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 1goi_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVNID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRV 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.710 174.700 0.016 0.000 1.109 3 T CA 0.000 62.116 62.100 0.026 0.000 1.349 3 T CB 0.000 68.886 68.868 0.030 0.000 0.612 4 R N 2.480 122.994 120.500 0.024 0.000 2.570 4 R HA 0.175 4.515 4.340 -0.000 0.000 0.277 4 R C -0.016 176.259 176.300 -0.041 0.000 1.039 4 R CA -0.223 55.883 56.100 0.010 0.000 1.065 4 R CB 0.414 30.737 30.300 0.038 0.000 0.964 4 R HN 0.286 nan 8.270 nan 0.000 0.428 5 K N 2.599 122.902 120.400 -0.162 0.000 2.350 5 K HA 0.116 4.436 4.320 -0.000 0.000 0.279 5 K C -0.225 176.256 176.600 -0.199 0.000 1.027 5 K CA -0.017 56.069 56.287 -0.334 0.000 0.969 5 K CB 1.274 33.190 32.500 -0.974 0.000 0.954 5 K HN 0.713 nan 8.250 nan 0.000 0.474 6 A N 2.251 124.962 122.820 -0.181 0.000 2.462 6 A HA 0.252 4.572 4.320 -0.000 0.000 0.243 6 A C -0.169 177.379 177.584 -0.061 0.000 1.076 6 A CA -0.333 51.624 52.037 -0.135 0.000 0.773 6 A CB 0.272 18.977 19.000 -0.491 0.000 1.010 6 A HN 0.371 nan 8.150 nan 0.000 0.493 7 V N 4.639 124.601 119.914 0.079 0.000 2.357 7 V HA 0.282 4.401 4.120 -0.000 0.000 0.281 7 V C -0.475 175.693 176.094 0.123 0.000 1.015 7 V CA 0.031 62.439 62.300 0.180 0.000 0.827 7 V CB 0.743 32.734 31.823 0.281 0.000 1.018 7 V HN 0.705 nan 8.190 nan 0.000 0.432 8 I N 4.284 124.841 120.570 -0.021 0.000 2.359 8 I HA 0.587 4.757 4.170 -0.000 0.000 0.284 8 I C 0.785 176.600 176.117 -0.503 0.000 1.018 8 I CA -0.222 60.971 61.300 -0.178 0.000 1.173 8 I CB 1.646 39.485 38.000 -0.268 0.000 1.326 8 I HN 0.648 nan 8.210 nan 0.000 0.462 9 G N 5.193 113.617 108.800 -0.627 0.000 2.372 9 G HA2 0.483 4.443 3.960 -0.000 0.000 0.323 9 G HA3 0.483 4.443 3.960 -0.000 0.000 0.323 9 G C -1.174 173.434 174.900 -0.486 0.000 1.152 9 G CA -0.343 44.036 45.100 -1.202 0.000 0.906 9 G HN 0.347 nan 8.290 nan 0.000 0.460 10 Y N 0.900 120.934 120.300 -0.443 0.000 2.377 10 Y HA 0.217 4.767 4.550 -0.000 0.000 0.330 10 Y C -0.133 175.690 175.900 -0.128 0.000 1.108 10 Y CA 0.323 58.313 58.100 -0.182 0.000 1.308 10 Y CB 1.021 39.428 38.460 -0.090 0.000 1.216 10 Y HN 0.529 nan 8.280 nan 0.000 0.518 11 Y N 6.111 126.411 120.300 0.001 0.000 2.402 11 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 11 Y C -1.582 174.246 175.900 -0.121 0.000 0.960 11 Y CA -1.495 56.629 58.100 0.041 0.000 1.228 11 Y CB 0.231 38.811 38.460 0.201 0.000 1.120 11 Y HN 0.515 nan 8.280 nan 0.000 0.491 12 F N 8.586 128.034 119.950 -0.837 0.000 2.444 12 F HA 0.617 5.144 4.527 -0.000 0.000 0.342 12 F C -1.530 173.839 175.800 -0.718 0.000 1.121 12 F CA -1.441 56.071 58.000 -0.813 0.000 0.997 12 F CB 0.768 39.114 39.000 -1.090 0.000 1.130 12 F HN 0.454 nan 8.300 nan 0.000 0.454 13 I N 9.066 128.836 120.570 -1.334 0.000 2.512 13 I HA 0.487 4.657 4.170 -0.000 0.000 0.287 13 I C -2.630 172.943 176.117 -0.906 0.000 1.069 13 I CA -2.556 58.192 61.300 -0.920 0.000 1.056 13 I CB 1.993 39.865 38.000 -0.213 0.000 1.229 13 I HN 0.402 nan 8.210 nan 0.000 0.429 14 P HA 0.211 nan 4.420 nan 0.000 0.272 14 P C 0.543 177.791 177.300 -0.088 0.000 1.223 14 P CA -0.190 62.701 63.100 -0.348 0.000 0.784 14 P CB 0.596 32.203 31.700 -0.156 0.000 0.923 15 T N 0.133 114.706 114.554 0.033 0.000 2.778 15 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 15 T C 1.465 176.211 174.700 0.077 0.000 1.050 15 T CA 1.796 63.956 62.100 0.101 0.000 1.137 15 T CB -0.757 68.195 68.868 0.141 0.000 0.860 15 T HN 0.635 nan 8.240 nan 0.000 0.468 16 N N 1.119 119.849 118.700 0.050 0.000 2.409 16 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 16 N C 1.655 177.197 175.510 0.054 0.000 1.032 16 N CA 0.750 53.830 53.050 0.049 0.000 0.898 16 N CB -0.219 38.289 38.487 0.036 0.000 0.971 16 N HN 0.481 nan 8.380 nan 0.000 0.441 17 Q N 0.414 120.242 119.800 0.048 0.000 2.187 17 Q HA 0.147 4.487 4.340 -0.000 0.000 0.199 17 Q C 2.207 178.313 176.000 0.177 0.000 0.957 17 Q CA 0.648 56.500 55.803 0.081 0.000 0.857 17 Q CB 0.112 28.879 28.738 0.048 0.000 0.929 17 Q HN 0.405 nan 8.270 nan 0.000 0.453 18 I N 1.382 122.047 120.570 0.158 0.000 2.179 18 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 18 I C 1.464 177.667 176.117 0.143 0.000 1.088 18 I CA 0.927 62.332 61.300 0.175 0.000 1.357 18 I CB -0.238 37.850 38.000 0.146 0.000 1.051 18 I HN 0.185 nan 8.210 nan 0.000 0.409 19 N N 0.734 119.495 118.700 0.102 0.000 2.494 19 N HA -0.063 4.677 4.740 -0.000 0.000 0.182 19 N C 0.559 176.116 175.510 0.078 0.000 1.076 19 N CA 0.764 53.857 53.050 0.071 0.000 0.908 19 N CB -0.188 38.332 38.487 0.055 0.000 0.967 19 N HN 0.386 nan 8.380 nan 0.000 0.449 20 N N -0.222 118.535 118.700 0.095 0.000 2.416 20 N HA -0.027 4.713 4.740 -0.000 0.000 0.267 20 N C -0.757 174.800 175.510 0.079 0.000 1.294 20 N CA -0.297 52.794 53.050 0.069 0.000 0.891 20 N CB 0.370 38.880 38.487 0.039 0.000 1.238 20 N HN 0.198 nan 8.380 nan 0.000 0.508 21 Y N 2.275 122.586 120.300 0.018 0.000 2.721 21 Y HA 0.021 4.571 4.550 -0.000 0.000 0.329 21 Y C 0.547 176.456 175.900 0.015 0.000 1.211 21 Y CA 0.881 58.997 58.100 0.025 0.000 1.512 21 Y CB 0.437 38.917 38.460 0.033 0.000 1.249 21 Y HN -0.092 nan 8.280 nan 0.000 0.549 22 T N 4.725 118.911 114.554 -0.614 0.000 2.894 22 T HA 0.313 4.663 4.350 -0.000 0.000 0.309 22 T C -0.242 174.111 174.700 -0.578 0.000 1.208 22 T CA -0.705 61.129 62.100 -0.445 0.000 1.016 22 T CB 1.330 70.085 68.868 -0.189 0.000 1.192 22 T HN 0.754 nan 8.240 nan 0.000 0.491 23 E N 1.346 121.343 120.200 -0.339 0.000 2.501 23 E HA 0.129 4.479 4.350 -0.000 0.000 0.201 23 E C 0.639 177.160 176.600 -0.133 0.000 1.016 23 E CA 0.118 56.378 56.400 -0.232 0.000 0.920 23 E CB 0.526 30.155 29.700 -0.119 0.000 1.023 23 E HN 0.747 nan 8.360 nan 0.000 0.474 24 T N -2.171 112.308 114.554 -0.124 0.000 3.170 24 T HA 0.140 4.490 4.350 -0.000 0.000 0.288 24 T C -0.056 174.607 174.700 -0.062 0.000 0.992 24 T CA -0.453 61.603 62.100 -0.073 0.000 0.909 24 T CB 0.373 69.209 68.868 -0.053 0.000 1.133 24 T HN -0.170 nan 8.240 nan 0.000 0.530 25 D N 0.420 120.774 120.400 -0.076 0.000 2.337 25 D HA 0.277 4.917 4.640 -0.000 0.000 0.238 25 D C 0.664 176.934 176.300 -0.050 0.000 1.331 25 D CA -0.250 53.718 54.000 -0.054 0.000 0.967 25 D CB 1.593 42.363 40.800 -0.050 0.000 1.382 25 D HN -0.090 nan 8.370 nan 0.000 0.549 26 T N 0.169 114.705 114.554 -0.031 0.000 3.007 26 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 26 T C 1.858 176.552 174.700 -0.009 0.000 1.107 26 T CA 1.578 63.671 62.100 -0.012 0.000 1.118 26 T CB 0.138 69.009 68.868 0.006 0.000 0.889 26 T HN 0.456 nan 8.240 nan 0.000 0.506 27 S N 0.152 115.842 115.700 -0.016 0.000 2.447 27 S HA -0.006 4.464 4.470 -0.000 0.000 0.233 27 S C 1.904 176.495 174.600 -0.015 0.000 1.006 27 S CA 0.480 58.671 58.200 -0.015 0.000 0.957 27 S CB -0.237 62.954 63.200 -0.015 0.000 0.773 27 S HN 0.337 nan 8.310 nan 0.000 0.507 28 V N 0.138 120.039 119.914 -0.023 0.000 3.013 28 V HA 0.303 4.423 4.120 -0.000 0.000 0.238 28 V C 0.270 176.350 176.094 -0.023 0.000 1.161 28 V CA 0.381 62.668 62.300 -0.022 0.000 1.170 28 V CB 0.901 32.707 31.823 -0.029 0.000 0.917 28 V HN 0.369 nan 8.190 nan 0.000 0.478 29 V N 2.052 121.939 119.914 -0.045 0.000 2.305 29 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 29 V C -1.838 174.261 176.094 0.009 0.000 1.020 29 V CA -0.972 61.310 62.300 -0.030 0.000 0.811 29 V CB 1.360 33.111 31.823 -0.118 0.000 1.031 29 V HN 0.300 nan 8.190 nan 0.000 0.439 30 P HA -0.088 nan 4.420 nan 0.000 0.218 30 P C 0.168 177.590 177.300 0.203 0.000 1.149 30 P CA 1.223 64.382 63.100 0.098 0.000 0.817 30 P CB 0.176 31.935 31.700 0.098 0.000 0.785 31 F N 0.639 120.618 119.950 0.048 0.000 2.769 31 F HA 0.397 4.924 4.527 -0.000 0.000 0.358 31 F C -2.678 173.257 175.800 0.226 0.000 1.285 31 F CA -3.040 55.029 58.000 0.115 0.000 1.199 31 F CB 0.847 39.916 39.000 0.115 0.000 1.558 31 F HN -0.189 nan 8.300 nan 0.000 0.583 32 P HA 0.100 nan 4.420 nan 0.000 0.274 32 P C 0.917 178.167 177.300 -0.083 0.000 1.256 32 P CA -0.133 62.974 63.100 0.011 0.000 0.795 32 P CB 1.966 33.569 31.700 -0.162 0.000 1.038 33 V N 0.817 120.797 119.914 0.110 0.000 2.594 33 V HA -0.208 3.912 4.120 -0.000 0.000 0.253 33 V C 2.585 178.617 176.094 -0.102 0.000 1.069 33 V CA 2.570 64.820 62.300 -0.085 0.000 1.082 33 V CB -1.724 30.053 31.823 -0.077 0.000 0.680 33 V HN 0.709 nan 8.190 nan 0.000 0.469 34 S N 0.762 116.428 115.700 -0.057 0.000 2.469 34 S HA -0.184 4.286 4.470 -0.000 0.000 0.238 34 S C 1.558 176.100 174.600 -0.096 0.000 0.998 34 S CA 1.439 59.606 58.200 -0.055 0.000 0.957 34 S CB -0.612 62.569 63.200 -0.032 0.000 0.764 34 S HN 0.608 nan 8.310 nan 0.000 0.514 35 N N 1.344 119.915 118.700 -0.214 0.000 2.494 35 N HA 0.213 4.953 4.740 -0.000 0.000 0.182 35 N C 0.033 175.506 175.510 -0.061 0.000 1.076 35 N CA 0.437 53.370 53.050 -0.194 0.000 0.908 35 N CB -0.319 37.926 38.487 -0.403 0.000 0.967 35 N HN 0.546 nan 8.380 nan 0.000 0.449 36 I N 0.873 121.402 120.570 -0.067 0.000 2.241 36 I HA 0.048 4.218 4.170 -0.000 0.000 0.294 36 I C 0.769 176.901 176.117 0.025 0.000 1.145 36 I CA -0.198 61.145 61.300 0.072 0.000 1.261 36 I CB 0.232 38.299 38.000 0.112 0.000 1.475 36 I HN -0.132 nan 8.210 nan 0.000 0.533 37 T N 5.865 120.429 114.554 0.017 0.000 2.802 37 T HA 0.130 4.480 4.350 -0.000 0.000 0.305 37 T C -1.304 173.326 174.700 -0.116 0.000 1.053 37 T CA -1.233 60.837 62.100 -0.051 0.000 1.058 37 T CB 1.123 69.974 68.868 -0.029 0.000 0.988 37 T HN 0.272 nan 8.240 nan 0.000 0.539 38 P HA -0.124 nan 4.420 nan 0.000 0.216 38 P C 1.208 178.432 177.300 -0.127 0.000 1.154 38 P CA 1.688 64.541 63.100 -0.412 0.000 0.865 38 P CB -0.064 31.341 31.700 -0.493 0.000 0.789 39 A N -0.462 122.315 122.820 -0.072 0.000 1.902 39 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 39 A C 2.071 179.674 177.584 0.031 0.000 1.181 39 A CA 1.785 53.816 52.037 -0.009 0.000 0.623 39 A CB -0.970 18.027 19.000 -0.005 0.000 0.818 39 A HN 0.161 nan 8.150 nan 0.000 0.443 40 K N -0.325 120.105 120.400 0.050 0.000 2.057 40 K HA -0.018 4.301 4.320 -0.000 0.000 0.206 40 K C 2.298 178.971 176.600 0.122 0.000 1.050 40 K CA 1.043 57.395 56.287 0.108 0.000 0.935 40 K CB -0.325 32.265 32.500 0.150 0.000 0.715 40 K HN 0.426 nan 8.250 nan 0.000 0.439 41 A N 1.907 124.783 122.820 0.093 0.000 1.933 41 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 41 A C 1.813 179.463 177.584 0.111 0.000 1.175 41 A CA 1.564 53.670 52.037 0.115 0.000 0.628 41 A CB -0.276 18.803 19.000 0.132 0.000 0.814 41 A HN 0.205 nan 8.150 nan 0.000 0.444 42 K N -0.617 119.838 120.400 0.090 0.000 2.288 42 K HA -0.065 4.255 4.320 -0.000 0.000 0.201 42 K C 1.913 178.568 176.600 0.090 0.000 1.048 42 K CA 1.171 57.508 56.287 0.084 0.000 0.956 42 K CB -0.059 32.481 32.500 0.066 0.000 0.746 42 K HN 0.609 nan 8.250 nan 0.000 0.461 43 Q N 0.194 120.055 119.800 0.103 0.000 2.432 43 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 43 Q C -0.075 176.023 176.000 0.163 0.000 0.945 43 Q CA 0.221 56.095 55.803 0.119 0.000 0.924 43 Q CB 0.258 29.058 28.738 0.104 0.000 1.016 43 Q HN 0.205 nan 8.270 nan 0.000 0.503 44 L N 0.162 121.484 121.223 0.165 0.000 2.343 44 L HA 0.183 4.523 4.340 -0.000 0.000 0.275 44 L C 1.265 178.214 176.870 0.131 0.000 1.056 44 L CA -0.170 54.777 54.840 0.178 0.000 0.804 44 L CB 1.431 43.597 42.059 0.178 0.000 1.203 44 L HN 0.078 nan 8.230 nan 0.000 0.440 45 T N -3.161 111.482 114.554 0.149 0.000 3.000 45 T HA 0.206 4.556 4.350 -0.000 0.000 0.248 45 T C 0.272 174.949 174.700 -0.039 0.000 1.034 45 T CA 0.174 62.325 62.100 0.084 0.000 1.060 45 T CB 0.041 69.010 68.868 0.168 0.000 0.983 45 T HN 0.528 nan 8.240 nan 0.000 0.482 46 H N -0.481 118.600 119.070 0.019 0.000 2.894 46 H HA 0.676 5.232 4.556 -0.000 0.000 0.367 46 H C -1.332 173.980 175.328 -0.027 0.000 1.144 46 H CA -0.965 55.085 56.048 0.004 0.000 1.180 46 H CB 1.579 31.323 29.762 -0.029 0.000 1.758 46 H HN 0.146 nan 8.280 nan 0.000 0.541 47 I N 2.234 122.878 120.570 0.123 0.000 2.389 47 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 47 I C -0.509 175.642 176.117 0.057 0.000 0.999 47 I CA -0.794 60.553 61.300 0.078 0.000 1.129 47 I CB 1.219 39.302 38.000 0.139 0.000 1.288 47 I HN 0.470 nan 8.210 nan 0.000 0.444 48 N N 6.537 125.165 118.700 -0.120 0.000 2.500 48 N HA 0.198 4.938 4.740 -0.000 0.000 0.236 48 N C -0.716 174.776 175.510 -0.029 0.000 1.022 48 N CA -0.286 52.631 53.050 -0.223 0.000 0.935 48 N CB 0.724 38.741 38.487 -0.784 0.000 1.147 48 N HN 0.405 nan 8.380 nan 0.000 0.512 49 F N 1.997 121.962 119.950 0.024 0.000 2.504 49 F HA 0.226 4.753 4.527 -0.000 0.000 0.369 49 F C 0.025 175.845 175.800 0.034 0.000 1.082 49 F CA 0.166 58.256 58.000 0.151 0.000 1.216 49 F CB 0.480 39.666 39.000 0.311 0.000 1.108 49 F HN 0.162 nan 8.300 nan 0.000 0.554 50 S N 5.905 121.212 115.700 -0.655 0.000 2.541 50 S HA 0.656 5.126 4.470 -0.000 0.000 0.280 50 S C -1.446 172.883 174.600 -0.452 0.000 1.112 50 S CA -0.467 57.362 58.200 -0.617 0.000 0.925 50 S CB 1.267 63.941 63.200 -0.877 0.000 1.067 50 S HN 0.463 nan 8.310 nan 0.000 0.479 51 F N 1.664 121.689 119.950 0.125 0.000 2.540 51 F HA 0.625 5.152 4.527 -0.000 0.000 0.317 51 F C -0.280 175.631 175.800 0.185 0.000 1.104 51 F CA -0.785 57.347 58.000 0.220 0.000 0.913 51 F CB 1.064 40.278 39.000 0.357 0.000 1.170 51 F HN 0.307 nan 8.300 nan 0.000 0.450 52 L N 1.543 122.946 121.223 0.300 0.000 2.440 52 L HA 0.542 4.882 4.340 -0.000 0.000 0.262 52 L C -0.252 176.721 176.870 0.172 0.000 1.072 52 L CA -0.152 54.728 54.840 0.067 0.000 0.798 52 L CB 0.866 42.798 42.059 -0.211 0.000 1.307 52 L HN 0.557 nan 8.230 nan 0.000 0.475 53 D N -1.315 119.060 120.400 -0.043 0.000 2.714 53 D HA 0.545 5.185 4.640 -0.000 0.000 0.278 53 D C -1.304 174.894 176.300 -0.171 0.000 1.102 53 D CA -0.360 53.522 54.000 -0.196 0.000 1.108 53 D CB 1.462 41.852 40.800 -0.684 0.000 1.444 53 D HN 0.234 nan 8.370 nan 0.000 0.568 54 I N 2.151 122.506 120.570 -0.358 0.000 2.378 54 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 54 I C 0.206 176.123 176.117 -0.334 0.000 0.992 54 I CA -0.893 60.153 61.300 -0.424 0.000 1.154 54 I CB 1.328 38.795 38.000 -0.888 0.000 1.315 54 I HN 0.320 nan 8.210 nan 0.000 0.448 55 N N 3.241 121.820 118.700 -0.201 0.000 2.476 55 N HA 0.185 4.925 4.740 -0.000 0.000 0.287 55 N C 0.521 175.944 175.510 -0.145 0.000 1.262 55 N CA -0.723 52.238 53.050 -0.148 0.000 0.980 55 N CB 0.382 38.825 38.487 -0.073 0.000 1.163 55 N HN 0.395 nan 8.380 nan 0.000 0.592 56 S N -1.079 114.562 115.700 -0.099 0.000 2.474 56 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 56 S C 1.099 175.654 174.600 -0.075 0.000 0.997 56 S CA 0.691 58.839 58.200 -0.088 0.000 0.949 56 S CB -0.675 62.491 63.200 -0.057 0.000 0.766 56 S HN 0.668 nan 8.310 nan 0.000 0.517 57 N N 1.091 119.756 118.700 -0.059 0.000 2.461 57 N HA 0.143 4.883 4.740 -0.000 0.000 0.188 57 N C 0.147 175.627 175.510 -0.051 0.000 1.134 57 N CA 0.084 53.109 53.050 -0.042 0.000 0.878 57 N CB -0.393 38.083 38.487 -0.018 0.000 0.972 57 N HN 0.260 nan 8.380 nan 0.000 0.456 58 L N -0.556 120.610 121.223 -0.095 0.000 3.730 58 L HA -0.250 4.090 4.340 -0.000 0.000 0.410 58 L C -0.799 176.060 176.870 -0.018 0.000 1.234 58 L CA 0.539 55.300 54.840 -0.132 0.000 0.911 58 L CB -1.858 40.125 42.059 -0.127 0.000 1.942 58 L HN 0.306 nan 8.230 nan 0.000 0.860 59 E N -0.566 119.642 120.200 0.013 0.000 2.277 59 E HA 0.400 4.750 4.350 -0.000 0.000 0.266 59 E C -0.261 176.402 176.600 0.104 0.000 0.901 59 E CA -0.762 55.704 56.400 0.111 0.000 0.782 59 E CB 2.700 32.432 29.700 0.053 0.000 1.228 59 E HN 0.294 nan 8.360 nan 0.000 0.424 60 C N 2.086 121.479 119.300 0.155 0.000 2.642 60 C HA 0.604 5.064 4.460 -0.000 0.000 0.420 60 C C -0.034 174.972 174.990 0.027 0.000 1.349 60 C CA 0.189 59.268 59.018 0.102 0.000 1.821 60 C CB -1.482 26.316 27.740 0.097 0.000 2.637 60 C HN 0.647 nan 8.230 nan 0.000 0.605 61 A N 5.025 127.831 122.820 -0.023 0.000 2.599 61 A HA 0.612 4.932 4.320 -0.000 0.000 0.294 61 A C -1.388 176.170 177.584 -0.043 0.000 1.055 61 A CA -0.655 51.383 52.037 0.001 0.000 0.683 61 A CB 0.088 19.112 19.000 0.040 0.000 1.278 61 A HN 0.936 nan 8.150 nan 0.000 0.412 62 W N 1.275 122.576 121.300 0.003 0.000 2.137 62 W HA 0.385 5.045 4.660 -0.000 0.000 0.344 62 W C 0.765 177.310 176.519 0.045 0.000 1.286 62 W CA 1.009 58.377 57.345 0.040 0.000 1.240 62 W CB 0.432 29.904 29.460 0.020 0.000 1.141 62 W HN 0.775 nan 8.180 nan 0.000 0.579 63 D N 3.656 124.254 120.400 0.330 0.000 2.583 63 D HA -0.089 4.551 4.640 -0.000 0.000 0.232 63 D C -0.954 175.488 176.300 0.237 0.000 1.128 63 D CA -1.095 53.058 54.000 0.255 0.000 0.859 63 D CB 1.050 42.053 40.800 0.337 0.000 1.169 63 D HN 0.059 nan 8.370 nan 0.000 0.481 64 P HA -0.099 nan 4.420 nan 0.000 0.222 64 P C 0.658 178.024 177.300 0.110 0.000 1.147 64 P CA 1.046 64.220 63.100 0.123 0.000 0.790 64 P CB 0.008 31.761 31.700 0.089 0.000 0.780 65 A N -0.657 122.238 122.820 0.125 0.000 2.259 65 A HA 0.120 4.440 4.320 -0.000 0.000 0.208 65 A C 0.805 178.441 177.584 0.088 0.000 1.201 65 A CA 0.259 52.355 52.037 0.097 0.000 0.824 65 A CB -1.110 17.951 19.000 0.101 0.000 0.838 65 A HN 0.129 nan 8.150 nan 0.000 0.485 66 T N 1.826 116.442 114.554 0.102 0.000 2.851 66 T HA 0.103 4.453 4.350 -0.000 0.000 0.298 66 T C 0.273 174.966 174.700 -0.013 0.000 0.977 66 T CA -0.421 61.717 62.100 0.063 0.000 1.126 66 T CB 0.454 69.372 68.868 0.082 0.000 0.916 66 T HN 0.433 nan 8.240 nan 0.000 0.529 67 N N 2.442 121.126 118.700 -0.026 