0.020 0.000 1.278 619 L HN 0.748 nan 8.230 nan 0.000 0.431 620 A N 2.491 125.165 122.820 -0.244 0.000 2.566 620 A HA 0.811 5.135 4.320 0.006 0.000 0.297 620 A C -1.390 176.069 177.584 -0.208 0.000 1.059 620 A CA -0.593 51.235 52.037 -0.347 0.000 0.691 620 A CB 2.108 20.541 19.000 -0.944 0.000 1.282 620 A HN 0.562 nan 8.150 nan 0.000 0.401 621 K N 0.605 121.019 120.400 0.023 0.000 2.546 621 K HA 0.631 4.954 4.320 0.006 0.000 0.264 621 K C -1.306 175.510 176.600 0.359 0.000 0.937 621 K CA -0.173 56.223 56.287 0.183 0.000 0.833 621 K CB 1.898 34.549 32.500 0.251 0.000 1.378 621 K HN 0.793 nan 8.250 nan 0.000 0.432 622 Q N 1.847 121.783 119.800 0.225 0.000 2.423 622 Q HA 0.609 4.953 4.340 0.006 0.000 0.278 622 Q C -1.135 174.880 176.000 0.025 0.000 1.097 622 Q CA -1.343 54.526 55.803 0.110 0.000 0.809 622 Q CB 2.373 31.046 28.738 -0.109 0.000 1.391 622 Q HN 0.264 nan 8.270 nan 0.000 0.428 623 K N 0.716 121.119 120.400 0.005 0.000 2.551 623 K HA 0.586 4.910 4.320 0.006 0.000 0.269 623 K C -1.363 175.370 176.600 0.222 0.000 0.949 623 K CA -0.616 55.688 56.287 0.029 0.000 0.849 623 K CB 2.382 34.676 32.500 -0.345 0.000 1.411 623 K HN 0.558 nan 8.250 nan 0.000 0.432 624 S N 0.073 115.989 115.700 0.360 0.000 2.536 624 S HA 0.689 5.163 4.470 0.006 0.000 0.298 624 S C -0.764 174.004 174.600 0.279 0.000 1.083 624 S CA -0.497 57.941 58.200 0.397 0.000 0.995 624 S CB 2.033 65.529 63.200 0.493 0.000 1.058 624 S HN 0.489 nan 8.310 nan 0.000 0.488 625 T N 1.670 116.391 114.554 0.278 0.000 2.903 625 T HA 0.688 5.042 4.350 0.006 0.000 0.299 625 T C -1.082 173.649 174.700 0.051 0.000 1.093 625 T CA -0.552 61.618 62.100 0.118 0.000 1.002 625 T CB 1.370 70.328 68.868 0.151 0.000 1.127 625 T HN 0.572 nan 8.240 nan 0.000 0.488 626 V N 1.558 121.454 119.914 -0.029 0.000 2.735 626 V HA 0.760 4.883 4.120 0.006 0.000 0.310 626 V C -0.552 175.475 176.094 -0.113 0.000 1.061 626 V CA -1.144 61.127 62.300 -0.048 0.000 0.913 626 V CB 1.257 33.076 31.823 -0.006 0.000 1.005 626 V HN 0.762 nan 8.190 nan 0.000 0.428 627 L N 2.277 123.423 121.223 -0.127 0.000 2.436 627 L HA 0.450 4.793 4.340 0.006 0.000 0.265 627 L C 0.893 177.739 176.870 -0.040 0.000 1.168 627 L CA 0.262 55.033 54.840 -0.116 0.000 0.815 627 L CB 0.996 42.987 42.059 -0.113 0.000 1.109 627 L HN 0.788 nan 8.230 nan 0.000 0.462 628 T N 3.098 117.640 114.554 -0.020 0.000 2.780 628 T HA 0.466 4.819 4.350 0.006 0.000 0.294 628 T C 0.064 174.787 174.700 0.039 0.000 0.949 628 T CA -0.204 61.897 62.100 0.001 0.000 1.074 628 T CB 0.136 68.998 68.868 -0.009 0.000 0.910 628 T HN 0.223 nan 8.240 nan 0.000 0.501 629 I N 6.480 127.086 120.570 0.060 0.000 2.396 629 I HA 0.304 4.477 4.170 0.006 0.000 0.292 629 I C -1.534 174.631 176.117 0.081 0.000 0.999 629 I CA -2.326 59.021 61.300 0.079 0.000 1.310 629 I CB 1.102 39.158 38.000 0.094 0.000 1.404 629 I HN 0.410 nan 8.210 nan 0.000 0.496 630 P HA 0.089 nan 4.420 nan 0.000 0.272 630 P C -0.947 176.432 177.300 0.132 0.000 1.223 630 P CA -0.286 62.880 63.100 0.109 0.000 0.784 630 P CB 0.704 32.482 31.700 0.130 0.000 0.923 631 E N 2.192 122.461 120.200 0.115 0.000 2.250 631 E HA 0.339 4.692 4.350 0.006 0.000 0.269 631 E C -0.457 176.238 176.600 0.158 0.000 1.018 631 E CA -0.906 55.560 56.400 0.110 0.000 0.873 631 E CB 1.090 30.836 29.700 0.076 0.000 1.134 631 E HN 0.324 nan 8.360 nan 0.000 0.403 632 I N 1.641 122.289 120.570 0.129 0.000 2.575 632 I HA 0.079 4.253 4.170 0.006 0.000 0.285 632 I C 0.190 176.366 176.117 0.099 0.000 1.085 632 I CA -0.507 60.882 61.300 0.150 0.000 1.403 632 I CB 0.632 38.686 38.000 0.089 0.000 1.409 632 I HN 0.372 nan 8.210 nan 0.000 0.557 633 I N 6.983 127.609 120.570 0.094 0.000 2.359 633 I HA 0.407 4.581 4.170 0.006 0.000 0.294 633 I C 0.011 176.152 176.117 0.040 0.000 0.987 633 I CA -0.338 60.993 61.300 0.051 0.000 1.225 633 I CB 1.190 39.211 38.000 0.034 0.000 1.366 633 I HN 0.371 nan 8.210 nan 0.000 0.466 634 I N 5.877 126.458 120.570 0.019 0.000 2.433 634 I HA 0.416 4.590 4.170 0.006 0.000 0.292 634 I C -0.077 176.032 176.117 -0.013 0.000 1.001 634 I CA -0.675 60.623 61.300 -0.002 0.000 1.119 634 I CB 2.203 40.193 38.000 -0.017 0.000 1.289 634 I HN 0.480 nan 8.210 nan 0.000 0.438 635 K N 5.441 125.828 120.400 -0.022 0.000 2.385 635 K HA 0.824 5.148 4.320 0.006 0.000 0.248 635 K C -1.526 175.053 176.600 -0.036 0.000 0.955 635 K CA -0.667 55.606 56.287 -0.023 0.000 0.816 635 K CB 2.720 35.212 32.500 -0.013 0.000 1.250 635 K HN 0.452 nan 8.250 nan 0.000 0.434 636 V N 0.957 120.851 119.914 -0.033 0.000 2.686 636 V HA 0.699 4.823 4.120 0.006 0.000 0.306 636 V C -1.113 174.964 176.094 -0.028 0.000 1.065 636 V CA -1.071 61.207 62.300 -0.037 0.000 0.894 636 V CB 1.520 33.318 31.823 -0.042 0.000 1.004 636 V HN 0.846 nan 8.190 nan 0.000 0.424 637 R N 2.896 123.381 120.500 -0.026 0.000 2.637 637 R HA 0.991 5.335 4.340 0.006 0.000 0.291 637 R C 0.170 176.459 176.300 -0.019 0.000 0.963 637 R CA -0.056 56.033 56.100 -0.019 0.000 0.901 637 R CB 1.094 31.386 30.300 -0.013 0.000 1.160 637 R HN 2.234 nan 8.270 nan 0.000 0.457 638 G N 0.136 108.927 108.800 -0.015 0.000 2.373 638 G HA2 -0.133 3.830 3.960 0.006 0.000 0.634 638 G HA3 -0.133 3.830 3.960 0.006 0.000 0.634 638 G C -1.311 173.581 174.900 -0.014 0.000 1.267 638 G CA -0.332 44.760 45.100 -0.013 0.000 1.008 638 G HN 0.750 nan 8.290 nan 0.000 0.497 639 T N -0.079 114.469 114.554 -0.011 0.000 2.882 639 T HA 0.586 4.940 4.350 0.006 0.000 0.287 639 T C 0.167 174.859 174.700 -0.013 0.000 0.992 639 T CA 0.186 62.280 62.100 -0.011 0.000 1.076 639 T CB 0.797 69.662 68.868 -0.006 0.000 0.961 639 T HN 0.498 nan 8.240 nan 0.000 0.490 640 Q N 3.258 123.049 119.800 -0.015 0.000 2.560 640 Q HA 0.542 4.886 4.340 0.006 0.000 0.238 640 Q C -1.334 174.656 176.000 -0.016 0.000 1.079 640 Q CA -0.527 55.264 55.803 -0.021 0.000 0.866 640 Q CB 1.201 29.924 28.738 -0.025 0.000 1.153 640 Q HN 0.401 nan 8.270 nan 0.000 0.530 641 V N 1.421 121.328 119.914 -0.011 0.000 2.733 641 V HA 0.253 4.377 4.120 0.006 0.000 0.306 641 V C 0.037 176.136 176.094 0.007 0.000 1.084 641 V CA -1.060 61.239 62.300 -0.001 0.000 0.905 641 V CB 2.177 34.002 31.823 0.004 0.000 1.010 641 V HN 0.341 nan 8.190 nan 0.000 0.424 642 V N 4.274 124.197 119.914 0.014 0.000 2.583 642 V HA 0.327 4.451 4.120 0.006 0.000 0.302 642 V C 1.516 177.642 176.094 0.054 0.000 1.033 642 V CA 1.921 64.245 62.300 0.040 0.000 1.194 642 V CB -0.169 31.685 31.823 0.052 0.000 0.879 642 V HN 1.489 nan 8.190 nan 0.000 0.482 643 G N 3.649 112.493 108.800 0.074 0.000 2.176 643 G HA2 -0.201 3.763 3.960 0.006 0.000 0.232 643 G HA3 -0.201 3.763 3.960 0.006 0.000 0.232 643 G C 0.193 175.124 174.900 0.053 0.000 0.986 643 G CA 0.094 45.238 45.100 0.073 0.000 0.643 643 G HN 0.795 nan 8.290 nan 0.000 0.522 644 S N 0.535 116.259 115.700 0.040 0.000 2.566 644 S HA 0.600 5.073 4.470 0.006 0.000 0.298 644 S C -0.794 173.819 174.600 0.022 0.000 1.083 644 S CA -0.741 57.475 58.200 0.027 0.000 0.978 644 S CB 1.822 65.031 63.200 0.016 0.000 1.073 644 S HN 0.259 nan 8.310 nan 0.000 0.491 645 D N 2.953 123.364 120.400 0.019 0.000 2.350 645 D HA 0.331 4.975 4.640 0.006 0.000 0.249 645 D C 0.038 176.338 176.300 -0.001 0.000 1.119 645 D CA 0.262 54.269 54.000 0.013 0.000 0.886 645 D CB 0.660 41.469 40.800 0.015 0.000 1.195 645 D HN 0.485 nan 8.370 nan 0.000 0.437 646 M N -0.797 118.796 119.600 -0.012 0.000 2.591 646 M HA 0.503 4.986 4.480 0.006 0.000 0.306 646 M C -0.771 175.510 176.300 -0.032 0.000 1.190 646 M CA -0.815 54.471 55.300 -0.024 0.000 0.889 