0.000 2.420 67 N HA -0.014 4.726 4.740 -0.000 0.000 0.262 67 N C 0.581 176.013 175.510 -0.131 0.000 1.144 67 N CA -0.107 52.911 53.050 -0.055 0.000 0.952 67 N CB 1.245 39.716 38.487 -0.026 0.000 1.081 67 N HN 0.604 nan 8.380 nan 0.000 0.480 68 D N 3.574 123.883 120.400 -0.151 0.000 2.183 68 D HA 0.006 4.646 4.640 -0.000 0.000 0.203 68 D C 1.637 177.823 176.300 -0.189 0.000 0.969 68 D CA 1.289 55.153 54.000 -0.227 0.000 0.842 68 D CB 0.261 40.969 40.800 -0.153 0.000 0.957 68 D HN 0.661 nan 8.370 nan 0.000 0.484 69 A N 0.522 123.265 122.820 -0.129 0.000 1.930 69 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 69 A C 2.089 179.599 177.584 -0.122 0.000 1.175 69 A CA 1.048 53.016 52.037 -0.115 0.000 0.627 69 A CB -0.310 nan 19.000 nan 0.000 0.815 69 A HN 0.048 nan 8.150 nan 0.000 0.443 70 K N 0.141 120.476 120.400 -0.108 0.000 2.026 70 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 70 K C 2.288 178.785 176.600 -0.172 0.000 1.048 70 K CA 1.442 57.670 56.287 -0.099 0.000 0.929 70 K CB -0.918 31.557 32.500 -0.042 0.000 0.713 70 K HN 0.436 nan 8.250 nan 0.000 0.439 71 A N 1.814 124.499 122.820 -0.226 0.000 1.902 71 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 71 A C 2.259 179.665 177.584 -0.297 0.000 1.181 71 A CA 1.453 53.293 52.037 -0.327 0.000 0.623 71 A CB -0.423 18.115 19.000 -0.769 0.000 0.818 71 A HN 0.278 nan 8.150 nan 0.000 0.443 72 R N -0.744 119.619 120.500 -0.229 0.000 2.092 72 R HA -0.140 4.200 4.340 -0.000 0.000 0.231 72 R C 1.952 178.139 176.300 -0.188 0.000 1.119 72 R CA 1.475 57.490 56.100 -0.141 0.000 0.970 72 R CB -0.392 29.823 30.300 -0.141 0.000 0.864 72 R HN 0.695 nan 8.270 nan 0.000 0.440 73 D N 0.174 120.459 120.400 -0.192 0.000 2.117 73 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 73 D C 1.739 177.877 176.300 -0.270 0.000 0.987 73 D CA 0.946 54.830 54.000 -0.193 0.000 0.829 73 D CB 0.193 40.901 40.800 -0.154 0.000 0.961 73 D HN -0.073 nan 8.370 nan 0.000 0.460 74 V N -0.115 119.587 119.914 -0.354 0.000 2.295 74 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 74 V C 2.606 178.507 176.094 -0.323 0.000 1.049 74 V CA 1.323 63.361 62.300 -0.437 0.000 1.024 74 V CB -0.388 31.210 31.823 -0.374 0.000 0.648 74 V HN 0.176 nan 8.190 nan 0.000 0.447 75 V N 0.708 120.416 119.914 -0.343 0.000 2.343 75 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 75 V C 2.319 178.231 176.094 -0.303 0.000 1.051 75 V CA 2.045 64.099 62.300 -0.411 0.000 1.036 75 V CB -0.874 30.629 31.823 -0.533 0.000 0.654 75 V HN 0.573 nan 8.190 nan 0.000 0.451 76 N N 0.358 118.910 118.700 -0.248 0.000 2.166 76 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 76 N C 1.943 177.361 175.510 -0.153 0.000 1.019 76 N CA 1.220 54.157 53.050 -0.188 0.000 0.856 76 N CB -0.355 38.035 38.487 -0.160 0.000 0.993 76 N HN 0.497 nan 8.380 nan 0.000 0.426 77 R N 0.417 120.821 120.500 -0.159 0.000 2.096 77 R HA 0.019 4.359 4.340 -0.000 0.000 0.235 77 R C 2.202 178.437 176.300 -0.108 0.000 1.127 77 R CA 0.769 56.801 56.100 -0.114 0.000 0.968 77 R CB -0.339 29.897 30.300 -0.106 0.000 0.861 77 R HN 0.209 nan 8.270 nan 0.000 0.440 78 L N 0.112 121.246 121.223 -0.149 0.000 2.056 78 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 78 L C 2.626 179.457 176.870 -0.065 0.000 1.078 78 L CA 1.667 56.440 54.840 -0.111 0.000 0.749 78 L CB -0.706 41.283 42.059 -0.116 0.000 0.901 78 L HN 0.364 nan 8.230 nan 0.000 0.433 79 T N -2.872 111.624 114.554 -0.096 0.000 2.962 79 T HA -0.041 4.309 4.350 -0.000 0.000 0.270 79 T C 1.855 176.513 174.700 -0.069 0.000 1.088 79 T CA 0.739 62.796 62.100 -0.071 0.000 1.127 79 T CB -0.275 68.531 68.868 -0.103 0.000 0.883 79 T HN 0.287 nan 8.240 nan 0.000 0.493 80 A N 1.642 124.415 122.820 -0.078 0.000 2.070 80 A HA 0.203 4.523 4.320 -0.000 0.000 0.220 80 A C 2.285 179.809 177.584 -0.100 0.000 1.159 80 A CA 0.880 52.865 52.037 -0.087 0.000 0.656 80 A CB -0.882 18.075 19.000 -0.071 0.000 0.800 80 A HN 0.580 nan 8.150 nan 0.000 0.453 81 L N -0.931 120.278 121.223 -0.023 0.000 2.353 81 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 81 L C 2.125 178.998 176.870 0.006 0.000 1.133 81 L CA 1.170 56.056 54.840 0.077 0.000 0.798 81 L CB -0.366 41.767 42.059 0.124 0.000 0.922 81 L HN 0.334 nan 8.230 nan 0.000 0.445 82 K N 0.309 120.682 120.400 -0.045 0.000 2.442 82 K HA -0.061 4.259 4.320 -0.000 0.000 0.198 82 K C 2.145 178.685 176.600 -0.099 0.000 1.042 82 K CA 0.855 57.116 56.287 -0.044 0.000 0.958 82 K CB -0.156 32.322 32.500 -0.037 0.000 0.766 82 K HN 0.283 nan 8.250 nan 0.000 0.474 83 A N 1.021 123.705 122.820 -0.226 0.000 2.070 83 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 83 A C 1.300 178.707 177.584 -0.294 0.000 1.159 83 A CA 1.207 53.062 52.037 -0.303 0.000 0.656 83 A CB -0.398 18.340 19.000 -0.436 0.000 0.800 83 A HN 0.302 nan 8.150 nan 0.000 0.453 84 H N -1.997 117.074 119.070 0.002 0.000 2.648 84 H HA 0.139 4.695 4.556 -0.000 0.000 0.265 84 H C -0.219 175.117 175.328 0.013 0.000 0.961 84 H CA 0.619 56.672 56.048 0.009 0.000 1.185 84 H CB 0.312 30.083 29.762 0.015 0.000 1.449 84 H HN 0.522 nan 8.280 nan 0.000 0.523 85 N N 0.836 119.591 118.700 0.091 0.000 2.699 85 N HA 0.069 4.809 4.740 -0.000 0.000 0.271 85 N C -2.503 173.019 175.510 0.021 0.000 1.216 85 N CA -1.376 51.711 53.050 0.062 0.000 0.844 85 N CB 1.652 40.186 38.487 0.078 0.000 1.462 85 N HN -0.171 nan 8.380 nan 0.000 0.555 86 P HA 0.075 nan 4.420 nan 0.000 0.242 86 P C 0.340 177.630 177.300 -0.017 0.000 1.197 86 P CA 0.534 63.628 63.100 -0.010 0.000 0.765 86 P CB 0.435 32.130 31.700 -0.009 0.000 0.936 87 S N -0.696 114.997 115.700 -0.011 0.000 2.517 87 S HA 0.089 4.559 4.470 -0.000 0.000 0.214 87 S C 0.746 175.308 174.600 -0.064 0.000 0.991 87 S CA -0.389 57.794 58.200 -0.029 0.000 0.906 87 S CB -0.438 62.757 63.200 -0.009 0.000 0.789 87 S HN 0.088 nan 8.310 nan 0.000 0.513 88 L N 3.384 124.583 121.223 -0.040 0.000 2.455 88 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 88 L C 0.015 176.843 176.870 -0.071 0.000 1.174 88 L CA 0.546 55.356 54.840 -0.050 0.000 0.869 88 L CB 0.218 42.284 42.059 0.011 0.000 1.130 88 L HN 0.017 nan 8.230 nan 0.000 0.474 89 R N 5.836 126.259 120.500 -0.128 0.000 2.494 89 R HA 0.537 4.877 4.340 -0.000 0.000 0.305 89 R C -1.076 175.265 176.300 0.068 0.000 0.959 89 R CA -0.922 55.150 56.100 -0.048 0.000 0.864 89 R CB 1.550 31.778 30.300 -0.121 0.000 1.159 89 R HN 0.496 nan 8.270 nan 0.000 0.446 90 I N 4.783 125.446 120.570 0.155 0.000 2.307 90 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 90 I C 0.197 176.541 176.117 0.378 0.000 1.054 90 I CA -0.300 61.153 61.300 0.255 0.000 1.218 90 I CB 0.670 38.822 38.000 0.252 0.000 1.398 90 I HN 0.497 nan 8.210 nan 0.000 0.475 91 M N 6.516 126.274 119.600 0.263 0.000 2.368 91 M HA 0.457 4.937 4.480 -0.000 0.000 0.311 91 M C -0.301 176.012 176.300 0.021 0.000 1.168 91 M CA -0.483 54.906 55.300 0.147 0.000 1.044 91 M CB 1.288 33.916 32.600 0.047 0.000 1.506 91 M HN 0.393 nan 8.290 nan 0.000 0.475 92 F N -1.047 118.649 119.950 -0.424 0.000 2.532 92 F HA 0.758 5.285 4.527 -0.000 0.000 0.321 92 F C -0.597 175.054 175.800 -0.248 0.000 1.089 92 F CA -0.967 56.681 58.000 -0.586 0.000 0.926 92 F CB 0.985 39.126 39.000 -1.433 0.000 1.168 92 F HN 0.417 nan 8.300 nan 0.000 0.459 93 S N 3.688 119.331 115.700 -0.094 0.000 2.489 93 S HA 0.669 5.139 4.470 -0.000 0.000 0.291 93 S C -0.438 174.303 174.600 0.235 0.000 1.151 93 S CA -0.592 57.631 58.200 0.039 0.000 1.082 93 S CB 0.979 64.311 63.200 0.221 0.000 1.019 93 S HN 0.568 nan 8.310 nan 0.000 0.492 94 I N 2.906 123.606 120.570 0.216 0.000 2.362 94 I HA 0.633 4.803 4.170 -0.000 0.000 0.289 94 I C 0.873 177.210 176.117 0.367 0.000 0.994 94 I CA -0.036 61.446 61.300 0.303 0.000 1.158 94 I CB 1.054 39.193 38.000 0.231 0.000 1.315 94 I HN 0.917 nan 8.210 nan 0.000 0.451 95 G N 4.293 113.307 108.800 0.357 0.000 2.637 95 G HA2 0.306 4.266 3.960 -0.000 0.000 0.211 95 G HA3 0.306 4.266 3.960 -0.000 0.000 0.211 95 G C 0.072 174.672 174.900 -0.500 0.000 1.213 95 G CA 0.057 45.202 45.100 0.075 0.000 1.207 95 G HN 1.529 nan 8.290 nan 0.000 0.559 96 G N -1.840 106.541 108.800 -0.698 0.000 2.746 96 G HA2 0.048 4.008 3.960 -0.000 0.000 0.685 96 G HA3 0.048 4.008 3.960 -0.000 0.000 0.685 96 G C 0.766 175.310 174.900 -0.594 0.000 1.350 96 G CA 0.536 45.007 45.100 -1.049 0.000 0.837 96 G HN 1.978 nan 8.290 nan 0.000 0.564 97 W N 0.265 121.185 121.300 -0.633 0.000 2.335 97 W HA -0.188 4.472 4.660 -0.000 0.000 0.311 97 W C 2.097 178.388 176.519 -0.380 0.000 1.213 97 W CA 2.661 59.719 57.345 -0.477 0.000 1.274 97 W CB -0.364 28.848 29.460 -0.414 0.000 1.148 97 W HN 0.719 nan 8.180 nan 0.000 0.498 98 Y N 0.551 120.614 120.300 -0.395 0.000 2.081 98 Y HA -0.349 4.201 4.550 -0.000 0.000 0.280 98 Y C 2.395 178.041 175.900 -0.422 0.000 1.163 98 Y CA 2.733 60.591 58.100 -0.404 0.000 1.135 98 Y CB -1.314 36.894 38.460 -0.420 0.000 0.970 98 Y HN -0.091 nan 8.280 nan 0.000 0.498 99 Y N -0.540 119.509 120.300 -0.419 0.000 2.243 99 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 99 Y C 2.830 178.380 175.900 -0.582 0.000 1.124 99 Y CA 1.219 59.048 58.100 -0.451 0.000 1.159 99 Y CB -0.884 37.455 38.460 -0.203 0.000 1.008 99 Y HN 0.304 nan 8.280 nan 0.000 0.527 100 S N -0.351 114.990 115.700 -0.597 0.000 2.539 100 S HA 0.095 4.565 4.470 -0.000 0.000 0.221 100 S C 0.357 174.604 174.600 -0.589 0.000 0.987 100 S CA -0.398 57.289 58.200 -0.855 0.000 0.929 100 S CB -1.146 61.322 63.200 -1.221 0.000 0.832 100 S HN 0.480 nan 8.310 nan 0.000 0.492 101 N N 1.614 119.799 118.700 -0.858 0.000 2.326 101 N HA 0.094 4.834 4.740 -0.000 0.000 0.239 101 N C 0.233 175.284 175.510 -0.764 0.000 1.301 101 N CA 0.023 52.433 53.050 -1.067 0.000 0.909 101 N CB 0.192 37.308 38.487 -2.285 0.000 1.156 101 N HN -0.180 nan 8.380 nan 0.000 0.462 102 D N -0.107 119.851 120.400 -0.736 0.000 2.190 102 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 102 D C 1.027 176.900 176.300 -0.712 0.000 0.992 102 D CA 1.327 54.761 54.000 -0.942 0.000 0.854 102 D CB -0.122 40.399 40.800 -0.464 0.000 0.936 102 D HN 0.516 nan 8.370 nan 0.000 0.462 103 L N -0.016 120.913 121.223 -0.490 0.000 2.741 103 L HA 0.309 4.649 4.340 -0.000 0.000 0.237 103 L C 1.200 177.878 176.870 -0.320 0.000 1.178 103 L CA -0.508 54.144 54.840 -0.315 0.000 0.973 103 L CB 0.245 42.182 42.059 -0.203 0.000 1.255 103 L HN -0.136 nan 8.230 nan 0.000 0.498 104 G N -0.001 108.550 108.800 -0.415 0.000 2.507 104 G HA2 0.317 4.277 3.960 -0.000 0.000 0.271 104 G HA3 0.317 4.277 3.960 -0.000 0.000 0.271 104 G C 1.164 175.888 174.900 -0.294 0.000 1.189 104 G CA -0.166 44.669 45.100 -0.442 0.000 0.859 104 G HN 0.006 nan 8.290 nan 0.000 0.542 105 V N -0.927 118.777 119.914 -0.349 0.000 2.594 105 V HA -0.052 4.068 4.120 -0.000 0.000 0.253 105 V C 1.795 177.827 176.094 -0.104 0.000 1.069 105 V CA 2.082 64.265 62.300 -0.196 0.000 1.082 105 V CB -0.321 31.393 31.823 -0.182 0.000 0.680 105 V HN 0.431 nan 8.190 nan 0.000 0.469 106 S N -1.198 114.451 115.700 -0.085 0.000 2.602 106 S HA 0.201 4.671 4.470 -0.000 0.000 0.240 106 S C 1.446 176.053 174.600 0.011 0.000 0.992 106 S CA -0.023 58.158 58.200 -0.032 0.000 0.971 106 S CB -0.603 62.594 63.200 -0.005 0.000 0.855 106 S HN 0.789 nan 8.310 nan 0.000 0.481 107 H N 2.202 121.177 119.070 -0.158 0.000 2.353 107 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 107 H C 2.136 177.393 175.328 -0.119 0.000 1.103 107 H CA 1.692 57.621 56.048 -0.198 0.000 1.293 107 H CB -0.038 29.597 29.762 -0.211 0.000 1.372 107 H HN 0.480 nan 8.280 nan 0.000 0.501 108 A N 0.870 123.610 122.820 -0.135 0.000 1.978 108 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 108 A C 2.186 179.620 177.584 -0.251 0.000 1.170 108 A CA 1.756 53.686 52.037 -0.178 0.000 0.636 108 A CB -0.668 18.283 19.000 -0.081 0.000 0.810 108 A HN 0.703 nan 8.150 nan 0.000 0.448 109 N N -1.973 116.574 118.700 -0.256 0.000 2.331 109 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 109 N C 1.432 176.582 175.510 -0.602 0.000 1.019 109 N CA 1.140 53.967 53.050 -0.371 0.000 0.881 109 N CB -0.269 37.989 38.487 -0.381 0.000 0.972 109 N HN 0.596 nan 8.380 nan 0.000 0.435 110 Y N 1.180 121.029 120.300 -0.753 0.000 2.114 110 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 110 Y C 2.480 177.786 175.900 -0.990 0.000 1.143 110 Y CA 0.827 58.210 58.100 -1.195 0.000 1.135 110 Y CB -0.676 36.619 38.460 -1.941 0.000 0.980 110 Y HN -0.149 nan 8.280 nan 0.000 0.499 111 V N 0.494 120.061 119.914 -0.579 0.000 2.287 111 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 111 V C 1.602 177.600 176.094 -0.159 0.000 1.053 111 V CA 2.472 64.654 62.300 -0.198 0.000 1.027 111 V CB -0.822 30.898 31.823 -0.171 0.000 0.646 111 V HN 0.493 nan 8.190 nan 0.000 0.447 112 N N 0.180 118.744 118.700 -0.226 0.000 2.216 112 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 112 N C 1.908 177.303 175.510 -0.192 0.000 1.017 112 N CA 0.977 53.927 53.050 -0.166 0.000 0.861 112 N CB -0.322 38.073 38.487 -0.154 0.000 0.986 112 N HN 0.462 nan 8.380 nan 0.000 0.428 113 A N 0.937 123.556 122.820 -0.334 0.000 1.978 113 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 113 A C 2.071 179.518 177.584 -0.229 0.000 1.170 113 A CA 1.559 53.376 52.037 -0.366 0.000 0.636 113 A CB -0.613 17.916 19.000 -0.785 0.000 0.810 113 A HN 0.268 nan 8.150 nan 0.000 0.448 114 V N -4.324 115.499 119.914 -0.151 0.000 3.542 114 V HA 0.230 4.350 4.120 -0.000 0.000 0.296 114 V C 1.358 177.481 176.094 0.049 0.000 1.364 114 V CA 0.651 62.957 62.300 0.011 0.000 1.118 114 V CB -0.214 31.715 31.823 0.176 0.000 0.972 114 V HN 0.363 nan 8.190 nan 0.000 0.430 115 K N 1.801 122.208 120.400 0.011 0.000 2.186 115 K HA 0.096 4.416 4.320 -0.000 0.000 0.202 115 K C 1.077 177.693 176.600 0.026 0.000 1.052 115 K CA 1.442 57.744 56.287 0.026 0.000 0.965 115 K CB 0.140 32.642 32.500 0.002 0.000 0.746 115 K HN 0.755 nan 8.250 nan 0.000 0.457 116 T N -2.589 111.976 114.554 0.019 0.000 2.924 116 T HA 0.281 4.631 4.350 -0.000 0.000 0.291 116 T C -2.498 172.218 174.700 0.027 0.000 1.045 116 T CA -2.147 59.965 62.100 0.020 0.000 1.015 116 T CB 2.082 70.957 68.868 0.012 0.000 1.103 116 T HN -0.294 nan 8.240 nan 0.000 0.496 117 P HA -0.015 nan 4.420 nan 0.000 0.216 117 P C 1.590 178.907 177.300 0.027 0.000 1.150 117 P CA 1.466 64.582 63.100 0.027 0.000 0.837 117 P CB -0.226 31.487 31.700 0.021 0.000 0.786 118 A N 0.145 122.978 122.820 0.021 0.000 1.873 118 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 118 A C 2.396 179.995 177.584 0.027 0.000 1.186 118 A CA 2.274 54.323 52.037 0.019 0.000 0.616 118 A CB -1.601 17.406 19.000 0.012 0.000 0.823 118 A HN 0.334 nan 8.150 nan 0.000 0.442 119 S N -0.248 115.465 115.700 0.023 0.000 2.402 119 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 119 S C 1.974 176.617 174.600 0.072 0.000 1.021 119 S CA 1.068 59.283 58.200 0.026 0.000 0.974 119 S CB -0.434 62.761 63.200 -0.008 0.000 0.800 119 S HN 0.587 nan 8.310 nan 0.000 0.484 120 R N 1.186 121.733 120.500 0.077 0.000 2.092 120 R HA 0.137 4.477 4.340 -0.000 0.000 0.231 120 R C 2.705 179.074 176.300 0.115 0.000 1.119 120 R CA 1.195 57.372 56.100 0.128 0.000 0.970 120 R CB -0.644 29.710 30.300 0.091 0.000 0.864 120 R HN 0.586 nan 8.270 nan 0.000 0.440 121 A N 1.218 124.076 122.820 0.064 0.000 1.929 121 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 121 A C 2.026 179.629 177.584 0.031 0.000 1.176 121 A CA 1.080 53.138 52.037 0.035 0.000 0.628 121 A CB -0.234 18.779 19.000 0.021 0.000 0.816 121 A HN 0.155 nan 8.150 nan 0.000 0.444 122 K N -1.426 119.004 120.400 0.050 0.000 2.026 122 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 122 K C 1.799 178.443 176.600 0.074 0.000 1.048 122 K CA 1.673 57.989 56.287 0.048 0.000 0.929 122 K CB -0.326 32.202 32.500 0.047 0.000 0.713 122 K HN 0.411 nan 8.250 nan 0.000 0.439 123 F N 1.319 121.245 119.950 -0.040 0.000 2.102 123 F HA -0.144 4.383 4.527 0.000 0.000 0.298 123 F C 1.998 177.780 175.800 -0.030 0.000 1.105 123 F CA 1.491 59.460 58.000 -0.051 0.000 1.239 123 F CB -0.735 38.224 39.000 -0.070 0.000 0.991 123 F HN 0.063 nan 8.300 nan 0.000 0.474 124 A N 0.176 122.859 122.820 -0.228 0.000 1.902 124 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 124 A C 2.175 179.622 177.584 -0.229 0.000 1.181 124 A CA 1.677 53.531 52.037 -0.305 0.000 0.623 124 A CB -0.813 18.123 19.000 -0.108 0.000 0.818 124 A HN 0.549 nan 8.150 nan 0.000 0.443 125 Q N 0.183 119.906 119.800 -0.127 0.000 2.124 125 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 125 Q C 2.525 178.468 176.000 -0.095 0.000 0.977 125 Q CA 1.896 57.647 55.803 -0.086 0.000 0.850 125 Q CB -0.469 28.243 28.738 -0.043 0.000 0.901 125 Q HN 0.859 nan 8.270 nan 0.000 0.429 126 S N -0.479 115.151 115.700 -0.117 0.000 2.402 126 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 126 S C 2.297 176.841 174.600 -0.092 0.000 1.021 126 S CA 0.979 59.133 58.200 -0.076 0.000 0.974 126 S CB -0.594 62.586 63.200 -0.034 0.000 0.800 126 S HN 0.330 nan 8.310 nan 0.000 0.484 127 C N 1.303 120.471 119.300 -0.219 0.000 2.429 127 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 127 C C 2.779 177.792 174.990 0.039 0.000 1.262 127 C CA 0.628 59.586 59.018 -0.099 0.000 1.733 127 C CB -1.348 26.208 27.740 -0.306 0.000 2.010 127 C HN 0.533 nan 8.230 nan 0.000 0.483 128 V N 0.788 120.669 119.914 -0.054 0.000 2.453 128 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 128 V C 2.595 178.671 176.094 -0.030 0.000 1.048 128 V CA 1.877 64.146 62.300 -0.051 0.000 1.049 128 V CB -0.768 31.001 31.823 -0.090 