646 M CB 2.130 34.709 32.600 -0.035 0.000 1.728 646 M HN -0.124 nan 8.290 nan 0.000 0.458 647 T N 2.101 116.635 114.554 -0.034 0.000 2.767 647 T HA 0.581 4.935 4.350 0.006 0.000 0.284 647 T C -0.409 174.253 174.700 -0.063 0.000 0.973 647 T CA -0.503 61.572 62.100 -0.042 0.000 0.996 647 T CB 1.406 70.260 68.868 -0.024 0.000 0.927 647 T HN 0.505 nan 8.240 nan 0.000 0.456 648 V N 3.911 123.764 119.914 -0.101 0.000 2.435 648 V HA 0.499 4.622 4.120 0.006 0.000 0.290 648 V C 0.272 176.278 176.094 -0.147 0.000 1.030 648 V CA -0.748 61.474 62.300 -0.130 0.000 0.881 648 V CB 1.797 33.513 31.823 -0.178 0.000 0.983 648 V HN 0.945 nan 8.190 nan 0.000 0.445 649 T N 4.123 118.619 114.554 -0.096 0.000 2.779 649 T HA 0.555 4.908 4.350 0.006 0.000 0.280 649 T C -0.351 174.322 174.700 -0.046 0.000 0.987 649 T CA -0.427 61.638 62.100 -0.060 0.000 0.966 649 T CB 1.547 70.409 68.868 -0.010 0.000 0.933 649 T HN 0.401 nan 8.240 nan 0.000 0.442 650 V N 3.726 123.633 119.914 -0.013 0.000 2.347 650 V HA 0.468 4.591 4.120 0.006 0.000 0.280 650 V C 0.033 176.205 176.094 0.131 0.000 1.021 650 V CA -0.872 61.465 62.300 0.061 0.000 0.847 650 V CB 1.177 33.075 31.823 0.125 0.000 0.990 650 V HN 0.853 nan 8.190 nan 0.000 0.444 651 Q N 3.876 123.736 119.800 0.100 0.000 2.307 651 Q HA 0.608 4.951 4.340 0.006 0.000 0.262 651 Q C -1.841 174.253 176.000 0.156 0.000 0.961 651 Q CA -0.623 55.234 55.803 0.091 0.000 0.882 651 Q CB 1.761 30.526 28.738 0.045 0.000 1.264 651 Q HN 0.701 nan 8.270 nan 0.000 0.446 652 F N 2.507 122.416 119.950 -0.068 0.000 2.518 652 F HA 0.462 4.993 4.527 0.006 0.000 0.323 652 F C -1.233 174.513 175.800 -0.090 0.000 1.129 652 F CA -0.472 57.480 58.000 -0.081 0.000 0.920 652 F CB 2.061 40.997 39.000 -0.107 0.000 1.160 652 F HN 0.380 nan 8.300 nan 0.000 0.440 653 T N 5.170 119.272 114.554 -0.754 0.000 2.756 653 T HA 0.164 4.518 4.350 0.006 0.000 0.290 653 T C -0.420 173.664 174.700 -1.026 0.000 0.985 653 T CA -0.578 61.092 62.100 -0.716 0.000 0.955 653 T CB 0.332 69.003 68.868 -0.329 0.000 0.930 653 T HN 0.551 nan 8.240 nan 0.000 0.451 654 N N 5.213 123.385 118.700 -0.879 0.000 2.406 654 N HA 0.118 4.861 4.740 0.006 0.000 0.265 654 N C -1.561 173.800 175.510 -0.248 0.000 1.203 654 N CA -2.045 50.694 53.050 -0.519 0.000 0.945 654 N CB 0.938 39.269 38.487 -0.261 0.000 1.165 654 N HN 0.232 nan 8.380 nan 0.000 0.485 655 P HA 0.084 nan 4.420 nan 0.000 0.261 655 P C 0.163 177.445 177.300 -0.029 0.000 1.268 655 P CA 0.217 63.270 63.100 -0.078 0.000 0.833 655 P CB 0.524 32.197 31.700 -0.046 0.000 1.231 656 L N 0.543 121.758 121.223 -0.014 0.000 2.439 656 L HA 0.214 4.557 4.340 0.006 0.000 0.261 656 L C 1.565 178.432 176.870 -0.006 0.000 1.153 656 L CA -0.539 54.306 54.840 0.009 0.000 0.808 656 L CB 0.717 42.796 42.059 0.033 0.000 1.126 656 L HN -0.254 nan 8.230 nan 0.000 0.460 657 K N 1.110 121.509 120.400 -0.002 0.000 2.458 657 K HA 0.076 4.399 4.320 0.006 0.000 0.194 657 K C 0.081 176.679 176.600 -0.003 0.000 1.024 657 K CA 0.162 56.445 56.287 -0.007 0.000 1.108 657 K CB -0.154 32.340 32.500 -0.009 0.000 0.846 657 K HN 0.633 nan 8.250 nan 0.000 0.518 658 E N -0.120 120.082 120.200 0.004 0.000 2.281 658 E HA 0.285 4.638 4.350 0.006 0.000 0.257 658 E C -0.703 175.902 176.600 0.010 0.000 0.971 658 E CA -0.943 55.462 56.400 0.008 0.000 0.839 658 E CB 0.907 30.616 29.700 0.016 0.000 1.238 658 E HN -0.198 nan 8.360 nan 0.000 0.412 659 T N 0.971 115.532 114.554 0.012 0.000 2.767 659 T HA 0.342 4.695 4.350 0.006 0.000 0.288 659 T C -0.384 174.333 174.700 0.028 0.000 0.963 659 T CA -0.701 61.408 62.100 0.015 0.000 1.019 659 T CB -0.016 68.858 68.868 0.009 0.000 0.923 659 T HN 0.347 nan 8.240 nan 0.000 0.468 660 L N 5.752 127.000 121.223 0.041 0.000 2.331 660 L HA 0.531 4.875 4.340 0.006 0.000 0.278 660 L C 1.074 177.971 176.870 0.045 0.000 1.106 660 L CA -0.541 54.334 54.840 0.059 0.000 0.824 660 L CB 0.686 42.808 42.059 0.105 0.000 1.142 660 L HN 0.500 nan 8.230 nan 0.000 0.443 661 R N 2.037 122.560 120.500 0.039 0.000 2.778 661 R HA 0.318 4.661 4.340 0.006 0.000 0.277 661 R C -0.407 175.904 176.300 0.018 0.000 0.977 661 R CA -1.113 55.001 56.100 0.023 0.000 0.950 661 R CB 1.449 31.761 30.300 0.019 0.000 1.165 661 R HN 0.633 nan 8.270 nan 0.000 0.474 662 N N -0.310 118.378 118.700 -0.020 0.000 2.650 662 N HA -0.169 4.574 4.740 0.006 0.000 0.272 662 N C -1.065 174.394 175.510 -0.086 0.000 1.058 662 N CA 0.291 53.293 53.050 -0.081 0.000 0.765 662 N CB -0.937 37.551 38.487 0.000 0.000 0.902 662 N HN 0.187 nan 8.380 nan 0.000 0.551 663 V N 0.876 120.735 119.914 -0.091 0.000 2.339 663 V HA 0.148 4.271 4.120 0.006 0.000 0.261 663 V C 0.471 176.531 176.094 -0.056 0.000 1.058 663 V CA -0.461 61.830 62.300 -0.015 0.000 0.897 663 V CB -0.254 31.590 31.823 0.035 0.000 1.052 663 V HN 0.374 nan 8.190 nan 0.000 0.480 664 W N 3.860 125.180 121.300 0.033 0.000 2.345 664 W HA 0.513 5.174 4.660 0.000 0.000 0.308 664 W C -0.106 176.455 176.519 0.070 0.000 1.273 664 W CA -0.374 56.989 57.345 0.030 0.000 1.243 664 W CB 1.243 30.726 29.460 0.039 0.000 1.260 664 W HN 0.300 nan 8.180 nan 0.000 0.509 665 V N 4.533 124.631 119.914 0.306 0.000 2.483 665 V HA 0.313 4.436 4.120 0.006 0.000 0.295 665 V C 0.039 176.375 176.094 0.404 0.000 1.035 665 V CA -0.897 61.586 62.300 0.305 0.000 0.896 665 V CB 1.115 33.127 31.823 0.316 0.000 0.986 665 V HN 0.415 nan 8.190 nan 0.000 0.447 666 H N 3.816 123.051 119.070 0.275 0.000 2.495 666 H HA 0.578 5.140 4.556 0.009 0.000 0.348 666 H C -1.100 174.414 175.328 0.309 0.000 1.113 666 H CA -0.688 55.533 56.048 0.289 0.000 1.195 666 H CB 2.602 32.432 29.762 0.113 0.000 1.521 666 H HN 0.420 nan 8.280 nan 0.000 0.509 667 L N 2.863 124.314 121.223 0.381 0.000 2.362 667 L HA 0.427 4.771 4.340 0.006 0.000 0.271 667 L C -0.878 176.036 176.870 0.073 0.000 1.002 667 L CA -0.232 54.679 54.840 0.119 0.000 0.818 667 L CB 1.691 43.639 42.059 -0.186 0.000 1.298 667 L HN 0.626 nan 8.230 nan 0.000 0.420 668 D N 1.908 122.312 120.400 0.007 0.000 2.626 668 D HA 0.828 5.471 4.640 0.006 0.000 0.278 668 D C -1.287 174.968 176.300 -0.074 0.000 1.211 668 D CA 0.208 54.194 54.000 -0.023 0.000 0.903 668 D CB 2.649 43.421 40.800 -0.047 0.000 1.408 668 D HN 0.836 nan 8.370 nan 0.000 0.454 669 G N 1.561 110.306 108.800 -0.092 0.000 1.875 669 G HA2 0.221 4.185 3.960 0.006 0.000 0.218 669 G HA3 0.221 4.185 3.960 0.006 0.000 0.218 669 G C -3.159 171.645 174.900 -0.160 0.000 1.648 669 G CA -0.883 44.139 45.100 -0.130 0.000 0.941 669 G HN 0.233 nan 8.290 nan 0.000 0.689 670 P HA 0.386 nan 4.420 nan 0.000 0.271 670 P C 1.175 178.322 177.300 -0.254 0.000 1.216 670 P CA 1.520 64.568 63.100 -0.087 0.000 0.771 670 P CB 1.402 33.102 31.700 -0.000 0.000 0.864 671 G N 1.713 110.217 108.800 -0.495 0.000 2.176 671 G HA2 -0.255 3.709 3.960 0.006 0.000 0.253 671 G HA3 -0.255 3.709 3.960 0.006 0.000 0.253 671 G C 0.497 174.542 174.900 -1.425 0.000 0.979 671 G CA 0.262 44.700 45.100 -1.105 0.000 0.641 671 G HN 0.422 nan 8.290 nan 0.000 0.530 672 V N -1.248 118.025 119.914 -1.069 0.000 3.103 672 V HA 0.529 4.653 4.120 0.006 0.000 0.229 672 V C 0.888 176.656 176.094 -0.543 0.000 1.304 672 V CA 1.736 63.638 62.300 -0.664 0.000 1.298 672 V CB 1.262 32.878 31.823 -0.344 0.000 1.093 672 V HN 0.807 nan 8.190 nan 0.000 0.489 673 T N -0.096 114.220 114.554 -0.395 0.000 2.885 673 T HA 0.481 4.834 4.350 0.006 0.000 0.322 673 T C -0.827 173.978 174.700 0.176 0.000 1.387 673 T CA -0.573 61.508 62.100 -0.031 0.000 1.041 673 T CB 1.761 70.613 68.868 -0.027 0.000 