0.000 0.672 128 V HN 0.500 nan 8.190 nan 0.000 0.457 129 R N 0.108 120.595 120.500 -0.021 0.000 2.073 129 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 129 R C 2.300 178.624 176.300 0.041 0.000 1.134 129 R CA 1.664 57.763 56.100 -0.001 0.000 0.952 129 R CB -0.186 30.115 30.300 0.003 0.000 0.850 129 R HN 0.319 nan 8.270 nan 0.000 0.433 130 I N 1.011 121.612 120.570 0.052 0.000 2.208 130 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 130 I C 2.520 178.694 176.117 0.095 0.000 1.097 130 I CA 1.461 62.809 61.300 0.080 0.000 1.363 130 I CB -0.902 36.994 38.000 -0.173 0.000 1.051 130 I HN 0.450 nan 8.210 nan 0.000 0.413 131 M N 0.423 120.066 119.600 0.070 0.000 2.073 131 M HA -0.262 4.218 4.480 -0.000 0.000 0.258 131 M C 2.237 178.623 176.300 0.142 0.000 1.070 131 M CA 1.912 57.347 55.300 0.225 0.000 1.103 131 M CB -0.146 32.581 32.600 0.211 0.000 1.321 131 M HN 0.021 nan 8.290 nan 0.000 0.405 132 K N 0.058 120.471 120.400 0.023 0.000 2.097 132 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 132 K C 1.646 178.228 176.600 -0.031 0.000 1.050 132 K CA 1.493 57.767 56.287 -0.021 0.000 0.938 132 K CB -0.770 31.697 32.500 -0.055 0.000 0.718 132 K HN 0.444 nan 8.250 nan 0.000 0.442 133 D N -0.342 120.042 120.400 -0.027 0.000 2.144 133 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 133 D C 1.338 177.433 176.300 -0.341 0.000 0.978 133 D CA 1.144 55.040 54.000 -0.174 0.000 0.833 133 D CB 0.083 40.775 40.800 -0.179 0.000 0.961 133 D HN 0.182 nan 8.370 nan 0.000 0.470 134 Y N -0.902 119.329 120.300 -0.115 0.000 2.500 134 Y HA 0.309 4.859 4.550 -0.000 0.000 0.270 134 Y C 1.757 177.396 175.900 -0.434 0.000 1.134 134 Y CA 0.494 58.429 58.100 -0.274 0.000 1.293 134 Y CB 0.738 39.028 38.460 -0.284 0.000 1.063 134 Y HN 0.080 nan 8.280 nan 0.000 0.534 135 G N -0.238 108.464 108.800 -0.162 0.000 2.142 135 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.225 135 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.225 135 G C -0.170 174.673 174.900 -0.095 0.000 1.015 135 G CA -0.466 44.555 45.100 -0.133 0.000 0.716 135 G HN 0.125 nan 8.290 nan 0.000 0.508 136 F N 0.300 120.312 119.950 0.104 0.000 2.403 136 F HA 0.465 4.992 4.527 -0.000 0.000 0.320 136 F C 1.334 177.268 175.800 0.222 0.000 1.176 136 F CA -0.437 57.663 58.000 0.166 0.000 1.206 136 F CB 0.666 39.823 39.000 0.262 0.000 1.235 136 F HN -0.022 nan 8.300 nan 0.000 0.565 137 D N 0.098 120.783 120.400 0.475 0.000 2.398 137 D HA 0.307 4.947 4.640 -0.000 0.000 0.210 137 D C 0.668 177.232 176.300 0.438 0.000 1.094 137 D CA 0.448 54.714 54.000 0.442 0.000 0.839 137 D CB 0.804 41.759 40.800 0.258 0.000 0.963 137 D HN 0.633 nan 8.370 nan 0.000 0.506 138 G N -0.484 108.518 108.800 0.338 0.000 2.320 138 G HA2 0.341 4.301 3.960 -0.000 0.000 0.296 138 G HA3 0.341 4.301 3.960 -0.000 0.000 0.296 138 G C -1.870 173.022 174.900 -0.012 0.000 1.306 138 G CA -0.609 44.604 45.100 0.188 0.000 0.836 138 G HN -0.076 nan 8.290 nan 0.000 0.517 139 V N 0.732 120.543 119.914 -0.172 0.000 2.487 139 V HA 0.618 4.738 4.120 -0.000 0.000 0.298 139 V C -0.444 175.456 176.094 -0.323 0.000 1.028 139 V CA -0.958 61.037 62.300 -0.508 0.000 0.860 139 V CB 1.653 33.235 31.823 -0.401 0.000 0.991 139 V HN 0.792 nan 8.190 nan 0.000 0.427 140 N N 4.607 123.092 118.700 -0.358 0.000 2.446 140 N HA 0.503 5.243 4.740 -0.000 0.000 0.265 140 N C -1.114 174.367 175.510 -0.049 0.000 0.975 140 N CA -0.489 52.480 53.050 -0.135 0.000 0.928 140 N CB 0.970 39.393 38.487 -0.107 0.000 1.160 140 N HN 0.475 nan 8.380 nan 0.000 0.495 141 I N 2.319 122.930 120.570 0.067 0.000 2.321 141 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 141 I C -0.100 176.178 176.117 0.267 0.000 0.998 141 I CA -0.452 60.971 61.300 0.205 0.000 1.227 141 I CB 1.197 39.368 38.000 0.286 0.000 1.368 141 I HN 0.593 nan 8.210 nan 0.000 0.466 142 D N 6.940 127.504 120.400 0.273 0.000 2.634 142 D HA 0.066 4.706 4.640 -0.000 0.000 0.318 142 D C -0.915 175.428 176.300 0.072 0.000 1.226 142 D CA -0.340 53.774 54.000 0.190 0.000 0.899 142 D CB 0.283 41.235 40.800 0.253 0.000 1.025 142 D HN 0.338 nan 8.370 nan 0.000 0.501 143 W N 2.468 123.685 121.300 -0.138 0.000 2.335 143 W HA 0.355 5.015 4.660 -0.000 0.000 0.306 143 W C -0.537 175.623 176.519 -0.599 0.000 1.216 143 W CA -0.918 56.196 57.345 -0.385 0.000 1.237 143 W CB 0.467 29.774 29.460 -0.255 0.000 1.243 143 W HN 0.178 nan 8.180 nan 0.000 0.493 144 E N 6.720 126.662 120.200 -0.430 0.000 2.400 144 E HA 0.217 4.567 4.350 -0.000 0.000 0.232 144 E C -1.527 174.621 176.600 -0.754 0.000 0.988 144 E CA -0.288 55.316 56.400 -1.328 0.000 0.823 144 E CB 0.610 29.654 29.700 -1.093 0.000 1.246 144 E HN 0.303 nan 8.360 nan 0.000 0.441 145 Y N 0.299 120.447 120.300 -0.253 0.000 2.552 145 Y HA 0.283 4.833 4.550 -0.000 0.000 0.337 145 Y C -2.406 172.959 175.900 -0.892 0.000 1.094 145 Y CA -2.807 54.981 58.100 -0.521 0.000 1.028 145 Y CB 1.477 39.816 38.460 -0.202 0.000 1.321 145 Y HN 0.230 nan 8.280 nan 0.000 0.456 146 P HA 0.057 nan 4.420 nan 0.000 0.268 146 P C -1.057 175.963 177.300 -0.467 0.000 1.205 146 P CA 0.074 62.297 63.100 -1.462 0.000 0.771 146 P CB 1.005 31.579 31.700 -1.876 0.000 0.858 147 Q N 0.796 120.464 119.800 -0.220 0.000 2.194 147 Q HA 0.500 4.840 4.340 -0.000 0.000 0.245 147 Q C 1.571 177.547 176.000 -0.041 0.000 0.993 147 Q CA -0.799 54.975 55.803 -0.048 0.000 0.930 147 Q CB 0.823 29.580 28.738 0.031 0.000 1.238 147 Q HN 0.419 nan 8.270 nan 0.000 0.486 148 A N 0.644 123.458 122.820 -0.010 0.000 1.978 148 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 148 A C 2.001 179.589 177.584 0.008 0.000 1.170 148 A CA 2.093 54.128 52.037 -0.003 0.000 0.636 148 A CB -1.005 17.991 19.000 -0.008 0.000 0.810 148 A HN 0.796 nan 8.150 nan 0.000 0.448 149 A N -0.137 122.693 122.820 0.016 0.000 1.933 149 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 149 A C 1.836 179.446 177.584 0.042 0.000 1.175 149 A CA 1.661 53.716 52.037 0.031 0.000 0.628 149 A CB -0.402 18.621 19.000 0.039 0.000 0.814 149 A HN 0.643 nan 8.150 nan 0.000 0.444 150 E N -0.571 119.649 120.200 0.034 0.000 2.442 150 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 150 E C 1.664 178.290 176.600 0.043 0.000 1.030 150 E CA 0.427 56.862 56.400 0.058 0.000 0.869 150 E CB 0.052 29.784 29.700 0.053 0.000 0.857 150 E HN 0.370 nan 8.360 nan 0.000 0.505 151 V N 1.832 121.752 119.914 0.011 0.000 2.358 151 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 151 V C 1.577 177.749 176.094 0.130 0.000 1.047 151 V CA 1.902 64.232 62.300 0.050 0.000 1.035 151 V CB -0.301 31.550 31.823 0.046 0.000 0.658 151 V HN 0.226 nan 8.190 nan 0.000 0.452 152 D N 0.595 121.051 120.400 0.093 0.000 2.178 152 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 152 D C 2.171 178.534 176.300 0.105 0.000 0.980 152 D CA 1.557 55.609 54.000 0.087 0.000 0.842 152 D CB -0.438 40.399 40.800 0.062 0.000 0.948 152 D HN 0.482 nan 8.370 nan 0.000 0.472 153 G N -0.152 108.726 108.800 0.130 0.000 2.403 153 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 153 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 153 G C 1.464 176.487 174.900 0.205 0.000 1.154 153 G CA 0.084 45.270 45.100 0.143 0.000 0.784 153 G HN 0.241 nan 8.290 nan 0.000 0.538 154 F N 1.515 121.516 119.950 0.085 0.000 2.134 154 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 154 F C 2.407 178.249 175.800 0.070 0.000 1.097 154 F CA 1.124 59.188 58.000 0.107 0.000 1.264 154 F CB -0.175 38.833 39.000 0.014 0.000 1.001 154 F HN 0.094 nan 8.300 nan 0.000 0.479 155 I N 0.343 120.949 120.570 0.060 0.000 2.163 155 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 155 I C 2.693 178.777 176.117 -0.054 0.000 1.085 155 I CA 1.396 62.667 61.300 -0.048 0.000 1.347 155 I CB -0.940 37.083 38.000 0.038 0.000 1.044 155 I HN 0.255 nan 8.210 nan 0.000 0.408 156 A N 0.519 123.344 122.820 0.008 0.000 1.933 156 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 156 A C 2.526 180.114 177.584 0.007 0.000 1.175 156 A CA 1.727 53.772 52.037 0.013 0.000 0.628 156 A CB -0.775 18.248 19.000 0.038 0.000 0.814 156 A HN 0.440 nan 8.150 nan 0.000 0.444 157 A N -0.096 122.736 122.820 0.019 0.000 1.902 157 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 157 A C 2.149 179.720 177.584 -0.022 0.000 1.181 157 A CA 1.474 53.546 52.037 0.058 0.000 0.623 157 A CB -0.615 18.480 19.000 0.159 0.000 0.818 157 A HN 0.472 nan 8.150 nan 0.000 0.443 158 L N -0.913 120.218 121.223 -0.153 0.000 2.046 158 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 158 L C 2.885 179.696 176.870 -0.099 0.000 1.077 158 L CA 1.669 56.402 54.840 -0.179 0.000 0.747 158 L CB -0.634 41.245 42.059 -0.299 0.000 0.896 158 L HN 0.479 nan 8.230 nan 0.000 0.432 159 Q N -0.465 119.292 119.800 -0.073 0.000 2.084 159 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 159 Q C 2.211 178.193 176.000 -0.031 0.000 0.978 159 Q CA 1.237 57.014 55.803 -0.042 0.000 0.844 159 Q CB -0.008 28.715 28.738 -0.026 0.000 0.898 159 Q HN 0.413 nan 8.270 nan 0.000 0.426 160 E N 0.606 120.792 120.200 -0.024 0.000 2.072 160 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 160 E C 2.027 178.603 176.600 -0.039 0.000 0.985 160 E CA 0.855 57.243 56.400 -0.020 0.000 0.801 160 E CB -0.142 29.557 29.700 -0.002 0.000 0.750 160 E HN 0.436 nan 8.360 nan 0.000 0.452 161 I N 1.012 121.547 120.570 -0.058 0.000 2.226 161 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 161 I C 2.638 178.723 176.117 -0.055 0.000 1.100 161 I CA 1.029 62.280 61.300 -0.082 0.000 1.374 161 I CB -0.241 37.691 38.000 -0.114 0.000 1.057 161 I HN 0.015 nan 8.210 nan 0.000 0.413 162 R N 1.180 121.653 120.500 -0.045 0.000 2.083 162 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 162 R C 2.149 178.442 176.300 -0.013 0.000 1.137 162 R CA 2.372 58.457 56.100 -0.026 0.000 0.951 162 R CB -1.244 29.038 30.300 -0.030 0.000 0.851 162 R HN 0.220 nan 8.270 nan 0.000 0.434 163 T N 1.333 115.877 114.554 -0.016 0.000 2.684 163 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 163 T C 1.749 176.447 174.700 -0.004 0.000 1.036 163 T CA 1.731 63.826 62.100 -0.008 0.000 1.148 163 T CB -0.233 68.629 68.868 -0.009 0.000 0.863 163 T HN 0.163 nan 8.240 nan 0.000 0.436 164 L N 0.265 121.478 121.223 -0.016 0.000 2.046 164 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 164 L C 2.510 179.376 176.870 -0.007 0.000 1.077 164 L CA 1.068 55.896 54.840 -0.019 0.000 0.747 164 L CB -0.569 41.464 42.059 -0.044 0.000 0.896 164 L HN 0.261 nan 8.230 nan 0.000 0.432 165 L N -0.408 120.814 121.223 -0.001 0.000 2.093 165 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 165 L C 2.294 179.232 176.870 0.113 0.000 1.085 165 L CA 0.965 55.831 54.840 0.043 0.000 0.755 165 L CB -0.544 41.546 42.059 0.053 0.000 0.904 165 L HN 0.333 nan 8.230 nan 0.000 0.435 166 N N -0.120 118.620 118.700 0.066 0.000 2.166 166 N HA -0.178 4.561 4.740 -0.000 0.000 0.186 166 N C 1.855 177.404 175.510 0.065 0.000 1.019 166 N CA 1.051 54.139 53.050 0.064 0.000 0.856 166 N CB -0.158 38.348 38.487 0.031 0.000 0.993 166 N HN 0.385 nan 8.380 nan 0.000 0.426 167 Q N 0.017 119.846 119.800 0.048 0.000 2.084 167 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 167 Q C 1.907 177.949 176.000 0.070 0.000 0.978 167 Q CA 1.301 57.130 55.803 0.043 0.000 0.844 167 Q CB -0.121 28.631 28.738 0.023 0.000 0.898 167 Q HN 0.281 nan 8.270 nan 0.000 0.426 168 Q N 0.132 119.988 119.800 0.092 0.000 2.119 168 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 168 Q C 1.890 178.069 176.000 0.299 0.000 0.972 168 Q CA 1.791 57.678 55.803 0.141 0.000 0.847 168 Q CB -0.262 28.490 28.738 0.024 0.000 0.903 168 Q HN 0.275 nan 8.270 nan 0.000 0.433 169 T N 0.767 115.514 114.554 0.321 0.000 2.720 169 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 169 T C 1.453 176.189 174.700 0.061 0.000 1.037 169 T CA 1.366 63.555 62.100 0.148 0.000 1.144 169 T CB -0.131 68.777 68.868 0.067 0.000 0.864 169 T HN 0.204 nan 8.240 nan 0.000 0.444 170 I N 1.325 121.932 120.570 0.063 0.000 2.286 170 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 170 I C 2.630 178.770 176.117 0.039 0.000 1.104 170 I CA 1.311 62.631 61.300 0.033 0.000 1.397 170 I CB -1.864 36.151 38.000 0.025 0.000 1.072 170 I HN 0.223 nan 8.210 nan 0.000 0.417 171 T N 1.015 115.603 114.554 0.057 0.000 2.849 171 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 171 T C 1.084 175.818 174.700 0.057 0.000 1.066 171 T CA 1.411 63.542 62.100 0.051 0.000 1.130 171 T CB -0.170 68.730 68.868 0.054 0.000 0.864 171 T HN 0.259 nan 8.240 nan 0.000 0.481 172 D N -0.210 120.242 120.400 0.087 0.000 2.363 172 D HA 0.284 4.924 4.640 -0.000 0.000 0.214 172 D C 1.386 177.697 176.300 0.018 0.000 1.093 172 D CA 0.298 54.346 54.000 0.080 0.000 0.837 172 D CB -0.055 40.858 40.800 0.188 0.000 0.948 172 D HN 0.387 nan 8.370 nan 0.000 0.507 173 G N 1.791 110.593 108.800 0.003 0.000 2.221 173 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 173 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 173 G C 0.799 175.666 174.900 -0.055 0.000 1.041 173 G CA -0.211 44.877 45.100 -0.021 0.000 0.807 173 G HN 0.204 nan 8.290 nan 0.000 0.502 174 R N -0.607 119.836 120.500 -0.095 0.000 2.702 174 R HA 0.186 4.526 4.340 -0.000 0.000 0.314 174 R C 1.909 178.125 176.300 -0.140 0.000 1.152 174 R CA 0.097 56.093 56.100 -0.174 0.000 1.097 174 R CB 0.181 30.244 30.300 -0.394 0.000 1.343 174 R HN 0.533 nan 8.270 nan 0.000 0.575 175 Q N 0.441 120.193 119.800 -0.080 0.000 2.197 175 Q HA -0.108 4.232 4.340 -0.000 0.000 0.207 175 Q C 1.945 177.910 176.000 -0.059 0.000 0.984 175 Q CA 2.129 57.897 55.803 -0.058 0.000 0.869 175 Q CB -0.178 28.538 28.738 -0.036 0.000 0.906 175 Q HN 0.345 nan 8.270 nan 0.000 0.426 176 A N -0.789 121.994 122.820 -0.061 0.000 2.119 176 A HA 0.090 4.409 4.320 -0.000 0.000 0.217 176 A C 0.737 178.284 177.584 -0.061 0.000 1.153 176 A CA 0.553 52.560 52.037 -0.051 0.000 0.692 176 A CB 0.282 19.256 19.000 -0.044 0.000 0.799 176 A HN 0.277 nan 8.150 nan 0.000 0.458 177 L N -0.072 121.093 121.223 -0.096 0.000 2.420 177 L HA 0.374 4.714 4.340 -0.000 0.000 0.260 177 L C -2.994 173.772 176.870 -0.174 0.000 1.508 177 L CA -1.625 53.152 54.840 -0.106 0.000 0.835 177 L CB 1.516 43.513 42.059 -0.104 0.000 1.018 177 L HN -0.141 nan 8.230 nan 0.000 0.520 178 P HA 0.107 nan 4.420 nan 0.000 0.269 178 P C -0.927 176.297 177.300 -0.127 0.000 1.215 178 P CA 0.213 63.215 63.100 -0.163 0.000 0.780 178 P CB 0.215 31.881 31.700 -0.057 0.000 0.898 179 Y N 0.501 120.819 120.300 0.030 0.000 2.597 179 Y HA 0.103 4.653 4.550 -0.000 0.000 0.336 179 Y C 1.394 177.316 175.900 0.036 0.000 1.216 179 Y CA 0.864 58.991 58.100 0.045 0.000 1.463 179 Y CB 0.004 38.492 38.460 0.047 0.000 1.303 179 Y HN 0.312 nan 8.280 nan 0.000 0.576 180 Q N 1.562 121.496 119.800 0.223 0.000 2.416 180 Q HA 0.671 5.011 4.340 -0.000 0.000 0.279 180 Q C -1.742 174.308 176.000 0.084 0.000 1.101 180 Q CA -1.384 54.498 55.803 0.133 0.000 0.830 180 Q CB 2.838 31.681 28.738 0.174 0.000 1.402 180 Q HN 0.515 nan 8.270 nan 0.000 0.445 181 L N 0.967 122.210 121.223 0.033 0.000 2.406 181 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 181 L C -1.111 175.762 176.870 0.003 0.000 0.980 181 L CA 0.062 54.896 54.840 -0.009 0.000 0.831 181 L CB 2.033 44.073 42.059 -0.032 0.000 1.253 181 L HN 0.806 nan 8.230 nan 0.000 0.406 182 T N 2.868 117.428 114.554 0.010 0.000 2.901 182 T HA 0.815 5.165 4.350 -0.000 0.000 0.293 182 T C -0.284 174.450 174.700 0.058 0.000 1.084 182 T CA -0.700 61.430 62.100 0.049 0.000 1.008 182 T CB 1.651 70.562 68.868 0.072 0.000 1.170 182 T HN 0.777 nan 8.240 nan 0.000 0.509 183 I N -1.307 119.325 120.570 0.105 0.000 2.785 183 I HA 0.876 5.046 4.170 -0.000 0.000 0.302 183 I C -0.398 175.823 176.117 0.174 0.000 1.069 183 I CA -1.815 59.579 61.300 0.156 0.000 1.045 183 I CB 1.896 40.020 38.000 0.206 0.000 1.236 183 I HN 0.895 nan 8.210 nan 0.000 0.429 184 A N 3.515 126.460 122.820 0.209 0.000 2.302 184 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 184 A C 0.292 178.006 177.584 0.215 0.000 1.235 184 A CA -0.026 52.143 52.037 0.220 0.000 0.876 184 A CB -0.195 18.958 19.000 0.256 0.000 1.133 184 A HN 1.062 nan 8.150 nan 0.000 0.533 185 G N 1.028 109.962 108.800 0.225 0.000 2.434 185 G HA2 0.614 4.574 3.960 -0.000 0.000 0.330 185 G HA3 0.614 4.574 3.960 -0.000 0.000 0.330 185 G C 0.291 175.394 174.900 0.339 0.000 1.155 185 G CA -0.047 45.243 45.100 0.318 0.000 0.917 185 G HN 1.380 nan 8.290 nan 0.000 0.493 186 A N -0.287 122.780 122.820 0.413 0.000 2.531 186 A HA 0.489 4.809 4.320 -0.000 0.000 0.236 186 A C 1.361 179.015 177.584 0.117 0.000 1.062 186 A CA 0.656 52.766 52.037 0.121 0.000 0.760 186 A CB 0.374 19.229 19.000 -0.242 0.000 0.995 186 A HN 1.490 nan 8.150 nan 0.000 0.501 187 G N 1.078 109.901 108.800 0.039 0.000 3.453 187 G HA2 0.486 4.446 3.960 -0.000 0.000 0.263 187 G HA3 0.486 4.446 3.960 -0.000 0.000 0.263 187 G C 0.377 175.283 174.900 0.010 0.000 1.060 187 G CA 0.598 45.700 45.100 0.002 0.000 0.793 187 G HN 1.300 nan 8.290 nan 0.000 0.532 188 G N -1.540 107.267 108.800 0.013 0.000 2.667 188 G HA2 0.543 4.503 3.960 -0.000 0.000 0.298 188 G HA3 0.543 4.503 3.960 -0.000 0.000 0.298 188 G C 0.660 175.498 174.900 -0.103 0.000 1.377 188 G CA 0.314 45.412 45.100 -0.003 0.000 0.964 188 G HN 0.320 nan 8.290 nan 0.000 0.493 189 A N 0.745 123.442 122.820 -0.205 0.000 1.972 189 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 189 A C 1.892 179.193 177.584 -0.472 0.000 1.169 189 A CA 1.530 53.307 52.037 -0.433 0.000 0.635 189 A CB -0.524 18.156 19.000 -0.532 0.000 0.810 189 A HN 0.585 nan 8.150 nan 0.000 0.446 190 F N -1.216 118.601 119.950 -0.221 0.000 2.075 190 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 190 F C 2.055 177.613 175.800 -0.403 0.000 1.113 190 F CA 1.499 59.302 58.000 -0.327 0.000 1.218 190 F CB -0.919 37.830 39.000 -0.417 0.000 0.984 190 F HN 0.212 nan 8.300 nan 0.000 0.472 191 F N -0.579 119.294 119.950 -0.129 0.000 2.259 191 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 191 F C 2.201 177.673 175.800 -0.547 0.000 1.088 191 F CA 0.538 58.308 58.000 -0.384 0.000 1.358 191 F CB -1.083 37.475 39.000 -0.737 0.000 1.040 191 F HN -0.094 nan 8.300 nan 0.000 0.505 192 L N 0.383 121.376 121.223 -0.383 0.000 2.131 192 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 192 L C 2.530 178.989 176.870 -0.685 0.000 1.092 192 L CA 2.002 56.455 54.840 -0.645 0.000 0.759 192 L CB -1.158 40.630 42.059 -0.451 0.000 0.903 192 L HN 0.187 nan 8.230 nan 0.000 0.435 193 S N -1.130 114.276 115.700 -0.490 0.000 2.500 193 S HA -0.205 4.265 4.470 -0.000 0.000 0.239 193 S C 2.021 176.447 174.600 -0.289 0.000 0.989 193 S CA 0.863 58.817 58.200 -0.411 0.000 0.951 193 S CB -0.649 62.333 63.200 -0.363 0.000 0.759 193 S HN 0.566 nan 8.310 nan 0.000 0.523 194 R N 0.127 120.465 120.500 -0.270 0.000 2.115 194 R HA -0.021 4.319 4.340 -0.000 0.000 0.230 194 R C 1.479 177.752 176.300 -0.045 0.000 1.111 194 R CA 1.704 57.738 56.100 -0.110 0.000 0.976 194 R CB -0.279 30.026 30.300 0.009 0.000 0.870 194 R HN 0.909 nan 8.270 nan 0.000 0.445 195 Y N -5.436 114.817 120.300 -0.079 0.000 2.610 195 Y HA 0.242 4.792 4.550 -0.000 0.000 0.254 195 Y C 1.287 177.168 175.900 -0.031 0.000 1.110 195 Y CA -1.258 56.803 58.100 -0.065 0.000 1.238 195 Y CB -0.651 37.757 38.460 -0.087 0.000 1.322 195 Y HN -0.139 nan 8.280 nan 0.000 0.547 196 Y N 2.800 122.861 120.300 -0.398 0.000 2.151 196 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 196 Y C 2.649 178.440 175.900 -0.180 0.000 1.166 196 Y CA 2.349 60.240 58.100 -0.347 0.000 1.163 196 Y CB -0.436 37.754 38.460 -0.451 0.000 0.974 196 Y HN 0.345 nan 8.280 nan 0.000 0.511 197 S N -0.721 114.899 115.700 -0.133 0.000 2.440 197 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 197 S C 1.371 175.889 174.600 -0.137 0.000 1.010 197 S CA 1.463 59.548 58.200 -0.191 0.000 0.972 197 S CB -0.375 62.749 63.200 -0.126 0.000 0.774 197 S HN 0.536 nan 8.310 nan 0.000 0.501 198 K N 0.291 120.655 120.400 -0.059 0.000 2.618 198 K HA 0.431 4.751 4.320 -0.000 0.000 0.207 198 K C 0.960 177.576 176.600 0.027 0.000 1.058 198 K CA -0.208 56.080 56.287 0.001 0.000 1.086 198 K CB 0.157 32.686 32.500 0.049 0.000 0.827 198 K HN 0.240 nan 8.250 nan 0.000 0.481 199 L N 0.710 121.910 121.223 -0.038 0.000 2.042 199 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 199 L C 2.314 179.202 176.870 0.030 0.000 1.076 199 L CA 1.557 56.404 54.840 0.012 0.000 0.749 199 L CB -0.301 41.665 42.059 -0.155 0.000 0.893 199 L HN 0.354 nan 8.230 nan 0.000 0.432 200 A N -0.777 122.041 122.820 -0.005 0.000 1.902 200 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 200 A C 2.091 179.691 177.584 0.027 0.000 1.181 200 A CA 1.642 53.690 52.037 0.018 0.000 0.623 200 A CB -0.434 18.573 19.000 0.013 0.000 0.818 200 A HN 0.538 nan 8.150 nan 0.000 0.443 201 Q N -0.796 119.021 119.800 0.027 0.000 2.167 201 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 201 Q C 1.961 177.977 176.000 0.026 0.000 0.970 201 Q CA 1.269 57.088 55.803 0.026 0.000 0.855 201 Q CB -0.240 28.517 28.738 0.031 0.000 0.911 201 Q HN 0.746 nan 8.270 nan 0.000 0.438 202 I N -0.297 120.305 120.570 0.053 0.000 2.315 202 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 202 I C 1.936 178.072 176.117 0.032 0.000 1.117 202 I CA 0.784 62.116 61.300 0.053 0.000 1.404 202 I CB 0.059 38.132 38.000 0.121 0.000 1.071 202 I HN 0.019 nan 8.210 nan 0.000 0.419 203 V N 0.568 120.515 119.914 0.055 0.000 2.951 203 V HA -0.066 4.054 4.120 -0.000 0.000 0.255 203 V C 2.576 178.681 176.094 0.017 0.000 1.088 203 V CA 1.264 63.596 62.300 0.054 0.000 1.109 203 V CB -0.510 31.366 31.823 0.088 0.000 0.724 203 V HN 0.421 nan 8.190 nan 0.000 0.471 204 A N 1.244 124.069 122.820 0.010 0.000 1.917 204 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 204 A C 0.427 177.999 177.584 -0.020 0.000 1.182 204 A CA 2.115 54.150 52.037 -0.004 0.000 0.633 204 A CB -1.809 17.190 19.000 -0.002 0.000 0.819 204 A HN 0.573 nan 8.150 nan 0.000 0.448 205 P HA 0.134 nan 4.420 nan 0.000 0.245 205 P C -0.110 177.163 177.300 -0.046 0.000 1.212 205 P CA 0.494 63.569 63.100 -0.041 0.000 0.774 205 P CB -0.047 31.617 31.700 -0.059 0.000 0.999 206 L N -0.273 120.925 121.223 -0.042 0.000 2.343 206 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 206 L C 1.303 178.113 176.870 -0.101 0.000 1.056 206 L CA -0.598 54.214 54.840 -0.048 0.000 0.804 206 L CB 1.001 43.054 42.059 -0.009 0.000 1.203 206 L HN -0.216 nan 8.230 nan 0.000 0.440 207 D N 0.738 121.049 120.400 -0.148 0.000 2.123 207 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 207 D C -0.513 175.415 176.300 -0.619 0.000 0.976 207 D CA 1.887 55.658 54.000 -0.381 0.000 0.831 207 D CB 0.278 40.853 40.800 -0.374 0.000 0.974 207 D HN 0.301 nan 8.370 nan 0.000 0.469 208 Y N -0.804 119.490 120.300 -0.010 0.000 2.544 208 Y HA 0.415 4.965 4.550 -0.000 0.000 0.342 208 Y C -0.563 175.340 175.900 0.005 0.000 1.062 208 Y CA -0.909 57.181 58.100 -0.017 0.000 1.023 208 Y CB 1.974 40.395 38.460 -0.064 0.000 1.308 208 Y HN -0.272 nan 8.280 nan 0.000 0.457 209 I N 3.083 123.768 120.570 0.193 0.000 2.330 209 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 209 I C -1.115 175.068 176.117 0.110 0.000 1.001 209 I CA -0.383 61.005 61.300 0.146 0.000 1.193 209 I CB 0.474 38.565 38.000 0.151 0.000 1.345 209 I HN 0.702 nan 8.210 nan 0.000 0.461 210 N N 8.297 127.063 118.700 0.110 0.000 2.500 210 N HA 0.342 5.082 4.740 -0.000 0.000 0.236 210 N C -1.005 174.556 175.510 0.084 0.000 1.022 210 N CA -0.617 52.484 53.050 0.085 0.000 0.935 210 N CB 1.024 39.574 38.487 0.105 0.000 1.147 210 N HN 0.466 nan 8.380 nan 0.000 0.512 211 L N 2.565 123.801 121.223 0.021 0.000 2.367 211 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 211 L C 0.753 177.578 176.870 -0.076 0.000 1.129 211 L CA -0.025 54.801 54.840 -0.024 0.000 0.839 211 L CB 0.589 42.587 42.059 -0.103 0.000 1.133 211 L HN 0.522 nan 8.230 nan 0.000 0.453 212 M N 3.274 122.785 119.600 -0.149 0.000 3.586 212 M HA 0.055 4.535 4.480 -0.000 0.000 0.225 212 M C 0.341 176.239 176.300 -0.670 0.000 1.428 212 M CA -0.150 54.806 55.300 -0.574 0.000 1.613 212 M CB -0.470 31.902 32.600 -0.381 0.000 1.063 212 M HN 0.546 nan 8.290 nan 0.000 0.593 213 T N -0.122 114.167 114.554 -0.443 0.000 4.309 213 T HA 0.281 4.631 4.350 -0.000 0.000 0.242 213 T C -0.534 174.144 174.700 -0.035 0.000 1.142 213 T CA -0.266 61.729 62.100 -0.175 0.000 1.042 213 T CB -1.094 67.746 68.868 -0.046 0.000 1.366 213 T HN 0.516 nan 8.240 nan 0.000 0.942 214 Y N -2.954 117.414 120.300 0.113 0.000 2.788 214 Y HA 0.523 5.073 4.550 -0.000 0.000 0.335 214 Y C -0.421 175.579 175.900 0.168 0.000 1.287 214 Y CA -1.958 56.217 58.100 0.125 0.000 1.068 214 Y CB -0.084 38.450 38.460 0.124 0.000 1.340 214 Y HN 0.110 nan 8.280 nan 0.000 0.449 215 D N 0.187 120.885 120.400 0.496 0.000 2.882 215 D HA -0.172 4.468 4.640 -0.000 0.000 0.229 215 D C 0.513 177.056 176.300 0.406 0.000 1.167 215 D CA 1.265 55.550 54.000 0.475 0.000 0.759 215 D CB -1.048 40.014 40.800 0.437 0.000 1.088 215 D HN 0.726 nan 8.370 nan 0.000 0.425 216 L N -1.528 119.856 121.223 0.267 0.000 2.599 216 L HA 0.284 4.624 4.340 -0.000 0.000 0.230 216 L C 1.192 178.151 176.870 0.150 0.000 1.141 216 L CA 0.684 55.624 54.840 0.166 0.000 0.877 216 L CB -0.015 42.091 42.059 0.078 0.000 1.009 216 L HN 0.205 nan 8.230 nan 0.000 0.447 217 A N -0.670 122.260 122.820 0.183 0.000 2.556 217 A HA 0.864 5.184 4.320 -0.000 0.000 0.294 217 A C -0.376 177.095 177.584 -0.187 0.000 1.091 217 A CA 0.036 52.112 52.037 0.064 0.000 0.704 217 A CB 1.774 20.857 19.000 0.139 0.000 1.300 217 A HN 0.086 nan 8.150 nan 0.000 0.406 218 G N -0.774 107.669 108.800 -0.596 0.000 2.328 218 G HA2 0.504 4.464 3.960 -0.000 0.000 0.295 218 G HA3 0.504 4.464 3.960 -0.000 0.000 0.295 218 G C -3.050 171.243 174.900 -1.012 0.000 1.413 218 G CA -0.249 44.061 45.100 -1.316 0.000 0.817 218 G HN 0.316 nan 8.290 nan 0.000 0.546 219 P HA 0.031 nan 4.420 nan 0.000 0.230 219 P C 1.315 178.688 177.300 0.122 0.000 1.158 219 P CA 1.160 64.163 63.100 -0.163 0.000 0.769 219 P CB -0.054 31.593 31.700 -0.090 0.000 0.807 220 W N -0.726 120.678 121.300 0.173 0.000 2.825 220 W HA 0.148 4.808 4.660 -0.000 0.000 0.243 220 W C 0.096 176.710 176.519 0.159 0.000 1.293 220 W CA 0.071 57.498 57.345 0.138 0.000 1.403 220 W CB -0.858 28.641 29.460 0.064 0.000 1.134 220 W HN -0.193 nan 8.180 nan 0.000 0.666 221 E N 1.301 121.469 120.200 -0.053 0.000 2.204 221 E HA 0.143 4.493 4.350 -0.000 0.000 0.276 221 E C 0.585 177.316 176.600 0.218 0.000 0.974 221 E CA -0.500 55.962 56.400 0.103 0.000 0.815 221 E CB 1.745 31.481 29.700 0.060 0.000 1.119 221 E HN 0.119 nan 8.360 nan 0.000 0.393 222 K N 0.210 120.697 120.400 0.145 0.000 2.288 222 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 222 K C 0.401 177.074 176.600 0.121 0.000 1.048 222 K CA 0.541 56.883 56.287 0.092 0.000 0.956 222 K CB 0.414 32.914 32.500 -0.001 0.000 0.746 222 K HN 0.132 nan 8.250 nan 0.000 0.461 223 V N 2.279 122.235 119.914 0.070 0.000 2.417 223 V HA 0.065 4.185 4.120 -0.000 0.000 0.291 223 V C 0.145 176.137 176.094 -0.169 0.000 1.024 223 V CA -0.979 61.303 62.300 -0.030 0.000 0.861 223 V CB 1.492 33.270 31.823 -0.075 0.000 0.985 223 V HN 0.288 nan 8.190 nan 0.000 0.436 224 T N 2.263 116.558 114.554 -0.431 0.000 2.932 224 T HA 0.372 4.722 4.350 -0.000 0.000 0.312 224 T C -0.191 174.137 174.700 -0.621 0.000 1.071 224 T CA -0.154 61.354 62.100 -0.986 0.000 1.128 224 T CB 0.828 68.816 68.868 -1.468 0.000 0.984 224 T HN 0.710 nan 8.240 nan 0.000 0.549 225 N N -0.642 117.778 118.700 -0.466 0.000 3.046 225 N HA 0.176 4.916 4.740 -0.000 0.000 0.243 225 N C -1.629 173.864 175.510 -0.030 0.000 1.452 225 N CA -0.741 52.226 53.050 -0.139 0.000 0.882 225 N CB 1.074 39.617 38.487 0.093 0.000 1.425 225 N HN 0.712 nan 8.380 nan 0.000 0.517 226 H N 1.266 120.428 119.070 0.154 0.000 2.886 226 H HA 0.050 4.606 4.556 -0.000 0.000 0.329 226 H C 0.411 175.812 175.328 0.122 0.000 1.044 226 H CA 0.457 56.581 56.048 0.126 0.000 1.456 226 H CB 1.069 30.852 29.762 0.034 0.000 1.464 226 H HN 0.568 nan 8.280 nan 0.000 0.573 227 Q N 2.074 122.007 119.800 0.221 0.000 2.432 227 Q HA 0.216 4.556 4.340 -0.000 0.000 0.205 227 Q C 0.365 176.472 176.000 0.179 0.000 0.945 227 Q CA 0.732 56.654 55.803 0.198 0.000 0.924 227 Q CB 0.784 29.643 28.738 0.202 0.000 1.016 227 Q HN 0.517 nan 8.270 nan 0.000 0.503 228 A N 0.475 123.383 122.820 0.147 0.000 3.339 228 A HA 0.668 4.988 4.320 -0.000 0.000 0.219 228 A C -0.149 177.449 177.584 0.024 0.000 0.974 228 A CA -0.259 51.842 52.037 0.106 0.000 1.050 228 A CB 0.111 19.204 19.000 0.154 0.000 1.271 228 A HN 0.365 nan 8.150 nan 0.000 0.565 229 A N 0.174 123.002 122.820 0.014 0.000 2.546 229 A HA 0.378 4.698 4.320 -0.000 0.000 0.243 229 A C 1.204 178.688 177.584 -0.168 0.000 1.063 229 A CA 0.277 52.256 52.037 -0.096 0.000 0.757 229 A CB 0.037 19.007 19.000 -0.050 0.000 0.991 229 A HN 1.389 nan 8.150 nan 0.000 0.503 230 L N 3.259 124.309 121.223 -0.288 0.000 2.023 230 L HA 0.209 4.549 4.340 -0.000 0.000 0.205 230 L C 0.190 176.655 176.870 -0.676 0.000 1.073 230 L CA 1.812 56.320 54.840 -0.553 0.000 0.745 230 L CB -0.486 41.149 42.059 -0.707 0.000 0.900 230 L HN 0.615 nan 8.230 nan 0.000 0.435 231 F N -1.357 118.532 119.950 -0.102 0.000 2.618 231 F HA 0.657 5.184 4.527 -0.000 0.000 0.332 231 F C 0.910 176.682 175.800 -0.046 0.000 1.061 231 F CA -0.845 57.129 58.000 -0.045 0.000 0.974 231 F CB 0.446 39.429 39.000 -0.029 0.000 1.310 231 F HN -0.116 nan 8.300 nan 0.000 0.491 232 G N -0.473 108.456 108.800 0.214 0.000 2.477 232 G HA2 0.435 4.394 3.960 -0.000 0.000 0.304 232 G HA3 0.435 4.394 3.960 -0.000 0.000 0.304 232 G C -1.812 173.117 174.900 0.047 0.000 1.175 232 G CA -0.264 44.894 45.100 0.097 0.000 0.907 232 G HN 0.494 nan 8.290 nan 0.000 0.509 233 D N 0.183 120.587 120.400 0.007 0.000 2.425 233 D HA 0.462 5.102 4.640 -0.000 0.000 0.240 233 D C 1.047 177.297 176.300 -0.083 0.000 1.080 233 D CA -0.261 53.729 54.000 -0.016 0.000 0.836 233 D CB 1.654 42.479 40.800 0.042 0.000 1.125 233 D HN 0.309 nan 8.370 nan 0.000 0.525 234 A N 3.367 126.147 122.820 -0.067 0.000 2.125 234 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 234 A C 1.858 179.348 177.584 -0.158 0.000 1.156 234 A CA 1.558 53.538 52.037 -0.095 0.000 0.671 234 A CB -0.280 18.685 19.000 -0.059 0.000 0.794 234 A HN 0.598 nan 8.150 nan 0.000 0.459 235 A N -0.411 122.304 122.820 -0.176 0.000 2.119 235 A HA 0.424 4.744 4.320 -0.000 0.000 0.216 235 A C 1.471 178.643 177.584 -0.688 0.000 1.152 235 A CA 0.845 52.736 52.037 -0.242 0.000 0.708 235 A CB -0.695 18.284 19.000 -0.035 0.000 0.805 235 A HN 0.650 nan 8.150 nan 0.000 0.460 236 G N 0.125 108.354 108.800 -0.952 0.000 2.580 236 G HA2 0.478 4.438 3.960 -0.000 0.000 0.278 236 G HA3 0.478 4.438 3.960 -0.000 0.000 0.278 236 G C -2.423 172.102 174.900 -0.624 0.000 1.212 236 G CA -1.228 43.054 45.100 -1.363 0.000 0.939 236 G HN 0.188 nan 8.290 nan 0.000 0.513 237 P HA 0.236 nan 4.420 nan 0.000 0.272 237 P C -0.040 177.060 177.300 -0.334 0.000 1.230 237 P CA -0.014 62.860 63.100 -0.377 0.000 0.788 237 P CB 1.058 32.540 31.700 -0.363 0.000 0.949 238 T N -1.907 112.392 114.554 -0.425 0.000 2.907 238 T HA 0.764 5.114 4.350 -0.000 0.000 0.290 238 T C -0.833 173.531 174.700 -0.560 0.000 1.066 238 T CA -0.582 61.324 62.100 -0.325 0.000 1.012 238 T CB 1.005 69.778 68.868 -0.159 0.000 1.184 238 T HN 0.190 nan 8.240 nan 0.000 0.522 239 F N -0.377 119.504 119.950 -0.115 0.000 2.599 239 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 239 F C -0.493 175.427 175.800 0.201 0.000 1.076 239 F CA -1.421 56.612 58.000 0.056 0.000 0.937 239 F CB 1.598 40.595 39.000 -0.005 0.000 1.282 239 F HN 0.746 nan 8.300 nan 0.000 0.460 240 Y N 2.193 122.747 120.300 0.423 0.000 2.717 240 Y HA -0.019 4.531 4.550 -0.000 0.000 0.330 240 Y C 0.396 176.437 175.900 0.235 0.000 1.217 240 Y CA 0.126 58.411 58.100 0.307 0.000 1.506 240 Y CB 0.244 38.893 38.460 0.315 0.000 1.268 240 Y HN 0.586 nan 8.280 nan 0.000 0.561 241 N N 4.866 123.493 118.700 -0.121 0.000 2.482 241 N HA 0.298 5.038 4.740 -0.000 0.000 0.242 241 N C 0.596 175.911 175.510 -0.324 0.000 1.100 241 N CA 0.270 53.182 53.050 -0.230 0.000 0.946 241 N CB 0.475 38.759 38.487 -0.339 0.000 1.227 241 N HN 0.862 nan 8.380 nan 0.000 0.508 242 A N 3.925 126.582 122.820 -0.271 0.000 2.070 242 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 242 A C 1.872 179.203 177.584 -0.422 0.000 1.159 242 A CA 0.854 52.793 52.037 -0.164 0.000 0.656 242 A CB -0.359 18.477 19.000 -0.274 0.000 0.800 242 A HN 0.742 nan 8.150 nan 0.000 0.453 243 L N -0.211 120.549 121.223 -0.771 0.000 2.191 243 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 243 L C 2.663 178.763 176.870 -1.283 0.000 1.103 243 L CA 1.582 55.680 54.840 -1.236 0.000 0.769 243 L CB -0.591 40.323 42.059 -1.907 0.000 0.908 243 L HN 0.611 nan 8.230 nan 0.000 0.438 244 R N -0.117 119.869 120.500 -0.857 0.000 2.285 244 R HA -0.095 4.245 4.340 -0.000 0.000 0.213 244 R C 1.011 177.179 176.300 -0.219 0.000 1.068 244 R CA 0.889 56.753 56.100 -0.393 0.000 1.004 244 R CB -0.154 30.044 30.300 -0.170 0.000 0.873 244 R HN 0.308 nan 8.270 nan 0.000 0.467 245 E N 0.751 120.820 120.200 -0.219 0.000 2.481 245 E HA 0.231 4.581 4.350 -0.000 0.000 0.198 245 E C 0.144 176.648 176.600 -0.161 0.000 1.027 245 E CA 0.191 56.524 56.400 -0.111 0.000 0.900 245 E CB 1.087 30.777 29.700 -0.017 0.000 0.993 245 E HN 0.424 nan 8.360 nan 0.000 0.482 246 A N 1.691 124.347 122.820 -0.273 0.000 2.346 246 A HA 0.161 4.481 4.320 -0.000 0.000 0.252 246 A C 0.535 178.007 177.584 -0.186 0.000 1.089 246 A CA -0.373 51.521 52.037 -0.238 0.000 0.797 246 A CB 0.163 18.978 19.000 -0.308 0.000 1.047 246 A HN -0.004 nan 8.150 nan 0.000 0.494 247 N N 1.052 119.670 118.700 -0.137 0.000 3.124 247 N HA 0.219 4.959 4.740 -0.000 0.000 0.284 247 N C 0.292 175.719 175.510 -0.139 0.000 1.209 247 N CA 0.109 53.097 53.050 -0.102 0.000 1.149 247 N CB -0.501 37.954 38.487 -0.053 0.000 1.434 247 N HN 0.581 nan 8.380 nan 0.000 0.529 248 L N 0.495 121.574 121.223 -0.241 0.000 2.354 248 L HA 0.248 4.588 4.340 -0.000 0.000 0.212 248 L C 1.547 178.325 176.870 -0.153 0.000 1.091 248 L CA 0.515 55.096 54.840 -0.432 0.000 0.828 248 L CB -0.115 41.264 42.059 -1.133 0.000 0.973 248 L HN 0.587 nan 8.230 nan 0.000 0.461 249 G N -1.125 107.673 108.800 -0.004 0.000 2.153 249 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 249 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 249 G C -0.214 174.891 174.900 0.342 0.000 0.994 249 G CA -0.242 44.951 45.100 0.155 0.000 0.698 249 G HN 0.107 nan 8.290 nan 0.000 0.521 250 W N 1.258 122.605 121.300 0.079 0.000 2.215 250 W HA 0.682 5.342 4.660 -0.000 0.000 0.342 250 W C 1.193 177.768 176.519 0.094 0.000 1.237 250 W CA -0.834 56.558 57.345 0.078 0.000 1.283 250 W CB 0.528 30.035 29.460 0.079 0.000 1.131 250 W HN 0.533 nan 8.180 nan 0.000 0.606 251 S N 0.442 116.331 115.700 0.315 0.000 2.624 251 S HA 0.038 4.508 4.470 -0.000 0.000 0.263 251 S C 0.635 175.414 174.600 0.297 0.000 1.287 251 S