1.287 673 T HN 0.203 nan 8.240 nan 0.000 0.491 674 R N 2.341 123.048 120.500 0.346 0.000 2.827 674 R HA 0.323 4.667 4.340 0.006 0.000 0.269 674 R C -2.345 174.044 176.300 0.149 0.000 1.048 674 R CA -0.945 55.306 56.100 0.251 0.000 1.173 674 R CB 0.025 30.443 30.300 0.196 0.000 1.070 674 R HN 0.399 nan 8.270 nan 0.000 0.498 675 P HA 0.084 nan 4.420 nan 0.000 0.276 675 P C -0.781 176.601 177.300 0.138 0.000 1.230 675 P CA 0.603 63.777 63.100 0.122 0.000 0.776 675 P CB 0.812 32.588 31.700 0.127 0.000 0.888 676 M N 2.667 122.365 119.600 0.164 0.000 2.550 676 M HA 0.507 4.990 4.480 0.006 0.000 0.292 676 M C -0.290 176.142 176.300 0.220 0.000 1.221 676 M CA -0.735 54.695 55.300 0.217 0.000 0.873 676 M CB 3.076 35.869 32.600 0.322 0.000 1.727 676 M HN 0.217 nan 8.290 nan 0.000 0.459 677 K N 0.854 121.303 120.400 0.082 0.000 2.508 677 K HA 0.843 5.167 4.320 0.006 0.000 0.260 677 K C -1.676 174.818 176.600 -0.177 0.000 0.949 677 K CA -1.098 55.109 56.287 -0.134 0.000 0.834 677 K CB 2.921 35.080 32.500 -0.569 0.000 1.365 677 K HN 0.471 nan 8.250 nan 0.000 0.437 678 K N 2.247 122.415 120.400 -0.387 0.000 2.565 678 K HA 0.338 4.661 4.320 0.006 0.000 0.249 678 K C -1.505 174.757 176.600 -0.563 0.000 0.958 678 K CA -0.441 55.413 56.287 -0.723 0.000 0.806 678 K CB 1.964 33.418 32.500 -1.742 0.000 1.194 678 K HN 0.796 nan 8.250 nan 0.000 0.434 679 M N 4.344 123.361 119.600 -0.972 0.000 2.318 679 M HA 0.489 4.972 4.480 0.006 0.000 0.347 679 M C -1.279 174.533 176.300 -0.812 0.000 1.175 679 M CA -0.615 54.008 55.300 -1.128 0.000 1.075 679 M CB 0.611 32.035 32.600 -1.959 0.000 1.614 679 M HN 0.588 nan 8.290 nan 0.000 0.456 680 F N 2.731 122.397 119.950 -0.473 0.000 2.477 680 F HA 0.384 4.914 4.527 0.005 0.000 0.335 680 F C 1.075 176.734 175.800 -0.235 0.000 1.130 680 F CA -0.827 57.004 58.000 -0.281 0.000 0.948 680 F CB 1.249 40.150 39.000 -0.165 0.000 1.154 680 F HN 0.597 nan 8.300 nan 0.000 0.439 681 R N 1.611 122.074 120.500 -0.062 0.000 2.096 681 R HA -0.026 4.317 4.340 0.006 0.000 0.235 681 R C -0.460 175.829 176.300 -0.019 0.000 1.127 681 R CA 1.574 57.629 56.100 -0.075 0.000 0.968 681 R CB -0.198 30.057 30.300 -0.074 0.000 0.861 681 R HN 0.736 nan 8.270 nan 0.000 0.440 682 E N -0.161 120.051 120.200 0.021 0.000 2.430 682 E HA 0.485 4.838 4.350 0.006 0.000 0.279 682 E C -1.315 175.309 176.600 0.039 0.000 1.003 682 E CA -1.008 55.407 56.400 0.025 0.000 0.801 682 E CB 1.536 31.243 29.700 0.012 0.000 1.313 682 E HN 0.116 nan 8.360 nan 0.000 0.459 683 I N 1.823 122.410 120.570 0.028 0.000 2.493 683 I HA 0.316 4.489 4.170 0.006 0.000 0.279 683 I C -0.223 175.890 176.117 -0.007 0.000 1.045 683 I CA -0.980 60.324 61.300 0.006 0.000 1.106 683 I CB 1.257 39.256 38.000 -0.002 0.000 1.216 683 I HN 0.365 nan 8.210 nan 0.000 0.459 684 R N 5.407 125.899 120.500 -0.013 0.000 2.758 684 R HA 0.138 4.482 4.340 0.006 0.000 0.263 684 R C -2.362 173.918 176.300 -0.033 0.000 1.010 684 R CA -1.518 54.572 56.100 -0.017 0.000 1.114 684 R CB -0.317 29.974 30.300 -0.015 0.000 0.985 684 R HN 0.178 nan 8.270 nan 0.000 0.439 685 P HA -0.058 nan 4.420 nan 0.000 0.264 685 P C -0.170 177.099 177.300 -0.052 0.000 1.193 685 P CA 0.545 63.624 63.100 -0.036 0.000 0.763 685 P CB 0.229 31.915 31.700 -0.023 0.000 0.810 686 N N -1.173 117.482 118.700 -0.074 0.000 2.800 686 N HA -0.124 4.619 4.740 0.006 0.000 0.250 686 N C -0.562 174.886 175.510 -0.104 0.000 1.078 686 N CA 0.458 53.455 53.050 -0.087 0.000 0.804 686 N CB -1.007 37.444 38.487 -0.059 0.000 1.135 686 N HN 0.377 nan 8.380 nan 0.000 0.565 687 S N 0.034 115.664 115.700 -0.118 0.000 2.654 687 S HA 0.523 4.997 4.470 0.006 0.000 0.283 687 S C 0.365 174.859 174.600 -0.178 0.000 1.180 687 S CA -0.299 57.832 58.200 -0.115 0.000 1.021 687 S CB 2.357 65.509 63.200 -0.079 0.000 1.018 687 S HN 0.082 nan 8.310 nan 0.000 0.532 688 T N 1.839 116.307 114.554 -0.144 0.000 2.888 688 T HA 0.643 4.996 4.350 0.006 0.000 0.284 688 T C -0.212 174.409 174.700 -0.132 0.000 1.017 688 T CA -0.658 61.342 62.100 -0.167 0.000 1.022 688 T CB 1.277 70.073 68.868 -0.121 0.000 1.013 688 T HN 0.542 nan 8.240 nan 0.000 0.465 689 V N 0.968 120.778 119.914 -0.173 0.000 2.919 689 V HA 0.761 4.884 4.120 0.006 0.000 0.316 689 V C -0.975 175.071 176.094 -0.080 0.000 1.077 689 V CA -0.993 61.191 62.300 -0.194 0.000 0.977 689 V CB 1.870 33.305 31.823 -0.647 0.000 1.039 689 V HN 0.844 nan 8.190 nan 0.000 0.441 690 Q N 1.403 121.236 119.800 0.055 0.000 2.331 690 Q HA 0.445 4.788 4.340 0.006 0.000 0.272 690 Q C -2.130 174.099 176.000 0.382 0.000 1.062 690 Q CA -0.351 55.550 55.803 0.163 0.000 0.806 690 Q CB 3.106 31.914 28.738 0.117 0.000 1.312 690 Q HN 0.891 nan 8.270 nan 0.000 0.431 691 W N 3.415 124.812 121.300 0.162 0.000 2.538 691 W HA 0.398 5.055 4.660 -0.006 0.000 0.322 691 W C -1.152 175.433 176.519 0.110 0.000 1.028 691 W CA -0.687 56.780 57.345 0.203 0.000 1.228 691 W CB 1.109 30.738 29.460 0.283 0.000 1.356 691 W HN 0.524 nan 8.180 nan 0.000 0.452 692 E N 3.973 124.308 120.200 0.225 0.000 2.166 692 E HA 0.274 4.627 4.350 0.006 0.000 0.275 692 E C -0.584 175.959 176.600 -0.095 0.000 0.941 692 E CA -0.509 55.883 56.400 -0.012 0.000 0.784 692 E CB 1.818 31.553 29.700 0.058 0.000 1.115 692 E HN 0.221 nan 8.360 nan 0.000 0.399 693 E N 1.967 122.019 120.200 -0.247 0.000 2.256 693 E HA 0.235 4.589 4.350 0.006 0.000 0.268 693 E C -0.996 175.543 176.600 -0.101 0.000 0.877 693 E CA -0.730 55.569 56.400 -0.169 0.000 0.757 693 E CB 2.414 31.914 29.700 -0.334 0.000 1.183 693 E HN 0.197 nan 8.360 nan 0.000 0.418 694 V N 2.974 122.870 119.914 -0.030 0.000 2.455 694 V HA 0.116 4.240 4.120 0.006 0.000 0.273 694 V C 0.234 176.321 176.094 -0.012 0.000 1.045 694 V CA -0.296 61.993 62.300 -0.018 0.000 0.976 694 V CB 0.443 32.271 31.823 0.008 0.000 0.993 694 V HN 0.715 nan 8.190 nan 0.000 0.475 695 C N 5.439 124.723 119.300 -0.027 0.000 2.391 695 C HA 0.656 5.120 4.460 0.006 0.000 0.339 695 C C 0.487 175.482 174.990 0.009 0.000 1.205 695 C CA -0.878 58.132 59.018 -0.013 0.000 1.937 695 C CB 1.153 28.855 27.740 -0.064 0.000 2.341 695 C HN 0.929 nan 8.230 nan 0.000 0.516 696 R N 2.491 123.024 120.500 0.055 0.000 2.407 696 R HA 0.359 4.702 4.340 0.006 0.000 0.298 696 R C -2.781 173.586 176.300 0.111 0.000 1.166 696 R CA -1.015 55.133 56.100 0.079 0.000 1.006 696 R CB 0.892 31.258 30.300 0.110 0.000 1.145 696 R HN 0.494 nan 8.270 nan 0.000 0.538 697 P HA 0.019 nan 4.420 nan 0.000 0.269 697 P C -0.538 176.810 177.300 0.079 0.000 1.209 697 P CA -0.121 62.919 63.100 -0.100 0.000 0.776 697 P CB 0.272 31.891 31.700 -0.134 0.000 0.876 698 W N 1.067 122.374 121.300 0.012 0.000 2.871 698 W HA 0.491 5.168 4.660 0.029 0.000 0.340 698 W C -1.112 175.417 176.519 0.016 0.000 1.058 698 W CA -0.269 57.086 57.345 0.017 0.000 1.633 698 W CB -0.302 29.171 29.460 0.023 0.000 1.067 698 W HN -0.138 nan 8.180 nan 0.000 0.554 699 V N 2.736 122.576 119.914 -0.122 0.000 2.656 699 V HA 0.495 4.618 4.120 0.006 0.000 0.307 699 V C 0.226 176.275 176.094 -0.076 0.000 1.051 699 V CA -0.852 61.406 62.300 -0.070 0.000 0.893 699 V CB 1.601 33.349 31.823 -0.125 0.000 0.999 699 V HN 0.121 nan 8.190 nan 0.000 0.426 700 S N 3.325 119.011 115.700 -0.023 0.000 2.578 700 S HA 0.948 5.422 4.470 0.006 0.000 0.283 700 S C 0.185 174.777 174.600 -0.013 0.000 1.195 700 S CA 0.459 58.651 58.200 -0.014 0.000 1.050 700 S CB 1.535 64.740 63.200 0.008 0.000 1.012 700 S HN 2.256 nan 8.310 nan 0.000 0.511 701 G N 1.417 110.217 108.800 0.001 0.000 2.342 701 G HA2 0.010 3.974 3.960 0.006 0.000 