CA -0.436 57.926 58.200 0.270 0.000 0.990 251 S CB 0.736 64.067 63.200 0.219 0.000 0.950 251 S HN 0.604 nan 8.310 nan 0.000 0.561 252 W N 1.290 122.673 121.300 0.139 0.000 2.335 252 W HA -0.086 4.574 4.660 -0.000 0.000 0.311 252 W C 2.157 178.738 176.519 0.103 0.000 1.213 252 W CA 1.767 59.185 57.345 0.121 0.000 1.274 252 W CB -0.163 29.354 29.460 0.095 0.000 1.148 252 W HN 0.806 nan 8.180 nan 0.000 0.498 253 E N 0.428 120.899 120.200 0.453 0.000 2.085 253 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 253 E C 1.793 178.401 176.600 0.015 0.000 0.994 253 E CA 2.014 58.563 56.400 0.249 0.000 0.801 253 E CB -0.628 29.212 29.700 0.233 0.000 0.743 253 E HN 0.566 nan 8.360 nan 0.000 0.453 254 E N 0.657 120.873 120.200 0.027 0.000 2.077 254 E HA -0.111 4.238 4.350 -0.000 0.000 0.193 254 E C 2.344 178.950 176.600 0.010 0.000 0.989 254 E CA 0.627 56.982 56.400 -0.075 0.000 0.800 254 E CB -0.107 29.494 29.700 -0.164 0.000 0.746 254 E HN 0.165 nan 8.360 nan 0.000 0.452 255 L N 0.509 121.805 121.223 0.121 0.000 2.046 255 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 255 L C 2.510 179.306 176.870 -0.123 0.000 1.077 255 L CA 1.240 56.171 54.840 0.152 0.000 0.747 255 L CB -0.520 41.606 42.059 0.111 0.000 0.896 255 L HN 0.175 nan 8.230 nan 0.000 0.432 256 T N -0.395 113.939 114.554 -0.367 0.000 2.777 256 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 256 T C 1.874 176.397 174.700 -0.296 0.000 1.040 256 T CA 1.560 63.379 62.100 -0.469 0.000 1.141 256 T CB -0.199 68.141 68.868 -0.879 0.000 0.868 256 T HN 0.428 nan 8.240 nan 0.000 0.444 257 R N 1.373 121.724 120.500 -0.249 0.000 2.148 257 R HA 0.235 4.575 4.340 -0.000 0.000 0.223 257 R C 2.367 178.493 176.300 -0.291 0.000 1.088 257 R CA 1.245 57.213 56.100 -0.219 0.000 0.985 257 R CB -0.369 29.828 30.300 -0.173 0.000 0.880 257 R HN 0.301 nan 8.270 nan 0.000 0.451 258 A N 0.563 123.124 122.820 -0.432 0.000 1.975 258 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 258 A C 0.134 177.293 177.584 -0.708 0.000 1.170 258 A CA 0.282 51.898 52.037 -0.700 0.000 0.656 258 A CB 0.141 18.420 19.000 -1.202 0.000 0.821 258 A HN 0.328 nan 8.150 nan 0.000 0.449 259 F N 0.704 120.594 119.950 -0.100 0.000 2.622 259 F HA 0.328 4.855 4.527 -0.000 0.000 0.338 259 F C -2.645 173.009 175.800 -0.244 0.000 1.334 259 F CA -3.664 54.229 58.000 -0.178 0.000 1.179 259 F CB 0.522 39.384 39.000 -0.229 0.000 1.471 259 F HN -0.041 nan 8.300 nan 0.000 0.576 260 P HA 0.112 nan 4.420 nan 0.000 0.266 260 P C -0.144 177.123 177.300 -0.055 0.000 1.195 260 P CA 0.283 63.303 63.100 -0.133 0.000 0.768 260 P CB 1.750 33.337 31.700 -0.188 0.000 0.838 261 S N 2.048 117.719 115.700 -0.049 0.000 2.566 261 S HA 0.536 5.006 4.470 -0.000 0.000 0.273 261 S C -2.674 171.916 174.600 -0.017 0.000 1.157 261 S CA -1.068 57.114 58.200 -0.030 0.000 0.938 261 S CB 0.602 63.672 63.200 -0.217 0.000 1.087 261 S HN 0.307 nan 8.310 nan 0.000 0.474 262 P HA 0.568 nan 4.420 nan 0.000 0.274 262 P C -0.934 176.495 177.300 0.214 0.000 1.256 262 P CA -0.336 62.835 63.100 0.119 0.000 0.795 262 P CB 0.244 31.974 31.700 0.050 0.000 1.038 263 F N -2.410 117.578 119.950 0.063 0.000 2.650 263 F HA 0.636 5.163 4.527 -0.000 0.000 0.320 263 F C -0.866 175.037 175.800 0.170 0.000 1.091 263 F CA -1.284 56.777 58.000 0.102 0.000 0.962 263 F CB 0.683 39.778 39.000 0.158 0.000 1.363 263 F HN 0.107 nan 8.300 nan 0.000 0.482 264 S N 2.085 117.785 115.700 -0.001 0.000 2.452 264 S HA 0.414 4.884 4.470 -0.000 0.000 0.284 264 S C -0.590 173.880 174.600 -0.217 0.000 1.171 264 S CA -0.439 57.709 58.200 -0.088 0.000 1.064 264 S CB 0.873 64.109 63.200 0.059 0.000 0.967 264 S HN 0.658 nan 8.310 nan 0.000 0.484 265 L N 5.895 126.936 121.223 -0.304 0.000 2.462 265 L HA 0.297 4.637 4.340 -0.000 0.000 0.283 265 L C 0.511 177.358 176.870 -0.039 0.000 1.166 265 L CA 0.565 55.245 54.840 -0.266 0.000 0.964 265 L CB -0.847 40.944 42.059 -0.446 0.000 1.294 265 L HN 0.809 nan 8.230 nan 0.000 0.449 266 T N -0.192 114.385 114.554 0.039 0.000 2.887 266 T HA 0.430 4.779 4.350 -0.000 0.000 0.292 266 T C 1.112 175.805 174.700 -0.012 0.000 1.087 266 T CA -0.508 61.602 62.100 0.017 0.000 1.009 266 T CB 1.100 69.991 68.868 0.038 0.000 1.203 266 T HN -0.034 nan 8.240 nan 0.000 0.518 267 V N 0.859 120.719 119.914 -0.090 0.000 2.295 267 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 267 V C 2.548 178.555 176.094 -0.145 0.000 1.049 267 V CA 2.535 64.759 62.300 -0.127 0.000 1.024 267 V CB -1.057 30.648 31.823 -0.197 0.000 0.648 267 V HN 1.111 nan 8.190 nan 0.000 0.447 268 D N 0.404 120.659 120.400 -0.242 0.000 2.149 268 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 268 D C 2.065 178.432 176.300 0.113 0.000 0.990 268 D CA 1.553 55.508 54.000 -0.074 0.000 0.839 268 D CB -0.152 40.669 40.800 0.035 0.000 0.948 268 D HN 0.381 nan 8.370 nan 0.000 0.460 269 A N 0.494 123.366 122.820 0.088 0.000 1.883 269 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 269 A C 2.430 179.900 177.584 -0.190 0.000 1.186 269 A CA 2.357 54.355 52.037 -0.065 0.000 0.624 269 A CB -1.216 17.892 19.000 0.179 0.000 0.822 269 A HN 0.365 nan 8.150 nan 0.000 0.444 270 A N -0.729 122.070 122.820 -0.034 0.000 1.898 270 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 270 A C 2.245 179.911 177.584 0.136 0.000 1.181 270 A CA 1.733 53.791 52.037 0.034 0.000 0.620 270 A CB -0.920 18.103 19.000 0.039 0.000 0.819 270 A HN 0.385 nan 8.150 nan 0.000 0.442 271 V N 0.075 120.053 119.914 0.108 0.000 2.295 271 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 271 V C 2.731 178.949 176.094 0.207 0.000 1.049 271 V CA 2.024 64.427 62.300 0.171 0.000 1.024 271 V CB -0.758 31.236 31.823 0.285 0.000 0.648 271 V HN 0.528 nan 8.190 nan 0.000 0.447 272 Q N -0.217 119.689 119.800 0.177 0.000 2.124 272 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 272 Q C 2.252 178.329 176.000 0.128 0.000 0.977 272 Q CA 1.590 57.500 55.803 0.179 0.000 0.850 272 Q CB -0.420 28.476 28.738 0.263 0.000 0.901 272 Q HN 0.713 nan 8.270 nan 0.000 0.429 273 Q N -0.641 119.145 119.800 -0.023 0.000 2.124 273 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 273 Q C 1.851 178.000 176.000 0.248 0.000 0.977 273 Q CA 1.356 57.169 55.803 0.018 0.000 0.850 273 Q CB -0.169 28.429 28.738 -0.233 0.000 0.901 273 Q HN 0.548 nan 8.270 nan 0.000 0.429 274 H N -0.071 119.098 119.070 0.165 0.000 2.357 274 H HA -0.043 4.513 4.556 -0.000 0.000 0.301 274 H C 1.753 177.164 175.328 0.137 0.000 1.082 274 H CA 1.142 57.294 56.048 0.173 0.000 1.342 274 H CB 0.008 29.852 29.762 0.136 0.000 1.389 274 H HN 0.121 nan 8.280 nan 0.000 0.511 275 L N -0.317 121.054 121.223 0.247 0.000 2.376 275 L HA -0.097 4.243 4.340 -0.000 0.000 0.219 275 L C 1.910 178.867 176.870 0.145 0.000 1.133 275 L CA 0.596 55.538 54.840 0.169 0.000 0.816 275 L CB -0.253 41.894 42.059 0.146 0.000 0.933 275 L HN 0.357 nan 8.230 nan 0.000 0.449 276 M N -1.107 118.601 119.600 0.180 0.000 2.460 276 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 276 M C 0.400 176.796 176.300 0.161 0.000 1.071 276 M CA 0.936 56.341 55.300 0.174 0.000 1.096 276 M CB 0.024 32.774 32.600 0.250 0.000 1.408 276 M HN 0.155 nan 8.290 nan 0.000 0.463 277 M N 0.709 120.381 119.600 0.119 0.000 2.233 277 M HA 0.221 4.701 4.480 -0.000 0.000 0.355 277 M C -0.033 176.298 176.300 0.052 0.000 1.191 277 M CA -0.083 55.252 55.300 0.059 0.000 1.101 277 M CB 0.862 33.393 32.600 -0.116 0.000 1.592 277 M HN 0.039 nan 8.290 nan 0.000 0.461 278 E N 0.620 120.851 120.200 0.052 0.000 2.398 278 E HA 0.332 4.682 4.350 -0.000 0.000 0.263 278 E C 0.933 177.554 176.600 0.034 0.000 1.046 278 E CA 0.668 57.092 56.400 0.041 0.000 0.908 278 E CB 0.355 30.079 29.700 0.039 0.000 0.963 278 E HN 0.953 nan 8.360 nan 0.000 0.431 279 G N 1.407 110.228 108.800 0.034 0.000 2.159 279 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 279 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 279 G C 0.013 174.936 174.900 0.038 0.000 0.977 279 G CA 0.010 45.128 45.100 0.030 0.000 0.652 279 G HN 0.376 nan 8.290 nan 0.000 0.531 280 V N 2.769 122.713 119.914 0.050 0.000 2.275 280 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 280 V C -1.618 174.521 176.094 0.076 0.000 1.028 280 V CA -1.485 60.860 62.300 0.075 0.000 0.810 280 V CB 1.352 33.238 31.823 0.105 0.000 1.043 280 V HN 0.230 nan 8.190 nan 0.000 0.453 281 P HA 0.177 nan 4.420 nan 0.000 0.276 281 P C 1.085 178.425 177.300 0.066 0.000 1.230 281 P CA -0.098 63.033 63.100 0.052 0.000 0.776 281 P CB 1.282 33.001 31.700 0.033 0.000 0.888 282 S N 2.537 118.274 115.700 0.061 0.000 2.383 282 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 282 S C 1.855 176.498 174.600 0.071 0.000 1.030 282 S CA 1.079 59.318 58.200 0.066 0.000 1.002 282 S CB -1.292 61.936 63.200 0.047 0.000 0.829 282 S HN 0.495 nan 8.310 nan 0.000 0.467 283 A N 1.754 124.612 122.820 0.063 0.000 2.070 283 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 283 A C 2.175 179.839 177.584 0.133 0.000 1.159 283 A CA 1.291 53.376 52.037 0.080 0.000 0.656 283 A CB -0.443 18.589 19.000 0.052 0.000 0.800 283 A HN 0.619 nan 8.150 nan 0.000 0.453 284 K N -0.757 119.706 120.400 0.105 0.000 2.400 284 K HA 0.237 4.557 4.320 -0.000 0.000 0.194 284 K C -0.291 176.433 176.600 0.207 0.000 1.033 284 K CA 0.058 56.428 56.287 0.138 0.000 1.021 284 K CB 0.145 32.674 32.500 0.048 0.000 0.808 284 K HN 0.469 nan 8.250 nan 0.000 0.505 285 I N 2.048 122.703 120.570 0.141 0.000 2.371 285 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 285 I C -0.330 175.833 176.117 0.075 0.000 1.028 285 I CA -0.538 60.813 61.300 0.085 0.000 1.345 285 I CB 1.247 39.277 38.000 0.049 0.000 1.407 285 I HN -0.286 nan 8.210 nan 0.000 0.501 286 V N 7.400 127.338 119.914 0.039 0.000 2.495 286 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 286 V C 0.089 176.198 176.094 0.025 0.000 1.031 286 V CA -0.708 61.588 62.300 -0.007 0.000 0.871 286 V CB 1.916 33.674 31.823 -0.109 0.000 0.988 286 V HN 0.698 nan 8.190 nan 0.000 0.432 287 M N 4.093 123.731 119.600 0.063 0.000 2.105 287 M HA 0.481 4.961 4.480 -0.000 0.000 0.350 287 M C 0.590 176.964 176.300 0.124 0.000 1.308 287 M CA -0.161 55.191 55.300 0.087 0.000 1.108 287 M CB 0.436 33.111 32.600 0.125 0.000 1.622 287 M HN 0.828 nan 8.290 nan 0.000 0.468 288 G N 4.221 113.105 108.800 0.140 0.000 2.432 288 G HA2 0.492 4.452 3.960 -0.000 0.000 0.257 288 G HA3 0.492 4.452 3.960 -0.000 0.000 0.257 288 G C -0.742 174.402 174.900 0.406 0.000 1.238 288 G CA -0.492 44.787 45.100 0.299 0.000 0.838 288 G HN 0.813 nan 8.290 nan 0.000 0.547 289 V N -0.177 120.024 119.914 0.479 0.000 2.962 289 V HA 0.875 4.995 4.120 -0.000 0.000 0.313 289 V C -2.722 173.587 176.094 0.359 0.000 1.099 289 V CA -2.750 59.807 62.300 0.429 0.000 0.971 289 V CB 2.651 34.596 31.823 0.204 0.000 1.028 289 V HN 0.633 nan 8.190 nan 0.000 0.430 290 P HA 0.455 nan 4.420 nan 0.000 0.294 290 P C -0.710 176.789 177.300 0.332 0.000 1.294 290 P CA -0.278 62.770 63.100 -0.087 0.000 0.827 290 P CB 1.277 32.560 31.700 -0.695 0.000 0.992 291 F N 2.233 122.255 119.950 0.121 0.000 2.645 291 F HA 0.208 4.735 4.527 -0.000 0.000 0.300 291 F C 0.532 176.429 175.800 0.162 0.000 1.115 291 F CA -0.516 57.552 58.000 0.114 0.000 1.355 291 F CB -0.830 38.211 39.000 0.069 0.000 1.026 291 F HN 0.255 nan 8.300 nan 0.000 0.536 292 Y N -2.486 117.953 120.300 0.233 0.000 2.609 292 Y HA 0.863 5.413 4.550 -0.000 0.000 0.342 292 Y C -0.075 175.917 175.900 0.153 0.000 1.058 292 Y CA -2.343 55.840 58.100 0.140 0.000 1.055 292 Y CB 0.812 39.331 38.460 0.099 0.000 1.292 292 Y HN -0.117 nan 8.280 nan 0.000 0.476 293 G N 1.146 110.053 108.800 0.179 0.000 2.489 293 G HA2 0.693 4.653 3.960 -0.000 0.000 0.327 293 G HA3 0.693 4.653 3.960 -0.000 0.000 0.327 293 G C -1.395 173.617 174.900 0.187 0.000 1.189 293 G CA -1.531 43.645 45.100 0.127 0.000 0.962 293 G HN 0.665 nan 8.290 nan 0.000 0.486 294 R N -0.257 120.324 120.500 0.135 0.000 2.445 294 R HA 0.643 4.983 4.340 -0.000 0.000 0.308 294 R C -0.501 175.820 176.300 0.035 0.000 0.961 294 R CA -0.495 55.644 56.100 0.065 0.000 0.862 294 R CB 2.121 32.451 30.300 0.050 0.000 1.144 294 R HN 0.615 nan 8.270 nan 0.000 0.447 295 A N 3.138 125.934 122.820 -0.040 0.000 2.355 295 A HA 0.823 5.143 4.320 -0.000 0.000 0.324 295 A C -1.262 176.397 177.584 0.124 0.000 1.117 295 A CA -0.530 51.599 52.037 0.154 0.000 0.785 295 A CB 0.842 19.954 19.000 0.188 0.000 1.254 295 A HN 0.549 nan 8.150 nan 0.000 0.453 296 F N 0.597 120.722 119.950 0.292 0.000 2.565 296 F HA 0.559 5.086 4.527 -0.000 0.000 0.313 296 F C 0.395 176.174 175.800 -0.036 0.000 1.091 296 F CA -0.611 57.467 58.000 0.130 0.000 0.915 296 F CB 2.400 41.389 39.000 -0.017 0.000 1.208 296 F HN 0.705 nan 8.300 nan 0.000 0.453 297 K N -0.265 120.023 120.400 -0.187 0.000 2.306 297 K HA 0.824 5.144 4.320 -0.000 0.000 0.236 297 K C 0.451 176.986 176.600 -0.109 0.000 1.013 297 K CA -0.696 55.355 56.287 -0.394 0.000 0.857 297 K CB 1.861 33.724 32.500 -1.061 0.000 1.214 297 K HN 0.926 nan 8.250 nan 0.000 0.449 298 G N -0.085 108.652 108.800 -0.105 0.000 2.176 298 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 298 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 298 G C 0.000 174.921 174.900 0.034 0.000 1.024 298 G CA 0.191 45.269 45.100 -0.036 0.000 0.755 298 G HN 0.910 nan 8.290 nan 0.000 0.507 299 V N -2.450 117.509 119.914 0.075 0.000 2.904 299 V HA 0.903 5.023 4.120 -0.000 0.000 0.305 299 V C 0.608 176.762 176.094 0.100 0.000 1.067 299 V CA 0.012 62.362 62.300 0.083 0.000 1.044 299 V CB 1.737 33.621 31.823 0.102 0.000 1.050 299 V HN 0.465 nan 8.190 nan 0.000 0.475 300 S N 1.455 117.186 115.700 0.050 0.000 2.745 300 S HA 0.802 5.272 4.470 -0.000 0.000 0.292 300 S C 0.336 174.962 174.600 0.042 0.000 1.133 300 S CA 0.003 58.234 58.200 0.052 0.000 0.998 300 S CB 1.512 64.713 63.200 0.001 0.000 1.087 300 S HN 1.388 nan 8.310 nan 0.000 0.551 301 G N -1.338 107.490 108.800 0.046 0.000 2.477 301 G HA2 0.535 4.495 3.960 -0.000 0.000 0.304 301 G HA3 0.535 4.495 3.960 -0.000 0.000 0.304 301 G C 0.737 175.595 174.900 -0.069 0.000 1.175 301 G CA -0.015 45.087 45.100 0.002 0.000 0.907 301 G HN 1.229 nan 8.290 nan 0.000 0.509 302 G N -0.016 108.720 108.800 -0.108 0.000 3.033 302 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.196 302 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.196 302 G C 0.547 175.384 174.900 -0.104 0.000 1.078 302 G CA 0.436 45.490 45.100 -0.078 0.000 0.805 302 G HN 0.880 nan 8.290 nan 0.000 0.472 303 N N 0.848 119.441 118.700 -0.178 0.000 2.536 303 N HA 0.450 5.189 4.740 -0.000 0.000 0.286 303 N C 1.037 176.404 175.510 -0.240 0.000 1.577 303 N CA 1.034 53.980 53.050 -0.173 0.000 0.883 303 N CB 0.270 38.656 38.487 -0.168 0.000 1.390 303 N HN 1.534 nan 8.380 nan 0.000 0.491 304 G N -0.062 108.510 108.800 -0.380 0.000 2.176 304 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.252 304 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.252 304 G C 0.981 175.613 174.900 -0.447 0.000 1.024 304 G CA 0.553 45.347 45.100 -0.511 0.000 0.755 304 G HN 1.118 nan 8.290 nan 0.000 0.507 305 G N -1.846 106.615 108.800 -0.564 0.000 2.217 305 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 305 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 305 G C 0.410 174.804 174.900 -0.844 0.000 0.990 305 G CA 0.950 45.880 45.100 -0.283 0.000 0.627 305 G HN 1.243 nan 8.290 nan 0.000 0.522 306 Q N -0.625 118.605 119.800 -0.950 0.000 2.352 306 Q HA 0.469 4.809 4.340 -0.000 0.000 0.260 306 Q C 0.415 175.831 176.000 -0.973 0.000 0.976 306 Q CA -0.330 54.612 55.803 -1.435 0.000 0.881 306 Q CB 0.292 28.027 28.738 -1.672 0.000 1.235 306 Q HN 0.640 nan 8.270 nan 0.000 0.419 307 Y N -1.362 118.563 120.300 -0.625 0.000 3.689 307 Y HA -0.248 4.302 4.550 -0.000 0.000 0.221 307 Y C -0.056 175.657 175.900 -0.312 0.000 1.247 307 Y CA 0.613 58.480 58.100 -0.388 0.000 1.671 307 Y CB -2.302 35.993 38.460 -0.275 0.000 1.521 307 Y HN 0.480 nan 8.280 nan 0.000 0.632 308 S N 0.099 115.644 115.700 -0.259 0.000 2.549 308 S HA 0.749 5.219 4.470 -0.000 0.000 0.297 308 S C 0.447 174.982 174.600 -0.109 0.000 1.115 308 S CA -0.088 58.001 58.200 -0.185 0.000 1.059 308 S CB 1.102 64.169 63.200 -0.221 0.000 1.046 308 S HN 0.571 nan 8.310 nan 0.000 0.506 309 S N 3.333 118.997 115.700 -0.061 0.000 2.587 309 S HA 0.389 4.859 4.470 -0.000 0.000 0.260 309 S C -0.140 174.476 174.600 0.028 0.000 1.353 309 S CA -0.179 57.999 58.200 -0.036 0.000 0.995 309 S CB 0.063 63.221 63.200 -0.069 0.000 0.912 309 S HN 1.006 nan 8.310 nan 0.000 0.568 310 H N -2.002 117.044 119.070 -0.039 0.000 2.918 310 H HA 0.522 5.078 4.556 -0.000 0.000 0.303 310 H C -1.153 174.178 175.328 0.006 0.000 1.380 310 H CA -0.395 55.650 56.048 -0.006 0.000 1.134 310 H CB 0.842 30.642 29.762 0.063 0.000 1.842 310 H HN 0.792 nan 8.280 nan 0.000 0.533 311 S N -0.122 115.608 115.700 0.050 0.000 2.835 311 S HA 0.207 4.677 4.470 -0.000 0.000 0.248 311 S C -0.632 173.995 174.600 0.044 0.000 1.070 311 S CA -0.476 57.706 58.200 -0.029 0.000 1.090 311 S CB -0.520 62.642 63.200 -0.062 0.000 0.978 311 S HN 0.569 nan 8.310 nan 0.000 0.510 312 T N 5.538 120.226 114.554 0.223 0.000 2.728 312 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 312 T C -2.529 172.341 174.700 0.285 0.000 0.940 312 T CA -1.153 61.126 62.100 0.298 0.000 1.013 312 T CB 0.967 70.041 68.868 0.343 0.000 0.912 312 T HN 0.329 nan 8.240 nan 0.000 0.484 313 P HA 0.271 nan 4.420 nan 0.000 0.275 313 P C 0.670 178.123 177.300 0.255 0.000 1.228 313 P CA -0.326 62.901 63.100 0.211 0.000 0.786 313 P CB 1.083 32.873 31.700 0.149 0.000 0.927 314 G N 1.584 110.521 108.800 0.228 0.000 3.020 314 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 314 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 314 G C 0.274 175.322 174.900 0.246 0.000 1.144 314 G CA 0.007 45.276 45.100 0.282 0.000 0.760 314 G HN 0.425 nan 8.290 nan 0.000 0.548 315 E N 1.147 121.454 120.200 0.179 0.000 2.390 315 E HA 0.352 4.702 4.350 -0.000 0.000 0.261 315 E C -0.815 175.878 176.600 0.154 0.000 1.076 315 E CA 0.202 56.686 56.400 0.140 0.000 0.905 315 E CB 0.872 30.626 29.700 0.089 0.000 0.984 315 E HN 0.009 nan 8.360 nan 0.000 0.427 316 D N 2.531 123.013 120.400 0.136 0.000 2.502 316 D HA 0.273 4.913 4.640 -0.000 0.000 0.249 316 D C -1.983 174.389 176.300 0.121 0.000 1.092 316 D CA -1.253 52.830 54.000 0.139 0.000 0.839 316 D CB 1.159 42.044 40.800 0.142 0.000 1.264 316 D HN 0.287 nan 8.370 nan 0.000 0.511 317 P HA 0.130 nan 4.420 nan 0.000 0.276 317 P C -0.306 177.088 177.300 0.157 0.000 1.261 317 P CA -0.543 62.641 63.100 0.140 0.000 0.800 317 P CB 0.652 32.426 31.700 0.124 0.000 1.066 318 Y N 2.704 123.053 120.300 0.083 0.000 2.863 318 Y HA -0.050 4.500 4.550 0.000 0.000 0.359 318 Y C -1.260 174.697 175.900 0.094 0.000 1.312 318 Y CA -1.171 56.988 58.100 0.097 0.000 1.650 318 Y CB 0.025 38.544 38.460 0.099 0.000 1.201 318 Y HN 0.229 nan 8.280 nan 0.000 0.531 319 P HA 0.070 nan 4.420 nan 0.000 0.235 319 P C -0.767 176.298 177.300 -0.392 0.000 1.725 319 P CA 0.517 63.448 63.100 -0.282 0.000 0.894 319 P CB -0.034 31.576 31.700 -0.150 0.000 1.704 320 S N -1.237 114.149 115.700 -0.524 0.000 2.660 320 S HA 0.293 4.763 4.470 -0.000 0.000 0.264 320 S C 0.263 174.771 174.600 -0.152 0.000 1.131 320 S CA -0.007 57.995 58.200 -0.330 0.000 0.846 320 S CB 0.266 63.261 63.200 -0.341 0.000 1.151 320 S HN 0.033 nan 8.310 nan 0.000 0.486 321 T N -1.294 113.165 114.554 -0.159 0.000 3.044 321 T HA 0.308 4.658 4.350 -0.000 0.000 0.260 321 T C -0.132 174.134 174.700 -0.723 0.000 1.019 321 T CA 0.323 62.203 62.100 -0.365 0.000 0.921 321 T CB -0.262 68.485 68.868 -0.201 0.000 1.053 321 T HN 0.567 nan 8.240 nan 0.000 0.533 322 D N 1.764 122.011 120.400 -0.256 0.000 2.352 322 D HA 0.138 4.778 4.640 -0.000 0.000 0.245 322 D C -1.216 175.007 176.300 -0.129 0.000 1.224 322 D CA -0.567 53.369 54.000 -0.106 0.000 0.879 322 D CB 0.067 40.978 40.800 0.185 0.000 1.057 322 D HN 0.298 nan 8.370 nan 0.000 0.491 323 Y N 4.754 125.057 120.300 0.005 0.000 2.700 323 Y HA 0.201 4.751 4.550 -0.000 0.000 0.333 323 Y C 0.566 176.335 175.900 -0.219 0.000 1.036 323 Y CA -1.103 56.831 58.100 -0.276 0.000 1.287 323 Y CB 0.114 38.442 38.460 -0.220 0.000 1.132 323 Y HN 0.505 nan 8.280 nan 0.000 0.510 324 W N 1.652 122.994 121.300 0.070 0.000 3.316 324 W HA 0.304 4.964 4.660 -0.000 0.000 0.327 324 W C -0.672 175.833 176.519 -0.024 0.000 1.232 324 W CA -0.536 56.820 57.345 0.019 0.000 1.805 324 W CB 0.121 29.598 29.460 0.027 0.000 1.090 324 W HN 0.338 nan 8.180 nan 0.000 0.654 325 L N 3.264 124.425 121.223 -0.103 0.000 2.401 325 L HA 0.241 4.581 4.340 -0.000 0.000 0.283 325 L C 0.368 177.213 176.870 -0.042 0.000 1.151 325 L CA -0.599 54.230 54.840 -0.020 0.000 0.942 325 L CB 0.205 42.106 42.059 -0.263 0.000 1.283 325 L HN -0.199 nan 8.230 nan 0.000 0.442 326 V N 5.891 125.807 119.914 0.003 0.000 2.625 326 V HA 0.186 4.306 4.120 -0.000 0.000 0.305 326 V C 1.595 177.551 176.094 -0.230 0.000 1.055 326 V CA 1.178 63.424 62.300 -0.089 0.000 1.209 326 V CB -0.221 31.507 31.823 -0.158 0.000 0.877 326 V HN 1.070 nan 8.190 nan 0.000 0.489 327 G N 2.962 111.455 108.800 -0.512 0.000 2.199 327 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 327 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 327 G C 0.507 175.093 174.900 -0.523 0.000 0.982 327 G CA 0.029 44.488 45.100 -1.070 0.000 0.632 327 G HN 0.991 nan 8.290 nan 0.000 0.529 328 C N 2.080 121.180 119.300 -0.333 0.000 2.218 328 C HA 0.671 5.131 4.460 -0.000 0.000 0.353 328 C C 1.958 176.812 174.990 -0.226 0.000 1.070 328 C CA 1.049 59.904 59.018 -0.271 0.000 1.497 328 C CB -1.003 26.574 27.740 -0.271 0.000 1.951 328 C HN 0.803 nan 8.230 nan 0.000 0.493 329 E N 2.071 122.159 120.200 -0.187 0.000 2.077 329 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 329 E C 1.714 178.216 176.600 -0.163 0.000 0.989 329 E CA 1.845 58.157 56.400 -0.146 0.000 0.800 329 E CB -0.474 29.168 29.700 -0.098 0.000 0.746 329 E HN 0.918 nan 8.360 nan 0.000 0.452 330 E N -0.646 119.458 120.200 -0.161 0.000 2.153 330 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 330 E C 2.252 178.726 176.600 -0.210 0.000 0.988 330 E CA 0.984 57.292 56.400 -0.153 0.000 0.811 330 E CB -0.421 29.203 29.700 -0.125 0.000 0.746 330 E HN 0.644 nan 8.360 nan 0.000 0.466 331 C N 0.096 119.238 119.300 -0.263 0.000 2.425 331 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 331 C C 2.642 177.332 174.990 -0.500 0.000 1.280 331 C CA 0.298 59.103 59.018 -0.354 0.000 1.744 331 C CB -0.572 26.939 27.740 -0.383 0.000 1.989 331 C HN 0.262 nan 8.230 nan 0.000 0.491 332 V N 1.413 121.045 119.914 -0.469 0.000 2.488 332 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 332 V C 2.674 178.479 176.094 -0.480 0.000 1.046 332 V CA 1.890 63.788 62.300 -0.670 0.000 1.053 332 V CB -0.809 30.793 31.823 -0.369 0.000 0.679 332 V HN 0.545 nan 8.190 nan 0.000 0.458 333 R N 0.696 121.025 120.500 -0.285 0.000 2.081 333 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 333 R C 1.420 177.609 176.300 -0.186 0.000 1.131 333 R CA 2.220 58.210 56.100 -0.184 0.000 0.960 333 R CB -0.364 29.865 30.300 -0.119 0.000 0.856 333 R HN 0.414 nan 8.270 nan 0.000 0.436 334 D N 0.644 120.913 120.400 -0.218 0.000 2.340 334 D HA 0.038 4.678 4.640 -0.000 0.000 0.220 334 D C -0.146 176.031 176.300 -0.204 0.000 1.039 334 D CA 0.299 54.200 54.000 -0.164 0.000 0.866 334 D CB 0.196 40.918 40.800 -0.130 0.000 0.913 334 D HN 0.219 nan 8.370 nan 0.000 0.523 335 K N 0.971 121.149 120.400 -0.370 0.000 3.148 335 K HA -0.191 4.129 4.320 -0.000 0.000 0.267 335 K C -0.563 175.944 176.600 -0.155 0.000 0.996 335 K CA 0.559 56.621 56.287 -0.375 0.000 0.737 335 K CB -1.078 31.424 32.500 0.004 0.000 1.308 335 K HN 0.108 nan 8.250 nan 0.000 0.470 336 D N -0.670 119.505 120.400 -0.375 0.000 2.591 336 D HA 0.122 4.762 4.640 -0.000 0.000 0.222 336 D C -2.314 173.624 176.300 -0.604 0.000 1.360 336 D CA -1.647 52.063 54.000 -0.484 0.000 0.967 336 D CB 1.516 42.180 40.800 -0.226 0.000 1.456 336 D HN -0.157 nan 8.370 nan 0.000 0.588 337 P HA 0.137 nan 4.420 nan 0.000 0.253 337 P C 0.659 177.462 177.300 -0.828 0.000 1.260 337 P CA 0.052 62.568 63.100 -0.973 0.000 0.800 337 P CB 0.361 31.037 31.700 -1.706 0.000 1.162 338 R N -0.701 119.498 120.500 -0.502 0.000 2.300 338 R HA 0.268 4.608 4.340 -0.000 0.000 0.199 338 R C 0.597 176.810 176.300 -0.145 0.000 0.920 338 R CA 0.252 56.221 56.100 -0.218 0.000 1.046 338 R CB 0.348 30.598 30.300 -0.082 0.000 0.984 338 R HN 0.172 nan 8.270 nan 0.000 0.493 339 I N 0.368 120.840 120.570 -0.163 0.000 2.619 339 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 339 I C -1.017 175.044 176.117 -0.093 0.000 1.100 339 I CA -0.826 60.436 61.300 -0.063 0.000 1.043 339 I CB 2.044 40.007 38.000 -0.062 0.000 1.239 339 I HN -0.107 nan 8.210 nan 0.000 0.420 340 A N 4.088 126.890 122.820 -0.030 0.000 2.455 340 A HA 0.667 4.987 4.320 -0.000 0.000 0.300 340 A C -0.092 177.488 177.584 -0.006 0.000 1.040 340 A CA -0.518 51.470 52.037 -0.082 0.000 0.697 340 A CB 1.605 20.501 19.000 -0.174 0.000 1.265 340 A HN 0.772 nan 8.150 nan 0.000 0.407 341 S N 1.483 117.165 115.700 -0.031 0.000 2.576 341 S HA 0.133 4.603 4.470 -0.000 0.000 0.272 341 S C 0.925 175.504 174.600 -0.035 0.000 1.352 341 S CA 0.487 58.693 58.200 0.009 0.000 1.021 341 S CB 0.032 63.199 63.200 -0.056 0.000 0.887 341 S HN 1.201 nan 8.310 nan 0.000 0.542 342 Y N 2.602 122.862 120.300 -0.068 0.000 2.114 342 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 342 Y C 2.729 178.539 175.900 -0.150 0.000 1.165 342 Y CA 2.276 60.298 58.100 -0.130 0.000 1.148 342 Y CB -0.374 37.986 38.460 -0.167 0.000 0.972 342 Y HN 0.847 nan 8.280 nan 0.000 0.504 343 R N -0.075 120.343 120.500 -0.137 0.000 2.112 343 R HA -0.324 4.016 4.340 -0.000 0.000 0.242 343 R C 2.384 178.528 176.300 -0.259 0.000 1.137 343 R CA 2.349 58.341 56.100 -0.180 0.000 0.944 343 R CB -0.466 29.791 30.300 -0.071 0.000 0.857 343 R HN 0.431 nan 8.270 nan 0.000 0.435 344 Q N 0.463 120.130 119.800 -0.223 0.000 2.119 344 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 344 Q C 2.115 177.924 176.000 -0.320 0.000 0.972 344 Q CA 1.525 57.189 55.803 -0.231 0.000 0.847 344 Q CB -0.181 28.438 28.738 -0.199 0.000 0.903 344 Q HN 0.478 nan 8.270 nan 0.000 0.433 345 L N 0.256 121.229 121.223 -0.417 0.000 2.079 345 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 345 L C 2.495 179.050 176.870 -0.525 0.000 1.081 345 L CA 1.795 56.312 54.840 -0.538 0.000 0.752 345 L CB -0.541 41.106 42.059 -0.686 0.000 0.896 345 L HN 0.409 nan 8.230 nan 0.000 0.433 346 E N 0.099 119.925 120.200 -0.623 0.000 2.085 346 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 346 E C 2.181 178.627 176.600 -0.256 0.000 0.994 346 E CA 1.432 57.543 56.400 -0.483 0.000 0.801 346 E CB 0.048 29.390 29.700 -0.596 0.000 0.743 346 E HN 0.540 nan 8.360 nan 0.000 0.453 347 Q N -0.317 119.353 119.800 -0.217 0.000 2.119 347 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 347 Q C 2.253 178.251 176.000 -0.003 0.000 0.972 347 Q CA 1.603 57.352 55.803 -0.090 0.000 0.847 347 Q CB -0.078 28.616 28.738 -0.073 0.000 0.903 347 Q HN 0.374 nan 8.270 nan 0.000 0.433 348 M N 0.186 119.736 119.600 -0.084 0.000 2.159 348 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 348 M C 2.086 178.482 176.300 0.160 0.000 1.063 348 M CA 1.296 56.616 55.300 0.033 0.000 1.110 348 M CB -0.146 32.274 32.600 -0.299 0.000 1.374 348 M HN 0.231 nan 8.290 nan 0.000 0.411 349 L N 0.315 121.510 121.223 -0.046 0.000 2.141 349 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 349 L C 2.495 179.397 176.870 0.053 0.000 1.094 349 L CA 1.290 56.135 54.840 0.009 0.000 0.763 349 L CB -0.293 41.717 42.059 -0.081 0.000 0.908 349 L HN 0.487 nan 8.230 nan 0.000 0.437 350 Q N -1.633 118.178 119.800 0.019 0.000 2.360 350 Q HA 0.050 4.389 4.340 -0.000 0.000 0.202 350 Q C 1.325 177.321 176.000 -0.006 0.000 0.915 350 Q CA 0.642 56.447 55.803 0.003 0.000 0.943 350 Q CB 0.215 28.942 28.738 -0.018 0.000 1.064 350 Q HN 0.313 nan 8.270 nan 0.000 0.511 351 G N 1.650 110.464 108.800 0.023 0.000 3.141 351 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 351 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 351 G C 0.314 174.964 174.900 -0.416 0.000 1.170 351 G CA -0.159 44.857 45.100 -0.140 0.000 0.769 351 G HN 0.633 nan 8.290 nan 0.000 0.546 352 N N -1.084 117.514 118.700 -0.171 0.000 2.756 352 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 352 N C -0.155 175.217 175.510 -0.230 0.000 1.062 352 N CA 0.100 53.042 53.050 -0.179 0.000 0.696 352 N CB -0.781 37.592 38.487 -0.190 0.000 0.946 352 N HN 0.411 nan 8.380 nan 0.000 0.548 353 Y N -0.610 119.743 120.300 0.088 0.000 2.485 353 Y HA 0.308 4.858 4.550 -0.000 0.000 0.260 353 Y C 1.912 177.807 175.900 -0.009 0.000 1.173 353 Y CA 0.882 59.041 58.100 0.097 0.000 1.252 353 Y CB 0.688 39.293 38.460 0.243 0.000 1.123 353 Y HN 0.398 nan 8.280 nan 0.000 0.524 354 G N -1.315 107.476 108.800 -0.015 0.000 2.179 354 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 354 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 354 G C -0.256 174.329 174.900 -0.524 0.000 0.990 354 G CA -0.579 44.277 45.100 -0.406 0.000 0.646 354 G HN 0.241 nan 8.290 nan 0.000 0.517 355 Y N 1.289 121.618 120.300 0.048 0.000 2.299 355 Y HA 0.580 5.130 4.550 -0.000 0.000 0.326 355 Y C 0.966 176.869 175.900 0.006 0.000 1.164 355 Y CA -0.137 57.993 58.100 0.049 0.000 1.234 355 Y CB 0.918 39.435 38.460 0.095 0.000 1.219 355 Y HN 0.240 nan 8.280 nan 0.000 0.497 356 Q N 2.723 122.630 119.800 0.178 0.000 2.322 356 Q HA 0.404 4.744 4.340 -0.000 0.000 0.265 356 Q C -0.652 175.419 176.000 0.118 0.000 0.985 356 Q CA -0.979 54.898 55.803 0.123 0.000 0.849 356 Q CB 2.257 31.062 28.738 0.111 0.000 1.274 356 Q HN 0.503 nan 8.270 nan 0.000 0.449 357 R N 3.646 124.194 120.500 0.080 0.000 2.234 357 R HA 0.408 4.748 4.340 -0.000 0.000 0.324 357 R C -1.147 175.133 176.300 -0.034 0.000 1.054 357 R CA -0.020 56.114 56.100 0.058 0.000 0.912 357 R CB 0.332 30.698 30.300 0.110 0.000 1.030 357 R HN 0.629 nan 8.270 nan 0.000 0.455 358 L N 3.455 124.536 121.223 -0.237 0.000 2.286 358 L HA 0.600 4.940 4.340 -0.000 0.000 0.265 358 L C -0.740 176.033 176.870 -0.162 0.000 1.012 358 L CA -0.986 53.640 54.840 -0.356 0.000 0.818 358 L CB 2.014 43.563 42.059 -0.850 0.000 1.337 358 L HN 0.609 nan 8.230 nan 0.000 0.438 359 W N 1.883 123.109 121.300 -0.122 0.000 2.839 359 W HA 0.321 4.981 4.660 0.000 0.000 0.334 359 W C -1.431 175.217 176.519 0.215 0.000 1.064 359 W CA -0.556 56.828 57.345 0.065 0.000 1.236 359 W CB 1.939 31.406 29.460 0.012 0.000 1.405 359 W HN 0.437 nan 8.180 nan 0.000 0.478 360 N N 3.838 122.320 118.700 -0.363 0.000 2.426 360 N HA 0.028 4.768 4.740 -0.000 0.000 0.257 360 N C -0.076 175.018 175.510 -0.693 0.000 1.002 360 N CA 0.282 53.120 53.050 -0.353 0.000 0.942 360 N CB 1.341 39.609 38.487 -0.364 0.000 1.112 360 N HN 0.449 nan 8.380 nan 0.000 0.499 361 D N 2.594 122.838 120.400 -0.260 0.000 2.340 361 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 361 D C 1.095 177.331 176.300 -0.106 0.000 1.039 361 D CA 0.688 54.630 54.000 -0.098 0.000 0.866 361 D CB 0.591 41.520 40.800 0.215 0.000 0.913 361 D HN 0.440 nan 8.370 nan 0.000 0.523 362 K N -0.878 119.441 120.400 -0.135 0.000 2.078 362 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 362 K C 2.023 178.569 176.600 -0.091 0.000 1.043 362 K CA 1.380 57.624 56.287 -0.071 0.000 0.960 362 K CB -0.478 32.000 32.500 -0.037 0.000 0.761 362 K HN 0.224 nan 8.250 nan 0.000 0.448 363 T N -0.802 113.601 114.554 -0.253 0.000 3.067 363 T HA 0.037 4.387 4.350 -0.000 0.000 0.261 363 T C 0.483 174.932 174.700 -0.419 0.000 1.110 363 T CA 0.132 62.048 62.100 -0.306 0.000 1.113 363 T CB 0.009 68.574 68.868 -0.505 0.000 0.917 363 T HN 0.004 nan 8.240 nan 0.000 0.499 364 K N 2.081 122.113 120.400 -0.614 0.000 3.125 364 K HA -0.114 4.206 4.320 -0.000 0.000 0.268 364 K C -0.040 176.009 176.600 -0.918 0.000 1.078 364 K CA 1.229 57.038 56.287 -0.797 0.000 0.775 364 K CB -2.818 29.335 32.500 -0.578 0.000 1.253 364 K HN 0.894 nan 8.250 nan 0.000 0.486 365 T N -2.369 111.462 114.554 -1.204 0.000 2.903 365 T HA 0.714 5.064 4.350 -0.000 0.000 0.299 365 T C -2.934 171.344 174.700 -0.703 0.000 1.093 365 T CA -1.803 59.825 62.100 -0.788 0.000 1.002 365 T CB 3.744 72.366 68.868 -0.409 0.000 1.127 365 T HN -0.157 nan 8.240 nan 0.000 0.488 366 P HA 0.550 nan 4.420 nan 0.000 0.280 366 P C -1.645 175.695 177.300 0.067 0.000 1.272 366 P CA -0.494 62.575 63.100 -0.050 0.000 0.819 366 P CB 0.629 32.207 31.700 -0.202 0.000 1.122 367 Y N -2.069 118.276 120.300 0.074 0.000 2.624 367 Y HA 0.634 5.184 4.550 -0.000 0.000 0.334 367 Y C -1.614 174.430 175.900 0.239 0.000 1.155 367 Y CA -1.554 56.612 58.100 0.111 0.000 1.046 367 Y CB 0.474 38.919 38.460 -0.026 0.000 1.316 367 Y HN 0.097 nan 8.280 nan 0.000 0.457 368 L N 2.754 124.105 121.223 0.213 0.000 2.325 368 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 368 L C -1.354 175.742 176.870 0.376 0.000 1.023 368 L CA -1.099 53.860 54.840 0.198 0.000 0.811 368 L CB 1.823 43.941 42.059 0.099 0.000 1.249 368 L HN 0.765 nan 8.230 nan 0.000 0.431 369 Y N 2.060 122.515 120.300 0.258 0.000 2.391 369 Y HA 0.350 4.900 4.550 -0.000 0.000 0.341 369 Y C -0.815 175.240 175.900 0.259 0.000 0.965 369 Y CA -0.843 57.440 58.100 0.304 0.000 1.067 369 Y CB 1.168 39.780 38.460 0.254 0.000 1.199 369 Y HN 0.481 nan 8.280 nan 0.000 0.450 370 H N 5.953 124.834 119.070 -0.315 0.000 2.691 370 H HA 0.493 5.049 4.556 -0.000 0.000 0.281 370 H C 0.111 174.966 175.328 -0.789 0.000 1.121 370 H CA 0.526 56.275 56.048 -0.499 0.000 1.254 370 H CB 1.514 31.017 29.762 -0.431 0.000 1.390 370 H HN 0.977 nan 8.280 nan 0.000 0.491 371 A N 3.741 126.019 122.820 -0.904 0.000 1.930 371 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 371 A C 2.179 179.596 177.584 -0.277 0.000 1.175 371 A CA 1.355 52.985 52.037 -0.679 0.000 0.627 371 A CB -0.254 18.570 19.000 -0.293 0.000 0.815 371 A HN 0.780 nan 8.150 nan 0.000 0.443 372 Q N -0.738 118.910 119.800 -0.254 0.000 2.167 372 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 372 Q C 0.952 176.975 176.000 0.038 0.000 0.970 372 Q CA 1.781 57.539 55.803 -0.074 0.000 0.855 372 Q CB -0.047 28.642 28.738 -0.082 0.000 0.911 372 Q HN 0.618 nan 8.270 nan 0.000 0.438 373 N N -1.104 117.685 118.700 0.148 0.000 2.273 373 N HA 0.155 4.895 4.740 -0.000 0.000 0.192 373 N C -0.196 175.327 175.510 0.022 0.000 1.132 373 N CA 0.862 53.956 53.050 0.073 0.000 0.887 373 N CB 1.317 39.771 38.487 -0.055 0.000 1.048 373 N HN 0.320 nan 8.380 nan 0.000 0.490 374 G N 1.153 109.966 108.800 0.022 0.000 2.324 374 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.292 374 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.292 374 G C -0.591 174.368 174.900 0.097 0.000 1.079 374 G CA 0.074 45.208 45.100 0.055 0.000 1.026 374 G HN 0.201 nan 8.290 nan 0.000 0.506 375 L N -0.829 120.474 121.223 0.134 0.000 2.334 375 L HA 0.898 5.238 4.340 -0.000 0.000 0.273 375 L C -0.077 177.069 176.870 0.460 0.000 1.013 375 L CA -1.368 