0.220 701 G HA3 0.010 3.974 3.960 0.006 0.000 0.220 701 G C -0.870 174.074 174.900 0.073 0.000 1.243 701 G CA -0.379 44.738 45.100 0.028 0.000 1.083 701 G HN 1.370 nan 8.290 nan 0.000 0.500 702 H N 2.252 121.303 119.070 -0.032 0.000 2.955 702 H HA 0.683 5.243 4.556 0.006 0.000 0.290 702 H C 0.757 176.058 175.328 -0.045 0.000 1.047 702 H CA 0.382 56.409 56.048 -0.036 0.000 1.484 702 H CB 0.184 29.930 29.762 -0.026 0.000 1.501 702 H HN 0.602 nan 8.280 nan 0.000 0.521 703 R N 3.609 124.191 120.500 0.137 0.000 3.018 703 R HA 0.519 4.863 4.340 0.006 0.000 0.243 703 R C -0.782 175.486 176.300 -0.054 0.000 1.315 703 R CA -1.038 54.997 56.100 -0.108 0.000 1.039 703 R CB 1.516 31.761 30.300 -0.091 0.000 1.315 703 R HN 0.688 nan 8.270 nan 0.000 0.492 704 K N 0.767 121.109 120.400 -0.098 0.000 2.543 704 K HA 0.391 4.714 4.320 0.006 0.000 0.255 704 K C -1.447 175.105 176.600 -0.080 0.000 0.934 704 K CA -0.478 55.776 56.287 -0.055 0.000 0.810 704 K CB 1.668 34.122 32.500 -0.077 0.000 1.315 704 K HN 0.386 nan 8.250 nan 0.000 0.433 705 L N 4.792 125.978 121.223 -0.062 0.000 2.322 705 L HA 0.612 4.955 4.340 0.006 0.000 0.279 705 L C -0.439 176.396 176.870 -0.058 0.000 1.036 705 L CA -0.866 53.928 54.840 -0.076 0.000 0.807 705 L CB 1.352 43.363 42.059 -0.079 0.000 1.226 705 L HN 0.556 nan 8.230 nan 0.000 0.433 706 I N 1.932 122.469 120.570 -0.056 0.000 2.656 706 I HA 0.705 4.878 4.170 0.006 0.000 0.292 706 I C -0.738 175.383 176.117 0.007 0.000 1.144 706 I CA -0.278 61.000 61.300 -0.037 0.000 1.038 706 I CB 2.235 40.188 38.000 -0.078 0.000 1.244 706 I HN 0.670 nan 8.210 nan 0.000 0.420 707 A N 3.725 126.576 122.820 0.052 0.000 2.587 707 A HA 0.959 5.282 4.320 0.006 0.000 0.293 707 A C -0.945 176.725 177.584 0.144 0.000 1.087 707 A CA -0.427 51.675 52.037 0.107 0.000 0.692 707 A CB 2.074 21.129 19.000 0.093 0.000 1.291 707 A HN 0.715 nan 8.150 nan 0.000 0.407 708 S N 0.684 116.460 115.700 0.126 0.000 2.638 708 S HA 0.849 5.322 4.470 0.006 0.000 0.274 708 S C -0.904 173.644 174.600 -0.087 0.000 1.157 708 S CA -0.611 57.579 58.200 -0.016 0.000 0.826 708 S CB 1.915 65.118 63.200 0.005 0.000 1.139 708 S HN 1.515 nan 8.310 nan 0.000 0.474 709 M N 1.945 121.369 119.600 -0.292 0.000 2.324 709 M HA 0.579 5.062 4.480 0.006 0.000 0.288 709 M C -1.874 174.265 176.300 -0.268 0.000 1.097 709 M CA -0.127 55.005 55.300 -0.281 0.000 0.928 709 M CB 1.882 34.108 32.600 -0.623 0.000 1.648 709 M HN 0.851 nan 8.290 nan 0.000 0.460 710 S N 2.329 117.967 115.700 -0.104 0.000 2.557 710 S HA 0.751 5.224 4.470 0.006 0.000 0.291 710 S C -0.470 174.158 174.600 0.046 0.000 1.116 710 S CA -0.574 57.594 58.200 -0.053 0.000 0.992 710 S CB 1.878 65.057 63.200 -0.036 0.000 1.028 710 S HN 0.805 nan 8.310 nan 0.000 0.484 711 S N 1.631 117.348 115.700 0.028 0.000 2.801 711 S HA 0.519 4.993 4.470 0.006 0.000 0.312 711 S C -0.024 174.629 174.600 0.090 0.000 1.112 711 S CA -0.579 57.662 58.200 0.068 0.000 0.943 711 S CB 0.504 63.733 63.200 0.047 0.000 1.269 711 S HN 0.418 nan 8.310 nan 0.000 0.558 712 D N 0.624 121.074 120.400 0.083 0.000 2.348 712 D HA 0.105 4.748 4.640 0.006 0.000 0.216 712 D C 1.627 177.968 176.300 0.070 0.000 0.970 712 D CA 1.316 55.364 54.000 0.080 0.000 0.889 712 D CB 0.045 40.882 40.800 0.062 0.000 0.912 712 D HN 0.550 nan 8.370 nan 0.000 0.524 713 S N -0.658 115.080 115.700 0.064 0.000 3.386 713 S HA 0.118 4.592 4.470 0.006 0.000 0.181 713 S C 0.466 175.102 174.600 0.061 0.000 0.763 713 S CA -0.513 57.724 58.200 0.062 0.000 0.847 713 S CB 0.122 63.355 63.200 0.056 0.000 0.980 713 S HN 0.059 nan 8.310 nan 0.000 0.676 714 L N 4.537 125.793 121.223 0.054 0.000 2.462 714 L HA 0.481 4.825 4.340 0.006 0.000 0.272 714 L C 0.024 176.891 176.870 -0.004 0.000 1.166 714 L CA 0.149 55.014 