53.626 54.840 0.257 0.000 0.816 375 L CB 1.902 44.115 42.059 0.258 0.000 1.278 375 L HN 0.178 nan 8.230 nan 0.000 0.431 376 F N 2.100 122.242 119.950 0.319 0.000 2.556 376 F HA 0.754 5.281 4.527 -0.000 0.000 0.314 376 F C -1.235 174.782 175.800 0.361 0.000 1.106 376 F CA -0.658 57.539 58.000 0.328 0.000 0.911 376 F CB 1.831 40.911 39.000 0.133 0.000 1.190 376 F HN 0.060 nan 8.300 nan 0.000 0.448 377 V N 4.164 123.846 119.914 -0.385 0.000 2.577 377 V HA 0.442 4.562 4.120 -0.000 0.000 0.303 377 V C -0.431 175.377 176.094 -0.476 0.000 1.042 377 V CA -0.738 61.392 62.300 -0.283 0.000 0.872 377 V CB 1.640 33.390 31.823 -0.121 0.000 0.998 377 V HN 0.869 nan 8.190 nan 0.000 0.423 378 T N 5.091 119.479 114.554 -0.277 0.000 2.795 378 T HA 0.768 5.118 4.350 -0.000 0.000 0.282 378 T C -0.933 173.871 174.700 0.174 0.000 0.980 378 T CA -0.178 61.886 62.100 -0.061 0.000 1.012 378 T CB 0.592 69.466 68.868 0.011 0.000 0.936 378 T HN 0.882 nan 8.240 nan 0.000 0.457 379 Y N 1.365 121.653 120.300 -0.020 0.000 2.725 379 Y HA 0.779 5.329 4.550 -0.000 0.000 0.333 379 Y C -1.632 174.261 175.900 -0.010 0.000 1.242 379 Y CA -1.547 56.535 58.100 -0.030 0.000 1.059 379 Y CB 0.546 38.990 38.460 -0.027 0.000 1.306 379 Y HN 0.514 nan 8.280 nan 0.000 0.454 380 D N 0.601 120.929 120.400 -0.119 0.000 2.419 380 D HA 0.525 5.165 4.640 -0.000 0.000 0.234 380 D C -1.330 174.677 176.300 -0.488 0.000 1.014 380 D CA -0.102 53.707 54.000 -0.318 0.000 0.919 380 D CB 1.808 42.531 40.800 -0.129 0.000 1.366 380 D HN 0.728 nan 8.370 nan 0.000 0.490 381 D N -0.810 119.171 120.400 -0.698 0.000 2.812 381 D HA 0.396 5.036 4.640 -0.000 0.000 0.318 381 D C 0.305 176.099 176.300 -0.842 0.000 1.234 381 D CA -0.766 52.805 54.000 -0.714 0.000 0.989 381 D CB 0.324 41.039 40.800 -0.142 0.000 1.442 381 D HN 0.281 nan 8.370 nan 0.000 0.537 382 A N -0.588 121.931 122.820 -0.502 0.000 2.019 382 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 382 A C 1.890 179.482 177.584 0.015 0.000 1.164 382 A CA 2.195 54.108 52.037 -0.206 0.000 0.644 382 A CB -0.869 18.063 19.000 -0.114 0.000 0.805 382 A HN 0.618 nan 8.150 nan 0.000 0.449 383 E N 0.507 120.689 120.200 -0.031 0.000 2.076 383 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 383 E C 2.216 178.988 176.600 0.286 0.000 0.979 383 E CA 1.552 57.974 56.400 0.038 0.000 0.807 383 E CB -0.219 29.399 29.700 -0.137 0.000 0.761 383 E HN 0.654 nan 8.360 nan 0.000 0.454 384 S N -0.290 115.595 115.700 0.309 0.000 2.419 384 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 384 S C 1.723 176.593 174.600 0.450 0.000 1.016 384 S CA 0.672 59.135 58.200 0.438 0.000 0.974 384 S CB -0.526 62.759 63.200 0.142 0.000 0.786 384 S HN 0.204 nan 8.310 nan 0.000 0.492 385 F N 2.384 122.429 119.950 0.159 0.000 2.365 385 F HA 0.231 4.758 4.527 -0.000 0.000 0.300 385 F C 2.211 178.028 175.800 0.029 0.000 1.090 385 F CA -0.091 57.994 58.000 0.141 0.000 1.408 385 F CB -0.728 38.358 39.000 0.144 0.000 1.060 385 F HN 0.279 nan 8.300 nan 0.000 0.534 386 K N -0.709 119.647 120.400 -0.074 0.000 2.057 386 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 386 K C 1.942 178.352 176.600 -0.316 0.000 1.049 386 K CA 1.749 57.648 56.287 -0.647 0.000 0.931 386 K CB -0.451 31.590 32.500 -0.766 0.000 0.714 386 K HN 0.231 nan 8.250 nan 0.000 0.440 387 Y N 1.224 121.566 120.300 0.071 0.000 2.220 387 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 387 Y C 2.189 178.177 175.900 0.148 0.000 1.129 387 Y CA 1.084 59.267 58.100 0.138 0.000 1.161 387 Y CB -0.125 38.440 38.460 0.176 0.000 0.997 387 Y HN -0.066 nan 8.280 nan 0.000 0.522 388 K N 0.017 120.583 120.400 0.277 0.000 2.057 388 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 388 K C 2.375 179.126 176.600 0.251 0.000 1.049 388 K CA 1.172 57.582 56.287 0.206 0.000 0.931 388 K CB -0.357 32.249 32.500 0.177 0.000 0.714 388 K HN 0.288 nan 8.250 nan 0.000 0.440 389 A N 1.636 124.561 122.820 0.175 0.000 1.930 389 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 389 A C 2.033 179.794 177.584 0.295 0.000 1.175 389 A CA 1.579 53.724 52.037 0.181 0.000 0.627 389 A CB -0.324 18.605 19.000 -0.119 0.000 0.815 389 A HN 0.222 nan 8.150 nan 0.000 0.443 390 K N -1.758 118.766 120.400 0.207 0.000 2.097 390 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 390 K C 1.886 178.656 176.600 0.283 0.000 1.049 390 K CA 1.682 58.100 56.287 0.218 0.000 0.933 390 K CB -0.391 32.200 32.500 0.152 0.000 0.717 390 K HN 0.519 nan 8.250 nan 0.000 0.442 391 Y N 1.167 121.584 120.300 0.195 0.000 2.181 391 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 391 Y C 1.761 177.766 175.900 0.174 0.000 1.146 391 Y CA 1.650 59.863 58.100 0.189 0.000 1.164 391 Y CB -0.029 38.521 38.460 0.151 0.000 0.982 391 Y HN 0.017 nan 8.280 nan 0.000 0.515 392 I N 0.203 121.000 120.570 0.378 0.000 2.208 392 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 392 I C 2.293 178.505 176.117 0.159 0.000 1.097 392 I CA 1.738 63.199 61.300 0.268 0.000 1.363 392 I CB -0.346 37.877 38.000 0.370 0.000 1.051 392 I HN 0.219 nan 8.210 nan 0.000 0.413 393 K N 0.239 120.766 120.400 0.212 0.000 2.025 393 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 393 K C 2.155 178.798 176.600 0.071 0.000 1.049 393 K CA 1.258 57.632 56.287 0.145 0.000 0.933 393 K CB -0.178 32.445 32.500 0.205 0.000 0.714 393 K HN 0.388 nan 8.250 nan 0.000 0.438 394 Q N 0.407 120.241 119.800 0.057 0.000 2.124 394 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 394 Q C 1.724 177.687 176.000 -0.062 0.000 0.977 394 Q CA 0.996 56.801 55.803 0.004 0.000 0.850 394 Q CB 0.136 28.879 28.738 0.008 0.000 0.901 394 Q HN 0.256 nan 8.270 nan 0.000 0.429 395 Q N 0.089 119.802 119.800 -0.146 0.000 2.360 395 Q HA 0.017 4.356 4.340 -0.000 0.000 0.202 395 Q C -0.246 175.721 176.000 -0.055 0.000 0.915 395 Q CA 0.183 55.889 55.803 -0.163 0.000 0.943 395 Q CB 0.641 29.170 28.738 -0.349 0.000 1.064 395 Q HN 0.403 nan 8.270 nan 0.000 0.511 396 Q N 0.496 120.285 119.800 -0.018 0.000 2.468 396 Q HA -0.192 4.148 4.340 -0.000 0.000 0.289 396 Q C -0.512 175.501 176.000 0.020 0.000 1.299 396 Q CA 0.322 56.130 55.803 0.008 0.000 0.838 396 Q CB -1.969 26.775 28.738 0.009 0.000 1.195 396 Q HN 0.379 nan 8.270 nan 0.000 0.456 397 L N -1.574 119.665 121.223 0.025 0.000 2.475 397 L HA 0.239 4.579 4.340 -0.000 0.000 0.253 397 L C 1.832 178.718 176.870 0.027 0.000 1.198 397 L CA 0.527 55.395 54.840 0.046 0.000 0.814 397 L CB 0.163 42.268 42.059 0.077 0.000 1.134 397 L HN 0.298 nan 8.230 nan 0.000 0.478 398 G N -0.588 108.245 108.800 0.055 0.000 2.484 398 G HA2 0.363 4.323 3.960 -0.000 0.000 0.218 398 G HA3 0.363 4.323 3.960 -0.000 0.000 0.218 398 G C 0.560 175.395 174.900 -0.108 0.000 1.130 398 G CA 0.745 45.887 45.100 0.069 0.000 0.784 398 G HN 0.961 nan 8.290 nan 0.000 0.543 399 G N -2.044 106.670 108.800 -0.144 0.000 2.356 399 G HA2 0.359 4.319 3.960 -0.000 0.000 0.266 399 G HA3 0.359 4.319 3.960 -0.000 0.000 0.266 399 G C -1.771 173.103 174.900 -0.044 0.000 1.312 399 G CA 0.086 45.051 45.100 -0.225 0.000 0.922 399 G HN 0.797 nan 8.290 nan 0.000 0.480 400 V N 1.256 121.190 119.914 0.034 0.000 2.823 400 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 400 V C -0.481 175.675 176.094 0.103 0.000 1.072 400 V CA -0.741 61.646 62.300 0.146 0.000 0.937 400 V CB 1.755 33.748 31.823 0.282 0.000 1.013 400 V HN 1.149 nan 8.190 nan 0.000 0.430 401 M N 6.939 126.621 119.600 0.136 0.000 2.591 401 M HA 0.688 5.168 4.480 -0.000 0.000 0.306 401 M C -1.946 174.520 176.300 0.278 0.000 1.190 401 M CA -0.572 54.801 55.300 0.121 0.000 0.889 401 M CB 1.907 34.575 32.600 0.114 0.000 1.728 401 M HN 0.728 nan 8.290 nan 0.000 0.458 402 F N 1.707 121.716 119.950 0.098 0.000 2.613 402 F HA 0.745 5.272 4.527 -0.000 0.000 0.310 402 F C -2.021 173.841 175.800 0.103 0.000 1.085 402 F CA -1.129 56.852 58.000 -0.030 0.000 0.945 402 F CB 1.182 39.836 39.000 -0.577 0.000 1.298 402 F HN 0.690 nan 8.300 nan 0.000 0.455 403 W N 5.182 126.504 121.300 0.037 0.000 2.411 403 W HA 0.555 5.215 4.660 -0.000 0.000 0.317 403 W C -1.905 174.679 176.519 0.107 0.000 1.030 403 W CA -0.667 56.683 57.345 0.007 0.000 1.239 403 W CB 1.407 30.767 29.460 -0.167 0.000 1.304 403 W HN 1.016 nan 8.180 nan 0.000 0.437 404 H N 2.061 120.939 119.070 -0.320 0.000 2.977 404 H HA 0.393 4.949 4.556 -0.000 0.000 0.350 404 H C 0.369 175.576 175.328 -0.201 0.000 1.238 404 H CA -0.929 54.808 56.048 -0.518 0.000 1.124 404 H CB 1.265 30.266 29.762 -1.267 0.000 1.866 404 H HN 0.267 nan 8.280 nan 0.000 0.550 405 L N 0.726 121.967 121.223 0.029 0.000 2.081 405 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 405 L C 2.470 179.005 176.870 -0.558 0.000 1.080 405 L CA 1.895 56.773 54.840 0.064 0.000 0.754 405 L CB -0.548 41.669 42.059 0.263 0.000 0.893 405 L HN 1.030 nan 8.230 nan 0.000 0.433 406 G N -1.488 106.768 108.800 -0.908 0.000 2.625 406 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 406 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 406 G C 1.411 175.969 174.900 -0.570 0.000 1.132 406 G CA 0.115 44.484 45.100 -1.219 0.000 0.782 406 G HN 0.442 nan 8.290 nan 0.000 0.538 407 Q N -0.442 119.063 119.800 -0.492 0.000 2.384 407 Q HA 0.075 4.415 4.340 -0.000 0.000 0.207 407 Q C 0.311 176.317 176.000 0.009 0.000 0.904 407 Q CA -0.429 55.237 55.803 -0.227 0.000 0.933 407 Q CB 0.421 29.003 28.738 -0.260 0.000 1.077 407 Q HN 0.286 nan 8.270 nan 0.000 0.522 408 D N 1.823 122.269 120.400 0.076 0.000 2.362 408 D HA -0.047 4.593 4.640 -0.000 0.000 0.238 408 D C -0.011 176.325 176.300 0.061 0.000 1.212 408 D CA -0.012 54.016 54.000 0.046 0.000 0.902 408 D CB 0.592 41.453 40.800 0.101 0.000 1.180 408 D HN 0.111 nan 8.370 nan 0.000 0.445 409 N N 0.950 119.713 118.700 0.105 0.000 2.294 409 N HA 0.021 4.761 4.740 -0.000 0.000 0.248 409 N C 0.755 176.317 175.510 0.086 0.000 1.300 409 N CA 0.035 53.134 53.050 0.080 0.000 0.925 409 N CB 0.253 38.794 38.487 0.090 0.000 1.188 409 N HN 0.318 nan 8.380 nan 0.000 0.512 410 R N -1.097 119.449 120.500 0.076 0.000 2.148 410 R HA 0.057 4.397 4.340 -0.000 0.000 0.227 410 R C 0.783 177.138 176.300 0.092 0.000 1.103 410 R CA 0.944 57.105 56.100 0.101 0.000 0.983 410 R CB -0.223 30.119 30.300 0.071 0.000 0.874 410 R HN 0.549 nan 8.270 nan 0.000 0.451 411 N N -0.413 118.325 118.700 0.063 0.000 2.467 411 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 411 N C 0.575 176.114 175.510 0.049 0.000 1.106 411 N CA 1.075 54.153 53.050 0.047 0.000 0.892 411 N CB 0.816 39.318 38.487 0.026 0.000 0.969 411 N HN 0.355 nan 8.380 nan 0.000 0.454 412 G N 1.207 110.045 108.800 0.064 0.000 2.198 412 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.257 412 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.257 412 G C 0.430 175.316 174.900 -0.023 0.000 1.042 412 G CA 0.384 45.518 45.100 0.058 0.000 0.791 412 G HN 0.225 nan 8.290 nan 0.000 0.502 413 D N -0.157 120.208 120.400 -0.060 0.000 2.178 413 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 413 D C 2.729 178.885 176.300 -0.239 0.000 0.974 413 D CA 0.887 54.815 54.000 -0.120 0.000 0.841 413 D CB 0.005 40.757 40.800 -0.082 0.000 0.953 413 D HN 0.550 nan 8.370 nan 0.000 0.478 414 L N 0.104 121.094 121.223 -0.389 0.000 2.056 414 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 414 L C 2.378 179.080 176.870 -0.279 0.000 1.078 414 L CA 0.439 54.964 54.840 -0.525 0.000 0.749 414 L CB -0.360 40.971 42.059 -1.214 0.000 0.901 414 L HN 0.081 nan 8.230 nan 0.000 0.433 415 L N 0.526 121.640 121.223 -0.181 0.000 2.046 415 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 415 L C 2.616 179.438 176.870 -0.080 0.000 1.077 415 L CA 1.974 56.785 54.840 -0.048 0.000 0.747 415 L CB -0.723 41.395 42.059 0.098 0.000 0.896 415 L HN 0.127 nan 8.230 nan 0.000 0.432 416 A N -0.412 122.342 122.820 -0.110 0.000 1.933 416 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 416 A C 2.452 179.854 177.584 -0.304 0.000 1.175 416 A CA 1.801 53.750 52.037 -0.146 0.000 0.628 416 A CB -1.119 17.814 19.000 -0.112 0.000 0.814 416 A HN 0.604 nan 8.150 nan 0.000 0.444 417 A N -0.152 122.432 122.820 -0.393 0.000 1.873 417 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 417 A C 2.162 179.103 177.584 -1.073 0.000 1.186 417 A CA 1.422 52.985 52.037 -0.790 0.000 0.616 417 A CB -0.665 18.003 19.000 -0.553 0.000 0.823 417 A HN 0.459 nan 8.150 nan 0.000 0.442 418 L N -0.446 120.447 121.223 -0.550 0.000 2.013 418 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 418 L C 2.470 179.075 176.870 -0.442 0.000 1.073 418 L CA 2.049 56.598 54.840 -0.484 0.000 0.753 418 L CB -0.666 41.269 42.059 -0.207 0.000 0.890 418 L HN 0.533 nan 8.230 nan 0.000 0.432 419 D N -0.179 120.091 120.400 -0.216 0.000 2.117 419 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 419 D C 2.309 178.529 176.300 -0.133 0.000 0.987 419 D CA 1.262 55.226 54.000 -0.060 0.000 0.829 419 D CB 0.022 40.816 40.800 -0.011 0.000 0.961 419 D HN 0.074 nan 8.370 nan 0.000 0.460 420 R N -1.179 119.124 120.500 -0.329 0.000 2.083 420 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 420 R C 1.955 178.080 176.300 -0.292 0.000 1.137 420 R CA 1.453 57.357 56.100 -0.326 0.000 0.951 420 R CB -0.430 29.570 30.300 -0.501 0.000 0.851 420 R HN 0.287 nan 8.270 nan 0.000 0.434 421 Y N -0.624 119.379 120.300 -0.496 0.000 2.352 421 Y HA -0.108 4.442 4.550 -0.000 0.000 0.292 421 Y C 1.862 177.705 175.900 -0.096 0.000 1.136 421 Y CA 0.551 58.344 58.100 -0.511 0.000 1.227 421 Y CB -0.387 37.723 38.460 -0.584 0.000 0.991 421 Y HN 0.061 nan 8.280 nan 0.000 0.545 422 F N -0.700 119.335 119.950 0.142 0.000 2.374 422 F HA 0.054 4.581 4.527 -0.000 0.000 0.291 422 F C 1.354 177.224 175.800 0.117 0.000 1.084 422 F CA 0.676 58.756 58.000 0.133 0.000 1.413 422 F CB -0.624 38.432 39.000 0.093 0.000 1.099 422 F HN 0.034 nan 8.300 nan 0.000 0.534 423 N N -1.117 117.737 118.700 0.256 0.000 2.168 423 N HA 0.287 5.027 4.740 -0.000 0.000 0.216 423 N C 0.203 175.797 175.510 0.139 0.000 1.259 423 N CA 0.053 53.212 53.050 0.183 0.000 0.902 423 N CB 0.564 39.141 38.487 0.150 0.000 1.079 423 N HN -0.013 nan 8.380 nan 0.000 0.507 424 A N 0.899 123.798 122.820 0.132 0.000 2.454 424 A HA 0.536 4.856 4.320 -0.000 0.000 0.260 424 A C 1.317 178.993 177.584 0.154 0.000 1.106 424 A CA -0.047 52.064 52.037 0.124 0.000 0.780 424 A CB 0.228 19.297 19.000 0.115 0.000 1.044 424 A HN 0.325 nan 8.150 nan 0.000 0.498 425 A N 2.235 125.121 122.820 0.110 0.000 2.119 425 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 425 A C 1.098 178.738 177.584 0.094 0.000 1.153 425 A CA 1.543 53.637 52.037 0.095 0.000 0.692 425 A CB -0.247 18.795 19.000 0.070 0.000 0.799 425 A HN 0.832 nan 8.150 nan 0.000 0.458 426 D N -2.890 117.576 120.400 0.109 0.000 2.402 426 D HA 0.121 4.761 4.640 -0.000 0.000 0.216 426 D C -0.112 176.274 176.300 0.144 0.000 1.128 426 D CA -0.411 53.646 54.000 0.096 0.000 0.833 426 D CB -0.550 40.295 40.800 0.076 0.000 0.971 426 D HN 0.362 nan 8.370 nan 0.000 0.503 427 Y N 1.391 121.721 120.300 0.051 0.000 2.330 427 Y HA 0.458 5.008 4.550 -0.000 0.000 0.336 427 Y C -1.264 174.666 175.900 0.049 0.000 1.036 427 Y CA -1.276 56.860 58.100 0.061 0.000 1.125 427 Y CB 1.441 39.964 38.460 0.105 0.000 1.194 427 Y HN -0.205 nan 8.280 nan 0.000 0.469 428 D N 4.616 124.634 120.400 -0.637 0.000 2.476 428 D HA 0.157 4.797 4.640 -0.000 0.000 0.251 428 D C -0.944 174.978 176.300 -0.631 0.000 1.291 428 D CA -0.586 53.137 54.000 -0.462 0.000 0.939 428 D CB 0.848 41.520 40.800 -0.212 0.000 1.221 428 D HN 0.695 nan 8.370 nan 0.000 0.567 429 D N 1.285 121.368 120.400 -0.528 0.000 2.463 429 D HA -0.002 4.638 4.640 -0.000 0.000 0.224 429 D C 1.227 177.432 176.300 -0.158 0.000 1.174 429 D CA -0.078 53.702 54.000 -0.368 0.000 0.829 429 D CB 0.044 40.700 40.800 -0.241 0.000 0.993 429 D HN 0.173 nan 8.370 nan 0.000 0.497 430 S N 0.256 115.878 115.700 -0.131 0.000 2.400 430 S HA -0.259 4.211 4.470 -0.000 0.000 0.232 430 S C 1.617 176.191 174.600 -0.042 0.000 1.025 430 S CA 0.860 59.025 58.200 -0.059 0.000 0.993 430 S CB -0.500 62.672 63.200 -0.048 0.000 0.808 430 S HN 0.357 nan 8.310 nan 0.000 0.478 431 Q N 0.150 119.913 119.800 -0.062 0.000 2.319 431 Q HA 0.368 4.708 4.340 -0.000 0.000 0.202 431 Q C -0.428 175.561 176.000 -0.019 0.000 0.896 431 Q CA -0.386 55.397 55.803 -0.033 0.000 0.942 431 Q CB 0.072 28.788 28.738 -0.037 0.000 1.083 431 Q HN 0.434 nan 8.270 nan 0.000 0.510 432 L N 2.709 123.907 121.223 -0.041 0.000 2.500 432 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 432 L C -0.337 176.592 176.870 0.098 0.000 1.149 432 L CA 0.283 55.111 54.840 -0.021 0.000 0.897 432 L CB 0.317 42.296 42.059 -0.133 0.000 1.178 432 L HN -0.041 nan 8.230 nan 0.000 0.473 433 D N 4.836 125.338 120.400 0.170 0.000 2.338 433 D HA 0.053 4.693 4.640 -0.000 0.000 0.255 433 D C 0.881 177.372 176.300 0.319 0.000 1.237 433 D CA -0.091 54.027 54.000 0.196 0.000 0.883 433 D CB 0.781 41.678 40.800 0.161 0.000 1.087 433 D HN 0.480 nan 8.370 nan 0.000 0.485 434 M N 2.816 122.575 119.600 0.265 0.000 2.659 434 M HA 0.206 4.686 4.480 -0.000 0.000 0.243 434 M C 1.221 177.621 176.300 0.166 0.000 1.111 434 M CA 0.559 56.062 55.300 0.338 0.000 1.070 434 M CB -1.314 31.484 32.600 0.330 0.000 1.525 434 M HN 0.660 nan 8.290 nan 0.000 0.517 435 G N 0.853 109.704 108.800 0.084 0.000 2.725 435 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 435 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 435 G C 0.226 175.081 174.900 -0.074 0.000 1.357 435 G CA 0.116 45.227 45.100 0.018 0.000 0.866 435 G HN 0.389 nan 8.290 nan 0.000 0.548 436 T N -1.645 112.869 114.554 -0.066 0.000 3.132 436 T HA 0.602 4.952 4.350 -0.000 0.000 0.274 436 T C 1.336 175.979 174.700 -0.095 0.000 1.011 436 T CA 1.140 63.188 62.100 -0.086 0.000 0.899 436 T CB 0.391 69.236 68.868 -0.038 0.000 1.089 436 T HN 2.012 nan 8.240 nan 0.000 0.543 437 G N 1.687 110.427 108.800 -0.099 0.000 2.732 437 G HA2 0.456 4.416 3.960 -0.000 0.000 0.244 437 G HA3 0.456 4.416 3.960 -0.000 0.000 0.244 437 G C -0.127 174.734 174.900 -0.066 0.000 1.226 437 G CA -0.756 44.325 45.100 -0.032 0.000 0.860 437 G HN 0.577 nan 8.290 nan 0.000 0.583 438 L N 0.599 121.842 121.223 0.033 0.000 2.360 438 L HA 0.315 4.655 4.340 -0.000 0.000 0.276 438 L C 0.712 177.659 176.870 0.128 0.000 1.121 438 L CA -0.588 54.279 54.840 0.045 0.000 0.845 438 L CB 0.556 42.653 42.059 0.062 0.000 1.143 438 L HN 0.333 nan 8.230 nan 0.000 0.452 439 R N 1.715 122.263 120.500 0.081 0.000 2.500 439 R HA 0.243 4.583 4.340 -0.000 0.000 0.277 439 R C -0.829 175.612 176.300 0.235 0.000 1.026 439 R CA -0.577 55.645 56.100 0.203 0.000 1.058 439 R CB 0.490 30.844 30.300 0.089 0.000 1.078 439 R HN 0.332 nan 8.270 nan 0.000 0.509 440 Y N 1.203 121.624 120.300 0.201 0.000 2.480 440 Y HA 0.058 4.608 4.550 -0.000 0.000 0.341 440 Y C 0.807 176.768 175.900 0.101 0.000 1.031 440 Y CA 0.414 58.607 58.100 0.154 0.000 1.295 440 Y CB 0.724 39.288 38.460 0.174 0.000 1.162 440 Y HN 0.720 nan 8.280 nan 0.000 0.523 441 T N 1.704 116.087 114.554 -0.284 0.000 3.134 441 T HA 0.308 4.658 4.350 -0.000 0.000 0.260 441 T C 0.861 175.414 174.700 -0.245 0.000 1.027 441 T CA -0.013 61.986 62.100 -0.169 0.000 0.913 441 T CB -0.362 68.427 68.868 -0.131 0.000 1.046 441 T HN 0.785 nan 8.240 nan 0.000 0.553 442 G N 1.066 109.593 108.800 -0.455 0.000 2.559 442 G HA2 0.442 4.402 3.960 -0.000 0.000 0.235 442 G HA3 0.442 4.402 3.960 -0.000 0.000 0.235 442 G C -0.663 174.196 174.900 -0.070 0.000 1.266 442 G CA -0.223 44.730 45.100 -0.244 0.000 0.847 442 G HN 0.415 nan 8.290 nan 0.000 0.583 443 V N 1.287 121.125 119.914 -0.125 0.000 2.588 443 V HA 0.815 4.935 4.120 -0.000 0.000 0.304 443 V C 0.694 176.694 176.094 -0.157 0.000 1.042 443 V CA 0.023 62.262 62.300 -0.102 0.000 0.877 443 V CB 1.481 33.238 31.823 -0.110 0.000 0.996 443 V HN 1.154 nan 8.190 nan 0.000 0.425 444 G N 3.757 112.485 108.800 -0.121 0.000 2.730 444 G HA2 0.649 4.609 3.960 -0.000 0.000 0.289 444 G HA3 0.649 4.609 3.960 -0.000 0.000 0.289 444 G C -2.535 172.268 174.900 -0.162 0.000 1.341 444 G CA -1.392 43.625 45.100 -0.138 0.000 0.932 444 G HN 0.470 nan 8.290 nan 0.000 0.481 445 P HA 0.035 nan 4.420 nan 0.000 0.222 445 P C 1.656 178.924 177.300 -0.053 0.000 1.147 445 P CA 1.289 64.282 63.100 -0.178 0.000 0.790 445 P CB 0.307 31.893 31.700 -0.191 0.000 0.780 446 G N -0.320 108.481 108.800 0.002 0.000 2.880 446 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.209 446 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.209 446 G C 0.615 175.532 174.900 0.029 0.000 1.157 446 G CA 0.079 45.197 45.100 0.031 0.000 0.779 446 G HN 0.509 nan 8.290 nan 0.000 0.539 447 N N -1.009 117.699 118.700 0.013 0.000 2.598 447 N HA 0.285 5.025 4.740 -0.000 0.000 0.295 447 N C -0.245 175.256 175.510 -0.015 0.000 1.729 447 N CA -0.526 52.532 53.050 0.014 0.000 0.877 447 N CB 0.123 38.636 38.487 0.043 0.000 1.405 447 N HN -0.029 nan 8.380 nan 0.000 0.491 448 L N 1.143 122.345 121.223 -0.035 0.000 2.461 448 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 448 L C -1.583 175.263 176.870 -0.040 0.000 1.197 448 L CA -1.571 53.236 54.840 -0.055 0.000 0.836 448 L CB 0.149 42.167 42.059 -0.069 0.000 1.105 448 L HN 0.213 nan 8.230 nan 0.000 0.477 449 P HA 0.197 nan 4.420 nan 0.000 0.274 449 P C -0.525 176.753 177.300 -0.037 0.000 1.231 449 P CA -0.321 62.760 63.100 -0.032 0.000 0.790 449 P CB 0.746 32.427 31.700 -0.030 0.000 0.951 450 I N 2.237 122.788 120.570 -0.032 0.000 2.588 450 I HA 0.155 4.325 4.170 -0.000 0.000 0.283 450 I C 0.954 177.053 176.117 -0.030 0.000 1.119 450 I CA 0.597 61.875 61.300 -0.037 0.000 1.419 450 I CB -0.079 37.901 38.000 -0.032 0.000 1.394 450 I HN 0.185 nan 8.210 nan 0.000 0.562 451 M N 4.466 124.048 119.600 -0.031 0.000 2.664 451 M HA 0.487 4.967 4.480 -0.000 0.000 0.279 451 M C -0.691 175.602 176.300 -0.011 0.000 1.275 451 M CA -0.722 54.568 55.300 -0.017 0.000 0.829 451 M CB 2.694 35.285 32.600 -0.014 0.000 1.727 451 M HN 0.581 nan 8.290 nan 0.000 0.459 452 T N -0.894 113.663 114.554 0.004 0.000 2.907 452 T HA 0.983 5.333 4.350 -0.000 0.000 0.292 452 T C -1.002 173.718 174.700 0.034 0.000 1.043 452 T CA -0.805 61.304 62.100 0.015 0.000 1.003 452 T CB 2.197 71.073 68.868 0.012 0.000 1.084 452 T HN 1.004 nan 8.240 nan 0.000 0.483 453 A N 1.924 124.773 122.820 0.048 0.000 2.599 453 A HA 0.778 5.098 4.320 -0.000 0.000 0.294 453 A C -3.275 174.354 177.584 0.075 0.000 1.055 453 A CA -1.489 50.590 52.037 0.069 0.000 0.683 453 A CB 0.409 19.464 19.000 0.091 0.000 1.278 453 A HN 0.678 nan 8.150 nan 0.000 0.412 454 P HA 0.402 nan 4.420 nan 0.000 0.268 454 P C 0.127 177.488 177.300 0.101 0.000 1.205 454 P CA 0.342 63.493 63.100 0.085 0.000 0.771 454 P CB 0.699 32.457 31.700 0.096 0.000 0.858 455 A N 3.447 126.322 122.820 0.091 0.000 2.567 455 A HA -0.008 4.312 4.320 -0.000 0.000 0.240 455 A C -0.118 177.534 177.584 0.114 0.000 1.053 455 A CA 0.028 52.133 52.037 0.113 0.000 0.755 455 A CB -0.818 18.239 19.000 0.095 0.000 0.978 455 A HN 0.586 nan 8.150 nan 0.000 0.507 456 Y N 2.793 123.072 120.300 -0.034 0.000 2.712 456 Y HA 0.281 4.831 4.550 -0.000 0.000 0.333 456 Y C -0.107 175.783 175.900 -0.016 0.000 1.225 456 Y CA 0.560 58.577 58.100 -0.139 0.000 1.499 456 Y CB 0.433 38.572 38.460 -0.534 0.000 1.288 456 Y HN 0.402 nan 8.280 nan 0.000 0.575 457 V N 9.446 128.948 119.914 -0.686 0.000 2.334 457 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 457 V C -2.147 173.447 176.094 -0.833 0.000 1.016 457 V CA -2.078 59.891 62.300 -0.552 0.000 0.832 457 V CB 1.045 32.727 31.823 -0.236 0.000 0.999 457 V HN 0.723 nan 8.190 nan 0.000 0.439 458 P HA 0.278 nan 4.420 nan 0.000 0.268 458 P C 1.022 178.230 177.300 -0.153 0.000 1.205 458 P CA 1.072 64.011 63.100 -0.268 0.000 0.771 458 P CB 0.887 32.581 31.700 -0.010 0.000 0.858 459 G N 1.221 109.982 108.800 -0.065 0.000 2.234 459 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 459 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 459 G C 0.254 175.111 174.900 -0.072 0.000 0.997 459 G CA 0.030 45.103 45.100 -0.045 0.000 0.623 459 G HN 0.631 nan 8.290 nan 0.000 0.514 460 T N 2.024 116.496 114.554 -0.137 0.000 2.909 460 T HA 0.563 4.913 4.350 -0.000 0.000 0.289 460 T C 0.193 174.786 174.700 -0.178 0.000 1.005 460 T CA 0.608 62.565 62.100 -0.239 0.000 1.084 460 T CB 1.590 70.199 68.868 -0.432 0.000 0.975 460 T HN 0.209 nan 8.240 nan 0.000 0.509 461 T N 3.065 117.476 114.554 -0.238 0.000 2.794 461 T HA 0.487 4.837 4.350 -0.000 0.000 0.280 461 T C -0.990 173.562 174.700 -0.246 0.000 0.987 461 T CA -0.337 61.709 62.100 -0.091 0.000 0.993 461 T CB 0.225 69.102 68.868 0.015 0.000 0.939 461 T HN 0.403 nan 8.240 nan 0.000 0.449 462 Y N 1.044 121.360 120.300 0.025 0.000 2.429 462 Y HA 0.624 5.174 4.550 -0.000 0.000 0.342 462 Y C 0.551 176.347 175.900 -0.174 0.000 1.004 462 Y CA -1.140 56.938 58.100 -0.037 0.000 1.075 462 Y CB 1.326 39.797 38.460 0.019 0.000 1.214 462 Y HN 0.789 nan 8.280 nan 0.000 0.455 463 A N 2.107 124.909 122.820 -0.029 0.000 2.272 463 A HA 0.284 4.604 4.320 -0.000 0.000 0.275 463 A C -0.223 177.266 177.584 -0.158 0.000 1.096 463 A CA -0.720 51.218 52.037 -0.165 0.000 0.822 463 A CB 0.383 19.301 19.000 -0.137 0.000 1.088 463 A HN 0.795 nan 8.150 nan 0.000 0.495 464 Q N -0.550 119.148 119.800 -0.171 0.000 2.300 464 Q HA 0.372 4.712 4.340 -0.000 0.000 0.280 464 Q C 1.029 176.971 176.000 -0.096 0.000 1.033 464 Q CA 1.182 56.900 55.803 -0.141 0.000 0.903 464 Q CB 0.166 28.859 28.738 -0.074 0.000 1.195 464 Q HN 1.772 nan 8.270 nan 0.000 0.386 465 G N 2.146 110.884 108.800 -0.104 0.000 2.175 465 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 465 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 465 G C 0.161 175.059 174.900 -0.004 0.000 0.982 465 G CA -0.043 45.032 45.100 -0.042 0.000 0.641 465 G HN 1.019 nan 8.290 nan 0.000 0.527 466 A N 0.092 122.904 122.820 -0.012 0.000 2.498 466 A HA 0.625 4.945 4.320 -0.000 0.000 0.239 466 A C 0.371 178.050 177.584 0.159 0.000 1.068 466 A CA 0.475 52.569 52.037 0.096 0.000 0.766 466 A CB 0.255 19.375 19.000 0.201 0.000 1.003 466 A HN 0.974 nan 8.150 nan 0.000 0.497 467 L N 2.990 124.326 121.223 0.190 0.000 2.313 467 L HA 0.632 4.972 4.340 -0.000 0.000 0.283 467 L C -0.142 176.844 176.870 0.193 0.000 1.013 467 L CA -0.697 54.264 54.840 0.202 0.000 0.816 467 L CB 1.679 43.816 42.059 0.130 0.000 1.236 467 L HN 0.669 nan 8.230 nan 0.000 0.419 468 V N -0.205 119.814 119.914 0.174 0.000 3.078 468 V HA 0.811 4.931 4.120 -0.000 0.000 0.311 468 V C -0.191 175.991 176.094 0.146 0.000 1.138 468 V CA -0.710 61.635 62.300 0.075 0.000 1.007 468 V CB 2.006 33.732 31.823 -0.162 0.000 1.045 468 V HN 0.739 nan 8.190 nan 0.000 0.432 469 S N 2.044 117.835 115.700 0.151 0.000 2.525 469 S HA 0.844 5.313 4.470 -0.000 0.000 0.290 469 S C -1.089 173.686 174.600 0.291 0.000 1.152 469 S CA -0.477 57.855 58.200 0.220 0.000 1.072 469 S CB 1.240 64.520 63.200 0.134 0.000 1.027 469 S HN 1.532 nan 8.310 nan 0.000 0.500 470 Y N 1.098 121.531 120.300 0.222 0.000 2.424 470 Y HA 0.260 4.810 4.550 -0.000 0.000 0.323 470 Y C -0.338 175.745 175.900 0.306 0.000 1.174 470 Y CA -0.719 57.436 58.100 0.092 0.000 1.060 470 Y CB 1.238 39.481 38.460 -0.361 0.000 1.314 470 Y HN 0.981 nan 8.280 nan 0.000 0.439 471 Q N 3.663 123.323 119.800 -0.233 0.000 2.457 471 Q HA -0.248 4.092 4.340 -0.000 0.000 0.283 471 Q C 1.056 177.097 176.000 0.068 0.000 1.234 471 Q CA 1.423 57.155 55.803 -0.119 0.000 0.877 471 Q CB -1.584 27.090 28.738 -0.108 0.000 1.250 471 Q HN 1.551 nan 8.270 nan 0.000 0.481 472 G N -1.961 106.821 108.800 -0.031 0.000 2.162 472 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 472 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 472 G C -0.290 174.330 174.900 -0.466 0.000 0.976 472 G CA 0.691 45.648 45.100 -0.237 0.000 0.655 472 G HN 0.432 nan 8.290 nan 0.000 0.533 473 Y N -1.521 118.775 120.300 -0.007 0.000 2.598 473 Y HA 0.653 5.203 4.550 -0.000 0.000 0.340 473 Y C 0.424 176.223 175.900 -0.168 0.000 1.038 473 Y CA -1.292 56.686 58.100 -0.205 0.000 1.100 473 Y CB 1.982 40.113 38.460 -0.548 0.000 1.281 473 Y HN 0.060 nan 8.280 nan 0.000 0.488 474 V N 1.318 121.166 119.914 -0.110 0.000 2.427 474 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 474 V C -1.181 174.804 176.094 -0.182 0.000 1.034 474 V CA -0.849 61.431 62.300 -0.033 0.000 0.893 474 V CB 0.494 32.313 31.823 -0.007 0.000 0.982 474 V HN 0.651 nan 8.190 nan 0.000 0.452 475 W N 2.687 123.997 121.300 0.016 0.000 2.844 475 W HA 0.725 5.385 4.660 -0.000 0.000 0.340 475 W C -0.192 176.457 176.519 0.216 0.000 1.093 475 W CA -0.570 56.813 57.345 0.064 0.000 1.212 475 W CB 1.554 30.963 29.460 -0.085 0.000 1.422 475 W HN 0.423 nan 8.180 nan 0.000 0.515 476 Q N 1.240 121.310 119.800 0.450 0.000 2.356 476 Q HA 0.494 4.834 4.340 -0.000 0.000 0.270 476 Q C -0.196 175.828 176.000 0.040 0.000 1.058 476 Q CA -0.600 55.354 55.803 0.251 0.000 0.802 476 Q CB 1.955 30.751 28.738 0.096 0.000 1.303 476 Q HN 0.535 nan 8.270 nan 0.000 0.444 477 T N 0.443 114.817 114.554 -0.299 0.000 2.907 477 T HA 0.277 4.627 4.350 -0.000 0.000 0.298 477 T C 0.465 174.935 174.700 -0.383 0.000 1.017 477 T CA -0.427 61.285 62.100 -0.646 0.000 1.118 477 T CB 1.113 69.463 68.868 -0.863 0.000 0.948 477 T HN 0.692 nan 8.240 nan 0.000 0.531 478 K N 1.210 121.317 120.400 -0.488 0.000 2.356 478 K HA 0.236 4.556 4.320 -0.000 0.000 0.195 478 K C -0.099 176.525 176.600 0.040 0.000 1.037 478 K CA 0.003 56.173 56.287 -0.195 0.000 1.014 478 K CB 0.243 32.661 32.500 -0.137 0.000 0.815 478 K HN 0.848 nan 8.250 nan 0.000 0.507 479 W N -1.488 119.728 121.300 -0.139 0.000 2.874 479 W HA 0.609 5.269 4.660 0.000 0.000 0.403 479 W C -0.589 175.830 176.519 -0.167 0.000 1.144 479 W CA -1.392 55.882 57.345 -0.119 0.000 1.175 479 W CB -0.067 29.347 29.460 -0.078 0.000 1.483 479 W HN -0.177 nan 8.180 nan 0.000 0.591 480 G N -0.914 107.983 108.800 0.162 0.000 2.521 480 G HA2 0.508 4.468 3.960 -0.000 0.000 0.323 480 G HA3 0.508 4.468 3.960 -0.000 0.000 0.323 480 G C -1.372 173.533 174.900 0.008 0.000 1.211 480 G CA -0.755 44.274 45.100 -0.118 0.000 0.979 480 G HN 1.035 nan 8.290 nan 0.000 0.490 481 Y N -2.208 118.124 120.300 0.053 0.000 3.234 481 Y HA -0.159 4.391 4.550 -0.000 0.000 0.207 481 Y C 0.511 176.443 175.900 0.053 0.000 1.316 481 Y CA -0.474 57.658 58.100 0.054 0.000 1.309 481 Y CB -1.998 36.502 38.460 0.067 0.000 1.408 481 Y HN 0.243 nan 8.280 nan 0.000 0.544 482 I N 1.002 121.607 120.570 0.059 0.000 2.396 482 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 482 I C 1.384 177.609 176.117 0.181 0.000 1.056 482 I CA 0.564 61.869 61.300 0.008 0.000 1.365 482 I CB 0.988 38.781 38.000 -0.347 0.000 1.407 482 I HN 0.429 nan 8.210 nan 0.000 0.509 483 T N 0.477 115.140 114.554 0.183 0.000 3.084 483 T HA 0.316 4.666 4.350 -0.000 0.000 0.270 483 T C 0.652 175.489 174.700 0.228 0.000 1.008 483 T CA -0.270 61.956 62.100 0.209 0.000 0.900 483 T CB 0.292 69.246 68.868 0.143 0.000 1.084 483 T HN 0.419 nan 8.240 nan 0.000 0.538 484 S N 0.707 116.548 115.700 0.235 0.000 2.851 484 S HA 0.892 5.362 4.470 -0.000 0.000 0.317 484 S C -0.450 174.231 174.600 0.136 0.000 1.144 484 S CA -0.843 57.466 58.200 0.182 0.000 0.862 484 S CB 1.299 64.555 63.200 0.093 0.000 1.259 484 S HN 0.607 nan 8.310 nan 0.000 0.564 485 A N 1.083 123.775 122.820 -0.212 0.000 2.294 485 A HA 0.812 5.132 4.320 -0.000 0.000 0.330 485 A C -2.933 174.009 177.584 -1.069 0.000 1.133 485 A CA -2.162 49.274 52.037 -1.002 0.000 0.836 485 A CB -0.240 18.135 19.000 -1.042 0.000 1.190 485 A HN 0.447 nan 8.150 nan 0.000 0.492 486 P HA 0.268 nan 4.420 nan 0.000 0.265 486 P C 0.988 177.637 177.300 -1.085 0.000 1.193 486 P CA 2.079 64.061 63.100 -1.863 0.000 0.765 486 P CB 0.693 30.683 31.700 -2.851 0.000 0.823 487 G N 2.102 110.464 108.800 -0.730 0.000 2.258 487 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.233 487 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.233 487 G C 0.903 175.719 174.900 -0.140 0.000 1.006 487 G CA 0.434 45.358 45.100 -0.292 0.000 0.620 487 G HN 0.498 nan 8.290 nan 0.000 0.511 488 S N -0.131 115.461 115.700 -0.180 0.000 2.733 488 S HA 0.355 4.825 4.470 -0.000 0.000 0.247 488 S C -0.541 174.041 174.600 -0.030 0.000 1.043 488 S CA 0.381 58.531 58.200 -0.082 0.000 1.066 488 S CB 1.041 64.189 63.200 -0.086 0.000 1.045 488 S HN 0.586 nan 8.310 nan 0.000 0.586 489 D N 1.172 121.570 120.400 -0.003 0.000 2.736 489 D HA 0.198 4.838 4.640 -0.000 0.000 0.243 489 D C 0.634 176.976 176.300 0.070 0.000 1.304 489 D CA -0.171 53.871 54.000 0.070 0.000 0.934 489 D CB 1.792 42.660 40.800 0.114 0.000 1.382 489 D HN 0.042 nan 8.370 nan 0.000 0.571 490 S N 2.006 117.748 115.700 0.071 0.000 2.595 490 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 490 S C 1.707 176.241 174.600 -0.109 0.000 0.974 490 S CA 0.657 58.901 58.200 0.075 0.000 0.942 490 S CB -0.023 63.279 63.200 0.170 0.000 0.766 490 S HN 0.437 nan 8.310 nan 0.000 0.536 491 A N 0.160 122.741 122.820 -0.398 0.000 2.168 491 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 491 A C 0.378 177.481 177.584 -0.803 0.000 1.152 491 A CA -0.060 51.276 52.037 -1.168 0.000 0.716 491 A CB -0.522 17.607 19.000 -1.452 0.000 0.794 491 A HN 0.712 nan 8.150 nan 0.000 0.465 492 W N -0.786 120.320 121.300 -0.324 0.000 2.390 492 W HA 0.546 5.205 4.660 -0.000 0.000 0.312 492 W C -0.352 176.192 176.519 0.042 0.000 1.123 492 W CA -0.731 56.520 57.345 -0.157 0.000 1.202 492 W CB 1.037 30.361 29.460 -0.227 0.000 1.251 492 W HN 0.106 nan 8.180 nan 0.000 0.511 493 L N 4.530 125.934 121.223 0.302 0.000 2.296 493 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 493 L C 0.114 177.073 176.870 0.148 0.000 1.023 493 L CA -0.937 54.015 54.840 0.188 0.000 0.812 493 L CB 0.915 43.005 42.059 0.053 0.000 1.223 493 L HN 0.302 nan 8.230 nan 0.000 0.421 494 K N 3.764 124.074 120.400 -0.151 0.000 2.402 494 K HA 0.211 4.531 4.320 -0.000 0.000 0.285 494 K C 0.493 176.870 176.600 -0.372 0.000 1.054 494 K CA 0.411 56.293 56.287 -0.675 0.000 1.001 494 K CB 0.464 32.322 32.500 -1.071 0.000 0.946 494 K HN 0.677 nan 8.250 nan 0.000 0.473 495 V N 0.697 120.442 119.914 -0.281 0.000 3.548 495 V HA 0.453 4.572 4.120 -0.000 0.000 0.279 495 V C 0.474 176.484 176.094 -0.141 0.000 1.446 495 V CA 0.336 62.539 62.300 -0.162 0.000 1.023 495 V CB 0.438 32.216 31.823 -0.074 0.000 0.820 495 V HN 0.709 nan 8.190 nan 0.000 0.438 496 G N -0.269 108.435 108.800 -0.159 0.000 2.645 496 G HA2 0.769 4.729 3.960 -0.000 0.000 0.292 496 G HA3 0.769 4.729 3.960 -0.000 0.000 0.292 496 G C -1.261 173.593 174.900 -0.076 0.000 1.415 496 G CA -0.299 44.744 45.100 -0.096 0.000 0.785 496 G HN 0.651 nan 8.290 nan 0.000 0.483 497 R N -0.589 119.869 120.500 -0.071 0.000 2.621 497 R HA 0.845 5.185 4.340 -0.000 0.000 0.292 497 R C -0.005 176.220 176.300 -0.125 0.000 0.969 497 R CA -0.364 55.663 56.100 -0.121 0.000 0.887 497 R CB 1.071 31.299 30.300 -0.120 0.000 1.180 497 R HN 1.017 nan 8.270 nan 0.000 0.450 498 V N 0.000 119.816 119.914 -0.163 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 498 V CB 0.000 31.767 31.823 -0.094 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556