54.840 0.040 0.000 0.880 714 L CB 0.038 42.138 42.059 0.068 0.000 1.142 714 L HN 0.728 nan 8.230 nan 0.000 0.473 715 R N 2.190 122.680 120.500 -0.016 0.000 2.909 715 R HA 0.417 4.760 4.340 0.006 0.000 0.262 715 R C -0.400 175.855 176.300 -0.075 0.000 1.095 715 R CA -0.779 55.277 56.100 -0.074 0.000 0.965 715 R CB 0.353 30.640 30.300 -0.020 0.000 1.300 715 R HN 0.556 nan 8.270 nan 0.000 0.442 716 H N -1.792 117.069 119.070 -0.348 0.000 2.903 716 H HA -0.090 4.470 4.556 0.007 0.000 0.285 716 H C -1.535 173.403 175.328 -0.650 0.000 1.231 716 H CA 0.718 56.479 56.048 -0.479 0.000 1.135 716 H CB -0.778 28.852 29.762 -0.220 0.000 1.328 716 H HN 0.332 nan 8.280 nan 0.000 0.388 717 V N 1.827 121.274 119.914 -0.778 0.000 2.370 717 V HA 0.427 4.550 4.120 0.006 0.000 0.279 717 V C -0.031 175.515 176.094 -0.913 0.000 1.029 717 V CA -0.245 61.669 62.300 -0.643 0.000 0.870 717 V CB 0.782 32.328 31.823 -0.463 0.000 0.984 717 V HN 0.270 nan 8.190 nan 0.000 0.451 718 Y N 2.139 122.362 120.300 -0.129 0.000 2.634 718 Y HA 0.905 5.457 4.550 0.003 0.000 0.340 718 Y C 0.569 176.440 175.900 -0.049 0.000 1.058 718 Y CA -0.945 57.087 58.100 -0.113 0.000 1.081 718 Y CB 2.504 40.875 38.460 -0.149 0.000 1.295 718 Y HN 0.723 nan 8.280 nan 0.000 0.487 719 G N 0.195 109.079 108.800 0.140 0.000 2.703 719 G HA2 0.599 4.563 3.960 0.006 0.000 0.294 719 G HA3 0.599 4.563 3.960 0.006 0.000 0.294 719 G C -1.974 172.955 174.900 0.049 0.000 1.451 719 G CA -1.015 44.133 45.100 0.080 0.000 0.869 719 G HN 0.670 nan 8.290 nan 0.000 0.516 720 E N 0.019 120.233 120.200 0.023 0.000 2.429 720 E HA 0.732 5.086 4.350 0.006 0.000 0.276 720 E C -1.832 174.767 176.600 -0.002 0.000 0.953 720 E CA -1.126 55.274 56.400 -0.000 0.000 0.787 720 E CB 2.765 32.454 29.700 -0.018 0.000 1.307 720 E HN 0.475 nan 8.360 nan 0.000 0.458 721 L N 2.211 123.428 121.223 -0.010 0.000 2.476 721 L HA 0.361 4.705 4.340 0.006 0.000 0.269 721 L C -1.393 175.483 176.870 0.009 0.000 0.965 721 L CA -0.539 54.297 54.840 -0.006 0.000 0.845 721 L CB 1.772 43.822 42.059 -0.016 0.000 1.259 721 L HN 0.770 nan 8.230 nan 0.000 0.403 722 D N 4.328 124.748 120.400 0.033 0.000 2.417 722 D HA 0.294 4.937 4.640 0.006 0.000 0.250 722 D C 0.140 176.464 176.300 0.039 0.000 1.166 722 D CA 0.378 54.437 54.000 0.098 0.000 0.881 722 D CB 1.966 42.806 40.800 0.066 0.000 1.164 722 D HN 0.383 nan 8.370 nan 0.000 0.467 723 V N 0.359 120.318 119.914 0.075 0.000 2.864 723 V HA 0.559 4.683 4.120 0.006 0.000 0.314 723 V C -0.500 175.632 176.094 0.062 0.000 1.073 723 V CA -1.067 61.247 62.300 0.024 0.000 0.956 723 V CB 2.069 33.886 31.823 -0.011 0.000 1.023 723 V HN 0.290 nan 8.190 nan 0.000 0.435 724 Q N 2.278 122.080 119.800 0.003 0.000 2.322 724 Q HA 0.646 4.990 4.340 0.006 0.000 0.265 724 Q C -1.228 174.771 176.000 -0.003 0.000 0.985 724 Q CA -0.494 55.314 55.803 0.009 0.000 0.849 724 Q CB 1.580 30.299 28.738 -0.032 0.000 1.274 724 Q HN 0.780 nan 8.270 nan 0.000 0.449 725 I N 3.179 123.749 120.570 0.000 0.000 2.525 725 I HA 0.398 4.572 4.170 0.006 0.000 0.301 725 I C 0.101 176.214 176.117 -0.007 0.000 0.992 725 I CA -0.846 60.445 61.300 -0.015 0.000 1.162 725 I CB 1.509 39.489 38.000 -0.035 0.000 1.332 725 I HN 0.663 nan 8.210 nan 0.000 0.458 726 Q N 4.073 123.869 119.800 -0.007 0.000 2.204 726 Q HA 0.565 4.909 4.340 0.006 0.000 0.254 726 Q C 0.030 176.032 176.000 0.004 0.000 0.981 726 Q CA -0.667 55.135 55.803 -0.002 0.000 0.897 726 Q CB 1.792 30.529 28.738 -0.003 0.000 1.273 726 Q HN 0.404 nan 8.270 nan 0.000 0.464 727 R N 0.000 120.504 120.500 0.007 0.000 2.786 727 R HA 0.000 4.343 4.340 0.006 0.000 0.208 727 R CA 0.000 56.108 56.100 0.013 0.000 0.921 727 R CB 0.000 30.309 30.300 0.015 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535